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 2xxb_1_B DATA FIRST_RESID 22 DATA SEQUENCE MKVGIVGSGM VGSATAYALA LLGVAREVVL VDLDRKLAQA HAEDILHATP DATA SEQUENCE FAHPVWVWAX XGSYGDLEGA RAVVLAAGVA QRXPGETRLQ LLDRNAQVFA DATA SEQUENCE QVVPRVLEAA EAVLLVATNP VDVMTQVAYA LSGLPPGRVV GSGTILDTAR DATA SEQUENCE FRALLAEYLR VAPQSVHAYV LGEHGDSEVL VWSSAQVPLE FAEARGRALS DATA SEQUENCE PEDRARIDEG VRRAAYRIIE GKGATYYGIG AGLARLVRAI LTDEKGVYTV DATA SEQUENCE SAFTPEVAGV LEXVSLSLPR ILGAGGVAXG TVYPSLSPEE RAALRRSAEI DATA SEQUENCE LKEAAFALGF 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 22 M HA 0.000 nan 4.480 nan 0.000 0.227 22 M C 0.000 176.319 176.300 0.032 0.000 1.140 22 M CA 0.000 55.319 55.300 0.032 0.000 0.988 22 M CB 0.000 32.609 32.600 0.014 0.000 1.302 23 K N 2.453 122.864 120.400 0.020 0.000 2.213 23 K HA 0.749 5.070 4.320 0.001 0.000 0.270 23 K C -1.631 174.947 176.600 -0.038 0.000 1.002 23 K CA -0.473 55.813 56.287 -0.003 0.000 0.868 23 K CB 1.407 33.909 32.500 0.003 0.000 1.093 23 K HN 0.563 nan 8.250 nan 0.000 0.454 24 V N 2.938 122.814 119.914 -0.063 0.000 2.435 24 V HA 0.460 4.581 4.120 0.001 0.000 0.290 24 V C 0.514 176.526 176.094 -0.136 0.000 1.030 24 V CA -0.826 61.423 62.300 -0.084 0.000 0.881 24 V CB 1.560 33.340 31.823 -0.071 0.000 0.983 24 V HN 0.933 nan 8.190 nan 0.000 0.445 25 G N 4.152 112.869 108.800 -0.138 0.000 2.389 25 G HA2 0.754 4.715 3.960 0.001 0.000 0.328 25 G HA3 0.754 4.715 3.960 0.001 0.000 0.328 25 G C -0.918 173.878 174.900 -0.174 0.000 1.133 25 G CA -0.519 44.468 45.100 -0.188 0.000 0.891 25 G HN 0.620 nan 8.290 nan 0.000 0.485 26 I N 1.517 121.960 120.570 -0.212 0.000 2.468 26 I HA 0.238 4.409 4.170 0.001 0.000 0.285 26 I C -0.698 175.293 176.117 -0.210 0.000 1.039 26 I CA -0.850 60.342 61.300 -0.180 0.000 1.074 26 I CB 2.358 40.264 38.000 -0.158 0.000 1.228 26 I HN 0.050 nan 8.210 nan 0.000 0.436 27 V N 5.046 124.849 119.914 -0.185 0.000 2.347 27 V HA 0.781 4.902 4.120 0.001 0.000 0.280 27 V C 0.457 176.467 176.094 -0.140 0.000 1.021 27 V CA -0.391 61.787 62.300 -0.202 0.000 0.847 27 V CB 1.149 32.865 31.823 -0.179 0.000 0.990 27 V HN 1.045 nan 8.190 nan 0.000 0.444 28 G N 3.467 112.190 108.800 -0.129 0.000 2.826 28 G HA2 -0.131 3.830 3.960 0.001 0.000 0.623 28 G HA3 -0.131 3.830 3.960 0.001 0.000 0.623 28 G C -0.026 174.813 174.900 -0.102 0.000 1.127 28 G CA -0.037 45.016 45.100 -0.079 0.000 1.165 28 G HN 0.863 nan 8.290 nan 0.000 0.504 29 S N 1.057 116.694 115.700 -0.104 0.000 2.481 29 S HA 0.578 5.049 4.470 0.001 0.000 0.243 29 S C 1.531 176.047 174.600 -0.139 0.000 1.152 29 S CA 0.868 58.988 58.200 -0.132 0.000 1.168 29 S CB -0.532 62.612 63.200 -0.093 0.000 0.835 29 S HN 1.512 nan 8.310 nan 0.000 0.474 30 G N 1.578 110.298 108.800 -0.133 0.000 2.783 30 G HA2 0.248 4.209 3.960 0.001 0.000 0.182 30 G HA3 0.248 4.209 3.960 0.001 0.000 0.182 30 G C 1.111 175.839 174.900 -0.287 0.000 1.516 30 G CA -0.217 44.801 45.100 -0.136 0.000 1.079 30 G HN 0.375 nan 8.290 nan 0.000 0.573 31 M N -0.620 118.795 119.600 -0.308 0.000 2.175 31 M HA -0.006 4.475 4.480 0.001 0.000 0.264 31 M C 2.654 178.744 176.300 -0.350 0.000 1.063 31 M CA 0.715 55.685 55.300 -0.551 0.000 1.119 31 M CB -1.271 30.755 32.600 -0.957 0.000 1.377 31 M HN 0.186 nan 8.290 nan 0.000 0.415 32 V N 0.196 120.015 119.914 -0.158 0.000 2.283 32 V HA -0.117 4.004 4.120 0.001 0.000 0.243 32 V C 2.651 178.710 176.094 -0.058 0.000 1.039 32 V CA 2.054 64.337 62.300 -0.029 0.000 1.016 32 V CB -1.566 30.267 31.823 0.016 0.000 0.650 32 V HN 0.518 nan 8.190 nan 0.000 0.449 33 G N 0.191 108.928 108.800 -0.104 0.000 2.418 33 G HA2 -0.300 3.661 3.960 0.001 0.000 0.217 33 G HA3 -0.300 3.661 3.960 0.001 0.000 0.217 33 G C 1.917 176.723 174.900 -0.157 0.000 1.158 33 G CA 1.512 46.541 45.100 -0.118 0.000 0.771 33 G HN 0.627 nan 8.290 nan 0.000 0.545 34 S N 1.148 116.677 115.700 -0.285 0.000 2.383 34 S HA 0.182 4.653 4.470 0.001 0.000 0.227 34 S C 2.601 177.137 174.600 -0.108 0.000 1.026 34 S CA 1.496 59.487 58.200 -0.348 0.000 0.981 34 S CB -0.437 62.185 63.200 -0.963 0.000 0.818 34 S HN 0.594 nan 8.310 nan 0.000 0.472 35 A N 1.631 124.428 122.820 -0.038 0.000 1.930 35 A HA 0.016 4.336 4.320 0.001 0.000 0.217 35 A C 2.403 180.100 177.584 0.188 0.000 1.175 35 A CA 1.962 54.105 52.037 0.177 0.000 0.627 35 A CB -1.685 17.482 19.000 0.278 0.000 0.815 35 A HN 0.568 nan 8.150 nan 0.000 0.443 36 T N 0.539 115.145 114.554 0.087 0.000 2.607 36 T HA -0.146 4.205 4.350 0.001 0.000 0.267 36 T C 2.238 176.970 174.700 0.053 0.000 1.049 36 T CA 2.012 64.145 62.100 0.055 0.000 1.162 36 T CB -0.571 68.300 68.868 0.004 0.000 0.863 36 T HN 0.625 nan 8.240 nan 0.000 0.424 37 A N 0.283 123.123 122.820 0.034 0.000 1.940 37 A HA -0.136 4.185 4.320 0.001 0.000 0.219 37 A C 2.123 179.787 177.584 0.133 0.000 1.176 37 A CA 1.677 53.740 52.037 0.044 0.000 0.631 37 A CB -0.981 18.021 19.000 0.003 0.000 0.814 37 A HN 0.597 nan 8.150 nan 0.000 0.446 38 Y N 0.355 120.677 120.300 0.036 0.000 2.242 38 Y HA 0.028 4.579 4.550 0.002 0.000 0.291 38 Y C 2.579 178.527 175.900 0.080 0.000 1.137 38 Y CA 0.774 58.920 58.100 0.078 0.000 1.181 38 Y CB -0.496 38.030 38.460 0.110 0.000 0.989 38 Y HN 0.303 nan 8.280 nan 0.000 0.527 39 A N -0.278 122.601 122.820 0.098 0.000 1.898 39 A HA -0.040 4.281 4.320 0.001 0.000 0.214 39 A C 2.269 179.838 177.584 -0.025 0.000 1.183 39 A CA 1.174 53.211 52.037 -0.001 0.000 0.622 39 A CB -0.968 18.070 19.000 0.063 0.000 0.824 39 A HN 0.468 nan 8.150 nan 0.000 0.444 40 L N -0.391 120.832 121.223 0.001 0.000 1.990 40 L HA -0.265 4.075 4.340 0.001 0.000 0.213 40 L C 3.127 179.988 176.870 -0.016 0.000 1.072 40 L CA 1.400 56.231 54.840 -0.015 0.000 0.755 40 L CB -0.619 41.435 42.059 -0.010 0.000 0.889 40 L HN 0.436 nan 8.230 nan 0.000 0.432 41 A N -0.241 122.585 122.820 0.009 0.000 1.865 41 A HA -0.206 4.115 4.320 0.001 0.000 0.217 41 A C 2.138 179.739 177.584 0.029 0.000 1.191 41 A CA 1.715 53.774 52.037 0.037 0.000 0.623 41 A CB -0.788 18.262 19.000 0.084 0.000 0.826 41 A HN 0.279 nan 8.150 nan 0.000 0.444 42 L N -0.671 120.505 121.223 -0.077 0.000 2.191 42 L HA -0.060 4.280 4.340 0.001 0.000 0.212 42 L C 2.147 179.072 176.870 0.092 0.000 1.103 42 L CA 1.273 56.084 54.840 -0.049 0.000 0.769 42 L CB -0.398 41.501 42.059 -0.267 0.000 0.908 42 L HN 0.363 nan 8.230 nan 0.000 0.438 43 L N -1.342 119.882 121.223 0.002 0.000 2.567 43 L HA 0.242 4.583 4.340 0.001 0.000 0.225 43 L C 1.296 178.012 176.870 -0.257 0.000 1.119 43 L CA 0.451 55.269 54.840 -0.038 0.000 0.871 43 L CB -0.431 41.600 42.059 -0.045 0.000 1.036 43 L HN 0.399 nan 8.230 nan 0.000 0.459 44 G N 0.276 108.898 108.800 -0.297 0.000 2.246 44 G HA2 -0.237 3.724 3.960 0.001 0.000 0.273 44 G HA3 -0.237 3.724 3.960 0.001 0.000 0.273 44 G C 0.645 175.381 174.900 -0.273 0.000 1.055 44 G CA 0.357 45.151 45.100 -0.510 0.000 0.851 44 G HN 0.127 nan 8.290 nan 0.000 0.500 45 V N -0.728 119.100 119.914 -0.143 0.000 2.379 45 V HA 0.363 4.484 4.120 0.001 0.000 0.245 45 V C 1.849 177.907 176.094 -0.059 0.000 1.044 45 V CA 2.481 64.727 62.300 -0.090 0.000 1.036 45 V CB -0.377 31.408 31.823 -0.062 0.000 0.664 45 V HN 1.463 nan 8.190 nan 0.000 0.453 46 A N -0.543 122.255 122.820 -0.037 0.000 2.430 46 A HA 0.621 4.942 4.320 0.001 0.000 0.300 46 A C 1.053 178.653 177.584 0.027 0.000 1.124 46 A CA -0.412 51.621 52.037 -0.007 0.000 0.766 46 A CB 1.281 20.276 19.000 -0.008 0.000 1.328 46 A HN 0.139 nan 8.150 nan 0.000 0.424 47 R N 0.072 120.605 120.500 0.056 0.000 2.161 47 R HA 0.104 4.445 4.340 0.001 0.000 0.213 47 R C -0.003 176.401 176.300 0.174 0.000 1.055 47 R CA 1.401 57.568 56.100 0.111 0.000 0.996 47 R CB 0.231 30.599 30.300 0.115 0.000 0.901 47 R HN 0.730 nan 8.270 nan 0.000 0.456 48 E N 0.444 120.716 120.200 0.121 0.000 2.275 48 E HA 0.306 4.657 4.350 0.001 0.000 0.270 48 E C -1.846 174.745 176.600 -0.015 0.000 0.882 48 E CA -0.754 55.704 56.400 0.096 0.000 0.758 48 E CB 2.511 32.269 29.700 0.096 0.000 1.195 48 E HN -0.008 nan 8.360 nan 0.000 0.419 49 V N 4.429 124.301 119.914 -0.070 0.000 2.443 49 V HA 0.306 4.426 4.120 0.001 0.000 0.293 49 V C -0.391 175.490 176.094 -0.356 0.000 1.021 49 V CA -0.838 61.371 62.300 -0.152 0.000 0.848 49 V CB 1.602 33.378 31.823 -0.078 0.000 0.998 49 V HN 0.484 nan 8.190 nan 0.000 0.424 50 V N 6.426 126.044 119.914 -0.494 0.000 2.383 50 V HA 0.424 4.545 4.120 0.001 0.000 0.275 50 V C 0.024 175.780 176.094 -0.564 0.000 1.036 50 V CA -0.420 61.376 62.300 -0.839 0.000 0.889 50 V CB 1.551 32.801 31.823 -0.955 0.000 0.985 50 V HN 0.622 nan 8.190 nan 0.000 0.459 51 L N 5.784 126.689 121.223 -0.530 0.000 2.275 51 L HA 0.599 4.940 4.340 0.001 0.000 0.288 51 L C -0.637 176.019 176.870 -0.357 0.000 1.046 51 L CA -0.510 54.124 54.840 -0.344 0.000 0.805 51 L CB 1.721 43.650 42.059 -0.216 0.000 1.193 51 L HN 0.376 nan 8.230 nan 0.000 0.426 52 V N 2.627 122.339 119.914 -0.335 0.000 2.531 52 V HA 0.511 4.632 4.120 0.001 0.000 0.301 52 V C -0.635 175.290 176.094 -0.281 0.000 1.034 52 V CA -0.605 61.472 62.300 -0.371 0.000 0.865 52 V CB 2.147 33.627 31.823 -0.571 0.000 0.995 52 V HN 0.688 nan 8.190 nan 0.000 0.424 53 D N 2.378 122.650 120.400 -0.212 0.000 2.661 53 D HA 0.294 4.934 4.640 0.001 0.000 0.228 53 D C 0.397 176.647 176.300 -0.083 0.000 1.210 53 D CA -0.608 53.317 54.000 -0.126 0.000 0.826 53 D CB 2.968 43.724 40.800 -0.074 0.000 1.542 53 D HN 0.364 nan 8.370 nan 0.000 0.447 54 L N 1.795 122.997 121.223 -0.036 0.000 2.083 54 L HA -0.027 4.314 4.340 0.001 0.000 0.209 54 L C 0.572 177.438 176.870 -0.007 0.000 1.083 54 L CA 1.714 56.553 54.840 -0.001 0.000 0.752 54 L CB -0.327 41.743 42.059 0.020 0.000 0.899 54 L HN 0.380 nan 8.230 nan 0.000 0.433 55 D N -0.742 119.650 120.400 -0.013 0.000 2.393 55 D HA 0.046 4.687 4.640 0.001 0.000 0.232 55 D C 1.132 177.419 176.300 -0.021 0.000 1.192 55 D CA -0.084 53.909 54.000 -0.012 0.000 0.882 55 D CB 0.647 41.442 40.800 -0.009 0.000 1.038 55 D HN 0.009 nan 8.370 nan 0.000 0.499 56 R N 3.089 123.577 120.500 -0.019 0.000 2.092 56 R HA -0.063 4.277 4.340 0.001 0.000 0.231 56 R C 1.473 177.763 176.300 -0.017 0.000 1.119 56 R CA 0.850 56.937 56.100 -0.023 0.000 0.970 56 R CB -0.031 30.262 30.300 -0.013 0.000 0.864 56 R HN 0.346 nan 8.270 nan 0.000 0.440 57 K N 0.440 120.830 120.400 -0.015 0.000 2.296 57 K HA -0.041 4.280 4.320 0.001 0.000 0.200 57 K C 1.839 178.419 176.600 -0.034 0.000 1.048 57 K CA 0.239 56.515 56.287 -0.018 0.000 0.966 57 K CB -0.120 32.369 32.500 -0.018 0.000 0.754 57 K HN -0.045 nan 8.250 nan 0.000 0.466 58 L N 0.637 121.841 121.223 -0.032 0.000 1.988 58 L HA -0.046 4.294 4.340 0.001 0.000 0.207 58 L C 2.046 178.918 176.870 0.003 0.000 1.071 58 L CA 2.007 56.823 54.840 -0.041 0.000 0.744 58 L CB -1.003 41.053 42.059 -0.005 0.000 0.893 58 L HN 0.128 nan 8.230 nan 0.000 0.433 59 A N -0.855 121.978 122.820 0.023 0.000 1.903 59 A HA -0.336 3.985 4.320 0.001 0.000 0.219 59 A C 2.207 179.803 177.584 0.021 0.000 1.191 59 A CA 2.294 54.344 52.037 0.022 0.000 0.638 59 A CB -0.840 18.128 19.000 -0.053 0.000 0.823 59 A HN 0.707 nan 8.150 nan 0.000 0.451 60 Q N -0.926 118.875 119.800 0.002 0.000 2.124 60 Q HA -0.094 4.247 4.340 0.001 0.000 0.202 60 Q C 2.403 178.408 176.000 0.008 0.000 0.977 60 Q CA 1.426 57.239 55.803 0.017 0.000 0.850 60 Q CB -0.381 28.366 28.738 0.017 0.000 0.901 60 Q HN 0.722 nan 8.270 nan 0.000 0.429 61 A N 0.447 123.247 122.820 -0.033 0.000 1.872 61 A HA -0.192 4.129 4.320 0.001 0.000 0.214 61 A C 1.749 179.288 177.584 -0.075 0.000 1.187 61 A CA 1.223 53.212 52.037 -0.080 0.000 0.614 61 A CB -0.614 18.294 19.000 -0.153 0.000 0.826 61 A HN 0.340 nan 8.150 nan 0.000 0.442 62 H N -0.208 118.846 119.070 -0.027 0.000 2.387 62 H HA -0.051 4.507 4.556 0.002 0.000 0.299 62 H C 2.552 177.879 175.328 -0.002 0.000 1.090 62 H CA 1.416 57.448 56.048 -0.028 0.000 1.332 62 H CB -0.454 29.279 29.762 -0.049 0.000 1.386 62 H HN 0.509 nan 8.280 nan 0.000 0.516 63 A N 0.794 123.688 122.820 0.123 0.000 1.877 63 A HA -0.203 4.118 4.320 0.001 0.000 0.216 63 A C 2.393 180.032 177.584 0.093 0.000 1.186 63 A CA 1.870 53.965 52.037 0.097 0.000 0.620 63 A CB -0.437 18.611 19.000 0.080 0.000 0.822 63 A HN 0.485 nan 8.150 nan 0.000 0.443 64 E N -0.612 119.615 120.200 0.046 0.000 2.106 64 E HA -0.214 4.137 4.350 0.001 0.000 0.192 64 E C 1.639 178.211 176.600 -0.048 0.000 0.984 64 E CA 1.096 57.479 56.400 -0.030 0.000 0.806 64 E CB -0.111 29.548 29.700 -0.068 0.000 0.750 64 E HN 0.526 nan 8.360 nan 0.000 0.458 65 D N 0.269 120.689 120.400 0.033 0.000 2.117 65 D HA -0.151 4.490 4.640 0.001 0.000 0.197 65 D C 1.859 178.266 176.300 0.179 0.000 0.987 65 D CA 1.101 55.163 54.000 0.103 0.000 0.829 65 D CB -0.066 40.775 40.800 0.069 0.000 0.961 65 D HN 0.274 nan 8.370 nan 0.000 0.460 66 I N -0.092 120.587 120.570 0.181 0.000 2.252 66 I HA -0.196 3.975 4.170 0.001 0.000 0.245 66 I C 2.309 178.584 176.117 0.264 0.000 1.102 66 I CA 0.331 61.794 61.300 0.272 0.000 1.385 66 I CB -0.208 37.949 38.000 0.263 0.000 1.064 66 I HN 0.096 nan 8.210 nan 0.000 0.414 67 L N 0.559 121.893 121.223 0.185 0.000 2.127 67 L HA -0.247 4.093 4.340 0.001 0.000 0.211 67 L C 2.515 179.510 176.870 0.207 0.000 1.089 67 L CA 1.968 56.909 54.840 0.169 0.000 0.757 67 L CB -0.991 41.139 42.059 0.117 0.000 0.899 67 L HN 0.237 nan 8.230 nan 0.000 0.434 68 H N -0.798 118.379 119.070 0.178 0.000 2.489 68 H HA 0.037 4.594 4.556 0.001 0.000 0.293 68 H C 2.031 177.544 175.328 0.308 0.000 1.066 68 H CA 1.035 57.204 56.048 0.201 0.000 1.305 68 H CB -0.067 29.801 29.762 0.178 0.000 1.386 68 H HN 0.492 nan 8.280 nan 0.000 0.551 69 A N -0.131 122.956 122.820 0.446 0.000 2.095 69 A HA -0.044 4.277 4.320 0.001 0.000 0.212 69 A C 2.504 180.312 177.584 0.375 0.000 1.162 69 A CA 1.022 53.361 52.037 0.503 0.000 0.753 69 A CB -0.469 18.832 19.000 0.503 0.000 0.840 69 A HN 0.511 nan 8.150 nan 0.000 0.468 70 T N -1.512 113.178 114.554 0.227 0.000 2.803 70 T HA -0.066 4.285 4.350 0.001 0.000 0.269 70 T C -0.442 174.247 174.700 -0.018 0.000 1.052 70 T CA 1.453 63.626 62.100 0.121 0.000 1.136 70 T CB -1.458 67.485 68.868 0.125 0.000 0.864 70 T HN 0.334 nan 8.240 nan 0.000 0.467 71 P HA 0.071 nan 4.420 nan 0.000 0.225 71 P C 0.385 177.354 177.300 -0.552 0.000 1.148 71 P CA 0.617 63.451 63.100 -0.443 0.000 0.779 71 P CB -0.380 30.898 31.700 -0.703 0.000 0.780 72 F N -1.766 118.195 119.950 0.018 0.000 2.660 72 F HA 0.490 5.017 4.527 0.001 0.000 0.297 72 F C 1.494 177.264 175.800 -0.049 0.000 1.132 72 F CA -0.115 57.879 58.000 -0.009 0.000 1.372 72 F CB -0.417 38.592 39.000 0.014 0.000 1.003 72 F HN -0.043 nan 8.300 nan 0.000 0.524 73 A N -1.538 121.275 122.820 -0.011 0.000 1.508 73 A HA 0.357 4.678 4.320 0.001 0.000 0.143 73 A C -0.452 176.909 177.584 -0.371 0.000 1.532 73 A CA -0.268 51.690 52.037 -0.131 0.000 2.572 73 A CB 0.759 19.769 19.000 0.018 0.000 2.693 73 A HN 0.149 nan 8.150 nan 0.000 1.315 74 H N -0.106 118.974 119.070 0.017 0.000 2.768 74 H HA 0.429 4.986 4.556 0.001 0.000 0.371 74 H C -2.805 172.538 175.328 0.024 0.000 1.151 74 H CA -1.933 54.124 56.048 0.015 0.000 1.165 74 H CB 1.525 31.297 29.762 0.017 0.000 1.722 74 H HN 0.144 nan 8.280 nan 0.000 0.543 75 P HA 0.021 nan 4.420 nan 0.000 0.263 75 P C -0.681 176.703 177.300 0.140 0.000 1.276 75 P CA 0.210 63.371 63.100 0.101 0.000 0.986 75 P CB -0.008 31.735 31.700 0.070 0.000 1.105 76 V N 4.543 124.553 119.914 0.160 0.000 2.577 76 V HA 0.293 4.414 4.120 0.001 0.000 0.303 76 V C -0.766 175.494 176.094 0.277 0.000 1.042 76 V CA -0.708 61.707 62.300 0.192 0.000 0.872 76 V CB 2.127 34.042 31.823 0.153 0.000 0.998 76 V HN 0.459 nan 8.190 nan 0.000 0.423 77 W N 6.900 128.258 121.300 0.098 0.000 2.433 77 W HA 0.609 5.269 4.660 0.001 0.000 0.331 77 W C -0.783 175.878 176.519 0.236 0.000 1.110 77 W CA -0.946 56.478 57.345 0.131 0.000 1.450 77 W CB 0.715 30.232 29.460 0.095 0.000 1.348 77 W HN 0.342 nan 8.180 nan 0.000 0.415 78 V N 9.163 129.295 119.914 0.362 0.000 2.394 78 V HA 0.510 4.631 4.120 0.001 0.000 0.282 78 V C -0.074 176.192 176.094 0.287 0.000 1.031 78 V CA -0.539 61.877 62.300 0.193 0.000 0.881 78 V CB 0.306 32.223 31.823 0.158 0.000 0.982 78 V HN 0.525 nan 8.190 nan 0.000 0.451 79 W N 3.095 124.292 121.300 -0.171 0.000 3.074 79 W HA 0.903 5.563 4.660 0.001 0.000 0.332 79 W C -0.787 175.657 176.519 -0.125 0.000 1.253 79 W CA -1.283 55.996 57.345 -0.109 0.000 1.180 79 W CB 1.345 30.732 29.460 -0.121 0.000 1.445 79 W HN 0.691 nan 8.180 nan 0.000 0.573 84 S N -1.400 114.212 115.700 -0.145 0.000 2.719 84 S HA 0.496 4.967 4.470 0.001 0.000 0.285 84 S C 0.955 175.446 174.600 -0.182 0.000 1.137 84 S CA -0.288 57.830 58.200 -0.137 0.000 1.012 84 S CB 0.837 64.038 63.200 0.002 0.000 1.134 84 S HN 0.519 nan 8.310 nan 0.000 0.544 85 Y N 0.622 120.876 120.300 -0.077 0.000 2.333 85 Y HA 0.068 4.619 4.550 0.002 0.000 0.290 85 Y C 2.670 178.529 175.900 -0.069 0.000 1.144 85 Y CA 1.582 59.632 58.100 -0.084 0.000 1.228 85 Y CB -0.898 37.521 38.460 -0.069 0.000 0.985 85 Y HN 0.855 nan 8.280 nan 0.000 0.542 86 G N -0.602 108.258 108.800 0.100 0.000 2.422 86 G HA2 -0.191 3.770 3.960 0.001 0.000 0.218 86 G HA3 -0.191 3.770 3.960 0.001 0.000 0.218 86 G C 1.131 176.057 174.900 0.044 0.000 1.140 86 G CA 0.943 46.084 45.100 0.067 0.000 0.775 86 G HN 0.262 nan 8.290 nan 0.000 0.545 87 D N 0.366 120.771 120.400 0.009 0.000 2.392 87 D HA 0.002 4.643 4.640 0.001 0.000 0.228 87 D C 2.230 178.472 176.300 -0.098 0.000 1.003 87 D CA 0.188 54.192 54.000 0.008 0.000 0.917 87 D CB 0.129 40.858 40.800 -0.120 0.000 0.890 87 D HN 0.321 nan 8.370 nan 0.000 0.532 88 L N 0.247 121.417 121.223 -0.089 0.000 2.418 88 L HA 0.036 4.376 4.340 0.001 0.000 0.218 88 L C 1.088 177.939 176.870 -0.032 0.000 1.125 88 L CA -0.025 54.759 54.840 -0.094 0.000 0.835 88 L CB -0.178 41.838 42.059 -0.071 0.000 0.953 88 L HN -0.057 nan 8.230 nan 0.000 0.454 89 E N 0.663 120.867 120.200 0.006 0.000 2.608 89 E HA -0.010 4.341 4.350 0.001 0.000 0.259 89 E C 1.189 177.802 176.600 0.021 0.000 0.951 89 E CA 0.959 57.371 56.400 0.020 0.000 0.945 89 E CB 0.227 29.950 29.700 0.038 0.000 0.916 89 E HN 0.333 nan 8.360 nan 0.000 0.477 90 G N 2.386 111.194 108.800 0.014 0.000 2.179 90 G HA2 -0.325 3.635 3.960 0.001 0.000 0.260 90 G HA3 -0.325 3.635 3.960 0.001 0.000 0.260 90 G C 0.286 175.189 174.900 0.004 0.000 0.977 90 G CA 0.099 45.208 45.100 0.016 0.000 0.641 90 G HN 0.932 nan 8.290 nan 0.000 0.533 91 A N 0.173 122.985 122.820 -0.014 0.000 2.488 91 A HA 0.645 4.966 4.320 0.001 0.000 0.249 91 A C 1.525 179.095 177.584 -0.024 0.000 1.083 91 A CA 0.496 52.514 52.037 -0.032 0.000 0.768 91 A CB 0.308 19.270 19.000 -0.062 0.000 1.017 91 A HN 0.279 nan 8.150 nan 0.000 0.496 92 R N 1.109 121.596 120.500 -0.022 0.000 2.119 92 R HA 0.123 4.464 4.340 0.001 0.000 0.222 92 R C 0.571 176.855 176.300 -0.026 0.000 1.088 92 R CA 1.369 57.458 56.100 -0.018 0.000 0.984 92 R CB -0.421 29.871 30.300 -0.013 0.000 0.884 92 R HN 0.828 nan 8.270 nan 0.000 0.447 93 A N 0.275 123.072 122.820 -0.038 0.000 2.515 93 A HA 0.599 4.920 4.320 0.001 0.000 0.298 93 A C -1.127 176.421 177.584 -0.060 0.000 1.059 93 A CA -0.555 51.455 52.037 -0.045 0.000 0.698 93 A CB 2.211 21.182 19.000 -0.047 0.000 1.289 93 A HN -0.075 nan 8.150 nan 0.000 0.404 94 V N 1.927 121.804 119.914 -0.062 0.000 2.487 94 V HA 0.404 4.524 4.120 0.001 0.000 0.298 94 V C -0.337 175.710 176.094 -0.080 0.000 1.028 94 V CA -0.623 61.629 62.300 -0.080 0.000 0.860 94 V CB 1.633 33.409 31.823 -0.078 0.000 0.991 94 V HN 0.685 nan 8.190 nan 0.000 0.427 95 V N 6.227 126.088 119.914 -0.088 0.000 2.432 95 V HA 0.289 4.410 4.120 0.001 0.000 0.271 95 V C -0.118 175.922 176.094 -0.091 0.000 1.046 95 V CA -0.398 61.857 62.300 -0.075 0.000 0.945 95 V CB 1.252 33.034 31.823 -0.068 0.000 0.992 95 V HN 0.558 nan 8.190 nan 0.000 0.471 96 L N 5.268 126.441 121.223 -0.083 0.000 2.302 96 L HA 0.507 4.848 4.340 0.001 0.000 0.285 96 L C 0.868 177.740 176.870 0.003 0.000 1.090 96 L CA 0.511 55.272 54.840 -0.133 0.000 0.866 96 L CB 0.859 42.751 42.059 -0.277 0.000 1.244 96 L HN 0.762 nan 8.230 nan 0.000 0.435 97 A N 2.912 125.728 122.820 -0.006 0.000 2.589 97 A HA 0.716 5.037 4.320 0.001 0.000 0.283 97 A C 0.827 178.451 177.584 0.066 0.000 1.187 97 A CA 0.067 52.133 52.037 0.048 0.000 0.957 97 A CB 0.123 19.120 19.000 -0.006 0.000 1.175 97 A HN 0.550 nan 8.150 nan 0.000 0.532 98 A N -0.126 122.745 122.820 0.085 0.000 2.371 98 A HA 0.713 5.033 4.320 0.001 0.000 0.257 98 A C 0.599 178.307 177.584 0.207 0.000 1.089 98 A CA 0.435 52.533 52.037 0.101 0.000 0.794 98 A CB 0.286 19.321 19.000 0.057 0.000 1.029 98 A HN 1.522 nan 8.150 nan 0.000 0.488 99 G N -0.943 107.930 108.800 0.122 0.000 2.441 99 G HA2 0.604 4.565 3.960 0.001 0.000 0.294 99 G HA3 0.604 4.565 3.960 0.001 0.000 0.294 99 G C -0.724 174.207 174.900 0.051 0.000 1.393 99 G CA 0.095 45.252 45.100 0.096 0.000 0.796 99 G HN 1.904 nan 8.290 nan 0.000 0.494 100 V N -1.525 118.408 119.914 0.033 0.000 2.837 100 V HA 0.879 5.000 4.120 0.001 0.000 0.310 100 V C 0.917 177.018 176.094 0.011 0.000 1.059 100 V CA -0.258 62.054 62.300 0.021 0.000 1.004 100 V CB 1.108 32.942 31.823 0.017 0.000 1.045 100 V HN 2.156 nan 8.190 nan 0.000 0.465 101 A N 2.502 125.326 122.820 0.007 0.000 2.511 101 A HA 0.256 4.577 4.320 0.001 0.000 0.242 101 A C 0.527 178.113 177.584 0.003 0.000 1.069 101 A CA -0.023 52.016 52.037 0.002 0.000 0.763 101 A CB -0.127 18.873 19.000 0.000 0.000 1.001 101 A HN 0.915 nan 8.150 nan 0.000 0.498 102 Q N 0.834 120.635 119.800 0.002 0.000 2.474 102 Q HA 0.191 4.532 4.340 0.001 0.000 0.256 102 Q C 0.172 176.173 176.000 0.002 0.000 1.048 102 Q CA 0.786 56.590 55.803 0.002 0.000 0.922 102 Q CB 0.596 29.335 28.738 0.002 0.000 1.288 102 Q HN 0.799 nan 8.270 nan 0.000 0.484 106 G N 1.540 110.345 108.800 0.009 0.000 2.316 106 G HA2 -0.150 3.810 3.960 0.001 0.000 0.203 106 G HA3 -0.150 3.810 3.960 0.001 0.000 0.203 106 G C 0.108 175.014 174.900 0.010 0.000 0.999 106 G CA 0.057 45.163 45.100 0.010 0.000 0.649 106 G HN 0.878 nan 8.290 nan 0.000 0.489 107 E N 1.627 121.832 120.200 0.009 0.000 2.390 107 E HA 0.482 4.833 4.350 0.001 0.000 0.261 107 E C 0.507 177.112 176.600 0.010 0.000 1.076 107 E CA 0.213 56.618 56.400 0.008 0.000 0.905 107 E CB 0.551 30.255 29.700 0.007 0.000 0.984 107 E HN 0.443 nan 8.360 nan 0.000 0.427 108 T N 0.873 115.433 114.554 0.009 0.000 2.910 108 T HA 0.204 4.555 4.350 0.001 0.000 0.293 108 T C 0.879 175.584 174.700 0.008 0.000 1.015 108 T CA -0.542 61.564 62.100 0.010 0.000 1.094 108 T CB 1.249 70.123 68.868 0.011 0.000 0.968 108 T HN 0.662 nan 8.240 nan 0.000 0.521 109 R N 1.137 121.642 120.500 0.008 0.000 2.301 109 R HA -0.219 4.122 4.340 0.001 0.000 0.250 109 R C 2.062 178.365 176.300 0.005 0.000 1.102 109 R CA 2.294 58.397 56.100 0.006 0.000 0.933 109 R CB -1.183 29.121 30.300 0.007 0.000 0.955 109 R HN 0.558 nan 8.270 nan 0.000 0.439 110 L N 0.371 121.600 121.223 0.010 0.000 2.240 110 L HA -0.021 4.320 4.340 0.001 0.000 0.211 110 L C 2.313 179.189 176.870 0.011 0.000 1.106 110 L CA 1.494 56.342 54.840 0.014 0.000 0.793 110 L CB -1.183 40.888 42.059 0.021 0.000 0.927 110 L HN 0.337 nan 8.230 nan 0.000 0.446 111 Q N -0.003 119.802 119.800 0.008 0.000 2.049 111 Q HA -0.173 4.168 4.340 0.001 0.000 0.198 111 Q C 2.296 178.298 176.000 0.003 0.000 0.971 111 Q CA 1.075 56.882 55.803 0.007 0.000 0.833 111 Q CB -0.119 28.623 28.738 0.007 0.000 0.896 111 Q HN 0.293 nan 8.270 nan 0.000 0.434 112 L N 0.520 121.742 121.223 -0.001 0.000 2.046 112 L HA -0.159 4.182 4.340 0.001 0.000 0.208 112 L C 1.949 178.806 176.870 -0.021 0.000 1.077 112 L CA 1.469 56.304 54.840 -0.008 0.000 0.747 112 L CB -0.418 41.636 42.059 -0.008 0.000 0.896 112 L HN 0.240 nan 8.230 nan 0.000 0.432 113 L N -0.513 120.696 121.223 -0.022 0.000 2.012 113 L HA -0.254 4.087 4.340 0.001 0.000 0.210 113 L C 2.392 179.244 176.870 -0.030 0.000 1.073 113 L CA 2.097 56.913 54.840 -0.039 0.000 0.748 113 L CB -0.690 41.357 42.059 -0.020 0.000 0.891 113 L HN 0.480 nan 8.230 nan 0.000 0.431 114 D N -0.032 120.367 120.400 -0.001 0.000 2.149 114 D HA -0.224 4.417 4.640 0.001 0.000 0.198 114 D C 2.180 178.487 176.300 0.011 0.000 0.990 114 D CA 1.379 55.388 54.000 0.016 0.000 0.839 114 D CB 0.150 40.961 40.800 0.019 0.000 0.948 114 D HN 0.305 nan 8.370 nan 0.000 0.460 115 R N -0.105 120.396 120.500 0.001 0.000 2.066 115 R HA -0.030 4.311 4.340 0.001 0.000 0.232 115 R C 2.160 178.462 176.300 0.003 0.000 1.131 115 R CA 1.092 57.196 56.100 0.007 0.000 0.955 115 R CB -0.160 30.144 30.300 0.006 0.000 0.851 115 R HN 0.144 nan 8.270 nan 0.000 0.432 116 N N 0.738 119.418 118.700 -0.034 0.000 2.244 116 N HA -0.088 4.652 4.740 0.001 0.000 0.183 116 N C 1.591 177.030 175.510 -0.119 0.000 1.016 116 N CA 1.324 54.328 53.050 -0.076 0.000 0.866 116 N CB -0.280 38.107 38.487 -0.167 0.000 0.980 116 N HN 0.215 nan 8.380 nan 0.000 0.430 117 A N 0.871 123.623 122.820 -0.114 0.000 1.883 117 A HA -0.203 4.118 4.320 0.001 0.000 0.217 117 A C 2.207 179.825 177.584 0.056 0.000 1.186 117 A CA 1.477 53.470 52.037 -0.074 0.000 0.624 117 A CB -0.663 18.339 19.000 0.003 0.000 0.822 117 A HN 0.150 nan 8.150 nan 0.000 0.444 118 Q N -0.280 119.557 119.800 0.061 0.000 2.152 118 Q HA -0.122 4.219 4.340 0.001 0.000 0.206 118 Q C 2.026 178.087 176.000 0.102 0.000 0.985 118 Q CA 1.885 57.735 55.803 0.078 0.000 0.863 118 Q CB -0.655 28.115 28.738 0.053 0.000 0.904 118 Q HN 0.429 nan 8.270 nan 0.000 0.422 119 V N -0.383 119.608 119.914 0.127 0.000 2.307 119 V HA -0.199 3.921 4.120 0.001 0.000 0.245 119 V C 1.804 178.064 176.094 0.277 0.000 1.045 119 V CA 1.572 63.983 62.300 0.185 0.000 1.024 119 V CB -0.621 31.330 31.823 0.213 0.000 0.651 119 V HN 0.262 nan 8.190 nan 0.000 0.449 120 F N 1.009 120.955 119.950 -0.007 0.000 2.269 120 F HA -0.088 4.440 4.527 0.001 0.000 0.301 120 F C 2.392 178.182 175.800 -0.017 0.000 1.082 120 F CA 0.771 58.759 58.000 -0.020 0.000 1.360 120 F CB -1.219 37.749 39.000 -0.052 0.000 1.041 120 F HN 0.117 nan 8.300 nan 0.000 0.512 121 A N -0.719 122.211 122.820 0.182 0.000 2.070 121 A HA -0.165 4.156 4.320 0.001 0.000 0.220 121 A C 2.176 179.783 177.584 0.039 0.000 1.159 121 A CA 1.283 53.384 52.037 0.108 0.000 0.656 121 A CB -0.314 18.755 19.000 0.114 0.000 0.800 121 A HN 0.320 nan 8.150 nan 0.000 0.453 122 Q N -0.814 119.004 119.800 0.030 0.000 2.200 122 Q HA 0.028 4.369 4.340 0.001 0.000 0.197 122 Q C 2.346 178.283 176.000 -0.105 0.000 0.953 122 Q CA 1.305 57.090 55.803 -0.030 0.000 0.851 122 Q CB -0.752 27.985 28.738 -0.001 0.000 0.938 122 Q HN 0.443 nan 8.270 nan 0.000 0.488 123 V N 1.082 120.951 119.914 -0.076 0.000 2.295 123 V HA -0.203 3.918 4.120 0.001 0.000 0.246 123 V C 2.564 178.542 176.094 -0.193 0.000 1.049 123 V CA 1.444 63.669 62.300 -0.125 0.000 1.024 123 V CB -0.710 31.034 31.823 -0.133 0.000 0.648 123 V HN 0.058 nan 8.190 nan 0.000 0.447 124 V N 0.402 120.211 119.914 -0.176 0.000 2.255 124 V HA -0.191 3.930 4.120 0.001 0.000 0.247 124 V C 0.212 176.225 176.094 -0.135 0.000 1.051 124 V CA 2.702 64.909 62.300 -0.155 0.000 1.018 124 V CB -2.095 29.670 31.823 -0.097 0.000 0.641 124 V HN 0.508 nan 8.190 nan 0.000 0.445 125 P HA -0.155 nan 4.420 nan 0.000 0.216 125 P C 1.679 178.872 177.300 -0.177 0.000 1.150 125 P CA 1.459 64.483 63.100 -0.126 0.000 0.843 125 P CB -0.163 31.470 31.700 -0.112 0.000 0.787 126 R N -0.780 119.540 120.500 -0.300 0.000 2.115 126 R HA -0.023 4.318 4.340 0.001 0.000 0.230 126 R C 2.102 178.242 176.300 -0.266 0.000 1.111 126 R CA 1.025 56.842 56.100 -0.470 0.000 0.976 126 R CB -1.132 28.472 30.300 -1.160 0.000 0.870 126 R HN 0.168 nan 8.270 nan 0.000 0.445 127 V N 1.697 121.526 119.914 -0.141 0.000 2.283 127 V HA -0.190 3.931 4.120 0.001 0.000 0.243 127 V C 2.415 178.491 176.094 -0.029 0.000 1.039 127 V CA 1.476 63.779 62.300 0.006 0.000 1.016 127 V CB -0.410 31.410 31.823 -0.006 0.000 0.650 127 V HN 0.260 nan 8.190 nan 0.000 0.449 128 L N 0.048 121.236 121.223 -0.059 0.000 2.191 128 L HA -0.211 4.130 4.340 0.001 0.000 0.212 128 L C 2.557 179.402 176.870 -0.042 0.000 1.103 128 L CA 1.823 56.634 54.840 -0.048 0.000 0.769 128 L CB -0.588 41.438 42.059 -0.056 0.000 0.908 128 L HN 0.515 nan 8.230 nan 0.000 0.438 129 E N 0.438 120.605 120.200 -0.055 0.000 2.106 129 E HA -0.206 4.145 4.350 0.001 0.000 0.192 129 E C 2.103 178.691 176.600 -0.020 0.000 0.984 129 E CA 1.216 57.590 56.400 -0.043 0.000 0.806 129 E CB 0.139 29.802 29.700 -0.061 0.000 0.750 129 E HN 0.467 nan 8.360 nan 0.000 0.458 130 A N 0.373 123.188 122.820 -0.008 0.000 1.997 130 A HA 0.471 4.792 4.320 0.001 0.000 0.212 130 A C 0.913 178.501 177.584 0.007 0.000 1.178 130 A CA 0.693 52.739 52.037 0.014 0.000 0.698 130 A CB 0.305 19.335 19.000 0.050 0.000 0.842 130 A HN 0.275 nan 8.150 nan 0.000 0.458 131 A N -0.464 122.355 122.820 -0.002 0.000 2.515 131 A HA 0.534 4.855 4.320 0.001 0.000 0.298 131 A C 0.610 178.186 177.584 -0.013 0.000 1.059 131 A CA 0.216 52.249 52.037 -0.007 0.000 0.698 131 A CB 0.725 19.716 19.000 -0.014 0.000 1.289 131 A HN 0.691 nan 8.150 nan 0.000 0.404 132 E N -0.151 120.045 120.200 -0.008 0.000 2.843 132 E HA -0.296 4.055 4.350 0.001 0.000 0.266 132 E C 0.424 177.020 176.600 -0.006 0.000 1.296 132 E CA 1.596 57.993 56.400 -0.004 0.000 0.695 132 E CB -2.126 27.574 29.700 -0.001 0.000 1.300 132 E HN 1.651 nan 8.360 nan 0.000 0.430 133 A N 0.996 123.809 122.820 -0.012 0.000 2.401 133 A HA 0.423 4.744 4.320 0.001 0.000 0.259 133 A C 0.439 178.014 177.584 -0.015 0.000 1.103 133 A CA -0.096 51.931 52.037 -0.017 0.000 0.789 133 A CB 1.000 19.984 19.000 -0.027 0.000 1.035 133 A HN 0.153 nan 8.150 nan 0.000 0.491 134 V N 4.087 123.993 119.914 -0.014 0.000 2.493 134 V HA 0.004 4.125 4.120 0.001 0.000 0.292 134 V C 0.437 176.519 176.094 -0.020 0.000 1.016 134 V CA 0.421 62.714 62.300 -0.011 0.000 1.097 134 V CB -0.071 31.743 31.823 -0.015 0.000 0.947 134 V HN 0.629 nan 8.190 nan 0.000 0.479 135 L N 6.160 127.376 121.223 -0.011 0.000 2.281 135 L HA 0.349 4.690 4.340 0.001 0.000 0.285 135 L C -0.307 176.556 176.870 -0.012 0.000 1.074 135 L CA -0.430 54.398 54.840 -0.020 0.000 0.817 135 L CB 0.934 42.985 42.059 -0.014 0.000 1.168 135 L HN 0.419 nan 8.230 nan 0.000 0.434 136 L N 5.381 126.588 121.223 -0.026 0.000 2.295 136 L HA 0.400 4.741 4.340 0.001 0.000 0.281 136 L C -0.171 176.698 176.870 -0.002 0.000 1.018 136 L CA -0.264 54.563 54.840 -0.022 0.000 0.841 136 L CB 1.557 43.590 42.059 -0.045 0.000 1.218 136 L HN 0.198 nan 8.230 nan 0.000 0.424 137 V N 4.763 124.698 119.914 0.035 0.000 2.546 137 V HA 0.582 4.703 4.120 0.001 0.000 0.284 137 V C 0.868 177.005 176.094 0.072 0.000 1.050 137 V CA 0.460 62.820 62.300 0.101 0.000 0.981 137 V CB 0.993 32.914 31.823 0.164 0.000 0.990 137 V HN 0.915 nan 8.190 nan 0.000 0.474 138 A N 3.017 125.900 122.820 0.105 0.000 2.027 138 A HA 0.248 4.569 4.320 0.001 0.000 0.196 138 A C 1.066 178.699 177.584 0.082 0.000 1.573 138 A CA 0.098 52.172 52.037 0.062 0.000 1.097 138 A CB 0.053 19.077 19.000 0.041 0.000 1.196 138 A HN 0.640 nan 8.150 nan 0.000 0.462 139 T N 2.693 117.331 114.554 0.140 0.000 2.871 139 T HA 0.132 4.483 4.350 0.001 0.000 0.296 139 T C 0.098 174.804 174.700 0.009 0.000 0.998 139 T CA 0.258 62.414 62.100 0.093 0.000 1.162 139 T CB -0.244 68.714 68.868 0.151 0.000 0.947 139 T HN 0.469 nan 8.240 nan 0.000 0.536 140 N N 3.914 122.625 118.700 0.018 0.000 2.508 140 N HA 0.237 4.978 4.740 0.001 0.000 0.264 140 N C -2.616 172.867 175.510 -0.046 0.000 1.216 140 N CA -1.396 51.663 53.050 0.015 0.000 0.943 140 N CB 0.449 38.960 38.487 0.041 0.000 1.113 140 N HN 0.326 nan 8.380 nan 0.000 0.447 141 P HA -0.016 nan 4.420 nan 0.000 0.276 141 P C 0.564 177.860 177.300 -0.007 0.000 1.253 141 P CA -0.115 62.983 63.100 -0.003 0.000 0.766 141 P CB 1.077 32.768 31.700 -0.015 0.000 0.845 142 V N 3.280 123.229 119.914 0.058 0.000 2.626 142 V HA -0.182 3.939 4.120 0.001 0.000 0.252 142 V C 1.335 177.438 176.094 0.015 0.000 1.067 142 V CA 1.984 64.304 62.300 0.033 0.000 1.081 142 V CB -0.532 31.319 31.823 0.046 0.000 0.686 142 V HN 0.461 nan 8.190 nan 0.000 0.468 143 D N -0.260 120.157 120.400 0.029 0.000 2.091 143 D HA -0.101 4.539 4.640 0.001 0.000 0.199 143 D C 2.173 178.475 176.300 0.004 0.000 0.980 143 D CA 1.673 55.686 54.000 0.022 0.000 0.831 143 D CB -0.150 40.670 40.800 0.033 0.000 0.987 143 D HN 0.418 nan 8.370 nan 0.000 0.460 144 V N 1.733 121.638 119.914 -0.015 0.000 2.407 144 V HA -0.222 3.898 4.120 0.001 0.000 0.248 144 V C 2.502 178.519 176.094 -0.128 0.000 1.055 144 V CA 1.101 63.373 62.300 -0.045 0.000 1.049 144 V CB -0.327 31.472 31.823 -0.040 0.000 0.662 144 V HN 0.191 nan 8.190 nan 0.000 0.455 145 M N -0.374 119.122 119.600 -0.172 0.000 2.117 145 M HA -0.135 4.346 4.480 0.001 0.000 0.262 145 M C 2.298 178.541 176.300 -0.095 0.000 1.065 145 M CA 1.833 56.945 55.300 -0.315 0.000 1.114 145 M CB -1.791 30.517 32.600 -0.488 0.000 1.361 145 M HN 0.363 nan 8.290 nan 0.000 0.408 146 T N 0.327 114.883 114.554 0.003 0.000 2.720 146 T HA -0.217 4.134 4.350 0.001 0.000 0.268 146 T C 1.814 176.567 174.700 0.089 0.000 1.037 146 T CA 1.776 63.922 62.100 0.077 0.000 1.144 146 T CB -0.217 68.685 68.868 0.057 0.000 0.864 146 T HN 0.343 nan 8.240 nan 0.000 0.444 147 Q N 0.901 120.728 119.800 0.044 0.000 2.084 147 Q HA -0.092 4.249 4.340 0.001 0.000 0.202 147 Q C 2.367 178.347 176.000 -0.032 0.000 0.978 147 Q CA 1.761 57.617 55.803 0.088 0.000 0.844 147 Q CB -0.498 28.290 28.738 0.085 0.000 0.898 147 Q HN 0.502 nan 8.270 nan 0.000 0.426 148 V N -0.985 118.759 119.914 -0.282 0.000 2.488 148 V HA 0.014 4.135 4.120 0.001 0.000 0.246 148 V C 2.034 178.037 176.094 -0.152 0.000 1.046 148 V CA 1.723 63.666 62.300 -0.595 0.000 1.053 148 V CB -1.046 30.137 31.823 -1.067 0.000 0.679 148 V HN 0.380 nan 8.190 nan 0.000 0.458 149 A N -0.188 122.676 122.820 0.072 0.000 1.917 149 A HA -0.254 4.067 4.320 0.001 0.000 0.219 149 A C 2.220 179.852 177.584 0.080 0.000 1.182 149 A CA 2.334 54.459 52.037 0.148 0.000 0.633 149 A CB -1.163 17.972 19.000 0.226 0.000 0.819 149 A HN 0.938 nan 8.150 nan 0.000 0.448 150 Y N 0.526 120.818 120.300 -0.013 0.000 2.114 150 Y HA -0.059 4.492 4.550 0.001 0.000 0.284 150 Y C 2.625 178.488 175.900 -0.062 0.000 1.143 150 Y CA 1.436 59.512 58.100 -0.040 0.000 1.135 150 Y CB -0.703 37.732 38.460 -0.041 0.000 0.980 150 Y HN 0.291 nan 8.280 nan 0.000 0.499 151 A N 0.561 123.252 122.820 -0.215 0.000 1.902 151 A HA -0.151 4.169 4.320 0.001 0.000 0.217 151 A C 2.285 179.789 177.584 -0.133 0.000 1.181 151 A CA 1.927 53.830 52.037 -0.223 0.000 0.623 151 A CB -1.193 17.911 19.000 0.175 0.000 0.818 151 A HN 0.580 nan 8.150 nan 0.000 0.443 152 L N 0.408 121.611 121.223 -0.032 0.000 2.141 152 L HA -0.143 4.198 4.340 0.001 0.000 0.209 152 L C 2.939 179.765 176.870 -0.072 0.000 1.094 152 L CA 1.397 56.234 54.840 -0.005 0.000 0.763 152 L CB -0.365 41.718 42.059 0.041 0.000 0.908 152 L HN 0.605 nan 8.230 nan 0.000 0.437 153 S N -0.427 115.206 115.700 -0.113 0.000 2.406 153 S HA -0.030 4.441 4.470 0.001 0.000 0.228 153 S C 1.782 176.302 174.600 -0.135 0.000 1.020 153 S CA 0.595 58.731 58.200 -0.107 0.000 0.965 153 S CB -0.392 62.762 63.200 -0.076 0.000 0.798 153 S HN 0.502 nan 8.310 nan 0.000 0.488 154 G N 1.122 109.790 108.800 -0.221 0.000 2.187 154 G HA2 -0.252 3.709 3.960 0.001 0.000 0.261 154 G HA3 -0.252 3.709 3.960 0.001 0.000 0.261 154 G C -0.025 174.783 174.900 -0.154 0.000 1.000 154 G CA 0.627 45.605 45.100 -0.203 0.000 0.718 154 G HN 0.571 nan 8.290 nan 0.000 0.519 155 L N 0.482 121.619 121.223 -0.142 0.000 2.418 155 L HA 0.383 4.724 4.340 0.001 0.000 0.265 155 L C -1.360 175.525 176.870 0.025 0.000 1.143 155 L CA -2.121 52.696 54.840 -0.038 0.000 0.809 155 L CB 0.579 42.644 42.059 0.010 0.000 1.124 155 L HN -0.099 nan 8.230 nan 0.000 0.456 156 P HA 0.008 nan 4.420 nan 0.000 0.266 156 P C -2.107 175.327 177.300 0.224 0.000 1.193 156 P CA -0.809 62.370 63.100 0.132 0.000 0.770 156 P CB -0.031 31.718 31.700 0.082 0.000 0.836 157 P HA -0.118 nan 4.420 nan 0.000 0.218 157 P C 1.357 178.707 177.300 0.084 0.000 1.148 157 P CA 1.721 64.919 63.100 0.162 0.000 0.822 157 P CB -0.256 31.520 31.700 0.126 0.000 0.784 158 G N -0.576 108.274 108.800 0.082 0.000 2.813 158 G HA2 -0.127 3.834 3.960 0.001 0.000 0.209 158 G HA3 -0.127 3.834 3.960 0.001 0.000 0.209 158 G C 1.329 176.260 174.900 0.050 0.000 1.150 158 G CA -0.057 45.073 45.100 0.051 0.000 0.785 158 G HN 0.261 nan 8.290 nan 0.000 0.535 159 R N -0.301 120.243 120.500 0.073 0.000 2.334 159 R HA 0.207 4.548 4.340 0.001 0.000 0.216 159 R C -0.524 175.811 176.300 0.059 0.000 0.905 159 R CA 0.058 56.191 56.100 0.055 0.000 1.064 159 R CB 0.864 31.194 30.300 0.050 0.000 1.046 159 R HN 0.195 nan 8.270 nan 0.000 0.508 160 V N 1.663 121.629 119.914 0.086 0.000 2.443 160 V HA 0.343 4.464 4.120 0.001 0.000 0.293 160 V C -0.532 175.597 176.094 0.058 0.000 1.021 160 V CA -0.776 61.576 62.300 0.088 0.000 0.848 160 V CB 2.143 34.067 31.823 0.168 0.000 0.998 160 V HN -0.198 nan 8.190 nan 0.000 0.424 161 V N 3.360 123.294 119.914 0.033 0.000 2.623 161 V HA 0.790 4.911 4.120 0.001 0.000 0.304 161 V C 0.526 176.624 176.094 0.006 0.000 1.054 161 V CA -0.446 61.860 62.300 0.010 0.000 0.882 161 V CB 2.030 33.844 31.823 -0.014 0.000 1.002 161 V HN 0.894 nan 8.190 nan 0.000 0.424 162 G N 1.585 110.387 108.800 0.004 0.000 2.412 162 G HA2 0.477 4.437 3.960 0.001 0.000 0.318 162 G HA3 0.477 4.437 3.960 0.001 0.000 0.318 162 G C 0.964 175.842 174.900 -0.037 0.000 1.146 162 G CA 0.259 45.359 45.100 -0.001 0.000 0.882 162 G HN 0.901 nan 8.290 nan 0.000 0.501 163 S N 0.920 116.586 115.700 -0.056 0.000 2.382 163 S HA 0.082 4.553 4.470 0.001 0.000 0.228 163 S C 2.162 176.683 174.600 -0.131 0.000 1.027 163 S CA 1.183 59.327 58.200 -0.094 0.000 0.991 163 S CB -0.854 62.284 63.200 -0.103 0.000 0.823 163 S HN 2.194 nan 8.310 nan 0.000 0.469 164 G N 1.048 109.753 108.800 -0.158 0.000 2.634 164 G HA2 -0.382 3.579 3.960 0.001 0.000 0.318 164 G HA3 -0.382 3.579 3.960 0.001 0.000 0.318 164 G C 0.788 175.502 174.900 -0.309 0.000 1.207 164 G CA 0.959 45.962 45.100 -0.162 0.000 0.987 164 G HN 0.589 nan 8.290 nan 0.000 0.547 165 T N 1.603 116.093 114.554 -0.106 0.000 3.054 165 T HA 0.353 4.704 4.350 0.001 0.000 0.255 165 T C 2.310 177.018 174.700 0.013 0.000 1.035 165 T CA 0.873 62.968 62.100 -0.008 0.000 0.941 165 T CB -0.312 68.589 68.868 0.055 0.000 1.026 165 T HN 0.718 nan 8.240 nan 0.000 0.533 166 I N -0.869 119.693 120.570 -0.013 0.000 2.194 166 I HA -0.164 4.007 4.170 0.001 0.000 0.246 166 I C 1.858 178.008 176.117 0.055 0.000 1.093 166 I CA 1.506 62.836 61.300 0.051 0.000 1.355 166 I CB -0.534 37.501 38.000 0.058 0.000 1.046 166 I HN 0.110 nan 8.210 nan 0.000 0.413 167 L N 1.510 122.747 121.223 0.024 0.000 2.083 167 L HA -0.168 4.173 4.340 0.001 0.000 0.209 167 L C 2.199 179.117 176.870 0.081 0.000 1.083 167 L CA 1.800 56.672 54.840 0.053 0.000 0.752 167 L CB -1.243 40.849 42.059 0.055 0.000 0.899 167 L HN 0.344 nan 8.230 nan 0.000 0.433 168 D N -1.583 118.876 120.400 0.098 0.000 2.149 168 D HA -0.113 4.528 4.640 0.001 0.000 0.201 168 D C 2.086 178.451 176.300 0.108 0.000 0.972 168 D CA 1.352 55.412 54.000 0.100 0.000 0.835 168 D CB -0.188 40.676 40.800 0.107 0.000 0.966 168 D HN 0.251 nan 8.370 nan 0.000 0.476 169 T N 0.908 115.531 114.554 0.116 0.000 2.684 169 T HA -0.149 4.202 4.350 0.001 0.000 0.267 169 T C 2.020 176.781 174.700 0.102 0.000 1.036 169 T CA 1.682 63.870 62.100 0.145 0.000 1.148 169 T CB -0.239 68.722 68.868 0.155 0.000 0.863 169 T HN 0.208 nan 8.240 nan 0.000 0.436 170 A N 1.282 124.144 122.820 0.069 0.000 1.898 170 A HA -0.036 4.285 4.320 0.001 0.000 0.216 170 A C 2.257 179.866 177.584 0.041 0.000 1.181 170 A CA 1.783 53.839 52.037 0.031 0.000 0.620 170 A CB -0.503 18.518 19.000 0.036 0.000 0.819 170 A HN 0.324 nan 8.150 nan 0.000 0.442 171 R N -1.332 119.213 120.500 0.076 0.000 2.096 171 R HA -0.102 4.239 4.340 0.001 0.000 0.235 171 R C 1.758 178.139 176.300 0.136 0.000 1.127 171 R CA 1.510 57.663 56.100 0.088 0.000 0.968 171 R CB -0.716 29.638 30.300 0.090 0.000 0.861 171 R HN 0.462 nan 8.270 nan 0.000 0.440 172 F N 1.244 121.160 119.950 -0.058 0.000 2.102 172 F HA -0.109 4.418 4.527 0.001 0.000 0.298 172 F C 1.741 177.459 175.800 -0.137 0.000 1.105 172 F CA 1.607 59.536 58.000 -0.118 0.000 1.239 172 F CB -0.369 38.528 39.000 -0.171 0.000 0.991 172 F HN -0.027 nan 8.300 nan 0.000 0.474 173 R N 0.015 120.421 120.500 -0.156 0.000 2.096 173 R HA -0.114 4.226 4.340 0.001 0.000 0.235 173 R C 2.390 178.604 176.300 -0.142 0.000 1.127 173 R CA 1.296 57.241 56.100 -0.259 0.000 0.968 173 R CB -0.884 29.282 30.300 -0.222 0.000 0.861 173 R HN 0.349 nan 8.270 nan 0.000 0.440 174 A N 1.335 124.124 122.820 -0.052 0.000 1.898 174 A HA -0.083 4.238 4.320 0.001 0.000 0.216 174 A C 2.194 179.788 177.584 0.018 0.000 1.181 174 A CA 1.009 53.038 52.037 -0.013 0.000 0.620 174 A CB -0.443 18.565 19.000 0.012 0.000 0.819 174 A HN 0.155 nan 8.150 nan 0.000 0.442 175 L N -0.678 120.573 121.223 0.047 0.000 2.093 175 L HA -0.131 4.210 4.340 0.001 0.000 0.208 175 L C 2.428 179.355 176.870 0.095 0.000 1.085 175 L CA 0.813 55.710 54.840 0.095 0.000 0.755 175 L CB -0.458 41.689 42.059 0.148 0.000 0.904 175 L HN 0.353 nan 8.230 nan 0.000 0.435 176 L N -0.631 120.587 121.223 -0.008 0.000 2.156 176 L HA -0.102 4.239 4.340 0.001 0.000 0.208 176 L C 2.817 179.732 176.870 0.074 0.000 1.095 176 L CA 0.858 55.694 54.840 -0.008 0.000 0.770 176 L CB -0.629 41.278 42.059 -0.255 0.000 0.914 176 L HN 0.203 nan 8.230 nan 0.000 0.439 177 A N -0.011 122.818 122.820 0.014 0.000 1.930 177 A HA -0.180 4.141 4.320 0.001 0.000 0.217 177 A C 2.164 179.793 177.584 0.074 0.000 1.175 177 A CA 1.323 53.380 52.037 0.033 0.000 0.627 177 A CB -0.312 18.678 19.000 -0.017 0.000 0.815 177 A HN 0.407 nan 8.150 nan 0.000 0.443 178 E N -1.495 118.754 120.200 0.081 0.000 2.051 178 E HA -0.230 4.120 4.350 0.001 0.000 0.192 178 E C 1.883 178.552 176.600 0.114 0.000 0.991 178 E CA 1.582 58.033 56.400 0.085 0.000 0.799 178 E CB -0.357 29.396 29.700 0.088 0.000 0.748 178 E HN 0.788 nan 8.360 nan 0.000 0.449 179 Y N 1.177 121.508 120.300 0.052 0.000 2.181 179 Y HA -0.173 4.377 4.550 0.001 0.000 0.288 179 Y C 1.801 177.736 175.900 0.059 0.000 1.146 179 Y CA 1.422 59.559 58.100 0.062 0.000 1.164 179 Y CB 0.029 38.543 38.460 0.090 0.000 0.982 179 Y HN -0.059 nan 8.280 nan 0.000 0.515 180 L N -0.059 121.280 121.223 0.193 0.000 2.509 180 L HA 0.098 4.439 4.340 0.001 0.000 0.222 180 L C 0.462 177.368 176.870 0.060 0.000 1.123 180 L CA 0.403 55.324 54.840 0.135 0.000 0.856 180 L CB -0.202 42.066 42.059 0.348 0.000 0.985 180 L HN 0.080 nan 8.230 nan 0.000 0.456 181 R N 0.057 120.581 120.500 0.040 0.000 3.261 181 R HA -0.112 4.228 4.340 0.001 0.000 0.257 181 R C -0.782 175.554 176.300 0.059 0.000 1.014 181 R CA 0.538 56.653 56.100 0.025 0.000 0.681 181 R CB -2.180 28.110 30.300 -0.015 0.000 1.155 181 R HN 0.326 nan 8.270 nan 0.000 0.424 182 V N -4.224 115.732 119.914 0.070 0.000 3.160 182 V HA 0.946 5.067 4.120 0.001 0.000 0.310 182 V C 0.339 176.442 176.094 0.016 0.000 1.181 182 V CA -0.754 61.580 62.300 0.057 0.000 1.047 182 V CB 2.112 33.983 31.823 0.080 0.000 1.068 182 V HN 0.259 nan 8.190 nan 0.000 0.441 183 A N 1.222 124.039 122.820 -0.006 0.000 2.407 183 A HA 0.636 4.957 4.320 0.001 0.000 0.248 183 A C -1.436 176.120 177.584 -0.046 0.000 1.082 183 A CA -0.882 51.142 52.037 -0.022 0.000 0.785 183 A CB -0.132 18.852 19.000 -0.026 0.000 1.020 183 A HN 0.823 nan 8.150 nan 0.000 0.489 184 P HA -0.188 nan 4.420 nan 0.000 0.218 184 P C 1.403 178.634 177.300 -0.116 0.000 1.148 184 P CA 1.457 64.509 63.100 -0.079 0.000 0.822 184 P CB 0.124 31.787 31.700 -0.062 0.000 0.784 185 Q N -0.426 119.315 119.800 -0.099 0.000 2.364 185 Q HA -0.092 4.249 4.340 0.001 0.000 0.209 185 Q C 1.526 177.448 176.000 -0.131 0.000 0.977 185 Q CA 1.137 56.869 55.803 -0.118 0.000 0.885 185 Q CB -0.338 28.351 28.738 -0.082 0.000 0.941 185 Q HN 0.132 nan 8.270 nan 0.000 0.464 186 S N -0.624 115.005 115.700 -0.118 0.000 2.522 186 S HA 0.044 4.515 4.470 0.001 0.000 0.227 186 S C 0.178 174.679 174.600 -0.166 0.000 0.986 186 S CA 0.056 58.177 58.200 -0.131 0.000 0.929 186 S CB 0.498 63.618 63.200 -0.133 0.000 0.769 186 S HN 0.093 nan 8.310 nan 0.000 0.529 187 V N 2.038 121.836 119.914 -0.192 0.000 2.370 187 V HA 0.327 4.448 4.120 0.001 0.000 0.283 187 V C -0.726 175.189 176.094 -0.298 0.000 1.023 187 V CA -0.639 61.524 62.300 -0.228 0.000 0.857 187 V CB 1.044 32.726 31.823 -0.235 0.000 0.985 187 V HN 0.281 nan 8.190 nan 0.000 0.443 188 H N 3.210 122.095 119.070 -0.309 0.000 2.595 188 H HA 0.775 5.332 4.556 0.001 0.000 0.313 188 H C -0.009 175.031 175.328 -0.481 0.000 1.023 188 H CA 0.395 56.214 56.048 -0.383 0.000 1.218 188 H CB 1.324 30.896 29.762 -0.317 0.000 1.403 188 H HN 0.947 nan 8.280 nan 0.000 0.477 189 A N 3.377 125.880 122.820 -0.529 0.000 2.612 189 A HA 0.581 4.902 4.320 0.001 0.000 0.293 189 A C -2.072 175.249 177.584 -0.438 0.000 1.075 189 A CA -0.653 51.082 52.037 -0.503 0.000 0.680 189 A CB 1.094 19.682 19.000 -0.687 0.000 1.279 189 A HN 0.509 nan 8.150 nan 0.000 0.411 190 Y N -0.492 119.862 120.300 0.091 0.000 2.499 190 Y HA 0.607 5.158 4.550 0.001 0.000 0.347 190 Y C -0.078 175.900 175.900 0.129 0.000 0.987 190 Y CA -1.059 57.099 58.100 0.097 0.000 1.044 190 Y CB 2.310 40.800 38.460 0.049 0.000 1.245 190 Y HN 0.460 nan 8.280 nan 0.000 0.461 191 V N 4.562 124.623 119.914 0.246 0.000 2.459 191 V HA 0.528 4.649 4.120 0.001 0.000 0.295 191 V C -0.286 175.855 176.094 0.078 0.000 1.029 191 V CA -0.745 61.602 62.300 0.079 0.000 0.874 191 V CB 1.286 33.117 31.823 0.013 0.000 0.985 191 V HN 0.577 nan 8.190 nan 0.000 0.438 192 L N 3.354 124.600 121.223 0.038 0.000 2.279 192 L HA 0.972 5.313 4.340 0.001 0.000 0.262 192 L C 0.971 177.845 176.870 0.007 0.000 1.019 192 L CA -0.029 54.817 54.840 0.010 0.000 0.823 192 L CB 1.872 43.925 42.059 -0.010 0.000 1.358 192 L HN 0.874 nan 8.230 nan 0.000 0.432 193 G N 0.805 109.602 108.800 -0.004 0.000 2.520 193 G HA2 -0.232 3.728 3.960 0.001 0.000 0.248 193 G HA3 -0.232 3.728 3.960 0.001 0.000 0.248 193 G C -0.317 174.595 174.900 0.020 0.000 1.161 193 G CA 0.023 45.124 45.100 0.001 0.000 0.946 193 G HN 0.768 nan 8.290 nan 0.000 0.565 194 E N 1.062 121.276 120.200 0.023 0.000 2.316 194 E HA 0.198 4.549 4.350 0.001 0.000 0.275 194 E C 0.236 176.883 176.600 0.078 0.000 1.029 194 E CA -0.411 56.013 56.400 0.041 0.000 0.871 194 E CB 0.116 29.827 29.700 0.018 0.000 1.022 194 E HN 0.582 nan 8.360 nan 0.000 0.418 195 H N 4.373 123.440 119.070 -0.004 0.000 3.330 195 H HA 0.230 4.787 4.556 0.001 0.000 0.260 195 H C -0.113 175.217 175.328 0.004 0.000 1.439 195 H CA 0.592 56.641 56.048 0.001 0.000 1.540 195 H CB -0.400 29.366 29.762 0.005 0.000 1.698 195 H HN 0.720 nan 8.280 nan 0.000 0.516 196 G N 3.643 112.355 108.800 -0.147 0.000 2.367 196 G HA2 -0.174 3.787 3.960 0.001 0.000 0.272 196 G HA3 -0.174 3.787 3.960 0.001 0.000 0.272 196 G C -0.043 174.808 174.900 -0.082 0.000 1.271 196 G CA -0.224 44.778 45.100 -0.163 0.000 0.893 196 G HN 0.389 nan 8.290 nan 0.000 0.485 197 D N 0.257 120.617 120.400 -0.067 0.000 2.149 197 D HA -0.102 4.538 4.640 0.001 0.000 0.198 197 D C 2.675 178.950 176.300 -0.041 0.000 0.990 197 D CA 2.152 56.119 54.000 -0.054 0.000 0.839 197 D CB -0.107 40.662 40.800 -0.052 0.000 0.948 197 D HN 0.478 nan 8.370 nan 0.000 0.460 198 S N 0.219 115.901 115.700 -0.030 0.000 2.593 198 S HA -0.048 4.422 4.470 0.001 0.000 0.217 198 S C 0.671 175.262 174.600 -0.015 0.000 0.966 198 S CA -0.403 57.785 58.200 -0.019 0.000 0.914 198 S CB -0.427 62.765 63.200 -0.012 0.000 0.776 198 S HN 0.365 nan 8.310 nan 0.000 0.523 199 E N 1.143 121.333 120.200 -0.018 0.000 2.436 199 E HA 0.178 4.529 4.350 0.001 0.000 0.262 199 E C -0.963 175.622 176.600 -0.024 0.000 1.063 199 E CA -0.485 55.908 56.400 -0.012 0.000 0.944 199 E CB 0.513 30.211 29.700 -0.004 0.000 0.950 199 E HN 0.115 nan 8.360 nan 0.000 0.444 200 V N 3.532 123.435 119.914 -0.018 0.000 2.334 200 V HA 0.136 4.257 4.120 0.001 0.000 0.281 200 V C -0.248 175.813 176.094 -0.055 0.000 1.016 200 V CA -0.915 61.377 62.300 -0.015 0.000 0.832 200 V CB 0.702 32.535 31.823 0.017 0.000 0.999 200 V HN 0.516 nan 8.190 nan 0.000 0.439 201 L N 5.620 126.761 121.223 -0.138 0.000 2.418 201 L HA 0.202 4.543 4.340 0.001 0.000 0.274 201 L C 0.424 177.241 176.870 -0.088 0.000 1.135 201 L CA 0.530 55.153 54.840 -0.363 0.000 0.870 201 L CB 1.166 42.745 42.059 -0.800 0.000 1.154 201 L HN 0.469 nan 8.230 nan 0.000 0.462 202 V N 4.477 124.418 119.914 0.045 0.000 2.153 202 V HA -0.002 4.118 4.120 0.001 0.000 0.250 202 V C 0.677 176.881 176.094 0.183 0.000 1.334 202 V CA -0.281 62.113 62.300 0.157 0.000 1.249 202 V CB -0.906 31.032 31.823 0.193 0.000 1.371 202 V HN 0.823 nan 8.190 nan 0.000 0.498 203 W N 1.987 123.424 121.300 0.227 0.000 2.358 203 W HA -0.203 4.457 4.660 0.001 0.000 0.303 203 W C 2.781 179.368 176.519 0.114 0.000 1.208 203 W CA 1.639 59.105 57.345 0.201 0.000 1.274 203 W CB -0.410 29.139 29.460 0.149 0.000 1.138 203 W HN 0.653 nan 8.180 nan 0.000 0.515 204 S N 0.041 115.929 115.700 0.314 0.000 2.370 204 S HA -0.205 4.265 4.470 0.001 0.000 0.226 204 S C 1.595 176.283 174.600 0.146 0.000 1.033 204 S CA 1.668 59.988 58.200 0.200 0.000 1.011 204 S CB -1.047 62.244 63.200 0.151 0.000 0.852 204 S HN 0.168 nan 8.310 nan 0.000 0.457 205 S N 0.731 116.509 115.700 0.129 0.000 2.601 205 S HA 0.729 5.200 4.470 0.001 0.000 0.244 205 S C 0.310 174.939 174.600 0.047 0.000 1.001 205 S CA -0.250 58.001 58.200 0.086 0.000 0.984 205 S CB 0.048 63.301 63.200 0.089 0.000 0.842 205 S HN 0.770 nan 8.310 nan 0.000 0.474 206 A N 2.070 124.913 122.820 0.039 0.000 2.477 206 A HA 0.526 4.847 4.320 0.001 0.000 0.246 206 A C 0.302 177.856 177.584 -0.050 0.000 1.078 206 A CA -0.149 51.853 52.037 -0.057 0.000 0.770 206 A CB 0.277 19.196 19.000 -0.136 0.000 1.011 206 A HN 0.506 nan 8.150 nan 0.000 0.494 207 Q N 1.095 120.839 119.800 -0.093 0.000 2.348 207 Q HA 0.567 4.908 4.340 0.001 0.000 0.271 207 Q C -0.174 175.742 176.000 -0.140 0.000 1.067 207 Q CA -0.683 55.065 55.803 -0.092 0.000 0.839 207 Q CB 1.896 30.570 28.738 -0.106 0.000 1.354 207 Q HN 0.473 nan 8.270 nan 0.000 0.447 208 V N -0.214 119.575 119.914 -0.208 0.000 3.332 208 V HA 0.086 4.207 4.120 0.001 0.000 0.263 208 V C -1.869 173.945 176.094 -0.467 0.000 1.562 208 V CA -0.198 61.881 62.300 -0.369 0.000 1.040 208 V CB 0.313 31.823 31.823 -0.521 0.000 0.857 208 V HN 0.531 nan 8.190 nan 0.000 0.428 209 P HA 0.003 nan 4.420 nan 0.000 0.282 209 P C 1.474 178.838 177.300 0.107 0.000 1.294 209 P CA 0.141 63.276 63.100 0.057 0.000 0.852 209 P CB 0.095 31.834 31.700 0.065 0.000 1.287 210 L N -1.890 119.432 121.223 0.164 0.000 3.051 210 L HA -0.386 3.955 4.340 0.001 0.000 0.201 210 L C 2.072 179.016 176.870 0.124 0.000 1.414 210 L CA 2.548 57.471 54.840 0.137 0.000 0.780 210 L CB -1.788 40.334 42.059 0.105 0.000 1.116 210 L HN 0.429 nan 8.230 nan 0.000 0.432 211 E N -0.953 119.321 120.200 0.123 0.000 2.058 211 E HA -0.222 4.129 4.350 0.001 0.000 0.194 211 E C 1.746 178.426 176.600 0.134 0.000 0.997 211 E CA 1.778 58.243 56.400 0.108 0.000 0.801 211 E CB -0.416 29.344 29.700 0.101 0.000 0.746 211 E HN 0.608 nan 8.360 nan 0.000 0.450 212 F N 0.680 120.653 119.950 0.039 0.000 2.216 212 F HA -0.113 4.415 4.527 0.001 0.000 0.300 212 F C 2.008 177.841 175.800 0.055 0.000 1.085 212 F CA 1.313 59.335 58.000 0.037 0.000 1.326 212 F CB -0.306 38.711 39.000 0.029 0.000 1.027 212 F HN 0.022 nan 8.300 nan 0.000 0.497 213 A N -0.074 122.794 122.820 0.080 0.000 1.898 213 A HA -0.183 4.138 4.320 0.001 0.000 0.216 213 A C 2.278 179.837 177.584 -0.043 0.000 1.181 213 A CA 1.658 53.719 52.037 0.040 0.000 0.620 213 A CB -0.868 18.260 19.000 0.213 0.000 0.819 213 A HN 0.424 nan 8.150 nan 0.000 0.442 214 E N 0.177 120.372 120.200 -0.008 0.000 2.106 214 E HA -0.107 4.244 4.350 0.001 0.000 0.192 214 E C 2.200 178.757 176.600 -0.073 0.000 0.984 214 E CA 1.116 57.504 56.400 -0.019 0.000 0.806 214 E CB -0.266 29.440 29.700 0.010 0.000 0.750 214 E HN 0.485 nan 8.360 nan 0.000 0.458 215 A N 1.252 124.001 122.820 -0.117 0.000 1.930 215 A HA -0.107 4.214 4.320 0.001 0.000 0.217 215 A C 1.972 179.426 177.584 -0.216 0.000 1.175 215 A CA 0.858 52.809 52.037 -0.142 0.000 0.627 215 A CB -0.259 18.667 19.000 -0.122 0.000 0.815 215 A HN 0.050 nan 8.150 nan 0.000 0.443 216 R N -0.558 119.729 120.500 -0.355 0.000 2.328 216 R HA 0.094 4.435 4.340 0.001 0.000 0.200 216 R C 0.941 177.129 176.300 -0.186 0.000 0.983 216 R CA 0.610 56.516 56.100 -0.324 0.000 1.062 216 R CB -0.956 29.058 30.300 -0.477 0.000 0.956 216 R HN 0.776 nan 8.270 nan 0.000 0.479 217 G N 1.980 110.700 108.800 -0.133 0.000 2.353 217 G HA2 -0.303 3.658 3.960 0.001 0.000 0.294 217 G HA3 -0.303 3.658 3.960 0.001 0.000 0.294 217 G C -0.043 174.820 174.900 -0.062 0.000 1.077 217 G CA 0.073 45.126 45.100 -0.079 0.000 1.098 217 G HN 0.376 nan 8.290 nan 0.000 0.511 218 R N -0.602 119.883 120.500 -0.025 0.000 2.714 218 R HA 0.441 4.782 4.340 0.001 0.000 0.214 218 R C 0.566 176.982 176.300 0.195 0.000 1.474 218 R CA -0.071 56.057 56.100 0.047 0.000 1.435 218 R CB 0.311 30.560 30.300 -0.085 0.000 1.517 218 R HN 0.936 nan 8.270 nan 0.000 0.748 219 A N 1.601 124.491 122.820 0.117 0.000 2.540 219 A HA 0.140 4.460 4.320 0.001 0.000 0.239 219 A C 0.366 178.016 177.584 0.110 0.000 1.061 219 A CA -0.071 52.026 52.037 0.102 0.000 0.758 219 A CB 0.192 19.220 19.000 0.045 0.000 0.991 219 A HN 0.311 nan 8.150 nan 0.000 0.502 220 L N 3.411 124.649 121.223 0.024 0.000 2.565 220 L HA 0.099 4.440 4.340 0.001 0.000 0.275 220 L C 1.241 178.040 176.870 -0.119 0.000 1.137 220 L CA 0.699 55.460 54.840 -0.130 0.000 0.915 220 L CB -0.777 41.159 42.059 -0.206 0.000 1.232 220 L HN 0.861 nan 8.230 nan 0.000 0.473 221 S N 5.117 120.771 115.700 -0.077 0.000 2.579 221 S HA 0.236 4.707 4.470 0.001 0.000 0.275 221 S C -1.572 172.948 174.600 -0.134 0.000 1.345 221 S CA -0.955 57.202 58.200 -0.072 0.000 1.031 221 S CB 0.435 63.622 63.200 -0.021 0.000 0.892 221 S HN 0.471 nan 8.310 nan 0.000 0.529 222 P HA -0.105 nan 4.420 nan 0.000 0.217 222 P C 0.902 178.124 177.300 -0.131 0.000 1.148 222 P CA 1.322 64.332 63.100 -0.150 0.000 0.828 222 P CB -0.022 31.615 31.700 -0.104 0.000 0.783 223 E N -0.783 119.367 120.200 -0.082 0.000 2.107 223 E HA -0.143 4.208 4.350 0.001 0.000 0.191 223 E C 1.748 178.320 176.600 -0.048 0.000 0.982 223 E CA 0.996 57.366 56.400 -0.050 0.000 0.809 223 E CB -0.748 28.941 29.700 -0.019 0.000 0.756 223 E HN 0.260 nan 8.360 nan 0.000 0.459 224 D N 0.637 120.995 120.400 -0.069 0.000 2.078 224 D HA -0.125 4.516 4.640 0.001 0.000 0.193 224 D C 1.956 178.193 176.300 -0.105 0.000 0.990 224 D CA 1.000 54.949 54.000 -0.084 0.000 0.827 224 D CB -0.230 40.455 40.800 -0.191 0.000 0.975 224 D HN 0.071 nan 8.370 nan 0.000 0.451 225 R N 0.599 120.945 120.500 -0.257 0.000 2.103 225 R HA -0.144 4.196 4.340 0.001 0.000 0.242 225 R C 2.281 178.506 176.300 -0.126 0.000 1.142 225 R CA 1.421 57.266 56.100 -0.425 0.000 0.960 225 R CB -0.303 29.530 30.300 -0.778 0.000 0.858 225 R HN 0.124 nan 8.270 nan 0.000 0.439 226 A N 0.939 123.695 122.820 -0.106 0.000 1.898 226 A HA -0.183 4.138 4.320 0.001 0.000 0.216 226 A C 2.130 179.727 177.584 0.021 0.000 1.181 226 A CA 1.381 53.394 52.037 -0.040 0.000 0.620 226 A CB -0.455 18.515 19.000 -0.049 0.000 0.819 226 A HN 0.267 nan 8.150 nan 0.000 0.442 227 R N -0.445 120.074 120.500 0.033 0.000 2.092 227 R HA -0.031 4.310 4.340 0.001 0.000 0.231 227 R C 1.871 178.234 176.300 0.104 0.000 1.119 227 R CA 1.563 57.700 56.100 0.061 0.000 0.970 227 R CB -0.349 29.988 30.300 0.062 0.000 0.864 227 R HN 0.517 nan 8.270 nan 0.000 0.440 228 I N 1.092 121.760 120.570 0.164 0.000 2.202 228 I HA -0.267 3.904 4.170 0.001 0.000 0.242 228 I C 2.369 178.615 176.117 0.216 0.000 1.091 228 I CA 1.451 62.901 61.300 0.250 0.000 1.368 228 I CB -0.428 37.834 38.000 0.436 0.000 1.058 228 I HN 0.337 nan 8.210 nan 0.000 0.410 229 D N 0.893 121.430 120.400 0.229 0.000 2.106 229 D HA -0.302 4.339 4.640 0.001 0.000 0.191 229 D C 1.974 178.302 176.300 0.047 0.000 0.997 229 D CA 1.991 56.059 54.000 0.114 0.000 0.834 229 D CB 0.062 40.933 40.800 0.117 0.000 0.956 229 D HN 0.316 nan 8.370 nan 0.000 0.448 230 E N 0.049 120.280 120.200 0.052 0.000 2.038 230 E HA -0.128 4.222 4.350 0.001 0.000 0.195 230 E C 2.167 178.794 176.600 0.045 0.000 1.000 230 E CA 2.163 58.582 56.400 0.032 0.000 0.803 230 E CB -1.006 28.713 29.700 0.031 0.000 0.750 230 E HN 0.331 nan 8.360 nan 0.000 0.448 231 G N -0.023 108.818 108.800 0.069 0.000 2.469 231 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 231 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 231 G C 1.679 176.619 174.900 0.066 0.000 1.150 231 G CA 1.308 46.454 45.100 0.076 0.000 0.763 231 G HN 0.271 nan 8.290 nan 0.000 0.561 232 V N 0.288 120.233 119.914 0.052 0.000 2.300 232 V HA -0.004 4.117 4.120 0.001 0.000 0.241 232 V C 2.693 178.793 176.094 0.011 0.000 1.034 232 V CA 1.819 64.135 62.300 0.026 0.000 1.021 232 V CB -0.427 31.370 31.823 -0.044 0.000 0.662 232 V HN 0.378 nan 8.190 nan 0.000 0.458 233 R N -0.077 120.415 120.500 -0.013 0.000 2.148 233 R HA -0.041 4.300 4.340 0.001 0.000 0.227 233 R C 2.030 178.326 176.300 -0.006 0.000 1.103 233 R CA 1.130 57.216 56.100 -0.024 0.000 0.983 233 R CB 0.038 30.314 30.300 -0.040 0.000 0.874 233 R HN 0.263 nan 8.270 nan 0.000 0.451 234 R N -0.476 120.035 120.500 0.018 0.000 2.509 234 R HA 0.203 4.544 4.340 0.001 0.000 0.300 234 R C 1.225 177.590 176.300 0.109 0.000 0.985 234 R CA 0.412 56.543 56.100 0.052 0.000 1.092 234 R CB 0.894 31.203 30.300 0.015 0.000 1.237 234 R HN 0.192 nan 8.270 nan 0.000 0.546 235 A N 1.040 123.906 122.820 0.077 0.000 1.845 235 A HA -0.153 4.168 4.320 0.001 0.000 0.215 235 A C 2.257 179.886 177.584 0.074 0.000 1.195 235 A CA 1.900 53.982 52.037 0.075 0.000 0.616 235 A CB -0.477 18.562 19.000 0.065 0.000 0.832 235 A HN 0.329 nan 8.150 nan 0.000 0.443 236 A N -1.636 121.224 122.820 0.067 0.000 1.940 236 A HA -0.150 4.171 4.320 0.001 0.000 0.219 236 A C 2.139 179.755 177.584 0.053 0.000 1.176 236 A CA 1.822 53.888 52.037 0.047 0.000 0.631 236 A CB -0.885 18.124 19.000 0.014 0.000 0.814 236 A HN 0.789 nan 8.150 nan 0.000 0.446 237 Y N 0.717 121.003 120.300 -0.024 0.000 2.097 237 Y HA -0.281 4.270 4.550 0.002 0.000 0.282 237 Y C 2.513 178.408 175.900 -0.008 0.000 1.152 237 Y CA 2.338 60.427 58.100 -0.019 0.000 1.136 237 Y CB -0.335 38.113 38.460 -0.020 0.000 0.975 237 Y HN 0.290 nan 8.280 nan 0.000 0.498 238 R N 0.023 120.550 120.500 0.044 0.000 2.091 238 R HA -0.162 4.179 4.340 0.001 0.000 0.238 238 R C 2.281 178.526 176.300 -0.091 0.000 1.136 238 R CA 2.108 58.186 56.100 -0.037 0.000 0.959 238 R CB -0.614 29.722 30.300 0.060 0.000 0.856 238 R HN 0.408 nan 8.270 nan 0.000 0.437 239 I N 0.556 121.094 120.570 -0.054 0.000 2.208 239 I HA -0.292 3.878 4.170 0.001 0.000 0.245 239 I C 2.243 178.305 176.117 -0.091 0.000 1.097 239 I CA 1.413 62.676 61.300 -0.061 0.000 1.363 239 I CB -0.204 37.768 38.000 -0.048 0.000 1.051 239 I HN 0.139 nan 8.210 nan 0.000 0.413 240 I N 0.026 120.523 120.570 -0.122 0.000 2.252 240 I HA -0.213 3.958 4.170 0.001 0.000 0.245 240 I C 2.538 178.554 176.117 -0.169 0.000 1.102 240 I CA 1.039 62.263 61.300 -0.128 0.000 1.385 240 I CB -0.350 37.574 38.000 -0.127 0.000 1.064 240 I HN 0.188 nan 8.210 nan 0.000 0.414 241 E N 0.819 120.848 120.200 -0.286 0.000 2.118 241 E HA -0.176 4.174 4.350 0.001 0.000 0.195 241 E C 2.189 178.711 176.600 -0.131 0.000 0.992 241 E CA 1.525 57.772 56.400 -0.255 0.000 0.804 241 E CB -0.447 29.032 29.700 -0.368 0.000 0.741 241 E HN 0.555 nan 8.360 nan 0.000 0.458 242 G N 1.042 109.780 108.800 -0.104 0.000 2.494 242 G HA2 -0.180 3.781 3.960 0.001 0.000 0.216 242 G HA3 -0.180 3.781 3.960 0.001 0.000 0.216 242 G C 1.387 176.267 174.900 -0.033 0.000 1.140 242 G CA 0.929 45.997 45.100 -0.054 0.000 0.801 242 G HN 0.339 nan 8.290 nan 0.000 0.536 243 K N -2.087 118.292 120.400 -0.036 0.000 2.585 243 K HA 0.411 4.732 4.320 0.001 0.000 0.210 243 K C 1.272 177.877 176.600 0.009 0.000 1.294 243 K CA 0.759 57.043 56.287 -0.006 0.000 1.025 243 K CB 0.564 33.063 32.500 -0.001 0.000 1.076 243 K HN 0.454 nan 8.250 nan 0.000 0.613 244 G N 0.590 109.380 108.800 -0.016 0.000 2.258 244 G HA2 -0.129 3.832 3.960 0.001 0.000 0.233 244 G HA3 -0.129 3.832 3.960 0.001 0.000 0.233 244 G C 0.173 175.082 174.900 0.015 0.000 1.006 244 G CA -0.058 45.039 45.100 -0.005 0.000 0.620 244 G HN 0.935 nan 8.290 nan 0.000 0.511 245 A N -1.348 121.497 122.820 0.042 0.000 2.586 245 A HA 0.902 5.222 4.320 0.001 0.000 0.291 245 A C -0.196 177.411 177.584 0.040 0.000 1.062 245 A CA 0.752 52.832 52.037 0.072 0.000 0.666 245 A CB 0.473 19.551 19.000 0.129 0.000 1.281 245 A HN 1.824 nan 8.150 nan 0.000 0.421 246 T N -1.326 113.253 114.554 0.041 0.000 2.902 246 T HA 0.716 5.066 4.350 0.001 0.000 0.283 246 T C 0.046 174.770 174.700 0.040 0.000 1.009 246 T CA 0.454 62.514 62.100 -0.067 0.000 1.051 246 T CB 1.019 69.888 68.868 0.002 0.000 0.999 246 T HN 1.789 nan 8.240 nan 0.000 0.474 247 Y N -1.743 118.513 120.300 -0.074 0.000 2.525 247 Y HA 0.213 4.764 4.550 0.001 0.000 0.300 247 Y C 1.446 177.341 175.900 -0.010 0.000 0.988 247 Y CA -0.764 57.283 58.100 -0.088 0.000 0.937 247 Y CB -0.469 37.882 38.460 -0.182 0.000 1.400 247 Y HN 0.462 nan 8.280 nan 0.000 0.572 248 Y N 2.513 122.714 120.300 -0.164 0.000 2.128 248 Y HA -0.013 4.537 4.550 0.001 0.000 0.284 248 Y C 2.690 178.595 175.900 0.008 0.000 1.154 248 Y CA 1.696 59.782 58.100 -0.022 0.000 1.149 248 Y CB -1.074 37.321 38.460 -0.109 0.000 0.976 248 Y HN 0.398 nan 8.280 nan 0.000 0.505 249 G N -0.067 108.810 108.800 0.130 0.000 2.511 249 G HA2 -0.278 3.682 3.960 0.001 0.000 0.216 249 G HA3 -0.278 3.682 3.960 0.001 0.000 0.216 249 G C 1.855 176.802 174.900 0.078 0.000 1.218 249 G CA 1.010 46.163 45.100 0.088 0.000 0.788 249 G HN 0.451 nan 8.290 nan 0.000 0.560 250 I N 1.264 121.876 120.570 0.069 0.000 2.335 250 I HA -0.107 4.064 4.170 0.001 0.000 0.251 250 I C 2.770 178.921 176.117 0.056 0.000 1.129 250 I CA 1.296 62.625 61.300 0.048 0.000 1.402 250 I CB -0.318 37.708 38.000 0.042 0.000 1.069 250 I HN 0.243 nan 8.210 nan 0.000 0.424 251 G N 0.170 109.030 108.800 0.100 0.000 2.440 251 G HA2 -0.288 3.673 3.960 0.001 0.000 0.218 251 G HA3 -0.288 3.673 3.960 0.001 0.000 0.218 251 G C 1.676 176.620 174.900 0.074 0.000 1.154 251 G CA 0.773 45.936 45.100 0.104 0.000 0.767 251 G HN 0.553 nan 8.290 nan 0.000 0.552 252 A N 0.512 123.378 122.820 0.078 0.000 1.975 252 A HA 0.335 4.656 4.320 0.001 0.000 0.215 252 A C 2.648 180.245 177.584 0.022 0.000 1.170 252 A CA 1.653 53.719 52.037 0.048 0.000 0.656 252 A CB -0.752 18.279 19.000 0.052 0.000 0.821 252 A HN 0.462 nan 8.150 nan 0.000 0.449 253 G N 0.149 108.961 108.800 0.021 0.000 2.421 253 G HA2 -0.173 3.788 3.960 0.001 0.000 0.216 253 G HA3 -0.173 3.788 3.960 0.001 0.000 0.216 253 G C 1.549 176.423 174.900 -0.042 0.000 1.171 253 G CA 1.047 46.146 45.100 -0.002 0.000 0.775 253 G HN 0.401 nan 8.290 nan 0.000 0.543 254 L N 0.719 121.921 121.223 -0.033 0.000 2.042 254 L HA -0.093 4.248 4.340 0.001 0.000 0.210 254 L C 3.414 180.247 176.870 -0.062 0.000 1.076 254 L CA 1.069 55.877 54.840 -0.054 0.000 0.749 254 L CB -0.343 41.697 42.059 -0.031 0.000 0.893 254 L HN 0.315 nan 8.230 nan 0.000 0.432 255 A N -0.233 122.565 122.820 -0.035 0.000 1.972 255 A HA -0.252 4.068 4.320 0.001 0.000 0.219 255 A C 2.315 179.865 177.584 -0.056 0.000 1.169 255 A CA 1.743 53.758 52.037 -0.038 0.000 0.635 255 A CB -0.448 18.542 19.000 -0.016 0.000 0.810 255 A HN 0.262 nan 8.150 nan 0.000 0.446 256 R N 0.009 120.474 120.500 -0.059 0.000 2.075 256 R HA 0.025 4.366 4.340 0.001 0.000 0.232 256 R C 1.907 178.100 176.300 -0.179 0.000 1.126 256 R CA 1.406 57.464 56.100 -0.071 0.000 0.963 256 R CB -0.703 29.585 30.300 -0.020 0.000 0.858 256 R HN 0.548 nan 8.270 nan 0.000 0.435 257 L N -0.663 120.411 121.223 -0.249 0.000 2.027 257 L HA -0.153 4.188 4.340 0.001 0.000 0.206 257 L C 2.252 179.003 176.870 -0.199 0.000 1.074 257 L CA 1.136 55.772 54.840 -0.340 0.000 0.745 257 L CB -0.604 41.285 42.059 -0.284 0.000 0.898 257 L HN 0.037 nan 8.230 nan 0.000 0.433 258 V N 0.189 120.026 119.914 -0.129 0.000 2.287 258 V HA -0.345 3.776 4.120 0.001 0.000 0.248 258 V C 2.733 178.784 176.094 -0.072 0.000 1.053 258 V CA 2.220 64.468 62.300 -0.087 0.000 1.027 258 V CB -0.720 31.062 31.823 -0.068 0.000 0.646 258 V HN 0.495 nan 8.190 nan 0.000 0.447 259 R N 0.414 120.873 120.500 -0.070 0.000 2.080 259 R HA -0.213 4.128 4.340 0.001 0.000 0.236 259 R C 2.343 178.624 176.300 -0.032 0.000 1.137 259 R CA 1.970 58.044 56.100 -0.044 0.000 0.943 259 R CB -0.653 29.628 30.300 -0.033 0.000 0.846 259 R HN 0.445 nan 8.270 nan 0.000 0.431 260 A N 1.132 123.923 122.820 -0.049 0.000 1.915 260 A HA -0.227 4.094 4.320 0.001 0.000 0.220 260 A C 2.225 179.800 177.584 -0.014 0.000 1.198 260 A CA 2.081 54.110 52.037 -0.014 0.000 0.647 260 A CB -0.688 18.258 19.000 -0.090 0.000 0.825 260 A HN 0.466 nan 8.150 nan 0.000 0.456 261 I N -0.584 119.960 120.570 -0.044 0.000 2.286 261 I HA -0.204 3.967 4.170 0.001 0.000 0.245 261 I C 2.315 178.422 176.117 -0.016 0.000 1.104 261 I CA 0.918 62.201 61.300 -0.029 0.000 1.397 261 I CB -0.296 37.679 38.000 -0.041 0.000 1.072 261 I HN 0.285 nan 8.210 nan 0.000 0.417 262 L N 0.272 121.482 121.223 -0.021 0.000 2.083 262 L HA -0.158 4.183 4.340 0.001 0.000 0.209 262 L C 2.447 179.315 176.870 -0.004 0.000 1.083 262 L CA 1.876 56.709 54.840 -0.013 0.000 0.752 262 L CB -0.965 41.084 42.059 -0.018 0.000 0.899 262 L HN 0.435 nan 8.230 nan 0.000 0.433 263 T N -5.317 109.237 114.554 -0.000 0.000 3.086 263 T HA 0.029 4.380 4.350 0.001 0.000 0.250 263 T C 0.577 175.286 174.700 0.015 0.000 1.074 263 T CA 0.086 62.191 62.100 0.008 0.000 0.988 263 T CB -0.033 68.841 68.868 0.010 0.000 0.988 263 T HN 0.242 nan 8.240 nan 0.000 0.530 264 D N 1.487 121.896 120.400 0.015 0.000 2.737 264 D HA -0.186 4.455 4.640 0.001 0.000 0.238 264 D C 0.616 176.935 176.300 0.031 0.000 1.157 264 D CA 0.831 54.844 54.000 0.021 0.000 0.694 264 D CB -1.370 39.440 40.800 0.017 0.000 1.021 264 D HN 0.720 nan 8.370 nan 0.000 0.420 265 E N 0.917 121.144 120.200 0.046 0.000 2.107 265 E HA -0.129 4.222 4.350 0.001 0.000 0.191 265 E C 0.632 177.270 176.600 0.063 0.000 0.982 265 E CA 1.053 57.490 56.400 0.062 0.000 0.809 265 E CB 0.071 29.832 29.700 0.102 0.000 0.756 265 E HN 0.472 nan 8.360 nan 0.000 0.459 266 K N -0.313 120.129 120.400 0.071 0.000 3.071 266 K HA -0.160 4.160 4.320 0.001 0.000 0.265 266 K C -0.069 176.572 176.600 0.070 0.000 1.060 266 K CA 0.157 56.482 56.287 0.064 0.000 0.767 266 K CB -1.911 30.612 32.500 0.039 0.000 1.241 266 K HN 0.304 nan 8.250 nan 0.000 0.486 267 G N -0.005 108.871 108.800 0.126 0.000 2.507 267 G HA2 0.462 4.423 3.960 0.001 0.000 0.271 267 G HA3 0.462 4.423 3.960 0.001 0.000 0.271 267 G C -0.134 174.764 174.900 -0.003 0.000 1.189 267 G CA -0.669 44.464 45.100 0.054 0.000 0.859 267 G HN 0.063 nan 8.290 nan 0.000 0.542 268 V N 1.562 121.348 119.914 -0.214 0.000 2.364 268 V HA 0.367 4.488 4.120 0.001 0.000 0.272 268 V C -0.944 174.933 176.094 -0.362 0.000 1.036 268 V CA -0.224 61.985 62.300 -0.153 0.000 0.880 268 V CB -0.175 31.634 31.823 -0.024 0.000 0.991 268 V HN 0.571 nan 8.190 nan 0.000 0.460 269 Y N 1.427 121.739 120.300 0.019 0.000 2.457 269 Y HA 0.383 4.934 4.550 0.001 0.000 0.343 269 Y C 0.783 176.669 175.900 -0.024 0.000 0.994 269 Y CA -1.094 57.016 58.100 0.016 0.000 1.031 269 Y CB 2.110 40.568 38.460 -0.004 0.000 1.246 269 Y HN 0.620 nan 8.280 nan 0.000 0.449 270 T N 0.731 115.370 114.554 0.143 0.000 3.842 270 T HA 0.442 4.793 4.350 0.001 0.000 0.267 270 T C -0.149 174.573 174.700 0.036 0.000 1.173 270 T CA -0.465 61.657 62.100 0.037 0.000 1.142 270 T CB -1.636 67.270 68.868 0.063 0.000 1.191 270 T HN 0.460 nan 8.240 nan 0.000 0.895 271 V N -0.176 119.749 119.914 0.018 0.000 2.994 271 V HA 0.795 4.916 4.120 0.001 0.000 0.318 271 V C 0.306 176.382 176.094 -0.030 0.000 1.085 271 V CA -1.226 61.069 62.300 -0.009 0.000 0.998 271 V CB 1.640 33.455 31.823 -0.012 0.000 1.063 271 V HN 0.552 nan 8.190 nan 0.000 0.447 272 S N 1.180 116.863 115.700 -0.029 0.000 2.537 272 S HA 0.826 5.296 4.470 0.001 0.000 0.275 272 S C -0.154 174.433 174.600 -0.021 0.000 1.272 272 S CA 0.378 58.563 58.200 -0.024 0.000 1.050 272 S CB 0.375 63.569 63.200 -0.010 0.000 0.961 272 S HN 1.949 nan 8.310 nan 0.000 0.496 273 A N 3.552 126.352 122.820 -0.034 0.000 2.601 273 A HA 0.601 4.922 4.320 0.001 0.000 0.291 273 A C -1.113 176.439 177.584 -0.054 0.000 1.075 273 A CA -0.830 51.187 52.037 -0.032 0.000 0.671 273 A CB 0.413 19.391 19.000 -0.035 0.000 1.277 273 A HN 0.872 nan 8.150 nan 0.000 0.417 274 F N 1.827 121.613 119.950 -0.273 0.000 2.578 274 F HA 0.467 4.995 4.527 0.001 0.000 0.381 274 F C 0.825 176.499 175.800 -0.211 0.000 1.069 274 F CA 1.608 59.401 58.000 -0.344 0.000 1.231 274 F CB 0.684 39.179 39.000 -0.843 0.000 1.086 274 F HN 0.667 nan 8.300 nan 0.000 0.564 275 T N 6.893 120.977 114.554 -0.784 0.000 2.881 275 T HA 0.444 4.795 4.350 0.001 0.000 0.290 275 T C -2.125 172.163 174.700 -0.685 0.000 1.000 275 T CA -2.054 59.714 62.100 -0.553 0.000 0.978 275 T CB 1.935 70.650 68.868 -0.255 0.000 0.997 275 T HN 0.347 nan 8.240 nan 0.000 0.443 276 P HA -0.037 nan 4.420 nan 0.000 0.213 276 P C -0.110 177.082 177.300 -0.180 0.000 1.170 276 P CA 1.331 64.275 63.100 -0.260 0.000 0.902 276 P CB 0.135 31.792 31.700 -0.073 0.000 0.789 277 E N -2.048 118.080 120.200 -0.120 0.000 2.383 277 E HA 0.569 4.920 4.350 0.001 0.000 0.275 277 E C -1.761 174.807 176.600 -0.053 0.000 0.918 277 E CA -1.269 55.082 56.400 -0.080 0.000 0.764 277 E CB 1.884 31.555 29.700 -0.049 0.000 1.252 277 E HN -0.144 nan 8.360 nan 0.000 0.449 278 V N 2.068 121.956 119.914 -0.044 0.000 2.697 278 V HA 0.601 4.722 4.120 0.001 0.000 0.296 278 V C -0.250 175.834 176.094 -0.016 0.000 1.140 278 V CA 0.216 62.507 62.300 -0.016 0.000 0.921 278 V CB 0.847 32.657 31.823 -0.022 0.000 1.036 278 V HN 1.743 nan 8.190 nan 0.000 0.438 279 A N 4.569 127.385 122.820 -0.008 0.000 2.799 279 A HA 0.077 4.398 4.320 0.001 0.000 0.287 279 A C 2.218 179.792 177.584 -0.017 0.000 1.484 279 A CA 2.216 54.247 52.037 -0.009 0.000 0.813 279 A CB -1.758 17.240 19.000 -0.002 0.000 1.009 279 A HN 3.003 nan 8.150 nan 0.000 0.545 280 G N -3.925 104.861 108.800 -0.023 0.000 2.241 280 G HA2 -0.055 3.906 3.960 0.001 0.000 0.244 280 G HA3 -0.055 3.906 3.960 0.001 0.000 0.244 280 G C 0.452 175.335 174.900 -0.029 0.000 0.998 280 G CA 0.349 45.434 45.100 -0.025 0.000 0.621 280 G HN 1.779 nan 8.290 nan 0.000 0.519 281 V N 2.410 122.305 119.914 -0.031 0.000 2.555 281 V HA 0.557 4.678 4.120 0.001 0.000 0.286 281 V C 0.892 176.958 176.094 -0.047 0.000 1.044 281 V CA -0.104 62.175 62.300 -0.036 0.000 1.026 281 V CB 1.428 33.231 31.823 -0.033 0.000 0.981 281 V HN 0.356 nan 8.190 nan 0.000 0.480 282 L N 4.349 125.549 121.223 -0.040 0.000 2.325 282 L HA 0.555 4.896 4.340 0.001 0.000 0.278 282 L C 0.449 177.288 176.870 -0.051 0.000 1.023 282 L CA -0.526 54.288 54.840 -0.044 0.000 0.811 282 L CB 1.151 43.205 42.059 -0.009 0.000 1.249 282 L HN 0.756 nan 8.230 nan 0.000 0.431 286 S N 5.725 121.426 115.700 0.002 0.000 2.429 286 S HA 0.895 5.365 4.470 0.001 0.000 0.302 286 S C -0.769 173.822 174.600 -0.016 0.000 1.115 286 S CA -0.475 57.720 58.200 -0.008 0.000 1.095 286 S CB 0.933 64.169 63.200 0.060 0.000 0.987 286 S HN 1.092 nan 8.310 nan 0.000 0.474 287 L N 0.225 121.423 121.223 -0.041 0.000 2.630 287 L HA 0.712 5.052 4.340 0.001 0.000 0.258 287 L C -0.357 176.488 176.870 -0.041 0.000 1.072 287 L CA -0.956 53.868 54.840 -0.027 0.000 0.885 287 L CB 0.486 42.529 42.059 -0.026 0.000 1.502 287 L HN 0.302 nan 8.230 nan 0.000 0.406 288 S N 1.159 116.842 115.700 -0.029 0.000 2.499 288 S HA 0.831 5.301 4.470 0.001 0.000 0.275 288 S C -0.264 174.289 174.600 -0.079 0.000 1.257 288 S CA -0.343 57.831 58.200 -0.044 0.000 1.050 288 S CB -0.101 63.088 63.200 -0.018 0.000 0.937 288 S HN 0.473 nan 8.310 nan 0.000 0.490 289 L N 3.674 124.822 121.223 -0.124 0.000 2.376 289 L HA 0.525 4.866 4.340 0.001 0.000 0.258 289 L C -2.649 174.066 176.870 -0.257 0.000 1.013 289 L CA -2.957 51.758 54.840 -0.208 0.000 0.822 289 L CB 2.239 44.157 42.059 -0.235 0.000 1.388 289 L HN 0.320 nan 8.230 nan 0.000 0.413 290 P HA 0.259 nan 4.420 nan 0.000 0.271 290 P C -1.313 175.833 177.300 -0.257 0.000 1.226 290 P CA -0.060 62.792 63.100 -0.414 0.000 0.765 290 P CB 0.491 31.717 31.700 -0.790 0.000 0.835 291 R N 2.617 123.046 120.500 -0.118 0.000 2.771 291 R HA 0.574 4.915 4.340 0.001 0.000 0.274 291 R C -0.407 175.899 176.300 0.011 0.000 0.987 291 R CA -1.029 55.027 56.100 -0.073 0.000 0.908 291 R CB 1.858 32.124 30.300 -0.056 0.000 1.213 291 R HN 0.387 nan 8.270 nan 0.000 0.468 292 I N 2.924 123.497 120.570 0.006 0.000 2.337 292 I HA 0.159 4.329 4.170 0.001 0.000 0.291 292 I C -0.674 175.484 176.117 0.069 0.000 1.046 292 I CA -0.479 60.847 61.300 0.044 0.000 1.324 292 I CB 0.862 38.874 38.000 0.020 0.000 1.409 292 I HN 0.210 nan 8.210 nan 0.000 0.494 293 L N 7.430 128.731 121.223 0.130 0.000 2.325 293 L HA 0.861 5.202 4.340 0.001 0.000 0.281 293 L C -0.022 176.895 176.870 0.079 0.000 1.004 293 L CA 0.369 55.267 54.840 0.097 0.000 0.823 293 L CB 1.179 43.296 42.059 0.098 0.000 1.236 293 L HN 0.652 nan 8.230 nan 0.000 0.415 294 G N 2.386 111.210 108.800 0.040 0.000 2.976 294 G HA2 0.517 4.477 3.960 0.001 0.000 0.276 294 G HA3 0.517 4.477 3.960 0.001 0.000 0.276 294 G C 0.153 175.062 174.900 0.014 0.000 1.207 294 G CA 0.013 45.132 45.100 0.031 0.000 0.803 294 G HN 0.731 nan 8.290 nan 0.000 0.572 295 A N -0.800 122.028 122.820 0.014 0.000 2.015 295 A HA 0.266 4.587 4.320 0.001 0.000 0.219 295 A C 2.170 179.758 177.584 0.007 0.000 1.163 295 A CA 2.318 54.360 52.037 0.008 0.000 0.646 295 A CB -0.628 18.378 19.000 0.010 0.000 0.806 295 A HN 1.416 nan 8.150 nan 0.000 0.448 296 G N -1.960 106.847 108.800 0.012 0.000 3.141 296 G HA2 0.460 4.421 3.960 0.001 0.000 0.218 296 G HA3 0.460 4.421 3.960 0.001 0.000 0.218 296 G C 0.915 175.824 174.900 0.014 0.000 1.170 296 G CA 0.597 45.705 45.100 0.014 0.000 0.769 296 G HN 1.510 nan 8.290 nan 0.000 0.546 297 G N -0.678 108.127 108.800 0.008 0.000 2.513 297 G HA2 0.006 3.967 3.960 0.001 0.000 0.227 297 G HA3 0.006 3.967 3.960 0.001 0.000 0.227 297 G C 0.139 175.046 174.900 0.012 0.000 1.176 297 G CA 0.243 45.347 45.100 0.006 0.000 0.967 297 G HN 1.349 nan 8.290 nan 0.000 0.587 298 V N -1.146 118.776 119.914 0.013 0.000 2.644 298 V HA 0.948 5.069 4.120 0.001 0.000 0.295 298 V C 0.635 176.739 176.094 0.017 0.000 1.053 298 V CA 0.764 63.072 62.300 0.014 0.000 0.987 298 V CB 0.713 32.538 31.823 0.002 0.000 1.006 298 V HN 2.705 nan 8.190 nan 0.000 0.472 302 T N 0.364 114.851 114.554 -0.111 0.000 2.876 302 T HA 0.647 4.998 4.350 0.001 0.000 0.289 302 T C -0.389 174.075 174.700 -0.392 0.000 1.014 302 T CA -0.491 61.428 62.100 -0.301 0.000 0.986 302 T CB 2.005 70.614 68.868 -0.431 0.000 1.021 302 T HN 0.564 nan 8.240 nan 0.000 0.458 303 V N 3.236 122.882 119.914 -0.447 0.000 2.398 303 V HA 0.383 4.503 4.120 0.001 0.000 0.286 303 V C -1.218 174.591 176.094 -0.475 0.000 1.026 303 V CA -0.814 61.290 62.300 -0.327 0.000 0.868 303 V CB 0.810 32.525 31.823 -0.179 0.000 0.982 303 V HN 0.847 nan 8.190 nan 0.000 0.443 304 Y N 5.130 125.398 120.300 -0.054 0.000 2.841 304 Y HA 0.470 5.021 4.550 0.001 0.000 0.329 304 Y C -1.691 174.201 175.900 -0.014 0.000 1.062 304 Y CA -2.442 55.630 58.100 -0.046 0.000 1.281 304 Y CB 0.130 38.570 38.460 -0.032 0.000 1.147 304 Y HN 0.550 nan 8.280 nan 0.000 0.521 305 P HA 0.101 nan 4.420 nan 0.000 0.270 305 P C -0.364 177.008 177.300 0.120 0.000 1.223 305 P CA -0.297 62.880 63.100 0.129 0.000 0.785 305 P CB 0.763 32.575 31.700 0.186 0.000 0.923 306 S N 0.798 116.561 115.700 0.106 0.000 2.481 306 S HA 0.255 4.726 4.470 0.001 0.000 0.276 306 S C 0.098 174.754 174.600 0.092 0.000 1.247 306 S CA -0.417 57.834 58.200 0.085 0.000 1.053 306 S CB -0.333 62.908 63.200 0.068 0.000 0.925 306 S HN 0.216 nan 8.310 nan 0.000 0.491 307 L N 3.211 124.482 121.223 0.080 0.000 2.307 307 L HA 0.427 4.768 4.340 0.001 0.000 0.284 307 L C 0.872 177.783 176.870 0.067 0.000 1.023 307 L CA -0.719 54.169 54.840 0.080 0.000 0.810 307 L CB 1.586 43.686 42.059 0.069 0.000 1.231 307 L HN 0.702 nan 8.230 nan 0.000 0.423 308 S N 2.401 118.146 115.700 0.076 0.000 2.589 308 S HA 0.211 4.682 4.470 0.001 0.000 0.265 308 S C -1.836 172.792 174.600 0.048 0.000 1.342 308 S CA -0.908 57.329 58.200 0.061 0.000 1.005 308 S CB 0.835 64.078 63.200 0.071 0.000 0.909 308 S HN 0.434 nan 8.310 nan 0.000 0.555 309 P HA -0.106 nan 4.420 nan 0.000 0.216 309 P C 1.020 178.336 177.300 0.026 0.000 1.153 309 P CA 1.425 64.541 63.100 0.025 0.000 0.858 309 P CB -0.043 31.668 31.700 0.018 0.000 0.789 310 E N -0.366 119.853 120.200 0.031 0.000 2.106 310 E HA -0.158 4.192 4.350 0.001 0.000 0.192 310 E C 1.938 178.562 176.600 0.039 0.000 0.984 310 E CA 1.101 57.519 56.400 0.030 0.000 0.806 310 E CB -0.687 29.031 29.700 0.030 0.000 0.750 310 E HN 0.424 nan 8.360 nan 0.000 0.458 311 E N 0.274 120.507 120.200 0.055 0.000 2.072 311 E HA -0.126 4.225 4.350 0.001 0.000 0.191 311 E C 2.124 178.752 176.600 0.045 0.000 0.985 311 E CA 0.644 57.082 56.400 0.063 0.000 0.801 311 E CB -0.053 29.701 29.700 0.090 0.000 0.750 311 E HN 0.063 nan 8.360 nan 0.000 0.452 312 R N 0.633 121.157 120.500 0.040 0.000 2.091 312 R HA -0.161 4.179 4.340 0.001 0.000 0.238 312 R C 2.221 178.532 176.300 0.018 0.000 1.136 312 R CA 1.398 57.515 56.100 0.028 0.000 0.959 312 R CB -0.181 30.133 30.300 0.024 0.000 0.856 312 R HN 0.159 nan 8.270 nan 0.000 0.437 313 A N 0.300 123.130 122.820 0.017 0.000 1.898 313 A HA -0.069 4.251 4.320 0.001 0.000 0.216 313 A C 2.294 179.883 177.584 0.009 0.000 1.181 313 A CA 1.552 53.594 52.037 0.010 0.000 0.620 313 A CB -0.691 18.313 19.000 0.008 0.000 0.819 313 A HN 0.508 nan 8.150 nan 0.000 0.442 314 A N -0.524 122.305 122.820 0.015 0.000 1.902 314 A HA -0.015 4.305 4.320 0.001 0.000 0.217 314 A C 2.126 179.716 177.584 0.010 0.000 1.181 314 A CA 1.682 53.727 52.037 0.013 0.000 0.623 314 A CB -0.604 18.409 19.000 0.021 0.000 0.818 314 A HN 0.622 nan 8.150 nan 0.000 0.443 315 L N -0.397 120.834 121.223 0.014 0.000 2.046 315 L HA -0.121 4.220 4.340 0.001 0.000 0.208 315 L C 2.462 179.333 176.870 0.001 0.000 1.077 315 L CA 2.014 56.859 54.840 0.009 0.000 0.747 315 L CB -0.562 41.505 42.059 0.014 0.000 0.896 315 L HN 0.345 nan 8.230 nan 0.000 0.432 316 R N 0.027 120.528 120.500 0.001 0.000 2.083 316 R HA -0.191 4.149 4.340 0.001 0.000 0.237 316 R C 2.477 178.773 176.300 -0.007 0.000 1.137 316 R CA 1.911 58.008 56.100 -0.005 0.000 0.951 316 R CB -0.533 29.765 30.300 -0.005 0.000 0.851 316 R HN 0.394 nan 8.270 nan 0.000 0.434 317 R N -0.255 120.242 120.500 -0.004 0.000 2.081 317 R HA -0.086 4.255 4.340 0.001 0.000 0.235 317 R C 2.446 178.744 176.300 -0.004 0.000 1.131 317 R CA 1.741 57.838 56.100 -0.005 0.000 0.960 317 R CB -0.302 29.996 30.300 -0.004 0.000 0.856 317 R HN 0.173 nan 8.270 nan 0.000 0.436 318 S N -0.354 115.344 115.700 -0.003 0.000 2.368 318 S HA -0.106 4.365 4.470 0.001 0.000 0.225 318 S C 1.888 176.487 174.600 -0.002 0.000 1.030 318 S CA 1.226 59.425 58.200 -0.002 0.000 0.999 318 S CB -0.105 63.094 63.200 -0.001 0.000 0.844 318 S HN 0.508 nan 8.310 nan 0.000 0.459 319 A N 0.587 123.403 122.820 -0.006 0.000 1.969 319 A HA -0.018 4.303 4.320 0.001 0.000 0.218 319 A C 1.955 179.536 177.584 -0.005 0.000 1.169 319 A CA 1.832 53.863 52.037 -0.010 0.000 0.635 319 A CB -0.719 18.268 19.000 -0.020 0.000 0.810 319 A HN 0.600 nan 8.150 nan 0.000 0.445 320 E N 0.201 120.397 120.200 -0.007 0.000 2.106 320 E HA -0.099 4.252 4.350 0.001 0.000 0.192 320 E C 1.676 178.278 176.600 0.003 0.000 0.984 320 E CA 1.110 57.505 56.400 -0.008 0.000 0.806 320 E CB -0.340 29.351 29.700 -0.015 0.000 0.750 320 E HN 0.640 nan 8.360 nan 0.000 0.458 321 I N 0.205 120.779 120.570 0.005 0.000 2.127 321 I HA -0.305 3.866 4.170 0.001 0.000 0.241 321 I C 2.184 178.317 176.117 0.026 0.000 1.075 321 I CA 1.075 62.383 61.300 0.013 0.000 1.334 321 I CB -0.264 37.741 38.000 0.007 0.000 1.040 321 I HN 0.176 nan 8.210 nan 0.000 0.405 322 L N 0.248 121.486 121.223 0.025 0.000 2.083 322 L HA -0.211 4.130 4.340 0.001 0.000 0.209 322 L C 2.547 179.455 176.870 0.063 0.000 1.083 322 L CA 1.128 55.991 54.840 0.038 0.000 0.752 322 L CB -0.590 41.486 42.059 0.028 0.000 0.899 322 L HN 0.182 nan 8.230 nan 0.000 0.433 323 K N 0.451 120.884 120.400 0.055 0.000 2.097 323 K HA -0.140 4.180 4.320 0.001 0.000 0.205 323 K C 1.976 178.647 176.600 0.118 0.000 1.050 323 K CA 1.211 57.546 56.287 0.081 0.000 0.938 323 K CB 0.007 32.529 32.500 0.037 0.000 0.718 323 K HN 0.241 nan 8.250 nan 0.000 0.442 324 E N 0.053 120.303 120.200 0.083 0.000 2.072 324 E HA -0.141 4.210 4.350 0.001 0.000 0.191 324 E C 2.032 178.731 176.600 0.165 0.000 0.985 324 E CA 1.111 57.578 56.400 0.113 0.000 0.801 324 E CB -0.285 29.450 29.700 0.058 0.000 0.750 324 E HN 0.407 nan 8.360 nan 0.000 0.452 325 A N 2.037 124.927 122.820 0.117 0.000 1.883 325 A HA -0.167 4.154 4.320 0.001 0.000 0.217 325 A C 2.495 180.167 177.584 0.148 0.000 1.186 325 A CA 2.226 54.328 52.037 0.108 0.000 0.624 325 A CB -0.727 18.314 19.000 0.068 0.000 0.822 325 A HN 0.287 nan 8.150 nan 0.000 0.444 326 A N -1.366 121.559 122.820 0.175 0.000 1.883 326 A HA -0.099 4.221 4.320 0.001 0.000 0.217 326 A C 2.079 179.835 177.584 0.287 0.000 1.186 326 A CA 1.717 53.898 52.037 0.240 0.000 0.624 326 A CB -0.805 18.343 19.000 0.246 0.000 0.822 326 A HN 0.677 nan 8.150 nan 0.000 0.444 327 F N 0.935 120.957 119.950 0.119 0.000 2.161 327 F HA -0.118 4.409 4.527 0.001 0.000 0.300 327 F C 2.455 178.289 175.800 0.056 0.000 1.089 327 F CA 1.188 59.237 58.000 0.082 0.000 1.282 327 F CB -0.258 38.777 39.000 0.058 0.000 1.010 327 F HN 0.240 nan 8.300 nan 0.000 0.485 328 A N -0.202 122.700 122.820 0.136 0.000 2.066 328 A HA -0.032 4.288 4.320 0.001 0.000 0.218 328 A C 2.100 179.673 177.584 -0.018 0.000 1.157 328 A CA 1.237 53.295 52.037 0.035 0.000 0.670 328 A CB -0.868 18.188 19.000 0.093 0.000 0.804 328 A HN 0.468 nan 8.150 nan 0.000 0.453 329 L N -1.759 119.494 121.223 0.049 0.000 2.509 329 L HA 0.201 4.542 4.340 0.001 0.000 0.222 329 L C 1.622 178.420 176.870 -0.120 0.000 1.123 329 L CA 0.636 55.526 54.840 0.084 0.000 0.856 329 L CB -0.124 42.133 42.059 0.330 0.000 0.985 329 L HN 0.563 nan 8.230 nan 0.000 0.456 330 G N -0.301 108.356 108.800 -0.239 0.000 2.144 330 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 330 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 330 G C -0.038 174.544 174.900 -0.531 0.000 0.988 330 G CA -0.375 44.445 45.100 -0.467 0.000 0.659 330 G HN 0.182 nan 8.290 nan 0.000 0.522 331 F N 0.000 119.935 119.950 -0.025 0.000 2.286 331 F HA 0.000 4.528 4.527 0.001 0.000 0.279 331 F CA 0.000 58.030 58.000 0.051 0.000 1.383 331 F CB 0.000 39.038 39.000 0.064 0.000 1.145 331 F HN 0.000 nan 8.300 nan 0.000 0.574