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 3fcu_1_C DATA FIRST_RESID 2 DATA SEQUENCE NLDPVQLTFY AGPNGSQFGF SLDFHKDSHG RVAIVVGAPR TLGPSQEETG DATA SEQUENCE GVFLcPWRAE GGQcPSLLFD LRDETRNVGS QTLQTFKARQ GLGASVVSWS DATA SEQUENCE DVIVAcAPWQ HWNVLEKTEE AEKTPVGScF LAQPESGRRA EYSPcRGNTL DATA SEQUENCE SRIYVENDFS WDKRYcEAGF SSVVTQAGEL VLGAPGGYYF LGLLAQAPVA DATA SEQUENCE DIFSSYRPGI LLWHVSSQSL SFDSSNPEYF DGYWGYSVAV GEFDGDLNTT DATA SEQUENCE EYVVGAPTWS WTLGAVEILD SYYQRLHRLR GEQMASYFGH SVAVTDVNGD DATA SEQUENCE GRHDLLVGAP LYMESRADRK LAEVGRVYLF LQPRGPHALG APSLLLTGTQ DATA SEQUENCE LYGRFGSAIA PLGDLDRDGY NDIAVAAPYG GPSGRGQVLV FLGQSEGLRS DATA SEQUENCE RPSQVLDSPF PTGSAFGFSL RGAVDIDDNG YPDLIVGAYG ANQVAVYRAQ DATA SEQUENCE P 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.523 175.510 0.022 0.000 1.280 2 N CA 0.000 53.056 53.050 0.010 0.000 0.885 2 N CB 0.000 38.509 38.487 0.036 0.000 1.341 3 L N 1.679 122.925 121.223 0.038 0.000 2.305 3 L HA 0.401 4.741 4.340 -0.000 0.000 0.284 3 L C -0.463 176.468 176.870 0.102 0.000 1.013 3 L CA -0.674 54.211 54.840 0.075 0.000 0.819 3 L CB 1.622 43.724 42.059 0.073 0.000 1.227 3 L HN 0.026 nan 8.230 nan 0.000 0.417 4 D N 6.131 126.598 120.400 0.111 0.000 2.346 4 D HA 0.096 4.736 4.640 -0.000 0.000 0.260 4 D C -1.690 174.715 176.300 0.175 0.000 1.252 4 D CA -1.319 52.739 54.000 0.097 0.000 0.895 4 D CB 1.559 42.389 40.800 0.050 0.000 1.097 4 D HN 0.260 nan 8.370 nan 0.000 0.489 5 P HA 0.025 nan 4.420 nan 0.000 0.261 5 P C 0.987 178.347 177.300 0.101 0.000 1.268 5 P CA 0.032 63.268 63.100 0.227 0.000 0.833 5 P CB 0.753 32.551 31.700 0.163 0.000 1.231 6 V N -0.601 119.338 119.914 0.041 0.000 2.690 6 V HA 0.049 4.169 4.120 -0.000 0.000 0.240 6 V C 1.305 177.375 176.094 -0.039 0.000 1.078 6 V CA 0.902 63.203 62.300 0.002 0.000 1.102 6 V CB -0.799 31.027 31.823 0.005 0.000 0.800 6 V HN 0.040 nan 8.190 nan 0.000 0.479 7 Q N 1.959 121.735 119.800 -0.040 0.000 2.534 7 Q HA 0.379 4.719 4.340 -0.000 0.000 0.223 7 Q C -0.890 175.020 176.000 -0.149 0.000 1.239 7 Q CA 0.290 56.052 55.803 -0.067 0.000 0.936 7 Q CB 0.428 29.153 28.738 -0.022 0.000 1.457 7 Q HN 0.495 nan 8.270 nan 0.000 0.547 8 L N 1.220 122.272 121.223 -0.285 0.000 2.325 8 L HA 0.498 4.838 4.340 -0.000 0.000 0.278 8 L C 0.290 176.808 176.870 -0.586 0.000 1.023 8 L CA -0.688 53.815 54.840 -0.561 0.000 0.811 8 L CB 1.705 43.225 42.059 -0.898 0.000 1.249 8 L HN 0.192 nan 8.230 nan 0.000 0.431 9 T N 2.048 116.312 114.554 -0.483 0.000 2.795 9 T HA 0.539 4.889 4.350 -0.000 0.000 0.282 9 T C -0.564 173.844 174.700 -0.486 0.000 0.980 9 T CA -0.174 61.690 62.100 -0.394 0.000 1.012 9 T CB 0.543 69.340 68.868 -0.119 0.000 0.936 9 T HN 0.138 nan 8.240 nan 0.000 0.457 10 F N 2.441 122.319 119.950 -0.120 0.000 2.426 10 F HA 0.494 5.021 4.527 -0.000 0.000 0.348 10 F C -0.239 175.470 175.800 -0.152 0.000 1.124 10 F CA -1.073 56.928 58.000 0.003 0.000 1.008 10 F CB 1.038 40.071 39.000 0.055 0.000 1.139 10 F HN 0.504 nan 8.300 nan 0.000 0.452 11 Y N 1.861 122.355 120.300 0.323 0.000 2.387 11 Y HA 0.718 5.268 4.550 -0.000 0.000 0.330 11 Y C 0.098 176.024 175.900 0.043 0.000 1.133 11 Y CA -0.973 57.242 58.100 0.192 0.000 1.152 11 Y CB 1.819 40.459 38.460 0.300 0.000 1.215 11 Y HN 0.617 nan 8.280 nan 0.000 0.466 12 A N 1.247 123.954 122.820 -0.189 0.000 2.414 12 A HA 0.850 5.170 4.320 -0.000 0.000 0.306 12 A C -0.347 176.518 177.584 -1.198 0.000 1.054 12 A CA -0.200 51.500 52.037 -0.560 0.000 0.724 12 A CB 1.123 19.969 19.000 -0.258 0.000 1.267 12 A HN 0.868 nan 8.150 nan 0.000 0.418 13 G N 0.443 108.376 108.800 -1.445 0.000 2.735 13 G HA2 0.740 4.700 3.960 -0.000 0.000 0.301 13 G HA3 0.740 4.700 3.960 -0.000 0.000 0.301 13 G C -3.039 171.611 174.900 -0.417 0.000 1.279 13 G CA -1.816 42.610 45.100 -1.122 0.000 1.019 13 G HN 0.516 nan 8.290 nan 0.000 0.497 14 P HA 0.067 nan 4.420 nan 0.000 0.269 14 P C -0.204 177.084 177.300 -0.021 0.000 1.217 14 P CA -0.472 62.595 63.100 -0.055 0.000 0.783 14 P CB 0.446 32.175 31.700 0.048 0.000 0.898 15 N N 1.136 119.829 118.700 -0.011 0.000 2.454 15 N HA 0.134 4.874 4.740 -0.000 0.000 0.260 15 N C 1.387 176.917 175.510 0.033 0.000 1.218 15 N CA 1.662 54.715 53.050 0.005 0.000 0.904 15 N CB -0.120 38.367 38.487 0.000 0.000 1.065 15 N HN 0.727 nan 8.380 nan 0.000 0.462 16 G N 1.225 110.053 108.800 0.046 0.000 2.153 16 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 16 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 16 G C 0.849 175.799 174.900 0.082 0.000 0.994 16 G CA 0.837 45.974 45.100 0.061 0.000 0.698 16 G HN 0.686 nan 8.290 nan 0.000 0.521 17 S N -0.881 114.885 115.700 0.109 0.000 2.524 17 S HA 0.209 4.679 4.470 -0.000 0.000 0.216 17 S C 1.235 175.936 174.600 0.170 0.000 0.987 17 S CA 1.112 59.401 58.200 0.148 0.000 0.909 17 S CB -0.133 63.188 63.200 0.203 0.000 0.781 17 S HN 1.047 nan 8.310 nan 0.000 0.521 18 Q N -0.092 119.824 119.800 0.194 0.000 2.481 18 Q HA -0.206 4.134 4.340 -0.000 0.000 0.272 18 Q C -0.481 175.692 176.000 0.289 0.000 1.157 18 Q CA 0.515 56.477 55.803 0.265 0.000 0.935 18 Q CB -2.461 26.368 28.738 0.153 0.000 1.338 18 Q HN 0.747 nan 8.270 nan 0.000 0.494 19 F N 0.908 120.926 119.950 0.113 0.000 2.569 19 F HA 0.184 4.711 4.527 -0.000 0.000 0.395 19 F C 1.442 177.307 175.800 0.108 0.000 1.028 19 F CA 2.099 60.146 58.000 0.078 0.000 1.158 19 F CB 0.273 39.241 39.000 -0.054 0.000 1.023 19 F HN 0.324 nan 8.300 nan 0.000 0.547 20 G N 4.907 113.543 108.800 -0.272 0.000 2.163 20 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.213 20 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.213 20 G C 0.645 175.596 174.900 0.085 0.000 0.991 20 G CA 0.083 45.099 45.100 -0.140 0.000 0.653 20 G HN 0.745 nan 8.290 nan 0.000 0.518 21 F N 2.560 122.505 119.950 -0.008 0.000 2.161 21 F HA 0.196 4.723 4.527 -0.000 0.000 0.300 21 F C 1.549 177.384 175.800 0.058 0.000 1.089 21 F CA 2.227 60.217 58.000 -0.017 0.000 1.282 21 F CB 0.178 39.065 39.000 -0.189 0.000 1.010 21 F HN 0.535 nan 8.300 nan 0.000 0.485 22 S N -0.212 115.591 115.700 0.172 0.000 2.588 22 S HA 0.748 5.218 4.470 -0.000 0.000 0.275 22 S C -1.241 173.332 174.600 -0.045 0.000 1.130 22 S CA -0.621 57.613 58.200 0.056 0.000 0.855 22 S CB 2.511 65.762 63.200 0.085 0.000 1.116 22 S HN 0.243 nan 8.310 nan 0.000 0.472 23 L N -1.459 119.718 121.223 -0.076 0.000 2.710 23 L HA 0.987 5.327 4.340 -0.000 0.000 0.260 23 L C -1.476 175.312 176.870 -0.137 0.000 0.993 23 L CA -0.554 54.207 54.840 -0.132 0.000 0.877 23 L CB 0.931 42.881 42.059 -0.181 0.000 1.461 23 L HN 0.812 nan 8.230 nan 0.000 0.413 24 D N -0.518 119.782 120.400 -0.167 0.000 2.622 24 D HA 0.617 5.257 4.640 -0.000 0.000 0.255 24 D C -1.613 174.569 176.300 -0.196 0.000 1.246 24 D CA -0.274 53.641 54.000 -0.143 0.000 0.795 24 D CB 1.625 42.429 40.800 0.007 0.000 1.369 24 D HN 0.379 nan 8.370 nan 0.000 0.425 25 F N 1.212 121.199 119.950 0.061 0.000 2.399 25 F HA 0.377 4.904 4.527 -0.000 0.000 0.342 25 F C 0.469 176.347 175.800 0.129 0.000 1.106 25 F CA -0.094 57.949 58.000 0.071 0.000 1.196 25 F CB 0.856 39.876 39.000 0.033 0.000 1.163 25 F HN 0.237 nan 8.300 nan 0.000 0.547 26 H N 2.403 121.593 119.070 0.199 0.000 2.689 26 H HA 0.422 4.978 4.556 -0.000 0.000 0.346 26 H C -1.323 174.065 175.328 0.099 0.000 1.037 26 H CA -0.974 55.147 56.048 0.120 0.000 1.234 26 H CB 1.089 30.905 29.762 0.090 0.000 1.572 26 H HN 0.526 nan 8.280 nan 0.000 0.524 27 K N 4.207 124.364 120.400 -0.404 0.000 2.240 27 K HA 0.193 4.513 4.320 -0.000 0.000 0.271 27 K C -0.587 175.672 176.600 -0.568 0.000 1.018 27 K CA -0.945 55.121 56.287 -0.367 0.000 0.874 27 K CB 0.854 33.238 32.500 -0.193 0.000 1.098 27 K HN 0.771 nan 8.250 nan 0.000 0.458 28 D N 1.030 121.202 120.400 -0.380 0.000 2.393 28 D HA -0.062 4.578 4.640 -0.000 0.000 0.246 28 D C 1.061 177.294 176.300 -0.112 0.000 1.275 28 D CA -0.377 53.510 54.000 -0.189 0.000 0.979 28 D CB 0.557 41.360 40.800 0.004 0.000 1.101 28 D HN 0.348 nan 8.370 nan 0.000 0.505 29 S N -1.212 114.441 115.700 -0.078 0.000 2.383 29 S HA -0.282 4.188 4.470 -0.000 0.000 0.229 29 S C 1.631 176.141 174.600 -0.150 0.000 1.030 29 S CA 0.927 59.044 58.200 -0.139 0.000 1.002 29 S CB -0.881 62.212 63.200 -0.179 0.000 0.829 29 S HN 0.541 nan 8.310 nan 0.000 0.467 30 H N 1.458 120.496 119.070 -0.054 0.000 2.521 30 H HA 0.103 4.659 4.556 -0.000 0.000 0.286 30 H C 2.057 177.359 175.328 -0.043 0.000 1.034 30 H CA 1.027 57.053 56.048 -0.037 0.000 1.278 30 H CB -0.351 29.400 29.762 -0.018 0.000 1.386 30 H HN 0.698 nan 8.280 nan 0.000 0.567 31 G N 0.745 109.567 108.800 0.035 0.000 2.195 31 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.224 31 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.224 31 G C 0.526 175.422 174.900 -0.006 0.000 0.990 31 G CA 0.128 45.220 45.100 -0.013 0.000 0.639 31 G HN 0.405 nan 8.290 nan 0.000 0.514 32 R N 0.603 121.121 120.500 0.030 0.000 2.438 32 R HA 0.525 4.865 4.340 -0.000 0.000 0.287 32 R C 0.304 176.619 176.300 0.026 0.000 1.077 32 R CA -0.169 55.955 56.100 0.040 0.000 1.034 32 R CB 0.708 31.046 30.300 0.064 0.000 0.993 32 R HN 0.065 nan 8.270 nan 0.000 0.459 33 V N 3.844 123.787 119.914 0.049 0.000 2.567 33 V HA 0.637 4.757 4.120 -0.000 0.000 0.289 33 V C 0.245 176.439 176.094 0.166 0.000 1.049 33 V CA -0.147 62.196 62.300 0.072 0.000 0.969 33 V CB 1.228 33.074 31.823 0.037 0.000 0.995 33 V HN 1.004 nan 8.190 nan 0.000 0.471 34 A N 4.834 127.773 122.820 0.198 0.000 2.483 34 A HA 0.924 5.244 4.320 -0.000 0.000 0.286 34 A C -1.036 176.666 177.584 0.196 0.000 1.207 34 A CA -0.725 51.445 52.037 0.221 0.000 0.764 34 A CB 1.445 20.577 19.000 0.219 0.000 1.341 34 A HN 0.674 nan 8.150 nan 0.000 0.428 35 I N 0.932 121.549 120.570 0.078 0.000 2.411 35 I HA 0.334 4.504 4.170 -0.000 0.000 0.284 35 I C -0.448 175.641 176.117 -0.047 0.000 1.012 35 I CA -0.766 60.500 61.300 -0.056 0.000 1.119 35 I CB 1.627 39.510 38.000 -0.194 0.000 1.261 35 I HN 0.359 nan 8.210 nan 0.000 0.448 36 V N 8.508 128.405 119.914 -0.029 0.000 2.488 36 V HA 0.384 4.504 4.120 -0.000 0.000 0.277 36 V C -0.265 175.780 176.094 -0.080 0.000 1.046 36 V CA 0.100 62.385 62.300 -0.025 0.000 0.986 36 V CB 1.486 33.294 31.823 -0.024 0.000 0.989 36 V HN 0.454 nan 8.190 nan 0.000 0.475 37 V N 6.444 126.319 119.914 -0.066 0.000 2.531 37 V HA 0.650 4.770 4.120 -0.000 0.000 0.301 37 V C 0.628 176.665 176.094 -0.094 0.000 1.034 37 V CA -0.182 61.994 62.300 -0.208 0.000 0.865 37 V CB 1.606 33.087 31.823 -0.570 0.000 0.995 37 V HN 1.001 nan 8.190 nan 0.000 0.424 38 G N 2.804 111.546 108.800 -0.096 0.000 2.372 38 G HA2 0.598 4.558 3.960 -0.000 0.000 0.283 38 G HA3 0.598 4.558 3.960 -0.000 0.000 0.283 38 G C -0.151 174.761 174.900 0.019 0.000 1.177 38 G CA -0.041 45.052 45.100 -0.012 0.000 0.842 38 G HN 1.183 nan 8.290 nan 0.000 0.503 39 A N 4.485 127.372 122.820 0.112 0.000 2.893 39 A HA 0.651 4.971 4.320 -0.000 0.000 0.333 39 A C -1.589 176.045 177.584 0.082 0.000 1.152 39 A CA -1.213 50.933 52.037 0.181 0.000 0.782 39 A CB 1.522 20.796 19.000 0.457 0.000 1.108 39 A HN 0.444 nan 8.150 nan 0.000 0.469 40 P HA -0.053 nan 4.420 nan 0.000 0.239 40 P C 0.525 177.799 177.300 -0.043 0.000 1.184 40 P CA 0.793 63.825 63.100 -0.113 0.000 0.760 40 P CB 0.175 31.674 31.700 -0.335 0.000 0.884 41 R N -1.119 119.381 120.500 0.000 0.000 2.629 41 R HA 0.203 4.543 4.340 -0.000 0.000 0.408 41 R C 0.055 176.391 176.300 0.060 0.000 1.057 41 R CA -0.086 56.026 56.100 0.020 0.000 1.119 41 R CB 0.235 30.536 30.300 0.002 0.000 1.403 41 R HN 0.028 nan 8.270 nan 0.000 0.576 42 T N 2.118 116.727 114.554 0.092 0.000 2.946 42 T HA 0.108 4.458 4.350 -0.000 0.000 0.311 42 T C 0.576 175.320 174.700 0.072 0.000 1.063 42 T CA 0.303 62.476 62.100 0.121 0.000 1.139 42 T CB 0.888 69.860 68.868 0.173 0.000 0.994 42 T HN 0.083 nan 8.240 nan 0.000 0.547 43 L N 2.285 123.550 121.223 0.070 0.000 2.371 43 L HA 0.517 4.857 4.340 -0.000 0.000 0.272 43 L C 1.242 178.136 176.870 0.039 0.000 1.124 43 L CA -0.516 54.352 54.840 0.048 0.000 0.816 43 L CB 0.595 42.681 42.059 0.044 0.000 1.129 43 L HN 0.749 nan 8.230 nan 0.000 0.448 44 G N 2.115 110.931 108.800 0.028 0.000 2.502 44 G HA2 0.513 4.473 3.960 -0.000 0.000 0.305 44 G HA3 0.513 4.473 3.960 -0.000 0.000 0.305 44 G C -2.674 172.239 174.900 0.021 0.000 1.190 44 G CA -1.340 43.772 45.100 0.020 0.000 0.933 44 G HN 0.353 nan 8.290 nan 0.000 0.503 45 P HA 0.198 nan 4.420 nan 0.000 0.270 45 P C 0.304 177.616 177.300 0.019 0.000 1.242 45 P CA 0.674 63.785 63.100 0.017 0.000 0.768 45 P CB 1.428 33.136 31.700 0.013 0.000 0.820 46 S N 2.868 118.579 115.700 0.019 0.000 1.505 46 S HA -0.144 4.326 4.470 -0.000 0.000 0.248 46 S C 0.356 174.968 174.600 0.021 0.000 1.017 46 S CA 0.518 58.730 58.200 0.020 0.000 1.104 46 S CB -1.704 61.510 63.200 0.024 0.000 1.310 46 S HN 0.378 nan 8.310 nan 0.000 0.531 47 Q N -0.284 119.529 119.800 0.022 0.000 2.503 47 Q HA -0.183 4.157 4.340 -0.000 0.000 0.267 47 Q C -0.305 175.708 176.000 0.022 0.000 1.030 47 Q CA 1.956 57.772 55.803 0.022 0.000 1.041 47 Q CB -2.269 26.480 28.738 0.018 0.000 1.406 47 Q HN 0.930 nan 8.270 nan 0.000 0.524 48 E N 0.759 120.975 120.200 0.025 0.000 2.214 48 E HA 0.320 4.670 4.350 -0.000 0.000 0.274 48 E C -0.611 176.008 176.600 0.030 0.000 0.977 48 E CA -0.409 56.008 56.400 0.027 0.000 0.827 48 E CB 0.832 30.553 29.700 0.034 0.000 1.130 48 E HN 0.104 nan 8.360 nan 0.000 0.394 49 E N 2.388 122.605 120.200 0.028 0.000 2.104 49 E HA 0.065 4.415 4.350 -0.000 0.000 0.278 49 E C 0.117 176.740 176.600 0.039 0.000 1.127 49 E CA 0.263 56.681 56.400 0.030 0.000 0.897 49 E CB 0.642 30.354 29.700 0.019 0.000 1.043 49 E HN 0.673 nan 8.360 nan 0.000 0.410 50 T N 0.081 114.654 114.554 0.033 0.000 3.000 50 T HA 0.356 4.706 4.350 -0.000 0.000 0.248 50 T C 0.962 175.662 174.700 -0.001 0.000 1.034 50 T CA 0.153 62.268 62.100 0.026 0.000 1.060 50 T CB 0.542 69.416 68.868 0.011 0.000 0.983 50 T HN 0.628 nan 8.240 nan 0.000 0.482 51 G N -0.472 108.328 108.800 0.001 0.000 2.661 51 G HA2 0.428 4.388 3.960 -0.000 0.000 0.685 51 G HA3 0.428 4.388 3.960 -0.000 0.000 0.685 51 G C -0.229 174.651 174.900 -0.034 0.000 1.298 51 G CA -0.494 44.597 45.100 -0.016 0.000 0.855 51 G HN 1.483 nan 8.290 nan 0.000 0.560 52 G N -2.192 106.592 108.800 -0.027 0.000 2.547 52 G HA2 0.763 4.723 3.960 -0.000 0.000 0.291 52 G HA3 0.763 4.723 3.960 -0.000 0.000 0.291 52 G C -1.393 173.482 174.900 -0.042 0.000 1.471 52 G CA 0.412 45.474 45.100 -0.064 0.000 0.798 52 G HN 1.699 nan 8.290 nan 0.000 0.504 53 V N 0.013 119.867 119.914 -0.099 0.000 2.769 53 V HA 0.771 4.891 4.120 -0.000 0.000 0.312 53 V C -1.032 174.927 176.094 -0.226 0.000 1.061 53 V CA -0.671 61.619 62.300 -0.017 0.000 0.931 53 V CB 1.689 33.594 31.823 0.137 0.000 1.010 53 V HN 0.612 nan 8.190 nan 0.000 0.433 54 F N 3.190 123.189 119.950 0.083 0.000 2.546 54 F HA 0.686 5.213 4.527 -0.000 0.000 0.320 54 F C -0.395 175.440 175.800 0.058 0.000 1.076 54 F CA -0.765 57.305 58.000 0.117 0.000 0.928 54 F CB 2.013 41.182 39.000 0.282 0.000 1.189 54 F HN 0.268 nan 8.300 nan 0.000 0.465 55 L N 3.877 125.234 121.223 0.224 0.000 2.337 55 L HA 0.510 4.850 4.340 -0.000 0.000 0.269 55 L C -1.130 175.828 176.870 0.145 0.000 1.018 55 L CA -0.504 54.415 54.840 0.132 0.000 0.876 55 L CB 0.180 42.284 42.059 0.074 0.000 1.236 55 L HN 0.649 nan 8.230 nan 0.000 0.436 56 c N 6.520 125.172 118.600 0.086 0.000 2.394 56 c HA 0.512 5.082 4.570 -0.000 0.000 0.362 56 c C -1.932 172.194 174.090 0.061 0.000 1.268 56 c CA -1.033 55.305 56.329 0.016 0.000 1.828 56 c CB 0.069 42.360 42.510 -0.365 0.000 2.442 56 c HN 0.594 nan 8.230 nan 0.000 0.549 57 P HA 0.043 nan 4.420 nan 0.000 0.281 57 P C -0.382 177.113 177.300 0.325 0.000 1.249 57 P CA -0.509 62.718 63.100 0.212 0.000 0.810 57 P CB 0.682 32.481 31.700 0.166 0.000 1.008 58 W N 4.928 126.329 121.300 0.168 0.000 2.469 58 W HA 0.149 4.809 4.660 -0.000 0.000 0.321 58 W C -0.910 175.728 176.519 0.198 0.000 1.415 58 W CA -0.173 57.303 57.345 0.218 0.000 1.308 58 W CB 0.317 29.872 29.460 0.159 0.000 1.368 58 W HN 0.372 nan 8.180 nan 0.000 0.546 59 R N 4.527 124.644 120.500 -0.637 0.000 2.621 59 R HA 0.359 4.699 4.340 -0.000 0.000 0.284 59 R C 0.717 176.289 176.300 -1.214 0.000 0.998 59 R CA -0.266 55.324 56.100 -0.850 0.000 0.895 59 R CB 1.829 31.927 30.300 -0.336 0.000 1.195 59 R HN 0.553 nan 8.270 nan 0.000 0.450 60 A N 2.320 124.540 122.820 -1.001 0.000 1.908 60 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 60 A C 1.781 179.115 177.584 -0.417 0.000 1.181 60 A CA 1.748 53.406 52.037 -0.633 0.000 0.627 60 A CB -0.275 18.549 19.000 -0.293 0.000 0.818 60 A HN 0.853 nan 8.150 nan 0.000 0.445 61 E N -0.181 119.806 120.200 -0.355 0.000 2.216 61 E HA 0.222 4.572 4.350 -0.000 0.000 0.192 61 E C 1.262 177.670 176.600 -0.320 0.000 0.988 61 E CA 0.929 57.176 56.400 -0.256 0.000 0.834 61 E CB -1.096 28.497 29.700 -0.179 0.000 0.772 61 E HN 1.000 nan 8.360 nan 0.000 0.479 62 G N 0.659 109.171 108.800 -0.479 0.000 2.601 62 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.252 62 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.252 62 G C 0.527 175.197 174.900 -0.384 0.000 1.294 62 G CA 0.691 45.327 45.100 -0.774 0.000 0.912 62 G HN 1.199 nan 8.290 nan 0.000 0.574 63 G N -2.750 105.859 108.800 -0.319 0.000 2.217 63 G HA2 0.438 4.398 3.960 -0.000 0.000 0.173 63 G HA3 0.438 4.398 3.960 -0.000 0.000 0.173 63 G C -0.491 174.410 174.900 0.003 0.000 1.324 63 G CA 0.479 45.521 45.100 -0.097 0.000 1.225 63 G HN 1.349 nan 8.290 nan 0.000 0.494 64 Q N -0.168 119.627 119.800 -0.007 0.000 2.299 64 Q HA 0.549 4.889 4.340 -0.000 0.000 0.246 64 Q C -0.175 175.881 176.000 0.094 0.000 0.935 64 Q CA 0.084 55.875 55.803 -0.020 0.000 0.887 64 Q CB 1.450 30.173 28.738 -0.024 0.000 1.223 64 Q HN 0.694 nan 8.270 nan 0.000 0.439 65 c N 2.144 120.809 118.600 0.107 0.000 2.562 65 c HA 0.604 5.174 4.570 -0.000 0.000 0.332 65 c C -2.097 172.196 174.090 0.337 0.000 1.201 65 c CA -1.390 55.088 56.329 0.247 0.000 1.803 65 c CB 1.250 43.953 42.510 0.322 0.000 2.328 65 c HN 0.669 nan 8.230 nan 0.000 0.500 66 P HA 0.208 nan 4.420 nan 0.000 0.275 66 P C -0.554 176.871 177.300 0.208 0.000 1.228 66 P CA 0.091 63.316 63.100 0.208 0.000 0.786 66 P CB 0.535 32.304 31.700 0.116 0.000 0.927 67 S N 1.996 117.716 115.700 0.032 0.000 2.523 67 S HA 0.237 4.707 4.470 -0.000 0.000 0.275 67 S C -0.246 174.223 174.600 -0.218 0.000 1.281 67 S CA -0.598 57.432 58.200 -0.282 0.000 1.050 67 S CB -0.373 62.663 63.200 -0.273 0.000 0.937 67 S HN 0.354 nan 8.310 nan 0.000 0.492 68 L N 7.231 128.291 121.223 -0.271 0.000 2.268 68 L HA 0.453 4.793 4.340 -0.000 0.000 0.289 68 L C -0.625 175.967 176.870 -0.463 0.000 1.064 68 L CA -0.074 54.597 54.840 -0.282 0.000 0.824 68 L CB 0.170 42.121 42.059 -0.181 0.000 1.202 68 L HN 0.664 nan 8.230 nan 0.000 0.433 69 L N 5.508 126.449 121.223 -0.471 0.000 2.416 69 L HA 0.299 4.639 4.340 -0.000 0.000 0.272 69 L C -0.524 175.931 176.870 -0.692 0.000 1.161 69 L CA 0.298 54.890 54.840 -0.414 0.000 0.845 69 L CB 0.238 42.150 42.059 -0.246 0.000 1.119 69 L HN 0.472 nan 8.230 nan 0.000 0.464 70 F N 0.073 119.919 119.950 -0.173 0.000 2.664 70 F HA 0.310 4.837 4.527 -0.000 0.000 0.329 70 F C 0.189 175.884 175.800 -0.175 0.000 1.090 70 F CA -0.992 56.881 58.000 -0.211 0.000 0.978 70 F CB 1.026 39.757 39.000 -0.448 0.000 1.378 70 F HN 0.316 nan 8.300 nan 0.000 0.495 71 D N 1.434 121.891 120.400 0.094 0.000 2.317 71 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 71 D C 0.122 176.431 176.300 0.013 0.000 1.174 71 D CA 0.315 54.360 54.000 0.075 0.000 0.866 71 D CB 0.852 41.752 40.800 0.168 0.000 1.127 71 D HN 0.480 nan 8.370 nan 0.000 0.467 72 L N 3.141 124.371 121.223 0.011 0.000 2.808 72 L HA 0.289 4.629 4.340 -0.000 0.000 0.246 72 L C 0.663 177.556 176.870 0.037 0.000 1.153 72 L CA -0.261 54.580 54.840 0.002 0.000 0.956 72 L CB 0.213 42.266 42.059 -0.011 0.000 1.270 72 L HN -0.006 nan 8.230 nan 0.000 0.528 73 R N 0.063 120.594 120.500 0.051 0.000 2.486 73 R HA 0.323 4.663 4.340 -0.000 0.000 0.286 73 R C -0.656 175.676 176.300 0.052 0.000 0.999 73 R CA -0.717 55.412 56.100 0.048 0.000 0.993 73 R CB 0.902 31.225 30.300 0.039 0.000 1.084 73 R HN -0.129 nan 8.270 nan 0.000 0.487 74 D N 1.885 122.300 120.400 0.026 0.000 2.382 74 D HA 0.067 4.707 4.640 -0.000 0.000 0.245 74 D C -0.341 175.934 176.300 -0.042 0.000 1.120 74 D CA 0.278 54.261 54.000 -0.028 0.000 0.890 74 D CB 0.781 41.530 40.800 -0.085 0.000 1.201 74 D HN 0.346 nan 8.370 nan 0.000 0.433 75 E N 0.122 120.285 120.200 -0.061 0.000 2.195 75 E HA 0.579 4.929 4.350 -0.000 0.000 0.271 75 E C -0.724 175.820 176.600 -0.093 0.000 0.923 75 E CA -0.737 55.646 56.400 -0.028 0.000 0.790 75 E CB 1.779 31.510 29.700 0.053 0.000 1.155 75 E HN 0.150 nan 8.360 nan 0.000 0.402 76 T N 2.791 117.309 114.554 -0.061 0.000 2.991 76 T HA 0.478 4.828 4.350 -0.000 0.000 0.303 76 T C -0.834 173.849 174.700 -0.027 0.000 1.015 76 T CA -0.966 61.089 62.100 -0.075 0.000 1.007 76 T CB 0.817 69.635 68.868 -0.084 0.000 1.034 76 T HN 0.171 nan 8.240 nan 0.000 0.446 77 R N 2.658 123.149 120.500 -0.015 0.000 2.686 77 R HA 0.476 4.816 4.340 -0.000 0.000 0.283 77 R C -0.937 175.365 176.300 0.003 0.000 0.978 77 R CA -0.915 55.189 56.100 0.007 0.000 0.897 77 R CB 1.616 31.939 30.300 0.038 0.000 1.192 77 R HN 0.513 nan 8.270 nan 0.000 0.457 78 N N 1.293 119.996 118.700 0.005 0.000 2.422 78 N HA 0.273 5.013 4.740 -0.000 0.000 0.266 78 N C -0.764 174.758 175.510 0.020 0.000 1.007 78 N CA -0.242 52.812 53.050 0.007 0.000 0.941 78 N CB 2.036 40.524 38.487 0.003 0.000 1.115 78 N HN 0.172 nan 8.380 nan 0.000 0.492 79 V N 0.768 120.700 119.914 0.029 0.000 2.385 79 V HA 0.424 4.544 4.120 -0.000 0.000 0.277 79 V C 0.630 176.745 176.094 0.035 0.000 1.012 79 V CA -0.955 61.368 62.300 0.039 0.000 0.832 79 V CB 0.878 32.739 31.823 0.065 0.000 1.028 79 V HN 0.892 nan 8.190 nan 0.000 0.436 80 G N 4.969 113.783 108.800 0.025 0.000 2.381 80 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.281 80 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.281 80 G C 0.709 175.620 174.900 0.019 0.000 0.984 80 G CA 0.804 45.917 45.100 0.021 0.000 1.339 80 G HN 2.376 nan 8.290 nan 0.000 0.485 81 S N -1.898 113.810 115.700 0.014 0.000 2.524 81 S HA -0.245 4.225 4.470 -0.000 0.000 0.254 81 S C 0.517 175.123 174.600 0.011 0.000 1.258 81 S CA 2.356 60.562 58.200 0.011 0.000 1.448 81 S CB -1.479 61.727 63.200 0.011 0.000 1.806 81 S HN 1.582 nan 8.310 nan 0.000 0.630 82 Q N 0.888 120.697 119.800 0.015 0.000 2.226 82 Q HA 0.651 4.991 4.340 -0.000 0.000 0.256 82 Q C -0.908 175.090 176.000 -0.003 0.000 0.962 82 Q CA -0.300 55.508 55.803 0.010 0.000 0.887 82 Q CB 1.766 30.520 28.738 0.026 0.000 1.282 82 Q HN 0.404 nan 8.270 nan 0.000 0.449 83 T N 2.291 116.828 114.554 -0.028 0.000 2.809 83 T HA 0.414 4.764 4.350 -0.000 0.000 0.296 83 T C -0.314 174.314 174.700 -0.120 0.000 1.015 83 T CA -0.549 61.520 62.100 -0.052 0.000 0.954 83 T CB 0.238 69.078 68.868 -0.046 0.000 0.950 83 T HN 0.282 nan 8.240 nan 0.000 0.450 84 L N 3.747 124.898 121.223 -0.120 0.000 2.326 84 L HA 0.504 4.844 4.340 -0.000 0.000 0.278 84 L C 0.343 177.023 176.870 -0.318 0.000 1.092 84 L CA -0.567 54.113 54.840 -0.268 0.000 0.810 84 L CB 0.702 42.763 42.059 0.002 0.000 1.153 84 L HN 0.499 nan 8.230 nan 0.000 0.439 85 Q N 1.935 121.381 119.800 -0.590 0.000 2.305 85 Q HA 0.453 4.793 4.340 -0.000 0.000 0.271 85 Q C -0.801 174.942 176.000 -0.428 0.000 1.046 85 Q CA -0.717 54.798 55.803 -0.480 0.000 0.798 85 Q CB 3.000 31.481 28.738 -0.428 0.000 1.286 85 Q HN 0.721 nan 8.270 nan 0.000 0.435 86 T N -1.189 113.161 114.554 -0.339 0.000 2.856 86 T HA 0.775 5.125 4.350 -0.000 0.000 0.283 86 T C -0.756 173.700 174.700 -0.406 0.000 1.008 86 T CA -0.540 61.512 62.100 -0.081 0.000 0.997 86 T CB 0.655 69.616 68.868 0.155 0.000 0.992 86 T HN 0.322 nan 8.240 nan 0.000 0.454 87 F N 1.212 121.271 119.950 0.182 0.000 2.507 87 F HA 0.501 5.028 4.527 -0.000 0.000 0.328 87 F C 1.080 176.985 175.800 0.174 0.000 1.136 87 F CA -0.994 57.094 58.000 0.146 0.000 0.930 87 F CB 2.392 41.465 39.000 0.121 0.000 1.166 87 F HN 0.568 nan 8.300 nan 0.000 0.436 88 K N 1.834 122.397 120.400 0.272 0.000 2.373 88 K HA 0.387 4.707 4.320 -0.000 0.000 0.202 88 K C 0.412 177.120 176.600 0.179 0.000 1.025 88 K CA -0.216 56.198 56.287 0.211 0.000 1.115 88 K CB 0.790 33.378 32.500 0.147 0.000 0.858 88 K HN 0.606 nan 8.250 nan 0.000 0.525 89 A N 2.229 125.164 122.820 0.191 0.000 2.522 89 A HA 0.055 4.375 4.320 -0.000 0.000 0.256 89 A C 0.326 177.995 177.584 0.141 0.000 1.086 89 A CA 0.098 52.214 52.037 0.131 0.000 0.763 89 A CB -0.050 19.008 19.000 0.097 0.000 1.024 89 A HN 0.438 nan 8.150 nan 0.000 0.502 90 R N 0.870 121.435 120.500 0.108 0.000 3.770 90 R HA -0.251 4.089 4.340 -0.000 0.000 0.305 90 R C 1.067 177.505 176.300 0.230 0.000 1.184 90 R CA 1.440 57.605 56.100 0.108 0.000 0.823 90 R CB -2.441 27.889 30.300 0.049 0.000 1.285 90 R HN 1.105 nan 8.270 nan 0.000 0.499 91 Q N 0.105 120.042 119.800 0.229 0.000 2.297 91 Q HA 0.026 4.366 4.340 -0.000 0.000 0.204 91 Q C 1.106 177.261 176.000 0.258 0.000 0.962 91 Q CA 1.287 57.250 55.803 0.267 0.000 0.879 91 Q CB 0.170 29.014 28.738 0.177 0.000 0.947 91 Q HN 0.462 nan 8.270 nan 0.000 0.462 92 G N 1.672 110.602 108.800 0.218 0.000 2.248 92 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.263 92 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.263 92 G C -0.368 174.451 174.900 -0.133 0.000 1.082 92 G CA 0.046 45.222 45.100 0.126 0.000 0.863 92 G HN 0.405 nan 8.290 nan 0.000 0.495 93 L N 0.219 121.374 121.223 -0.114 0.000 2.584 93 L HA 0.495 4.835 4.340 -0.000 0.000 0.272 93 L C 1.490 178.246 176.870 -0.190 0.000 1.195 93 L CA 1.807 56.525 54.840 -0.203 0.000 0.920 93 L CB 0.361 42.251 42.059 -0.282 0.000 1.173 93 L HN 1.728 nan 8.230 nan 0.000 0.489 94 G N 3.020 111.693 108.800 -0.210 0.000 2.141 94 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.231 94 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.231 94 G C 0.856 175.665 174.900 -0.153 0.000 0.984 94 G CA 0.329 45.342 45.100 -0.146 0.000 0.660 94 G HN 1.294 nan 8.290 nan 0.000 0.525 95 A N -0.497 122.156 122.820 -0.278 0.000 2.067 95 A HA 0.509 4.829 4.320 -0.000 0.000 0.219 95 A C 1.609 179.117 177.584 -0.126 0.000 1.158 95 A CA 2.242 54.060 52.037 -0.366 0.000 0.661 95 A CB -0.183 18.388 19.000 -0.714 0.000 0.801 95 A HN 2.140 nan 8.150 nan 0.000 0.452 96 S N -1.599 114.002 115.700 -0.163 0.000 2.541 96 S HA 0.642 5.112 4.470 -0.000 0.000 0.271 96 S C -0.844 173.701 174.600 -0.091 0.000 1.133 96 S CA -0.082 58.056 58.200 -0.102 0.000 0.876 96 S CB 1.588 64.697 63.200 -0.152 0.000 1.105 96 S HN 1.318 nan 8.310 nan 0.000 0.470 97 V N -1.015 118.865 119.914 -0.057 0.000 3.049 97 V HA 1.016 5.136 4.120 -0.000 0.000 0.309 97 V C -0.833 175.251 176.094 -0.017 0.000 1.148 97 V CA -0.759 61.517 62.300 -0.041 0.000 0.990 97 V CB 1.121 32.923 31.823 -0.034 0.000 1.039 97 V HN 1.541 nan 8.190 nan 0.000 0.430 98 V N 1.713 121.635 119.914 0.012 0.000 2.924 98 V HA 0.770 4.890 4.120 -0.000 0.000 0.300 98 V C -0.713 175.446 176.094 0.110 0.000 1.227 98 V CA 0.458 62.791 62.300 0.054 0.000 0.954 98 V CB 2.329 34.178 31.823 0.044 0.000 1.055 98 V HN 1.529 nan 8.190 nan 0.000 0.429 99 S N 5.809 121.607 115.700 0.163 0.000 2.475 99 S HA 0.784 5.254 4.470 -0.000 0.000 0.298 99 S C -1.509 173.286 174.600 0.325 0.000 1.119 99 S CA -0.401 57.946 58.200 0.245 0.000 1.085 99 S CB 1.121 64.510 63.200 0.315 0.000 1.028 99 S HN 1.023 nan 8.310 nan 0.000 0.489 100 W N 4.595 125.978 121.300 0.138 0.000 2.957 100 W HA 0.539 5.199 4.660 -0.000 0.000 0.336 100 W C 0.330 176.916 176.519 0.111 0.000 1.087 100 W CA 0.349 57.756 57.345 0.105 0.000 1.235 100 W CB 1.153 30.657 29.460 0.073 0.000 1.399 100 W HN 0.913 nan 8.180 nan 0.000 0.480 101 S N 2.597 117.786 115.700 -0.853 0.000 4.054 101 S HA -0.372 4.098 4.470 -0.000 0.000 0.618 101 S C 0.674 175.102 174.600 -0.286 0.000 2.026 101 S CA 2.215 59.936 58.200 -0.798 0.000 4.205 101 S CB -1.219 61.145 63.200 -1.394 0.000 0.233 101 S HN 0.959 nan 8.310 nan 0.000 0.612 102 D N 1.783 122.068 120.400 -0.191 0.000 2.491 102 D HA 0.420 5.060 4.640 -0.000 0.000 0.228 102 D C -0.022 176.392 176.300 0.191 0.000 1.183 102 D CA 0.023 54.041 54.000 0.030 0.000 0.827 102 D CB -0.208 40.565 40.800 -0.045 0.000 0.989 102 D HN 0.382 nan 8.370 nan 0.000 0.494 103 V N 0.749 120.804 119.914 0.234 0.000 2.540 103 V HA 0.403 4.523 4.120 -0.000 0.000 0.302 103 V C 0.055 176.291 176.094 0.236 0.000 1.035 103 V CA -0.881 61.586 62.300 0.277 0.000 0.873 103 V CB 2.202 34.274 31.823 0.414 0.000 0.992 103 V HN 0.070 nan 8.190 nan 0.000 0.428 104 I N 4.369 125.021 120.570 0.136 0.000 2.354 104 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 104 I C -0.650 175.554 176.117 0.144 0.000 0.989 104 I CA -0.777 60.563 61.300 0.067 0.000 1.188 104 I CB 1.980 39.940 38.000 -0.067 0.000 1.342 104 I HN 0.278 nan 8.210 nan 0.000 0.457 105 V N 5.924 125.900 119.914 0.104 0.000 2.357 105 V HA 0.679 4.799 4.120 -0.000 0.000 0.284 105 V C 0.173 176.263 176.094 -0.007 0.000 1.018 105 V CA -0.450 61.882 62.300 0.054 0.000 0.841 105 V CB 1.283 33.125 31.823 0.032 0.000 0.991 105 V HN 0.820 nan 8.190 nan 0.000 0.437 106 A N 4.316 127.095 122.820 -0.068 0.000 2.343 106 A HA 0.787 5.107 4.320 -0.000 0.000 0.316 106 A C -0.568 176.919 177.584 -0.162 0.000 1.104 106 A CA -0.377 51.566 52.037 -0.157 0.000 0.768 106 A CB 1.273 20.112 19.000 -0.269 0.000 1.213 106 A HN 0.809 nan 8.150 nan 0.000 0.456 107 c N 1.235 119.739 118.600 -0.161 0.000 2.529 107 c HA 0.855 5.425 4.570 -0.000 0.000 0.329 107 c C 0.724 174.693 174.090 -0.203 0.000 1.194 107 c CA -0.242 55.993 56.329 -0.155 0.000 1.779 107 c CB 1.324 43.715 42.510 -0.198 0.000 2.322 107 c HN 1.060 nan 8.230 nan 0.000 0.500 108 A N 2.942 125.670 122.820 -0.154 0.000 2.664 108 A HA 0.589 4.909 4.320 -0.000 0.000 0.338 108 A C -2.031 175.361 177.584 -0.320 0.000 1.280 108 A CA -0.954 50.965 52.037 -0.197 0.000 0.809 108 A CB 0.176 19.185 19.000 0.016 0.000 1.114 108 A HN 0.654 nan 8.150 nan 0.000 0.479 109 P HA -0.084 nan 4.420 nan 0.000 0.222 109 P C 0.483 177.436 177.300 -0.578 0.000 1.147 109 P CA 1.027 63.695 63.100 -0.720 0.000 0.790 109 P CB 0.162 31.185 31.700 -1.127 0.000 0.780 110 W N -0.744 120.524 121.300 -0.052 0.000 3.123 110 W HA 0.340 5.000 4.660 -0.000 0.000 0.383 110 W C 0.395 176.896 176.519 -0.029 0.000 1.102 110 W CA -0.495 56.816 57.345 -0.058 0.000 1.865 110 W CB -1.058 28.404 29.460 0.002 0.000 1.111 110 W HN 0.067 nan 8.180 nan 0.000 0.621 111 Q N 1.327 121.195 119.800 0.113 0.000 2.263 111 Q HA -0.045 4.295 4.340 -0.000 0.000 0.289 111 Q C -0.609 175.471 176.000 0.134 0.000 1.061 111 Q CA 0.906 56.813 55.803 0.173 0.000 0.927 111 Q CB 0.474 29.285 28.738 0.122 0.000 1.154 111 Q HN 0.148 nan 8.270 nan 0.000 0.378 112 H N 2.682 121.920 119.070 0.279 0.000 2.496 112 H HA 0.466 5.022 4.556 -0.000 0.000 0.342 112 H C -1.079 174.551 175.328 0.504 0.000 1.170 112 H CA -0.224 56.018 56.048 0.323 0.000 1.274 112 H CB 1.001 30.899 29.762 0.226 0.000 1.538 112 H HN 0.639 nan 8.280 nan 0.000 0.542 113 W N 2.539 124.044 121.300 0.343 0.000 3.256 113 W HA 0.384 5.044 4.660 -0.000 0.000 0.324 113 W C -1.948 174.725 176.519 0.258 0.000 1.196 113 W CA -0.439 57.057 57.345 0.251 0.000 1.206 113 W CB 2.151 31.648 29.460 0.061 0.000 1.385 113 W HN 0.563 nan 8.180 nan 0.000 0.522 114 N N 2.522 120.879 118.700 -0.571 0.000 2.484 114 N HA 0.615 5.355 4.740 -0.000 0.000 0.269 114 N C -2.242 172.817 175.510 -0.752 0.000 1.237 114 N CA -0.381 52.395 53.050 -0.455 0.000 0.838 114 N CB 2.601 41.086 38.487 -0.002 0.000 1.593 114 N HN 0.136 nan 8.380 nan 0.000 0.485 115 V N 2.460 122.141 119.914 -0.390 0.000 2.577 115 V HA 0.525 4.645 4.120 -0.000 0.000 0.303 115 V C -0.413 175.624 176.094 -0.096 0.000 1.042 115 V CA -0.690 61.456 62.300 -0.256 0.000 0.872 115 V CB 1.550 33.309 31.823 -0.107 0.000 0.998 115 V HN 0.490 nan 8.190 nan 0.000 0.423 116 L N 3.873 125.051 121.223 -0.075 0.000 2.317 116 L HA 0.724 5.064 4.340 -0.000 0.000 0.281 116 L C -0.148 176.715 176.870 -0.011 0.000 1.024 116 L CA -0.335 54.489 54.840 -0.027 0.000 0.810 116 L CB 1.814 43.861 42.059 -0.020 0.000 1.240 116 L HN 0.711 nan 8.230 nan 0.000 0.427 117 E N 4.085 124.287 120.200 0.003 0.000 2.432 117 E HA 0.272 4.622 4.350 -0.000 0.000 0.272 117 E C -0.701 175.905 176.600 0.010 0.000 0.937 117 E CA -0.370 56.035 56.400 0.008 0.000 0.812 117 E CB 0.965 30.674 29.700 0.014 0.000 1.377 117 E HN 0.599 nan 8.360 nan 0.000 0.399 118 K N 0.061 120.466 120.400 0.008 0.000 1.751 118 K HA -0.307 4.013 4.320 -0.000 0.000 0.134 118 K C 1.147 177.753 176.600 0.010 0.000 1.167 118 K CA 2.253 58.545 56.287 0.009 0.000 0.330 118 K CB -1.581 30.925 32.500 0.009 0.000 0.663 118 K HN 0.652 nan 8.250 nan 0.000 0.817 119 T N -0.028 114.533 114.554 0.012 0.000 3.100 119 T HA 0.112 4.462 4.350 -0.000 0.000 0.253 119 T C 0.512 175.224 174.700 0.019 0.000 1.118 119 T CA 0.479 62.587 62.100 0.014 0.000 1.058 119 T CB 0.007 68.884 68.868 0.014 0.000 0.953 119 T HN 0.342 nan 8.240 nan 0.000 0.515 120 E N 1.189 121.401 120.200 0.020 0.000 2.254 120 E HA 0.559 4.909 4.350 -0.000 0.000 0.261 120 E C -0.197 176.420 176.600 0.029 0.000 1.051 120 E CA -0.838 55.580 56.400 0.029 0.000 0.902 120 E CB 1.038 30.756 29.700 0.030 0.000 1.168 120 E HN 0.718 nan 8.360 nan 0.000 0.423 121 E N -1.076 119.150 120.200 0.043 0.000 2.454 121 E HA 0.561 4.911 4.350 -0.000 0.000 0.279 121 E C -0.723 175.924 176.600 0.078 0.000 1.029 121 E CA -0.892 55.533 56.400 0.042 0.000 0.831 121 E CB 1.053 30.771 29.700 0.031 0.000 1.405 121 E HN 0.374 nan 8.360 nan 0.000 0.463 122 A N 0.625 123.492 122.820 0.078 0.000 2.178 122 A HA 0.141 4.461 4.320 -0.000 0.000 0.211 122 A C -0.079 177.587 177.584 0.138 0.000 1.157 122 A CA 0.808 52.935 52.037 0.150 0.000 0.780 122 A CB -0.604 18.495 19.000 0.165 0.000 0.828 122 A HN 0.615 nan 8.150 nan 0.000 0.476 123 E N -1.202 119.054 120.200 0.093 0.000 7.592 123 E HA -0.113 4.237 4.350 -0.000 0.000 0.435 123 E C -0.664 175.988 176.600 0.086 0.000 0.467 123 E CA 0.194 56.649 56.400 0.093 0.000 0.881 123 E CB -0.345 29.436 29.700 0.135 0.000 0.959 123 E HN 0.499 nan 8.360 nan 0.000 0.262 124 K N 2.781 123.218 120.400 0.063 0.000 2.315 124 K HA 0.225 4.545 4.320 -0.000 0.000 0.291 124 K C -0.497 176.235 176.600 0.220 0.000 1.074 124 K CA 0.580 56.912 56.287 0.074 0.000 0.936 124 K CB 0.357 32.788 32.500 -0.115 0.000 1.049 124 K HN 0.459 nan 8.250 nan 0.000 0.471 125 T N 1.223 115.952 114.554 0.293 0.000 2.903 125 T HA 0.447 4.797 4.350 -0.000 0.000 0.299 125 T C -2.851 171.887 174.700 0.062 0.000 1.093 125 T CA -2.118 60.141 62.100 0.265 0.000 1.002 125 T CB 1.892 70.846 68.868 0.142 0.000 1.127 125 T HN 0.321 nan 8.240 nan 0.000 0.488 126 P HA 0.221 nan 4.420 nan 0.000 0.247 126 P C 1.334 178.527 177.300 -0.178 0.000 1.756 126 P CA -0.536 62.304 63.100 -0.433 0.000 1.117 126 P CB 0.218 31.687 31.700 -0.385 0.000 1.869 127 V N 0.307 120.135 119.914 -0.143 0.000 2.809 127 V HA 0.209 4.329 4.120 -0.000 0.000 0.256 127 V C 1.018 176.960 176.094 -0.252 0.000 1.080 127 V CA 0.993 63.161 62.300 -0.220 0.000 1.102 127 V CB -1.851 29.799 31.823 -0.288 0.000 0.705 127 V HN 0.645 nan 8.190 nan 0.000 0.475 128 G N -0.396 108.282 108.800 -0.202 0.000 2.829 128 G HA2 0.098 4.058 3.960 -0.000 0.000 0.628 128 G HA3 0.098 4.058 3.960 -0.000 0.000 0.628 128 G C -0.350 174.388 174.900 -0.271 0.000 1.412 128 G CA 0.076 45.041 45.100 -0.225 0.000 0.864 128 G HN 1.674 nan 8.290 nan 0.000 0.544 129 S N -1.737 113.802 115.700 -0.269 0.000 2.558 129 S HA 0.612 5.082 4.470 -0.000 0.000 0.277 129 S C -0.572 173.824 174.600 -0.340 0.000 1.143 129 S CA 0.140 58.122 58.200 -0.363 0.000 0.865 129 S CB 1.093 64.056 63.200 -0.395 0.000 1.102 129 S HN 1.570 nan 8.310 nan 0.000 0.454 130 c N 3.453 121.816 118.600 -0.396 0.000 2.456 130 c HA 0.766 5.336 4.570 -0.000 0.000 0.325 130 c C -0.971 172.850 174.090 -0.449 0.000 1.217 130 c CA -0.632 55.528 56.329 -0.281 0.000 1.687 130 c CB 0.034 42.454 42.510 -0.151 0.000 2.270 130 c HN 0.741 nan 8.230 nan 0.000 0.499 131 F N 2.637 122.407 119.950 -0.300 0.000 2.443 131 F HA 0.713 5.240 4.527 -0.000 0.000 0.335 131 F C -0.068 175.621 175.800 -0.185 0.000 1.104 131 F CA -0.735 57.079 58.000 -0.309 0.000 1.013 131 F CB 0.848 39.478 39.000 -0.618 0.000 1.136 131 F HN 0.173 nan 8.300 nan 0.000 0.470 132 L N 3.012 124.257 121.223 0.038 0.000 2.346 132 L HA 0.855 5.195 4.340 -0.000 0.000 0.276 132 L C -0.362 176.671 176.870 0.271 0.000 1.006 132 L CA -0.574 54.305 54.840 0.065 0.000 0.817 132 L CB 1.820 43.712 42.059 -0.279 0.000 1.272 132 L HN 0.738 nan 8.230 nan 0.000 0.421 133 A N 2.312 125.354 122.820 0.370 0.000 2.414 133 A HA 0.704 5.024 4.320 -0.000 0.000 0.306 133 A C -0.941 176.810 177.584 0.278 0.000 1.054 133 A CA -0.511 51.709 52.037 0.306 0.000 0.724 133 A CB 1.554 20.642 19.000 0.147 0.000 1.267 133 A HN 0.657 nan 8.150 nan 0.000 0.418 134 Q N 2.750 122.675 119.800 0.208 0.000 2.560 134 Q HA 0.333 4.673 4.340 -0.000 0.000 0.238 134 Q C -2.016 174.020 176.000 0.059 0.000 1.079 134 Q CA -2.086 53.775 55.803 0.097 0.000 0.866 134 Q CB 0.972 29.697 28.738 -0.022 0.000 1.153 134 Q HN 0.473 nan 8.270 nan 0.000 0.530 135 P HA -0.225 nan 4.420 nan 0.000 0.216 135 P C 0.280 177.603 177.300 0.038 0.000 1.153 135 P CA 1.410 64.527 63.100 0.029 0.000 0.858 135 P CB 0.385 32.117 31.700 0.053 0.000 0.789 136 E N -0.478 119.758 120.200 0.061 0.000 2.028 136 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 136 E C 2.139 178.755 176.600 0.027 0.000 0.988 136 E CA 1.774 58.205 56.400 0.051 0.000 0.799 136 E CB -0.433 29.303 29.700 0.059 0.000 0.755 136 E HN 0.320 nan 8.360 nan 0.000 0.447 137 S N -1.007 114.701 115.700 0.014 0.000 2.461 137 S HA 0.091 4.561 4.470 -0.000 0.000 0.228 137 S C 1.762 176.368 174.600 0.010 0.000 1.005 137 S CA 0.641 58.843 58.200 0.004 0.000 0.942 137 S CB 0.451 63.641 63.200 -0.017 0.000 0.776 137 S HN 0.438 nan 8.310 nan 0.000 0.514 138 G N 1.395 110.203 108.800 0.014 0.000 2.225 138 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.254 138 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.254 138 G C 0.232 175.157 174.900 0.042 0.000 0.988 138 G CA -0.004 45.103 45.100 0.011 0.000 0.625 138 G HN 0.580 nan 8.290 nan 0.000 0.527 139 R N 0.482 121.021 120.500 0.066 0.000 2.638 139 R HA 0.376 4.716 4.340 -0.000 0.000 0.268 139 R C 0.370 176.820 176.300 0.250 0.000 1.006 139 R CA 0.401 56.586 56.100 0.143 0.000 1.088 139 R CB 0.236 30.595 30.300 0.098 0.000 0.950 139 R HN 0.185 nan 8.270 nan 0.000 0.419 140 R N 0.317 120.986 120.500 0.282 0.000 2.795 140 R HA 0.713 5.053 4.340 -0.000 0.000 0.275 140 R C -1.053 175.278 176.300 0.050 0.000 0.981 140 R CA -0.864 55.364 56.100 0.213 0.000 0.917 140 R CB 2.358 32.739 30.300 0.135 0.000 1.202 140 R HN 0.753 nan 8.270 nan 0.000 0.469 141 A N 1.005 123.632 122.820 -0.323 0.000 2.602 141 A HA 0.706 5.026 4.320 -0.000 0.000 0.290 141 A C -1.312 175.777 177.584 -0.824 0.000 1.114 141 A CA -0.647 50.877 52.037 -0.854 0.000 0.683 141 A CB 2.054 20.431 19.000 -1.040 0.000 1.281 141 A HN 0.614 nan 8.150 nan 0.000 0.416 142 E N -1.044 118.586 120.200 -0.950 0.000 2.392 142 E HA 0.581 4.931 4.350 -0.000 0.000 0.269 142 E C -2.219 174.391 176.600 0.017 0.000 0.924 142 E CA -0.545 55.571 56.400 -0.473 0.000 0.784 142 E CB 2.632 32.091 29.700 -0.401 0.000 1.292 142 E HN 0.547 nan 8.360 nan 0.000 0.447 143 Y N 0.487 120.641 120.300 -0.243 0.000 2.298 143 Y HA 0.281 4.831 4.550 -0.000 0.000 0.322 143 Y C -1.344 174.315 175.900 -0.401 0.000 1.138 143 Y CA -0.608 57.349 58.100 -0.237 0.000 1.127 143 Y CB 1.744 40.067 38.460 -0.228 0.000 1.178 143 Y HN 0.356 nan 8.280 nan 0.000 0.428 144 S N 8.519 123.684 115.700 -0.891 0.000 2.158 144 S HA 0.328 4.798 4.470 -0.000 0.000 0.160 144 S C -2.075 171.885 174.600 -1.066 0.000 1.693 144 S CA -1.229 56.430 58.200 -0.901 0.000 1.251 144 S CB 0.554 63.321 63.200 -0.721 0.000 1.153 144 S HN 0.598 nan 8.310 nan 0.000 0.439 145 P HA 0.056 nan 4.420 nan 0.000 0.226 145 P C 0.856 177.761 177.300 -0.658 0.000 1.153 145 P CA 0.656 63.190 63.100 -0.942 0.000 0.777 145 P CB -0.131 31.049 31.700 -0.867 0.000 0.794 146 c N -0.618 117.609 118.600 -0.623 0.000 2.697 146 c HA 0.240 4.810 4.570 -0.000 0.000 0.267 146 c C 1.380 175.151 174.090 -0.531 0.000 1.278 146 c CA -0.495 55.540 56.329 -0.490 0.000 1.708 146 c CB -1.426 40.822 42.510 -0.436 0.000 1.860 146 c HN 0.178 nan 8.230 nan 0.000 0.589 147 R N 1.141 121.189 120.500 -0.753 0.000 2.590 147 R HA 0.437 4.777 4.340 -0.000 0.000 0.274 147 R C 0.483 176.460 176.300 -0.539 0.000 1.061 147 R CA 0.552 56.038 56.100 -1.023 0.000 1.081 147 R CB 0.346 29.728 30.300 -1.530 0.000 0.984 147 R HN 0.517 nan 8.270 nan 0.000 0.448 148 G N 0.542 109.236 108.800 -0.177 0.000 2.725 148 G HA2 0.212 4.172 3.960 -0.000 0.000 0.288 148 G HA3 0.212 4.172 3.960 -0.000 0.000 0.288 148 G C -0.766 174.358 174.900 0.374 0.000 1.399 148 G CA -0.688 44.486 45.100 0.123 0.000 0.859 148 G HN 0.685 nan 8.290 nan 0.000 0.479 149 N N -0.846 118.011 118.700 0.263 0.000 2.451 149 N HA 0.144 4.884 4.740 -0.000 0.000 0.271 149 N C -0.344 175.253 175.510 0.144 0.000 1.410 149 N CA -0.335 52.856 53.050 0.235 0.000 0.884 149 N CB 0.708 39.316 38.487 0.203 0.000 1.332 149 N HN 0.243 nan 8.380 nan 0.000 0.498 150 T N 1.555 116.197 114.554 0.146 0.000 2.817 150 T HA 0.366 4.716 4.350 -0.000 0.000 0.293 150 T C 0.597 175.357 174.700 0.101 0.000 0.964 150 T CA -0.396 61.716 62.100 0.020 0.000 1.085 150 T CB 1.174 69.914 68.868 -0.214 0.000 0.921 150 T HN 0.128 nan 8.240 nan 0.000 0.502 151 L N 1.995 123.237 121.223 0.033 0.000 2.418 151 L HA 0.239 4.579 4.340 -0.000 0.000 0.265 151 L C 2.071 179.027 176.870 0.143 0.000 1.143 151 L CA -0.419 54.475 54.840 0.090 0.000 0.809 151 L CB 0.626 42.711 42.059 0.044 0.000 1.124 151 L HN 0.696 nan 8.230 nan 0.000 0.456 152 S N 1.216 117.036 115.700 0.200 0.000 2.372 152 S HA -0.258 4.212 4.470 -0.000 0.000 0.227 152 S C 2.043 176.746 174.600 0.172 0.000 1.044 152 S CA 2.022 60.377 58.200 0.259 0.000 1.050 152 S CB -0.216 63.093 63.200 0.181 0.000 0.901 152 S HN 0.694 nan 8.310 nan 0.000 0.447 153 R N 0.173 120.721 120.500 0.080 0.000 2.117 153 R HA -0.100 4.240 4.340 -0.000 0.000 0.243 153 R C 2.084 178.365 176.300 -0.032 0.000 1.143 153 R CA 1.896 58.010 56.100 0.023 0.000 0.968 153 R CB -0.350 29.957 30.300 0.012 0.000 0.863 153 R HN 0.432 nan 8.270 nan 0.000 0.444 154 I N 0.212 120.739 120.570 -0.072 0.000 2.252 154 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 154 I C 1.851 177.842 176.117 -0.211 0.000 1.102 154 I CA 1.386 62.590 61.300 -0.160 0.000 1.385 154 I CB -1.203 36.652 38.000 -0.241 0.000 1.064 154 I HN 0.187 nan 8.210 nan 0.000 0.414 155 Y N 0.777 121.003 120.300 -0.123 0.000 2.224 155 Y HA -0.160 4.390 4.550 -0.000 0.000 0.289 155 Y C 2.677 178.174 175.900 -0.671 0.000 1.146 155 Y CA 1.028 58.959 58.100 -0.281 0.000 1.182 155 Y CB -1.059 37.298 38.460 -0.172 0.000 0.983 155 Y HN -0.087 nan 8.280 nan 0.000 0.524 156 V N -0.103 119.571 119.914 -0.400 0.000 2.427 156 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 156 V C 1.857 177.794 176.094 -0.261 0.000 1.051 156 V CA 2.014 64.041 62.300 -0.454 0.000 1.048 156 V CB -0.503 31.232 31.823 -0.148 0.000 0.666 156 V HN 0.400 nan 8.190 nan 0.000 0.456 157 E N 0.288 120.389 120.200 -0.164 0.000 2.208 157 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 157 E C 1.829 178.366 176.600 -0.105 0.000 0.988 157 E CA 0.830 57.169 56.400 -0.102 0.000 0.828 157 E CB -0.175 29.484 29.700 -0.068 0.000 0.763 157 E HN 0.534 nan 8.360 nan 0.000 0.478 158 N N 1.102 119.720 118.700 -0.137 0.000 2.512 158 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 158 N C -0.419 175.014 175.510 -0.128 0.000 1.073 158 N CA 0.659 53.641 53.050 -0.113 0.000 0.911 158 N CB 0.051 38.490 38.487 -0.081 0.000 0.964 158 N HN 0.070 nan 8.380 nan 0.000 0.447 159 D N -0.095 120.216 120.400 -0.149 0.000 2.699 159 D HA -0.230 4.410 4.640 -0.000 0.000 0.239 159 D C -0.803 175.540 176.300 0.071 0.000 1.136 159 D CA 0.364 54.340 54.000 -0.039 0.000 0.668 159 D CB -1.319 39.471 40.800 -0.017 0.000 1.060 159 D HN 0.285 nan 8.370 nan 0.000 0.429 160 F N -1.657 118.313 119.950 0.033 0.000 2.983 160 F HA -0.284 4.243 4.527 -0.000 0.000 0.288 160 F C 0.854 176.674 175.800 0.033 0.000 0.980 160 F CA 0.705 58.771 58.000 0.109 0.000 0.965 160 F CB -2.106 36.893 39.000 -0.002 0.000 0.967 160 F HN -0.111 nan 8.300 nan 0.000 0.800 161 S N -0.061 115.659 115.700 0.034 0.000 2.562 161 S HA 0.311 4.781 4.470 -0.000 0.000 0.275 161 S C 0.065 174.693 174.600 0.046 0.000 1.281 161 S CA -0.323 57.692 58.200 -0.309 0.000 1.045 161 S CB 0.823 63.501 63.200 -0.871 0.000 0.962 161 S HN 0.487 nan 8.310 nan 0.000 0.503 162 W N 1.011 122.454 121.300 0.238 0.000 5.770 162 W HA -0.163 4.497 4.660 -0.000 0.000 0.389 162 W C -0.302 176.461 176.519 0.408 0.000 1.469 162 W CA 0.156 57.710 57.345 0.348 0.000 0.975 162 W CB -1.878 27.715 29.460 0.222 0.000 2.622 162 W HN 0.699 nan 8.180 nan 0.000 1.500 163 D N 1.162 121.864 120.400 0.504 0.000 2.441 163 D HA 0.198 4.838 4.640 -0.000 0.000 0.221 163 D C 0.893 177.156 176.300 -0.062 0.000 1.156 163 D CA 0.140 54.259 54.000 0.197 0.000 0.896 163 D CB 0.410 41.337 40.800 0.212 0.000 1.028 163 D HN 0.172 nan 8.370 nan 0.000 0.509 164 K N 2.703 123.005 120.400 -0.164 0.000 2.493 164 K HA 0.198 4.518 4.320 -0.000 0.000 0.207 164 K C 1.423 177.739 176.600 -0.472 0.000 1.033 164 K CA -0.259 55.827 56.287 -0.335 0.000 1.161 164 K CB 0.923 33.266 32.500 -0.261 0.000 0.873 164 K HN 0.174 nan 8.250 nan 0.000 0.491 165 R N 0.029 120.076 120.500 -0.756 0.000 2.235 165 R HA -0.067 4.273 4.340 -0.000 0.000 0.213 165 R C 0.422 176.254 176.300 -0.781 0.000 1.059 165 R CA 1.121 56.734 56.100 -0.811 0.000 0.997 165 R CB 0.083 29.774 30.300 -1.014 0.000 0.884 165 R HN 0.293 nan 8.270 nan 0.000 0.462 166 Y N -3.021 117.083 120.300 -0.326 0.000 2.706 166 Y HA 0.211 4.761 4.550 -0.000 0.000 0.255 166 Y C 1.601 177.317 175.900 -0.307 0.000 1.163 166 Y CA -1.238 56.658 58.100 -0.340 0.000 1.174 166 Y CB -0.790 37.306 38.460 -0.606 0.000 1.200 166 Y HN -0.088 nan 8.280 nan 0.000 0.544 167 c N 0.905 119.354 118.600 -0.253 0.000 2.349 167 c HA -0.291 4.279 4.570 -0.000 0.000 0.274 167 c C 1.292 175.285 174.090 -0.163 0.000 1.178 167 c CA 2.075 58.261 56.329 -0.238 0.000 1.769 167 c CB -0.816 41.514 42.510 -0.300 0.000 2.047 167 c HN 0.728 nan 8.230 nan 0.000 0.448 168 E N -0.772 119.337 120.200 -0.150 0.000 2.246 168 E HA -0.203 4.147 4.350 -0.000 0.000 0.211 168 E C 0.007 176.506 176.600 -0.169 0.000 1.278 168 E CA 0.043 56.362 56.400 -0.134 0.000 0.694 168 E CB -1.401 28.294 29.700 -0.010 0.000 1.166 168 E HN 0.771 nan 8.360 nan 0.000 0.370 169 A N 0.416 123.098 122.820 -0.231 0.000 2.520 169 A HA 0.443 4.763 4.320 -0.000 0.000 0.245 169 A C 1.628 179.075 177.584 -0.228 0.000 1.072 169 A CA 0.941 52.833 52.037 -0.242 0.000 0.761 169 A CB 0.299 19.101 19.000 -0.330 0.000 1.004 169 A HN 1.152 nan 8.150 nan 0.000 0.499 170 G N 1.144 109.837 108.800 -0.178 0.000 2.157 170 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.239 170 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.239 170 G C 0.705 175.487 174.900 -0.196 0.000 0.982 170 G CA 0.679 45.669 45.100 -0.182 0.000 0.650 170 G HN 1.128 nan 8.290 nan 0.000 0.527 171 F N 2.512 122.268 119.950 -0.322 0.000 2.087 171 F HA 0.055 4.582 4.527 -0.000 0.000 0.299 171 F C 1.784 177.428 175.800 -0.260 0.000 1.100 171 F CA 2.506 60.304 58.000 -0.337 0.000 1.226 171 F CB 0.037 38.856 39.000 -0.302 0.000 0.983 171 F HN 0.560 nan 8.300 nan 0.000 0.479 172 S N -1.079 114.628 115.700 0.012 0.000 2.599 172 S HA 0.713 5.183 4.470 -0.000 0.000 0.294 172 S C -0.635 173.908 174.600 -0.096 0.000 1.094 172 S CA -0.121 58.039 58.200 -0.066 0.000 0.931 172 S CB 1.920 65.107 63.200 -0.022 0.000 1.093 172 S HN 0.391 nan 8.310 nan 0.000 0.488 173 S N -0.308 115.332 115.700 -0.099 0.000 2.533 173 S HA 0.769 5.239 4.470 -0.000 0.000 0.271 173 S C -1.310 173.240 174.600 -0.083 0.000 1.143 173 S CA -0.755 57.386 58.200 -0.099 0.000 0.891 173 S CB 1.149 64.295 63.200 -0.091 0.000 1.105 173 S HN 1.791 nan 8.310 nan 0.000 0.468 174 V N 2.177 122.034 119.914 -0.095 0.000 2.932 174 V HA 0.750 4.870 4.120 -0.000 0.000 0.307 174 V C -1.582 174.460 176.094 -0.088 0.000 1.147 174 V CA -0.509 61.749 62.300 -0.070 0.000 0.951 174 V CB 2.079 33.859 31.823 -0.072 0.000 1.031 174 V HN 1.050 nan 8.190 nan 0.000 0.426 175 V N 5.124 125.006 119.914 -0.053 0.000 2.459 175 V HA 0.556 4.676 4.120 -0.000 0.000 0.295 175 V C 0.626 176.659 176.094 -0.102 0.000 1.029 175 V CA -0.003 62.221 62.300 -0.127 0.000 0.874 175 V CB 1.820 33.570 31.823 -0.122 0.000 0.985 175 V HN 1.083 nan 8.190 nan 0.000 0.438 176 T N 0.995 115.456 114.554 -0.157 0.000 2.766 176 T HA 0.104 4.454 4.350 -0.000 0.000 0.295 176 T C 0.974 175.635 174.700 -0.064 0.000 1.024 176 T CA 0.083 62.144 62.100 -0.066 0.000 1.018 176 T CB 0.975 69.821 68.868 -0.037 0.000 1.002 176 T HN 0.694 nan 8.240 nan 0.000 0.532 177 Q N 0.446 120.287 119.800 0.067 0.000 2.170 177 Q HA -0.082 4.258 4.340 -0.000 0.000 0.203 177 Q C 2.276 178.419 176.000 0.238 0.000 0.976 177 Q CA 1.396 57.319 55.803 0.201 0.000 0.858 177 Q CB -0.647 28.183 28.738 0.153 0.000 0.907 177 Q HN 0.925 nan 8.270 nan 0.000 0.433 178 A N -0.513 122.345 122.820 0.062 0.000 2.167 178 A HA 0.200 4.520 4.320 -0.000 0.000 0.214 178 A C 1.366 178.875 177.584 -0.126 0.000 1.151 178 A CA 0.972 53.036 52.037 0.044 0.000 0.735 178 A CB -0.278 18.719 19.000 -0.004 0.000 0.802 178 A HN 0.590 nan 8.150 nan 0.000 0.467 179 G N -0.641 107.819 108.800 -0.568 0.000 2.141 179 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.195 179 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.195 179 G C -0.415 174.011 174.900 -0.789 0.000 1.012 179 G CA 0.061 44.297 45.100 -1.440 0.000 0.696 179 G HN 0.523 nan 8.290 nan 0.000 0.508 180 E N -0.111 119.806 120.200 -0.472 0.000 2.194 180 E HA 0.536 4.886 4.350 -0.000 0.000 0.284 180 E C 0.358 176.774 176.600 -0.306 0.000 1.035 180 E CA -0.703 55.512 56.400 -0.307 0.000 0.836 180 E CB 1.546 31.148 29.700 -0.163 0.000 1.070 180 E HN 0.307 nan 8.360 nan 0.000 0.401 181 L N 4.500 125.546 121.223 -0.295 0.000 2.367 181 L HA 0.223 4.563 4.340 -0.000 0.000 0.275 181 L C -1.109 175.641 176.870 -0.200 0.000 1.129 181 L CA -0.121 54.576 54.840 -0.238 0.000 0.839 181 L CB 0.801 42.715 42.059 -0.241 0.000 1.133 181 L HN 0.317 nan 8.230 nan 0.000 0.453 182 V N 7.000 126.798 119.914 -0.193 0.000 2.407 182 V HA 0.409 4.529 4.120 -0.000 0.000 0.291 182 V C -0.047 175.939 176.094 -0.180 0.000 1.018 182 V CA -0.596 61.565 62.300 -0.232 0.000 0.842 182 V CB 1.350 32.930 31.823 -0.405 0.000 0.996 182 V HN 0.600 nan 8.190 nan 0.000 0.426 183 L N 3.915 125.057 121.223 -0.135 0.000 2.309 183 L HA 0.745 5.085 4.340 -0.000 0.000 0.282 183 L C 0.844 177.623 176.870 -0.152 0.000 1.036 183 L CA -0.436 54.330 54.840 -0.124 0.000 0.806 183 L CB 1.749 43.752 42.059 -0.092 0.000 1.220 183 L HN 0.742 nan 8.230 nan 0.000 0.429 184 G N 1.678 110.394 108.800 -0.139 0.000 2.325 184 G HA2 0.564 4.524 3.960 -0.000 0.000 0.298 184 G HA3 0.564 4.524 3.960 -0.000 0.000 0.298 184 G C -0.477 174.359 174.900 -0.106 0.000 1.134 184 G CA -0.281 44.738 45.100 -0.135 0.000 0.876 184 G HN 0.709 nan 8.290 nan 0.000 0.452 185 A N 4.809 127.558 122.820 -0.118 0.000 2.664 185 A HA 0.668 4.988 4.320 -0.000 0.000 0.338 185 A C -1.606 175.919 177.584 -0.097 0.000 1.280 185 A CA -1.355 50.601 52.037 -0.136 0.000 0.809 185 A CB 1.544 20.430 19.000 -0.190 0.000 1.114 185 A HN 0.406 nan 8.150 nan 0.000 0.479 186 P HA -0.096 nan 4.420 nan 0.000 0.219 186 P C 1.429 178.807 177.300 0.130 0.000 1.146 186 P CA 1.814 64.881 63.100 -0.055 0.000 0.808 186 P CB 0.334 31.764 31.700 -0.451 0.000 0.779 187 G N -0.861 107.950 108.800 0.018 0.000 3.042 187 G HA2 0.181 4.141 3.960 -0.000 0.000 0.212 187 G HA3 0.181 4.141 3.960 -0.000 0.000 0.212 187 G C 0.779 175.582 174.900 -0.162 0.000 1.166 187 G CA 0.022 45.137 45.100 0.026 0.000 0.767 187 G HN 0.370 nan 8.290 nan 0.000 0.546 188 G N -0.717 108.006 108.800 -0.129 0.000 2.491 188 G HA2 0.301 4.261 3.960 -0.000 0.000 0.238 188 G HA3 0.301 4.261 3.960 -0.000 0.000 0.238 188 G C 0.027 174.837 174.900 -0.150 0.000 1.277 188 G CA -0.391 44.533 45.100 -0.293 0.000 0.851 188 G HN 0.387 nan 8.290 nan 0.000 0.573 189 Y N -0.794 119.500 120.300 -0.009 0.000 3.078 189 Y HA -0.232 4.318 4.550 -0.000 0.000 0.202 189 Y C 0.745 176.713 175.900 0.113 0.000 1.322 189 Y CA 0.788 58.920 58.100 0.053 0.000 1.118 189 Y CB -2.814 35.671 38.460 0.042 0.000 1.343 189 Y HN 0.866 nan 8.280 nan 0.000 0.499 190 Y N -1.165 119.151 120.300 0.027 0.000 3.234 190 Y HA -0.232 4.318 4.550 -0.000 0.000 0.207 190 Y C 0.698 176.561 175.900 -0.062 0.000 1.316 190 Y CA 1.057 59.084 58.100 -0.122 0.000 1.309 190 Y CB -1.779 36.657 38.460 -0.040 0.000 1.408 190 Y HN 0.470 nan 8.280 nan 0.000 0.544 191 F N -4.079 115.980 119.950 0.183 0.000 2.746 191 F HA -0.382 4.145 4.527 -0.000 0.000 0.315 191 F C 1.108 177.026 175.800 0.197 0.000 0.666 191 F CA 0.584 58.700 58.000 0.193 0.000 1.381 191 F CB -2.018 37.070 39.000 0.146 0.000 1.739 191 F HN 0.188 nan 8.300 nan 0.000 0.322 192 L N 0.084 121.502 121.223 0.325 0.000 2.044 192 L HA 0.415 4.755 4.340 -0.000 0.000 0.205 192 L C 1.623 178.724 176.870 0.385 0.000 1.075 192 L CA 1.974 57.015 54.840 0.334 0.000 0.747 192 L CB -0.880 41.369 42.059 0.318 0.000 0.903 192 L HN 0.573 nan 8.230 nan 0.000 0.435 193 G N -0.695 108.306 108.800 0.334 0.000 2.742 193 G HA2 0.274 4.234 3.960 -0.000 0.000 0.686 193 G HA3 0.274 4.234 3.960 -0.000 0.000 0.686 193 G C -1.407 173.724 174.900 0.386 0.000 1.220 193 G CA -0.451 44.866 45.100 0.362 0.000 0.783 193 G HN 0.429 nan 8.290 nan 0.000 0.646 194 L N -0.655 120.720 121.223 0.253 0.000 2.479 194 L HA 1.018 5.358 4.340 -0.000 0.000 0.255 194 L C -1.089 175.847 176.870 0.111 0.000 1.026 194 L CA -1.510 53.459 54.840 0.216 0.000 0.842 194 L CB 1.606 43.551 42.059 -0.190 0.000 1.444 194 L HN 0.720 nan 8.230 nan 0.000 0.409 195 L N 1.574 122.817 121.223 0.033 0.000 2.346 195 L HA 0.953 5.293 4.340 -0.000 0.000 0.274 195 L C -0.175 176.579 176.870 -0.193 0.000 1.007 195 L CA -0.263 54.494 54.840 -0.138 0.000 0.818 195 L CB 1.784 43.760 42.059 -0.139 0.000 1.284 195 L HN 1.019 nan 8.230 nan 0.000 0.424 196 A N 3.188 125.935 122.820 -0.121 0.000 2.343 196 A HA 0.745 5.065 4.320 -0.000 0.000 0.316 196 A C -1.075 176.528 177.584 0.031 0.000 1.104 196 A CA -0.487 51.525 52.037 -0.041 0.000 0.768 196 A CB 1.453 20.406 19.000 -0.078 0.000 1.213 196 A HN 0.562 nan 8.150 nan 0.000 0.456 197 Q N 1.325 121.177 119.800 0.087 0.000 2.353 197 Q HA 0.726 5.066 4.340 -0.000 0.000 0.268 197 Q C -1.400 174.584 176.000 -0.026 0.000 1.045 197 Q CA -0.496 55.312 55.803 0.009 0.000 0.811 197 Q CB 2.079 30.835 28.738 0.031 0.000 1.305 197 Q HN 1.263 nan 8.270 nan 0.000 0.447 198 A N 4.555 127.270 122.820 -0.174 0.000 2.574 198 A HA 0.698 5.018 4.320 -0.000 0.000 0.297 198 A C -2.808 174.612 177.584 -0.275 0.000 1.062 198 A CA -1.308 50.577 52.037 -0.254 0.000 0.686 198 A CB 1.792 20.488 19.000 -0.507 0.000 1.285 198 A HN 0.535 nan 8.150 nan 0.000 0.403 199 P HA 0.224 nan 4.420 nan 0.000 0.271 199 P C 1.071 178.263 177.300 -0.179 0.000 1.216 199 P CA -0.126 62.862 63.100 -0.185 0.000 0.771 199 P CB 0.929 32.566 31.700 -0.106 0.000 0.864 200 V N 3.546 123.344 119.914 -0.193 0.000 2.332 200 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 200 V C 2.351 178.545 176.094 0.168 0.000 1.055 200 V CA 2.726 65.000 62.300 -0.044 0.000 1.038 200 V CB -1.534 30.278 31.823 -0.019 0.000 0.651 200 V HN 0.660 nan 8.190 nan 0.000 0.450 201 A N 0.171 123.066 122.820 0.125 0.000 1.892 201 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 201 A C 1.964 179.642 177.584 0.157 0.000 1.188 201 A CA 2.373 54.509 52.037 0.166 0.000 0.631 201 A CB -0.678 18.383 19.000 0.101 0.000 0.822 201 A HN 0.570 nan 8.150 nan 0.000 0.447 202 D N -0.348 120.094 120.400 0.069 0.000 2.183 202 D HA -0.026 4.614 4.640 -0.000 0.000 0.203 202 D C 1.819 178.160 176.300 0.068 0.000 0.969 202 D CA 0.765 54.800 54.000 0.059 0.000 0.842 202 D CB -0.347 40.462 40.800 0.014 0.000 0.957 202 D HN 0.532 nan 8.370 nan 0.000 0.484 203 I N 0.028 120.594 120.570 -0.007 0.000 2.208 203 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 203 I C 2.008 178.142 176.117 0.027 0.000 1.097 203 I CA 0.907 62.179 61.300 -0.046 0.000 1.363 203 I CB -0.175 37.661 38.000 -0.274 0.000 1.051 203 I HN -0.104 nan 8.210 nan 0.000 0.413 204 F N 1.082 121.064 119.950 0.052 0.000 2.146 204 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 204 F C 2.970 178.824 175.800 0.090 0.000 1.096 204 F CA 1.847 59.893 58.000 0.077 0.000 1.275 204 F CB -0.601 38.438 39.000 0.064 0.000 1.008 204 F HN 0.116 nan 8.300 nan 0.000 0.480 205 S N -1.168 114.686 115.700 0.257 0.000 2.428 205 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 205 S C 1.903 176.566 174.600 0.106 0.000 1.014 205 S CA 0.957 59.252 58.200 0.158 0.000 0.957 205 S CB -0.827 62.443 63.200 0.117 0.000 0.784 205 S HN 0.358 nan 8.310 nan 0.000 0.499 206 S N -0.633 115.138 115.700 0.119 0.000 2.524 206 S HA 0.195 4.665 4.470 -0.000 0.000 0.216 206 S C 0.336 174.889 174.600 -0.078 0.000 0.987 206 S CA -0.723 57.529 58.200 0.085 0.000 0.909 206 S CB -0.792 62.530 63.200 0.204 0.000 0.781 206 S HN 0.604 nan 8.310 nan 0.000 0.521 207 Y N 3.095 123.274 120.300 -0.201 0.000 2.442 207 Y HA 0.456 5.006 4.550 -0.000 0.000 0.330 207 Y C 0.171 175.841 175.900 -0.383 0.000 1.129 207 Y CA -0.480 57.331 58.100 -0.481 0.000 1.365 207 Y CB 0.454 38.724 38.460 -0.317 0.000 1.233 207 Y HN 0.088 nan 8.280 nan 0.000 0.529 208 R N 6.951 126.657 120.500 -1.324 0.000 2.502 208 R HA 0.317 4.657 4.340 -0.000 0.000 0.300 208 R C -2.845 172.763 176.300 -1.154 0.000 0.984 208 R CA -2.141 53.393 56.100 -0.944 0.000 0.882 208 R CB 1.441 31.428 30.300 -0.521 0.000 1.180 208 R HN 0.509 nan 8.270 nan 0.000 0.444 209 P HA -0.005 nan 4.420 nan 0.000 0.261 209 P C 0.597 177.731 177.300 -0.277 0.000 1.183 209 P CA 1.007 63.855 63.100 -0.421 0.000 0.761 209 P CB 0.598 32.210 31.700 -0.147 0.000 0.785 210 G N 2.953 111.643 108.800 -0.185 0.000 2.144 210 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 210 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 210 G C 0.669 175.525 174.900 -0.073 0.000 0.988 210 G CA -0.247 44.802 45.100 -0.084 0.000 0.659 210 G HN 0.424 nan 8.290 nan 0.000 0.522 211 I N -0.246 120.243 120.570 -0.135 0.000 2.556 211 I HA 0.243 4.413 4.170 -0.000 0.000 0.251 211 I C 2.603 178.809 176.117 0.148 0.000 1.105 211 I CA 1.799 63.073 61.300 -0.044 0.000 1.436 211 I CB -0.796 37.106 38.000 -0.163 0.000 1.139 211 I HN 0.414 nan 8.210 nan 0.000 0.438 212 L N -1.454 119.920 121.223 0.253 0.000 3.015 212 L HA -0.265 4.075 4.340 -0.000 0.000 0.389 212 L C 0.221 177.368 176.870 0.463 0.000 0.737 212 L CA 0.795 55.897 54.840 0.437 0.000 3.213 212 L CB -1.196 41.093 42.059 0.382 0.000 0.600 212 L HN 0.227 nan 8.230 nan 0.000 0.774 213 L N 0.691 122.160 121.223 0.410 0.000 2.342 213 L HA 0.598 4.938 4.340 -0.000 0.000 0.276 213 L C -0.676 176.383 176.870 0.316 0.000 0.997 213 L CA -0.023 54.926 54.840 0.183 0.000 0.838 213 L CB 1.269 43.446 42.059 0.196 0.000 1.224 213 L HN 0.229 nan 8.230 nan 0.000 0.416 214 W N 2.973 124.181 121.300 -0.154 0.000 3.025 214 W HA 0.662 5.322 4.660 -0.000 0.000 0.343 214 W C -1.839 174.540 176.519 -0.234 0.000 1.246 214 W CA -0.824 56.484 57.345 -0.061 0.000 1.178 214 W CB 0.903 30.350 29.460 -0.020 0.000 1.463 214 W HN 0.511 nan 8.180 nan 0.000 0.578 215 H N 0.804 119.909 119.070 0.057 0.000 2.727 215 H HA 0.475 5.031 4.556 -0.000 0.000 0.330 215 H C -0.647 174.743 175.328 0.102 0.000 0.986 215 H CA -0.817 55.203 56.048 -0.047 0.000 1.251 215 H CB 1.970 31.714 29.762 -0.029 0.000 1.493 215 H HN 0.402 nan 8.280 nan 0.000 0.515 216 V N 3.484 123.498 119.914 0.167 0.000 2.421 216 V HA -0.046 4.074 4.120 -0.000 0.000 0.271 216 V C 1.409 177.588 176.094 0.140 0.000 1.031 216 V CA 0.645 63.062 62.300 0.194 0.000 1.032 216 V CB 0.715 32.638 31.823 0.166 0.000 1.009 216 V HN 1.062 nan 8.190 nan 0.000 0.477 217 S N 3.699 119.474 115.700 0.126 0.000 2.402 217 S HA -0.188 4.282 4.470 -0.000 0.000 0.233 217 S C 1.727 176.370 174.600 0.071 0.000 1.030 217 S CA 1.512 59.766 58.200 0.091 0.000 1.003 217 S CB -0.380 62.865 63.200 0.075 0.000 0.813 217 S HN 0.922 nan 8.310 nan 0.000 0.477 218 S N 1.225 116.961 115.700 0.059 0.000 2.593 218 S HA 0.105 4.575 4.470 -0.000 0.000 0.217 218 S C 0.768 175.389 174.600 0.035 0.000 0.966 218 S CA -0.416 57.807 58.200 0.038 0.000 0.914 218 S CB -0.641 62.569 63.200 0.016 0.000 0.776 218 S HN 0.867 nan 8.310 nan 0.000 0.523 219 Q N 1.273 121.107 119.800 0.056 0.000 2.394 219 Q HA 0.478 4.818 4.340 -0.000 0.000 0.248 219 Q C -0.641 175.414 176.000 0.091 0.000 0.992 219 Q CA -0.254 55.590 55.803 0.069 0.000 0.888 219 Q CB 0.638 29.454 28.738 0.130 0.000 1.257 219 Q HN 0.115 nan 8.270 nan 0.000 0.462 220 S N 2.681 118.448 115.700 0.111 0.000 2.733 220 S HA 0.503 4.973 4.470 -0.000 0.000 0.294 220 S C -1.482 173.247 174.600 0.214 0.000 1.149 220 S CA -0.728 57.574 58.200 0.171 0.000 1.034 220 S CB 0.661 63.953 63.200 0.153 0.000 1.015 220 S HN 0.534 nan 8.310 nan 0.000 0.486 221 L N 3.979 125.262 121.223 0.100 0.000 2.331 221 L HA 0.612 4.952 4.340 -0.000 0.000 0.275 221 L C 0.844 177.414 176.870 -0.500 0.000 1.022 221 L CA -0.108 54.661 54.840 -0.119 0.000 0.812 221 L CB 1.891 43.905 42.059 -0.076 0.000 1.257 221 L HN 0.803 nan 8.230 nan 0.000 0.435 222 S N 1.234 116.357 115.700 -0.963 0.000 2.626 222 S HA 0.595 5.065 4.470 -0.000 0.000 0.257 222 S C -0.256 173.933 174.600 -0.684 0.000 1.288 222 S CA -0.376 57.017 58.200 -1.345 0.000 0.980 222 S CB 0.340 62.918 63.200 -1.036 0.000 0.975 222 S HN 0.220 nan 8.310 nan 0.000 0.577 223 F N -0.446 119.478 119.950 -0.044 0.000 2.575 223 F HA 0.488 5.015 4.527 -0.000 0.000 0.330 223 F C 0.773 176.320 175.800 -0.421 0.000 1.056 223 F CA -1.211 56.716 58.000 -0.121 0.000 0.964 223 F CB 0.792 39.730 39.000 -0.104 0.000 1.258 223 F HN 0.496 nan 8.300 nan 0.000 0.484 224 D N 0.256 120.288 120.400 -0.613 0.000 2.377 224 D HA 0.356 4.996 4.640 -0.000 0.000 0.245 224 D C -0.786 175.320 176.300 -0.323 0.000 1.196 224 D CA 0.340 53.902 54.000 -0.730 0.000 0.962 224 D CB 1.528 41.835 40.800 -0.822 0.000 1.127 224 D HN 0.460 nan 8.370 nan 0.000 0.471 225 S N -1.004 114.559 115.700 -0.229 0.000 2.541 225 S HA 0.339 4.809 4.470 -0.000 0.000 0.271 225 S C 0.013 174.629 174.600 0.025 0.000 1.133 225 S CA -0.328 57.776 58.200 -0.160 0.000 0.876 225 S CB 1.016 64.020 63.200 -0.326 0.000 1.105 225 S HN 0.342 nan 8.310 nan 0.000 0.470 226 S N 2.500 118.215 115.700 0.026 0.000 2.557 226 S HA 0.207 4.677 4.470 -0.000 0.000 0.223 226 S C 0.241 174.870 174.600 0.048 0.000 0.969 226 S CA -0.335 57.950 58.200 0.143 0.000 0.927 226 S CB -0.456 62.775 63.200 0.052 0.000 0.806 226 S HN 0.619 nan 8.310 nan 0.000 0.489 227 N N 3.245 121.908 118.700 -0.063 0.000 2.401 227 N HA 0.305 5.045 4.740 -0.000 0.000 0.255 227 N C -2.064 173.050 175.510 -0.660 0.000 1.110 227 N CA -2.179 50.758 53.050 -0.188 0.000 0.949 227 N CB 1.245 39.752 38.487 0.033 0.000 1.110 227 N HN -0.026 nan 8.380 nan 0.000 0.490 228 P HA -0.120 nan 4.420 nan 0.000 0.221 228 P C 0.549 177.078 177.300 -1.284 0.000 1.145 228 P CA 1.136 63.263 63.100 -1.621 0.000 0.795 228 P CB 0.296 31.612 31.700 -0.639 0.000 0.775 229 E N -1.586 118.092 120.200 -0.869 0.000 2.171 229 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 229 E C 1.337 177.174 176.600 -1.271 0.000 0.997 229 E CA 1.177 56.895 56.400 -1.136 0.000 0.810 229 E CB -0.503 28.675 29.700 -0.870 0.000 0.738 229 E HN 0.435 nan 8.360 nan 0.000 0.467 230 Y N -0.557 119.370 120.300 -0.622 0.000 2.517 230 Y HA 0.071 4.621 4.550 -0.000 0.000 0.281 230 Y C 0.584 176.450 175.900 -0.056 0.000 1.125 230 Y CA -0.075 57.915 58.100 -0.184 0.000 1.283 230 Y CB 0.156 38.642 38.460 0.043 0.000 1.042 230 Y HN -0.102 nan 8.280 nan 0.000 0.547 231 F N 2.233 122.035 119.950 -0.246 0.000 2.578 231 F HA -0.077 4.450 4.527 -0.000 0.000 0.376 231 F C 0.633 176.263 175.800 -0.283 0.000 1.085 231 F CA -0.140 57.736 58.000 -0.206 0.000 1.260 231 F CB 0.327 39.173 39.000 -0.256 0.000 1.095 231 F HN 0.272 nan 8.300 nan 0.000 0.573 232 D N 2.050 122.458 120.400 0.015 0.000 2.911 232 D HA -0.175 4.465 4.640 -0.000 0.000 0.227 232 D C 1.249 177.212 176.300 -0.561 0.000 1.164 232 D CA 0.853 54.692 54.000 -0.269 0.000 0.782 232 D CB -1.334 39.304 40.800 -0.270 0.000 1.094 232 D HN 0.868 nan 8.370 nan 0.000 0.425 233 G N -0.524 108.143 108.800 -0.221 0.000 2.712 233 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 233 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 233 G C 0.460 175.398 174.900 0.063 0.000 1.142 233 G CA -0.020 45.032 45.100 -0.081 0.000 0.789 233 G HN 0.335 nan 8.290 nan 0.000 0.535 234 Y N -2.421 118.028 120.300 0.249 0.000 3.168 234 Y HA -0.166 4.384 4.550 -0.000 0.000 0.207 234 Y C 0.517 176.572 175.900 0.257 0.000 1.280 234 Y CA -0.611 57.624 58.100 0.225 0.000 1.235 234 Y CB -2.539 36.049 38.460 0.214 0.000 1.370 234 Y HN 0.453 nan 8.280 nan 0.000 0.537 235 W N 1.813 123.260 121.300 0.245 0.000 2.591 235 W HA 0.406 5.066 4.660 -0.000 0.000 0.330 235 W C 1.147 177.732 176.519 0.111 0.000 1.435 235 W CA 1.738 59.193 57.345 0.183 0.000 1.350 235 W CB 0.165 29.766 29.460 0.235 0.000 1.434 235 W HN 0.660 nan 8.180 nan 0.000 0.553 236 G N 3.973 112.660 108.800 -0.188 0.000 2.192 236 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.193 236 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.193 236 G C 0.542 175.411 174.900 -0.052 0.000 0.999 236 G CA 0.031 45.001 45.100 -0.216 0.000 0.659 236 G HN 0.611 nan 8.290 nan 0.000 0.503 237 Y N 2.263 122.509 120.300 -0.090 0.000 2.193 237 Y HA 0.110 4.660 4.550 -0.000 0.000 0.285 237 Y C 1.761 177.729 175.900 0.113 0.000 1.166 237 Y CA 2.520 60.629 58.100 0.015 0.000 1.181 237 Y CB 0.179 38.686 38.460 0.077 0.000 0.976 237 Y HN 0.707 nan 8.280 nan 0.000 0.520 238 S N -1.331 114.461 115.700 0.154 0.000 2.595 238 S HA 0.672 5.142 4.470 -0.000 0.000 0.281 238 S C -1.340 173.202 174.600 -0.095 0.000 1.117 238 S CA -0.604 57.609 58.200 0.022 0.000 0.873 238 S CB 2.020 65.225 63.200 0.009 0.000 1.108 238 S HN 0.040 nan 8.310 nan 0.000 0.477 239 V N 0.117 119.967 119.914 -0.107 0.000 3.048 239 V HA 0.924 5.044 4.120 -0.000 0.000 0.303 239 V C -1.043 174.991 176.094 -0.100 0.000 1.214 239 V CA 0.232 62.444 62.300 -0.145 0.000 0.984 239 V CB 1.719 33.431 31.823 -0.186 0.000 1.054 239 V HN 1.874 nan 8.190 nan 0.000 0.430 240 A N 3.977 126.750 122.820 -0.079 0.000 2.610 240 A HA 0.931 5.251 4.320 -0.000 0.000 0.291 240 A C -1.187 176.419 177.584 0.036 0.000 1.086 240 A CA 0.024 52.045 52.037 -0.027 0.000 0.677 240 A CB 1.842 20.831 19.000 -0.018 0.000 1.278 240 A HN 2.065 nan 8.150 nan 0.000 0.414 241 V N -1.594 118.358 119.914 0.062 0.000 2.960 241 V HA 1.072 5.192 4.120 -0.000 0.000 0.315 241 V C 0.149 176.291 176.094 0.079 0.000 1.087 241 V CA 0.210 62.590 62.300 0.133 0.000 0.982 241 V CB 1.296 33.204 31.823 0.141 0.000 1.039 241 V HN 2.378 nan 8.190 nan 0.000 0.437 242 G N 1.385 110.266 108.800 0.135 0.000 2.489 242 G HA2 0.556 4.516 3.960 -0.000 0.000 0.305 242 G HA3 0.556 4.516 3.960 -0.000 0.000 0.305 242 G C -1.860 173.064 174.900 0.039 0.000 1.311 242 G CA -0.401 44.668 45.100 -0.052 0.000 0.813 242 G HN 1.034 nan 8.290 nan 0.000 0.480 243 E N -0.322 119.819 120.200 -0.099 0.000 2.141 243 E HA 0.675 5.025 4.350 -0.000 0.000 0.259 243 E C -1.235 175.159 176.600 -0.343 0.000 0.883 243 E CA -0.804 55.557 56.400 -0.064 0.000 0.744 243 E CB 0.653 30.369 29.700 0.025 0.000 1.150 243 E HN 0.260 nan 8.360 nan 0.000 0.420 244 F N 2.582 122.595 119.950 0.106 0.000 2.817 244 F HA 0.222 4.749 4.527 -0.000 0.000 0.319 244 F C 0.328 176.195 175.800 0.112 0.000 1.136 244 F CA -0.341 57.732 58.000 0.120 0.000 1.177 244 F CB 1.023 40.098 39.000 0.125 0.000 1.088 244 F HN 0.395 nan 8.300 nan 0.000 0.520 245 D N -1.416 119.093 120.400 0.182 0.000 2.636 245 D HA 0.182 4.822 4.640 -0.000 0.000 0.270 245 D C 1.290 177.638 176.300 0.079 0.000 1.430 245 D CA 0.152 54.231 54.000 0.131 0.000 0.796 245 D CB -0.038 40.815 40.800 0.088 0.000 1.117 245 D HN 0.155 nan 8.370 nan 0.000 0.480 246 G N 1.123 109.959 108.800 0.060 0.000 2.283 246 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.280 246 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.280 246 G C -0.439 174.473 174.900 0.021 0.000 1.029 246 G CA 0.540 45.660 45.100 0.033 0.000 0.840 246 G HN 0.599 nan 8.290 nan 0.000 0.505 247 D N -0.643 119.768 120.400 0.019 0.000 2.402 247 D HA 0.368 5.008 4.640 -0.000 0.000 0.252 247 D C 1.438 177.743 176.300 0.007 0.000 1.294 247 D CA -0.741 53.267 54.000 0.013 0.000 0.948 247 D CB 0.530 41.340 40.800 0.016 0.000 1.202 247 D HN 0.024 nan 8.370 nan 0.000 0.561 248 L N 2.891 124.115 121.223 0.001 0.000 2.465 248 L HA -0.000 4.340 4.340 -0.000 0.000 0.224 248 L C 1.792 178.665 176.870 0.004 0.000 1.145 248 L CA 0.366 55.206 54.840 0.000 0.000 0.834 248 L CB -0.219 41.837 42.059 -0.005 0.000 0.944 248 L HN 0.278 nan 8.230 nan 0.000 0.451 249 N N -0.300 118.402 118.700 0.005 0.000 2.457 249 N HA -0.068 4.672 4.740 -0.000 0.000 0.180 249 N C 0.600 176.110 175.510 -0.000 0.000 1.050 249 N CA 0.751 53.804 53.050 0.006 0.000 0.906 249 N CB 0.224 38.716 38.487 0.009 0.000 0.968 249 N HN 0.334 nan 8.380 nan 0.000 0.445 250 T N -3.154 111.398 114.554 -0.005 0.000 2.918 250 T HA 0.586 4.936 4.350 -0.000 0.000 0.286 250 T C -0.185 174.490 174.700 -0.041 0.000 1.026 250 T CA -0.820 61.264 62.100 -0.026 0.000 1.031 250 T CB 1.855 70.715 68.868 -0.014 0.000 1.046 250 T HN -0.143 nan 8.240 nan 0.000 0.479 251 T N 2.188 116.683 114.554 -0.098 0.000 2.888 251 T HA 0.636 4.986 4.350 -0.000 0.000 0.284 251 T C -0.698 173.864 174.700 -0.230 0.000 1.017 251 T CA -0.712 61.323 62.100 -0.107 0.000 1.022 251 T CB 1.542 70.360 68.868 -0.084 0.000 1.013 251 T HN 0.678 nan 8.240 nan 0.000 0.465 252 E N 0.770 120.903 120.200 -0.111 0.000 2.227 252 E HA 0.534 4.884 4.350 -0.000 0.000 0.268 252 E C -1.306 175.288 176.600 -0.009 0.000 0.907 252 E CA -0.641 55.689 56.400 -0.117 0.000 0.786 252 E CB 0.998 30.785 29.700 0.144 0.000 1.191 252 E HN 0.457 nan 8.360 nan 0.000 0.411 253 Y N 0.311 120.627 120.300 0.026 0.000 2.342 253 Y HA 0.504 5.054 4.550 -0.000 0.000 0.334 253 Y C -0.140 175.728 175.900 -0.053 0.000 1.067 253 Y CA -1.288 56.808 58.100 -0.008 0.000 1.128 253 Y CB 1.108 39.569 38.460 0.001 0.000 1.200 253 Y HN 0.163 nan 8.280 nan 0.000 0.464 254 V N 4.363 124.320 119.914 0.072 0.000 2.384 254 V HA 0.524 4.644 4.120 -0.000 0.000 0.287 254 V C -0.544 175.463 176.094 -0.144 0.000 1.020 254 V CA -0.817 61.433 62.300 -0.083 0.000 0.850 254 V CB 1.484 33.234 31.823 -0.121 0.000 0.987 254 V HN 0.533 nan 8.190 nan 0.000 0.436 255 V N 3.628 123.409 119.914 -0.223 0.000 2.540 255 V HA 0.707 4.827 4.120 -0.000 0.000 0.302 255 V C 0.629 176.515 176.094 -0.348 0.000 1.035 255 V CA -0.490 61.565 62.300 -0.408 0.000 0.873 255 V CB 2.061 33.368 31.823 -0.860 0.000 0.992 255 V HN 0.919 nan 8.190 nan 0.000 0.428 256 G N 2.876 111.510 108.800 -0.277 0.000 2.325 256 G HA2 0.586 4.546 3.960 -0.000 0.000 0.298 256 G HA3 0.586 4.546 3.960 -0.000 0.000 0.298 256 G C -0.131 174.704 174.900 -0.108 0.000 1.134 256 G CA -0.066 44.933 45.100 -0.169 0.000 0.876 256 G HN 1.126 nan 8.290 nan 0.000 0.452 257 A N 5.052 127.856 122.820 -0.026 0.000 2.802 257 A HA 0.655 4.975 4.320 -0.000 0.000 0.344 257 A C -1.460 176.167 177.584 0.072 0.000 1.215 257 A CA -1.309 50.805 52.037 0.128 0.000 0.821 257 A CB 1.450 20.648 19.000 0.330 0.000 1.099 257 A HN 0.463 nan 8.150 nan 0.000 0.479 258 P HA -0.044 nan 4.420 nan 0.000 0.237 258 P C 0.881 177.940 177.300 -0.401 0.000 1.178 258 P CA 1.316 64.208 63.100 -0.346 0.000 0.766 258 P CB 0.079 31.272 31.700 -0.845 0.000 0.876 259 T N -6.898 107.528 114.554 -0.212 0.000 3.182 259 T HA 0.135 4.485 4.350 -0.000 0.000 0.277 259 T C -0.006 174.646 174.700 -0.080 0.000 1.013 259 T CA -0.737 61.265 62.100 -0.162 0.000 0.900 259 T CB -0.844 67.895 68.868 -0.215 0.000 1.098 259 T HN -0.058 nan 8.240 nan 0.000 0.543 260 W N 2.491 123.692 121.300 -0.166 0.000 2.209 260 W HA 0.387 5.047 4.660 -0.000 0.000 0.344 260 W C 0.746 177.150 176.519 -0.193 0.000 1.285 260 W CA 1.106 58.332 57.345 -0.198 0.000 1.267 260 W CB 0.267 29.632 29.460 -0.158 0.000 1.167 260 W HN 0.305 nan 8.180 nan 0.000 0.574 261 S N 6.391 121.411 115.700 -1.132 0.000 3.436 261 S HA -0.241 4.229 4.470 -0.000 0.000 0.393 261 S C -0.005 174.505 174.600 -0.150 0.000 0.914 261 S CA 0.817 58.466 58.200 -0.918 0.000 1.317 261 S CB -1.475 61.108 63.200 -1.028 0.000 0.920 261 S HN 0.911 nan 8.310 nan 0.000 0.564 262 W N 0.169 121.295 121.300 -0.290 0.000 6.111 262 W HA -0.334 4.326 4.660 -0.000 0.000 0.409 262 W C 1.239 177.702 176.519 -0.093 0.000 1.586 262 W CA 1.419 58.669 57.345 -0.159 0.000 1.027 262 W CB -3.067 26.306 29.460 -0.145 0.000 2.784 262 W HN 1.733 nan 8.180 nan 0.000 1.485 263 T N -4.711 109.861 114.554 0.031 0.000 5.334 263 T HA -0.371 3.979 4.350 -0.000 0.000 0.288 263 T C 0.753 175.512 174.700 0.097 0.000 1.733 263 T CA 1.315 63.450 62.100 0.058 0.000 2.925 263 T CB -1.665 67.265 68.868 0.102 0.000 1.649 263 T HN 0.327 nan 8.240 nan 0.000 1.007 264 L N 1.616 122.904 121.223 0.110 0.000 2.056 264 L HA 0.496 4.836 4.340 -0.000 0.000 0.207 264 L C 1.587 178.544 176.870 0.145 0.000 1.078 264 L CA 2.878 57.795 54.840 0.128 0.000 0.749 264 L CB -0.925 41.222 42.059 0.146 0.000 0.901 264 L HN 1.678 nan 8.230 nan 0.000 0.433 265 G N -1.397 107.521 108.800 0.197 0.000 2.705 265 G HA2 0.378 4.338 3.960 -0.000 0.000 0.686 265 G HA3 0.378 4.338 3.960 -0.000 0.000 0.686 265 G C -0.666 174.408 174.900 0.289 0.000 1.285 265 G CA -0.294 44.945 45.100 0.232 0.000 0.800 265 G HN 1.118 nan 8.290 nan 0.000 0.611 266 A N -0.076 122.905 122.820 0.268 0.000 2.605 266 A HA 0.940 5.260 4.320 -0.000 0.000 0.294 266 A C -0.786 176.828 177.584 0.049 0.000 1.062 266 A CA 0.055 52.137 52.037 0.075 0.000 0.682 266 A CB 1.946 20.635 19.000 -0.518 0.000 1.278 266 A HN 2.142 nan 8.150 nan 0.000 0.410 267 V N 1.507 121.435 119.914 0.024 0.000 2.588 267 V HA 0.508 4.628 4.120 -0.000 0.000 0.304 267 V C -0.386 175.617 176.094 -0.152 0.000 1.042 267 V CA -0.455 61.774 62.300 -0.118 0.000 0.877 267 V CB 1.682 33.383 31.823 -0.202 0.000 0.996 267 V HN 0.925 nan 8.190 nan 0.000 0.425 268 E N 4.333 124.465 120.200 -0.112 0.000 2.207 268 E HA 0.636 4.986 4.350 -0.000 0.000 0.270 268 E C -1.239 175.325 176.600 -0.061 0.000 0.927 268 E CA -0.763 55.613 56.400 -0.041 0.000 0.799 268 E CB 2.985 32.785 29.700 0.166 0.000 1.172 268 E HN 0.512 nan 8.360 nan 0.000 0.404 269 I N 3.606 124.132 120.570 -0.073 0.000 2.362 269 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 269 I C -0.675 175.419 176.117 -0.039 0.000 0.994 269 I CA -0.530 60.702 61.300 -0.114 0.000 1.158 269 I CB 0.699 38.562 38.000 -0.228 0.000 1.315 269 I HN 0.233 nan 8.210 nan 0.000 0.451 270 L N 4.864 126.107 121.223 0.033 0.000 2.323 270 L HA 0.535 4.875 4.340 -0.000 0.000 0.265 270 L C -0.369 176.469 176.870 -0.053 0.000 1.012 270 L CA -0.970 53.915 54.840 0.075 0.000 0.820 270 L CB 1.559 43.787 42.059 0.281 0.000 1.334 270 L HN 0.537 nan 8.230 nan 0.000 0.427 271 D N -0.871 119.488 120.400 -0.068 0.000 2.433 271 D HA 0.082 4.722 4.640 -0.000 0.000 0.255 271 D C 0.930 176.988 176.300 -0.404 0.000 1.226 271 D CA -0.247 53.645 54.000 -0.179 0.000 1.015 271 D CB 0.746 41.530 40.800 -0.027 0.000 1.091 271 D HN 0.515 nan 8.370 nan 0.000 0.527 272 S N -1.645 113.726 115.700 -0.548 0.000 2.603 272 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 272 S C 0.762 174.849 174.600 -0.855 0.000 0.972 272 S CA 0.159 57.857 58.200 -0.837 0.000 0.935 272 S CB -0.786 61.982 63.200 -0.720 0.000 0.769 272 S HN 0.521 nan 8.310 nan 0.000 0.536 273 Y N 0.107 120.219 120.300 -0.313 0.000 2.571 273 Y HA 0.379 4.929 4.550 -0.000 0.000 0.275 273 Y C -0.281 175.656 175.900 0.062 0.000 1.179 273 Y CA -1.349 56.667 58.100 -0.141 0.000 1.242 273 Y CB -0.766 37.710 38.460 0.026 0.000 1.126 273 Y HN 0.153 nan 8.280 nan 0.000 0.524 274 Y N -1.301 119.164 120.300 0.275 0.000 4.177 274 Y HA -0.322 4.228 4.550 -0.000 0.000 0.227 274 Y C 0.072 176.146 175.900 0.291 0.000 1.154 274 Y CA -0.291 57.985 58.100 0.294 0.000 1.887 274 Y CB -2.714 35.863 38.460 0.195 0.000 1.594 274 Y HN 0.320 nan 8.280 nan 0.000 0.668 275 Q N 1.390 121.375 119.800 0.308 0.000 2.279 275 Q HA 0.327 4.667 4.340 -0.000 0.000 0.256 275 Q C 0.502 176.584 176.000 0.136 0.000 0.937 275 Q CA -0.754 55.169 55.803 0.200 0.000 0.933 275 Q CB 0.792 29.609 28.738 0.131 0.000 1.189 275 Q HN 0.430 nan 8.270 nan 0.000 0.417 276 R N 2.788 123.360 120.500 0.120 0.000 2.389 276 R HA 0.156 4.496 4.340 -0.000 0.000 0.295 276 R C -0.054 176.232 176.300 -0.024 0.000 1.075 276 R CA -0.228 55.920 56.100 0.080 0.000 1.005 276 R CB 0.537 30.902 30.300 0.108 0.000 0.987 276 R HN 0.642 nan 8.270 nan 0.000 0.452 277 L N 1.277 122.418 121.223 -0.136 0.000 2.269 277 L HA 0.192 4.532 4.340 -0.000 0.000 0.200 277 L C 0.522 177.073 176.870 -0.532 0.000 1.069 277 L CA 0.450 55.060 54.840 -0.384 0.000 0.804 277 L CB -0.075 41.651 42.059 -0.556 0.000 0.987 277 L HN 0.664 nan 8.230 nan 0.000 0.468 278 H N -0.696 118.358 119.070 -0.026 0.000 2.928 278 H HA 0.512 5.068 4.556 -0.000 0.000 0.371 278 H C -1.178 174.093 175.328 -0.096 0.000 1.186 278 H CA -0.744 55.268 56.048 -0.060 0.000 1.134 278 H CB 2.269 31.975 29.762 -0.093 0.000 1.824 278 H HN -0.083 nan 8.280 nan 0.000 0.554 279 R N 1.813 122.318 120.500 0.009 0.000 2.513 279 R HA 0.458 4.798 4.340 -0.000 0.000 0.301 279 R C -1.404 174.804 176.300 -0.153 0.000 0.968 279 R CA -0.700 55.329 56.100 -0.119 0.000 0.872 279 R CB 1.134 31.326 30.300 -0.180 0.000 1.177 279 R HN 0.489 nan 8.270 nan 0.000 0.444 280 L N 5.251 126.354 121.223 -0.200 0.000 2.280 280 L HA 0.539 4.879 4.340 -0.000 0.000 0.287 280 L C 0.243 177.006 176.870 -0.179 0.000 1.023 280 L CA -0.733 53.985 54.840 -0.203 0.000 0.819 280 L CB 1.509 43.364 42.059 -0.340 0.000 1.212 280 L HN 0.498 nan 8.230 nan 0.000 0.420 281 R N 1.425 121.775 120.500 -0.249 0.000 2.500 281 R HA 0.471 4.811 4.340 -0.000 0.000 0.275 281 R C 0.486 176.349 176.300 -0.729 0.000 1.051 281 R CA -0.560 55.363 56.100 -0.296 0.000 1.088 281 R CB 0.938 31.174 30.300 -0.107 0.000 1.063 281 R HN 0.749 nan 8.270 nan 0.000 0.511 282 G N 0.186 108.586 108.800 -0.667 0.000 2.569 282 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.249 282 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.249 282 G C 0.164 174.816 174.900 -0.414 0.000 1.216 282 G CA -0.298 44.281 45.100 -0.867 0.000 0.845 282 G HN 0.788 nan 8.290 nan 0.000 0.568 283 E N -0.909 119.135 120.200 -0.261 0.000 2.166 283 E HA 0.046 4.396 4.350 -0.000 0.000 0.192 283 E C 0.884 177.569 176.600 0.142 0.000 0.967 283 E CA 0.351 56.762 56.400 0.018 0.000 0.840 283 E CB 0.179 29.994 29.700 0.191 0.000 0.795 283 E HN 0.547 nan 8.360 nan 0.000 0.470 284 Q N 0.325 120.248 119.800 0.205 0.000 2.309 284 Q HA 0.271 4.611 4.340 -0.000 0.000 0.273 284 Q C -1.257 174.852 176.000 0.181 0.000 1.040 284 Q CA -0.574 55.356 55.803 0.212 0.000 0.834 284 Q CB 1.535 30.452 28.738 0.299 0.000 1.345 284 Q HN 0.013 nan 8.270 nan 0.000 0.414 285 M N 2.506 122.183 119.600 0.129 0.000 2.245 285 M HA 0.243 4.723 4.480 -0.000 0.000 0.344 285 M C 0.888 177.279 176.300 0.152 0.000 1.170 285 M CA 1.457 56.834 55.300 0.127 0.000 1.135 285 M CB 0.663 33.322 32.600 0.097 0.000 1.574 285 M HN 1.032 nan 8.290 nan 0.000 0.452 286 A N 0.688 123.614 122.820 0.176 0.000 3.172 286 A HA -0.205 4.115 4.320 -0.000 0.000 0.263 286 A C 1.515 179.270 177.584 0.286 0.000 1.215 286 A CA 1.350 53.521 52.037 0.223 0.000 1.065 286 A CB -2.560 16.542 19.000 0.171 0.000 1.148 286 A HN 1.021 nan 8.150 nan 0.000 0.904 287 S N -2.535 113.343 115.700 0.297 0.000 2.489 287 S HA 0.148 4.618 4.470 -0.000 0.000 0.228 287 S C 0.746 175.606 174.600 0.433 0.000 0.995 287 S CA 1.222 59.639 58.200 0.362 0.000 0.934 287 S CB -0.377 63.099 63.200 0.461 0.000 0.771 287 S HN 1.686 nan 8.310 nan 0.000 0.522 288 Y N -0.186 120.239 120.300 0.208 0.000 3.568 288 Y HA -0.208 4.342 4.550 -0.000 0.000 0.220 288 Y C -0.004 176.016 175.900 0.201 0.000 1.319 288 Y CA -0.058 58.140 58.100 0.163 0.000 1.629 288 Y CB -2.510 36.009 38.460 0.098 0.000 1.515 288 Y HN 0.544 nan 8.280 nan 0.000 0.613 289 F N 1.396 121.418 119.950 0.119 0.000 2.546 289 F HA 0.342 4.869 4.527 -0.000 0.000 0.388 289 F C 1.263 177.058 175.800 -0.008 0.000 1.051 289 F CA 1.814 59.846 58.000 0.054 0.000 1.130 289 F CB 0.189 39.174 39.000 -0.025 0.000 1.044 289 F HN 0.410 nan 8.300 nan 0.000 0.553 290 G N 4.244 112.833 108.800 -0.353 0.000 2.168 290 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.197 290 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.197 290 G C 1.234 176.102 174.900 -0.053 0.000 0.997 290 G CA 0.163 45.112 45.100 -0.252 0.000 0.658 290 G HN 0.792 nan 8.290 nan 0.000 0.513 291 H N 0.769 119.821 119.070 -0.031 0.000 2.352 291 H HA 0.099 4.655 4.556 -0.000 0.000 0.299 291 H C 0.492 175.883 175.328 0.106 0.000 1.097 291 H CA 2.069 58.183 56.048 0.111 0.000 1.311 291 H CB 0.264 30.140 29.762 0.190 0.000 1.377 291 H HN 0.405 nan 8.280 nan 0.000 0.504 292 S N 0.454 116.212 115.700 0.096 0.000 2.538 292 S HA 0.475 4.945 4.470 -0.000 0.000 0.288 292 S C -0.787 173.778 174.600 -0.057 0.000 1.108 292 S CA -0.544 57.660 58.200 0.006 0.000 0.971 292 S CB 2.805 66.036 63.200 0.052 0.000 1.041 292 S HN 0.290 nan 8.310 nan 0.000 0.483 293 V N -0.750 119.125 119.914 -0.066 0.000 2.760 293 V HA 1.042 5.162 4.120 -0.000 0.000 0.309 293 V C -0.471 175.601 176.094 -0.036 0.000 1.077 293 V CA -0.927 61.330 62.300 -0.071 0.000 0.910 293 V CB 1.033 32.794 31.823 -0.103 0.000 1.008 293 V HN 1.126 nan 8.190 nan 0.000 0.424 294 A N 3.534 126.350 122.820 -0.005 0.000 2.435 294 A HA 0.948 5.269 4.320 -0.000 0.000 0.304 294 A C -0.999 176.621 177.584 0.060 0.000 1.064 294 A CA -0.781 51.267 52.037 0.019 0.000 0.727 294 A CB 2.250 21.264 19.000 0.022 0.000 1.284 294 A HN 1.421 nan 8.150 nan 0.000 0.415 295 V N 1.278 121.224 119.914 0.054 0.000 2.444 295 V HA 0.829 4.949 4.120 -0.000 0.000 0.294 295 V C -0.007 176.112 176.094 0.042 0.000 1.022 295 V CA -0.095 62.248 62.300 0.073 0.000 0.850 295 V CB 1.397 33.224 31.823 0.007 0.000 0.992 295 V HN 1.129 nan 8.190 nan 0.000 0.426 296 T N 2.217 116.854 114.554 0.138 0.000 2.886 296 T HA 0.276 4.626 4.350 -0.000 0.000 0.330 296 T C -1.906 172.930 174.700 0.227 0.000 1.488 296 T CA -0.562 61.658 62.100 0.200 0.000 1.054 296 T CB 1.770 70.717 68.868 0.133 0.000 1.348 296 T HN 0.753 nan 8.240 nan 0.000 0.489 297 D N 2.561 123.086 120.400 0.208 0.000 2.374 297 D HA 0.302 4.942 4.640 -0.000 0.000 0.240 297 D C 1.517 177.888 176.300 0.118 0.000 1.229 297 D CA -0.135 53.933 54.000 0.114 0.000 0.895 297 D CB 0.756 41.563 40.800 0.012 0.000 1.046 297 D HN 0.399 nan 8.370 nan 0.000 0.498 298 V N 1.844 121.833 119.914 0.126 0.000 2.992 298 V HA 0.082 4.202 4.120 -0.000 0.000 0.250 298 V C 1.235 177.424 176.094 0.159 0.000 1.090 298 V CA 0.685 63.063 62.300 0.129 0.000 1.101 298 V CB -0.498 31.382 31.823 0.095 0.000 0.743 298 V HN 0.522 nan 8.190 nan 0.000 0.468 299 N N 0.939 119.731 118.700 0.153 0.000 2.230 299 N HA 0.255 4.995 4.740 -0.000 0.000 0.202 299 N C 1.426 177.143 175.510 0.344 0.000 1.119 299 N CA 0.429 53.584 53.050 0.175 0.000 0.851 299 N CB 0.379 38.912 38.487 0.077 0.000 0.990 299 N HN 0.806 nan 8.380 nan 0.000 0.497 300 G N 1.584 110.551 108.800 0.278 0.000 2.155 300 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.257 300 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.257 300 G C 0.335 175.263 174.900 0.048 0.000 0.983 300 G CA 0.605 45.777 45.100 0.121 0.000 0.676 300 G HN 0.640 nan 8.290 nan 0.000 0.528 301 D N -0.363 120.073 120.400 0.059 0.000 2.339 301 D HA 0.351 4.991 4.640 -0.000 0.000 0.217 301 D C 1.812 178.101 176.300 -0.019 0.000 1.050 301 D CA 0.620 54.633 54.000 0.022 0.000 0.856 301 D CB -0.591 40.230 40.800 0.035 0.000 0.922 301 D HN 1.538 nan 8.370 nan 0.000 0.518 302 G N 0.407 109.181 108.800 -0.044 0.000 2.179 302 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 302 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 302 G C 0.200 175.009 174.900 -0.153 0.000 0.977 302 G CA -0.052 44.990 45.100 -0.097 0.000 0.641 302 G HN 0.458 nan 8.290 nan 0.000 0.533 303 R N 0.071 120.503 120.500 -0.113 0.000 2.393 303 R HA 0.470 4.810 4.340 -0.000 0.000 0.310 303 R C -0.090 176.136 176.300 -0.124 0.000 0.968 303 R CA -0.796 55.221 56.100 -0.138 0.000 0.867 303 R CB 0.789 31.061 30.300 -0.046 0.000 1.124 303 R HN 0.513 nan 8.270 nan 0.000 0.450 304 H N 1.154 120.107 119.070 -0.196 0.000 2.897 304 H HA -0.002 4.554 4.556 -0.000 0.000 0.347 304 H C -0.256 175.031 175.328 -0.068 0.000 1.068 304 H CA 0.493 56.408 56.048 -0.223 0.000 1.426 304 H CB 0.664 30.109 29.762 -0.529 0.000 1.410 304 H HN 0.383 nan 8.280 nan 0.000 0.597 305 D N 1.715 122.264 120.400 0.248 0.000 2.374 305 D HA 0.256 4.896 4.640 -0.000 0.000 0.239 305 D C -0.837 175.682 176.300 0.366 0.000 0.991 305 D CA -0.693 53.492 54.000 0.309 0.000 0.960 305 D CB 2.520 43.444 40.800 0.208 0.000 1.284 305 D HN 0.100 nan 8.370 nan 0.000 0.512 306 L N 0.995 122.435 121.223 0.362 0.000 2.333 306 L HA 0.462 4.802 4.340 -0.000 0.000 0.280 306 L C -1.547 175.490 176.870 0.277 0.000 1.004 306 L CA -0.459 54.557 54.840 0.294 0.000 0.820 306 L CB 1.245 43.413 42.059 0.182 0.000 1.247 306 L HN 0.269 nan 8.230 nan 0.000 0.416 307 L N 5.661 126.990 121.223 0.177 0.000 2.322 307 L HA 0.730 5.070 4.340 -0.000 0.000 0.281 307 L C -0.882 176.040 176.870 0.086 0.000 1.014 307 L CA -0.734 54.190 54.840 0.140 0.000 0.815 307 L CB 2.010 44.111 42.059 0.069 0.000 1.247 307 L HN 0.326 nan 8.230 nan 0.000 0.421 308 V N 1.650 121.632 119.914 0.113 0.000 2.604 308 V HA 0.686 4.806 4.120 -0.000 0.000 0.305 308 V C 0.312 176.401 176.094 -0.008 0.000 1.043 308 V CA -0.610 61.646 62.300 -0.074 0.000 0.888 308 V CB 1.872 33.493 31.823 -0.336 0.000 0.995 308 V HN 0.827 nan 8.190 nan 0.000 0.429 309 G N 2.314 111.074 108.800 -0.067 0.000 2.379 309 G HA2 0.650 4.610 3.960 -0.000 0.000 0.327 309 G HA3 0.650 4.610 3.960 -0.000 0.000 0.327 309 G C -0.368 174.587 174.900 0.092 0.000 1.145 309 G CA -0.256 44.866 45.100 0.036 0.000 0.905 309 G HN 1.165 nan 8.290 nan 0.000 0.466 310 A N 3.946 126.906 122.820 0.233 0.000 3.030 310 A HA 0.658 4.978 4.320 -0.000 0.000 0.335 310 A C -1.708 176.057 177.584 0.302 0.000 1.089 310 A CA -1.207 51.032 52.037 0.336 0.000 0.807 310 A CB 1.414 20.752 19.000 0.563 0.000 1.099 310 A HN 0.386 nan 8.150 nan 0.000 0.474 311 P HA -0.105 nan 4.420 nan 0.000 0.219 311 P C 0.702 178.114 177.300 0.187 0.000 1.146 311 P CA 1.041 64.209 63.100 0.113 0.000 0.808 311 P CB 0.179 31.810 31.700 -0.116 0.000 0.779 312 L N -2.905 118.451 121.223 0.220 0.000 2.872 312 L HA 0.222 4.562 4.340 -0.000 0.000 0.245 312 L C 0.511 177.531 176.870 0.250 0.000 1.211 312 L CA -0.845 54.122 54.840 0.211 0.000 1.013 312 L CB -0.563 41.599 42.059 0.172 0.000 1.326 312 L HN -0.059 nan 8.230 nan 0.000 0.525 313 Y N 2.024 122.439 120.300 0.192 0.000 2.526 313 Y HA 0.161 4.711 4.550 -0.000 0.000 0.330 313 Y C 0.326 176.301 175.900 0.125 0.000 1.156 313 Y CA 0.122 58.331 58.100 0.182 0.000 1.419 313 Y CB 0.460 39.050 38.460 0.216 0.000 1.250 313 Y HN 0.053 nan 8.280 nan 0.000 0.540 314 M N 6.385 125.636 119.600 -0.582 0.000 2.180 314 M HA 0.220 4.700 4.480 -0.000 0.000 0.350 314 M C -0.417 175.489 176.300 -0.656 0.000 1.125 314 M CA -0.290 54.751 55.300 -0.432 0.000 1.031 314 M CB 1.328 33.783 32.600 -0.241 0.000 1.623 314 M HN 0.680 nan 8.290 nan 0.000 0.451 315 E N 1.607 121.648 120.200 -0.264 0.000 2.277 315 E HA 0.309 4.659 4.350 -0.000 0.000 0.274 315 E C -0.877 175.679 176.600 -0.073 0.000 1.022 315 E CA -0.392 55.956 56.400 -0.087 0.000 0.853 315 E CB 1.275 30.997 29.700 0.037 0.000 1.086 315 E HN 0.591 nan 8.360 nan 0.000 0.397 316 S N 2.690 118.377 115.700 -0.020 0.000 2.548 316 S HA 0.352 4.822 4.470 -0.000 0.000 0.277 316 S C -0.117 174.476 174.600 -0.012 0.000 1.315 316 S CA -0.312 57.877 58.200 -0.017 0.000 1.050 316 S CB 0.763 63.967 63.200 0.007 0.000 0.918 316 S HN 0.422 nan 8.310 nan 0.000 0.497 317 R N 0.354 120.842 120.500 -0.018 0.000 2.906 317 R HA 0.656 4.996 4.340 -0.000 0.000 0.258 317 R C -0.657 175.635 176.300 -0.013 0.000 1.156 317 R CA -1.084 55.005 56.100 -0.017 0.000 0.996 317 R CB 0.850 31.135 30.300 -0.025 0.000 1.259 317 R HN 0.639 nan 8.270 nan 0.000 0.462 318 A N 0.949 123.761 122.820 -0.012 0.000 2.520 318 A HA 0.159 4.479 4.320 -0.000 0.000 0.235 318 A C -0.414 177.164 177.584 -0.010 0.000 1.065 318 A CA 0.569 52.600 52.037 -0.010 0.000 0.764 318 A CB -0.246 18.749 19.000 -0.009 0.000 1.002 318 A HN 0.793 nan 8.150 nan 0.000 0.502 319 D N -0.064 120.331 120.400 -0.007 0.000 2.870 319 D HA -0.193 4.447 4.640 -0.000 0.000 0.228 319 D C 0.326 176.621 176.300 -0.007 0.000 1.147 319 D CA 1.531 55.527 54.000 -0.006 0.000 0.757 319 D CB -1.359 39.437 40.800 -0.006 0.000 1.091 319 D HN 0.832 nan 8.370 nan 0.000 0.429 320 R N -2.230 118.265 120.500 -0.008 0.000 3.651 320 R HA -0.240 4.100 4.340 -0.000 0.000 0.292 320 R C -0.278 176.014 176.300 -0.013 0.000 1.161 320 R CA 1.111 57.205 56.100 -0.009 0.000 0.787 320 R CB -1.531 28.766 30.300 -0.006 0.000 1.249 320 R HN 0.349 nan 8.270 nan 0.000 0.476 321 K N 1.111 121.500 120.400 -0.017 0.000 2.159 321 K HA 0.460 4.780 4.320 -0.000 0.000 0.266 321 K C 0.166 176.745 176.600 -0.035 0.000 0.975 321 K CA -0.657 55.617 56.287 -0.022 0.000 0.865 321 K CB 1.481 33.969 32.500 -0.021 0.000 1.087 321 K HN -0.024 nan 8.250 nan 0.000 0.446 322 L N 1.527 122.725 121.223 -0.043 0.000 2.360 322 L HA 0.601 4.941 4.340 -0.000 0.000 0.271 322 L C -0.163 176.662 176.870 -0.076 0.000 1.057 322 L CA -0.767 54.032 54.840 -0.068 0.000 0.803 322 L CB 1.603 43.616 42.059 -0.077 0.000 1.207 322 L HN 0.679 nan 8.230 nan 0.000 0.445 323 A N 1.663 124.424 122.820 -0.098 0.000 2.385 323 A HA 0.318 4.638 4.320 -0.000 0.000 0.290 323 A C -0.608 176.905 177.584 -0.118 0.000 1.094 323 A CA -0.536 51.428 52.037 -0.121 0.000 0.729 323 A CB 1.077 20.008 19.000 -0.115 0.000 1.194 323 A HN 0.730 nan 8.150 nan 0.000 0.442 324 E N 2.158 122.283 120.200 -0.124 0.000 2.292 324 E HA 0.252 4.602 4.350 -0.000 0.000 0.265 324 E C 0.544 177.131 176.600 -0.021 0.000 1.093 324 E CA 0.462 56.843 56.400 -0.033 0.000 0.922 324 E CB 0.472 30.222 29.700 0.083 0.000 1.001 324 E HN 0.778 nan 8.360 nan 0.000 0.444 325 V N 1.347 121.302 119.914 0.068 0.000 3.368 325 V HA 0.471 4.591 4.120 -0.000 0.000 0.255 325 V C 0.657 176.883 176.094 0.221 0.000 1.466 325 V CA 0.458 62.822 62.300 0.105 0.000 1.095 325 V CB 0.010 31.865 31.823 0.053 0.000 0.899 325 V HN 0.823 nan 8.190 nan 0.000 0.440 326 G N 0.679 109.654 108.800 0.291 0.000 2.629 326 G HA2 0.147 4.107 3.960 -0.000 0.000 0.686 326 G HA3 0.147 4.107 3.960 -0.000 0.000 0.686 326 G C -0.735 174.419 174.900 0.422 0.000 1.232 326 G CA -0.175 45.153 45.100 0.379 0.000 0.803 326 G HN 0.937 nan 8.290 nan 0.000 0.638 327 R N -0.721 120.019 120.500 0.400 0.000 2.594 327 R HA 0.657 4.997 4.340 -0.000 0.000 0.265 327 R C -1.357 175.053 176.300 0.182 0.000 1.070 327 R CA -0.784 55.445 56.100 0.215 0.000 0.909 327 R CB 2.018 32.174 30.300 -0.241 0.000 1.243 327 R HN 0.900 nan 8.270 nan 0.000 0.455 328 V N 3.788 123.768 119.914 0.110 0.000 2.628 328 V HA 0.524 4.644 4.120 -0.000 0.000 0.306 328 V C -1.249 174.767 176.094 -0.131 0.000 1.045 328 V CA -0.664 61.661 62.300 0.043 0.000 0.905 328 V CB 1.693 33.501 31.823 -0.024 0.000 0.997 328 V HN 0.612 nan 8.190 nan 0.000 0.436 329 Y N 4.050 124.343 120.300 -0.011 0.000 2.352 329 Y HA 0.668 5.218 4.550 -0.000 0.000 0.339 329 Y C -0.225 175.591 175.900 -0.140 0.000 0.992 329 Y CA -0.987 57.054 58.100 -0.099 0.000 1.100 329 Y CB 1.723 40.213 38.460 0.050 0.000 1.192 329 Y HN 0.494 nan 8.280 nan 0.000 0.458 330 L N 4.655 125.786 121.223 -0.154 0.000 2.287 330 L HA 0.615 4.955 4.340 -0.000 0.000 0.287 330 L C -1.807 174.912 176.870 -0.251 0.000 1.022 330 L CA -0.777 54.007 54.840 -0.094 0.000 0.814 330 L CB 0.009 42.019 42.059 -0.082 0.000 1.217 330 L HN 0.393 nan 8.230 nan 0.000 0.420 331 F N 5.939 125.948 119.950 0.098 0.000 2.375 331 F HA 0.476 5.003 4.527 -0.000 0.000 0.361 331 F C -0.164 175.699 175.800 0.104 0.000 1.117 331 F CA -0.556 57.499 58.000 0.092 0.000 1.037 331 F CB 1.093 40.142 39.000 0.082 0.000 1.192 331 F HN 0.254 nan 8.300 nan 0.000 0.452 332 L N 3.228 124.574 121.223 0.206 0.000 2.371 332 L HA 0.327 4.667 4.340 -0.000 0.000 0.272 332 L C 0.202 177.180 176.870 0.181 0.000 1.124 332 L CA -0.474 54.465 54.840 0.165 0.000 0.816 332 L CB 1.116 43.229 42.059 0.090 0.000 1.129 332 L HN 0.590 nan 8.230 nan 0.000 0.448 333 Q N 5.066 124.977 119.800 0.184 0.000 2.296 333 Q HA 0.330 4.670 4.340 -0.000 0.000 0.257 333 Q C -2.235 173.828 176.000 0.105 0.000 0.942 333 Q CA -1.702 54.206 55.803 0.175 0.000 0.939 333 Q CB 1.494 30.357 28.738 0.208 0.000 1.198 333 Q HN 0.317 nan 8.270 nan 0.000 0.429 334 P HA 0.224 nan 4.420 nan 0.000 0.289 334 P C -0.946 176.389 177.300 0.058 0.000 1.299 334 P CA -0.328 62.797 63.100 0.040 0.000 0.766 334 P CB 1.072 32.770 31.700 -0.004 0.000 1.226 335 R N -1.396 119.120 120.500 0.027 0.000 2.596 335 R HA 0.611 4.951 4.340 -0.000 0.000 0.267 335 R C 0.594 176.998 176.300 0.174 0.000 1.026 335 R CA 0.097 56.237 56.100 0.066 0.000 1.087 335 R CB 0.421 30.739 30.300 0.031 0.000 1.132 335 R HN 0.890 nan 8.270 nan 0.000 0.531 336 G N 1.428 110.337 108.800 0.181 0.000 2.632 336 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.224 336 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.224 336 G C -2.039 172.975 174.900 0.190 0.000 1.341 336 G CA -0.571 44.671 45.100 0.236 0.000 0.880 336 G HN 0.552 nan 8.290 nan 0.000 0.566 337 P HA 0.226 nan 4.420 nan 0.000 0.249 337 P C 0.093 177.374 177.300 -0.032 0.000 1.544 337 P CA 0.088 63.188 63.100 -0.001 0.000 0.932 337 P CB -0.341 31.322 31.700 -0.062 0.000 1.524 338 H N 0.583 119.695 119.070 0.070 0.000 2.629 338 H HA 0.488 5.044 4.556 -0.000 0.000 0.357 338 H C 0.914 176.272 175.328 0.051 0.000 1.121 338 H CA -0.077 56.005 56.048 0.058 0.000 1.406 338 H CB 0.669 30.454 29.762 0.039 0.000 1.456 338 H HN 0.120 nan 8.280 nan 0.000 0.579 339 A N 2.326 125.212 122.820 0.110 0.000 2.257 339 A HA 0.410 4.730 4.320 -0.000 0.000 0.289 339 A C -0.477 176.988 177.584 -0.197 0.000 1.095 339 A CA -0.613 51.324 52.037 -0.166 0.000 0.836 339 A CB 0.288 19.204 19.000 -0.139 0.000 1.111 339 A HN 0.489 nan 8.150 nan 0.000 0.497 340 L N 0.526 121.486 121.223 -0.438 0.000 2.417 340 L HA 0.471 4.811 4.340 -0.000 0.000 0.268 340 L C 1.223 178.064 176.870 -0.048 0.000 1.158 340 L CA 1.288 56.037 54.840 -0.152 0.000 0.819 340 L CB 0.731 42.692 42.059 -0.163 0.000 1.112 340 L HN 0.891 nan 8.230 nan 0.000 0.458 341 G N 0.534 109.382 108.800 0.081 0.000 3.134 341 G HA2 0.690 4.650 3.960 -0.000 0.000 0.158 341 G HA3 0.690 4.650 3.960 -0.000 0.000 0.158 341 G C -0.627 174.397 174.900 0.207 0.000 1.334 341 G CA -0.002 45.160 45.100 0.103 0.000 1.001 341 G HN 0.843 nan 8.290 nan 0.000 0.600 342 A N -0.061 122.852 122.820 0.155 0.000 2.296 342 A HA 0.677 4.997 4.320 -0.000 0.000 0.264 342 A C -2.232 175.387 177.584 0.059 0.000 1.097 342 A CA -0.837 51.294 52.037 0.156 0.000 0.811 342 A CB -0.296 18.749 19.000 0.074 0.000 1.072 342 A HN 0.378 nan 8.150 nan 0.000 0.495 343 P HA 0.122 nan 4.420 nan 0.000 0.265 343 P C 0.293 177.462 177.300 -0.219 0.000 1.193 343 P CA 0.267 63.086 63.100 -0.469 0.000 0.765 343 P CB 0.696 32.192 31.700 -0.340 0.000 0.823 344 S N 1.188 116.763 115.700 -0.210 0.000 2.528 344 S HA 0.152 4.622 4.470 -0.000 0.000 0.219 344 S C 0.390 174.918 174.600 -0.120 0.000 0.985 344 S CA 0.316 58.451 58.200 -0.109 0.000 0.914 344 S CB -0.279 62.886 63.200 -0.059 0.000 0.776 344 S HN 0.371 nan 8.310 nan 0.000 0.526 345 L N 0.383 121.503 121.223 -0.171 0.000 2.612 345 L HA 0.481 4.821 4.340 -0.000 0.000 0.256 345 L C -2.222 174.512 176.870 -0.227 0.000 0.949 345 L CA -0.447 54.294 54.840 -0.166 0.000 0.867 345 L CB 1.395 43.368 42.059 -0.142 0.000 1.417 345 L HN 0.001 nan 8.230 nan 0.000 0.414 346 L N 5.351 126.434 121.223 -0.234 0.000 2.401 346 L HA 0.490 4.830 4.340 -0.000 0.000 0.263 346 L C -0.946 175.761 176.870 -0.270 0.000 1.004 346 L CA -0.446 54.197 54.840 -0.329 0.000 0.881 346 L CB 1.378 43.226 42.059 -0.352 0.000 1.219 346 L HN 0.460 nan 8.230 nan 0.000 0.441 347 L N 2.938 124.011 121.223 -0.251 0.000 2.319 347 L HA 0.444 4.784 4.340 -0.000 0.000 0.280 347 L C 0.174 176.939 176.870 -0.173 0.000 1.099 347 L CA 0.146 54.864 54.840 -0.203 0.000 0.828 347 L CB 1.060 42.988 42.059 -0.218 0.000 1.150 347 L HN 0.496 nan 8.230 nan 0.000 0.442 348 T N 1.585 115.938 114.554 -0.335 0.000 2.863 348 T HA 0.472 4.822 4.350 -0.000 0.000 0.285 348 T C 0.418 174.719 174.700 -0.665 0.000 1.009 348 T CA -0.577 61.316 62.100 -0.346 0.000 0.989 348 T CB 1.847 70.620 68.868 -0.158 0.000 1.004 348 T HN 0.726 nan 8.240 nan 0.000 0.455 349 G N 0.715 109.161 108.800 -0.590 0.000 2.636 349 G HA2 0.391 4.351 3.960 -0.000 0.000 0.246 349 G HA3 0.391 4.351 3.960 -0.000 0.000 0.246 349 G C 0.984 175.764 174.900 -0.200 0.000 1.216 349 G CA 0.137 44.952 45.100 -0.476 0.000 0.854 349 G HN 0.815 nan 8.290 nan 0.000 0.572 350 T N -2.645 111.841 114.554 -0.112 0.000 3.056 350 T HA 0.161 4.511 4.350 -0.000 0.000 0.243 350 T C 0.993 175.683 174.700 -0.017 0.000 0.995 350 T CA 0.127 62.193 62.100 -0.058 0.000 1.091 350 T CB -0.056 68.783 68.868 -0.048 0.000 0.990 350 T HN 0.447 nan 8.240 nan 0.000 0.464 351 Q N 1.417 121.230 119.800 0.022 0.000 2.327 351 Q HA 0.504 4.844 4.340 -0.000 0.000 0.254 351 Q C -0.657 175.353 176.000 0.017 0.000 0.952 351 Q CA -0.744 55.081 55.803 0.037 0.000 0.884 351 Q CB 0.782 29.573 28.738 0.089 0.000 1.224 351 Q HN 0.436 nan 8.270 nan 0.000 0.422 352 L N 5.150 126.343 121.223 -0.050 0.000 2.453 352 L HA 0.084 4.424 4.340 -0.000 0.000 0.272 352 L C -0.677 176.132 176.870 -0.101 0.000 1.182 352 L CA 0.800 55.509 54.840 -0.218 0.000 0.858 352 L CB -0.239 41.590 42.059 -0.382 0.000 1.120 352 L HN 0.799 nan 8.230 nan 0.000 0.474 353 Y N 1.687 122.034 120.300 0.078 0.000 4.409 353 Y HA -0.237 4.313 4.550 -0.000 0.000 0.228 353 Y C 1.640 177.628 175.900 0.146 0.000 1.108 353 Y CA 0.871 59.019 58.100 0.078 0.000 1.955 353 Y CB -2.240 36.240 38.460 0.033 0.000 1.615 353 Y HN 0.688 nan 8.280 nan 0.000 0.665 354 G N -0.047 108.918 108.800 0.276 0.000 2.464 354 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.217 354 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.217 354 G C 0.869 175.970 174.900 0.336 0.000 1.138 354 G CA 0.379 45.664 45.100 0.308 0.000 0.793 354 G HN 0.453 nan 8.290 nan 0.000 0.539 355 R N -1.419 119.258 120.500 0.295 0.000 3.332 355 R HA -0.186 4.154 4.340 -0.000 0.000 0.263 355 R C -0.355 176.081 176.300 0.226 0.000 1.053 355 R CA 0.254 56.499 56.100 0.243 0.000 0.705 355 R CB -2.539 27.909 30.300 0.246 0.000 1.166 355 R HN 0.372 nan 8.270 nan 0.000 0.427 356 F N 1.214 121.239 119.950 0.126 0.000 2.571 356 F HA 0.249 4.776 4.527 -0.000 0.000 0.384 356 F C 1.489 177.342 175.800 0.087 0.000 1.058 356 F CA 1.812 59.877 58.000 0.107 0.000 1.200 356 F CB 0.610 39.675 39.000 0.108 0.000 1.077 356 F HN 0.435 nan 8.300 nan 0.000 0.558 357 G N 3.195 111.723 108.800 -0.453 0.000 2.163 357 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.213 357 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.213 357 G C 1.012 175.843 174.900 -0.115 0.000 0.991 357 G CA 0.325 45.251 45.100 -0.289 0.000 0.653 357 G HN 0.873 nan 8.290 nan 0.000 0.518 358 S N -0.536 115.092 115.700 -0.120 0.000 2.453 358 S HA 0.568 5.038 4.470 -0.000 0.000 0.231 358 S C 1.086 175.657 174.600 -0.048 0.000 1.005 358 S CA 1.882 60.015 58.200 -0.111 0.000 0.949 358 S CB -0.114 63.022 63.200 -0.107 0.000 0.774 358 S HN 2.008 nan 8.310 nan 0.000 0.510 359 A N 0.353 123.105 122.820 -0.114 0.000 2.540 359 A HA 0.667 4.987 4.320 -0.000 0.000 0.297 359 A C -1.366 176.147 177.584 -0.118 0.000 1.056 359 A CA -0.666 51.295 52.037 -0.125 0.000 0.700 359 A CB 0.970 19.861 19.000 -0.182 0.000 1.280 359 A HN 0.321 nan 8.150 nan 0.000 0.398 360 I N 1.766 122.285 120.570 -0.084 0.000 2.468 360 I HA 0.601 4.771 4.170 -0.000 0.000 0.285 360 I C 0.230 176.333 176.117 -0.024 0.000 1.039 360 I CA -0.535 60.730 61.300 -0.059 0.000 1.074 360 I CB 2.050 40.020 38.000 -0.050 0.000 1.228 360 I HN 0.782 nan 8.210 nan 0.000 0.436 361 A N 7.838 130.657 122.820 -0.002 0.000 2.304 361 A HA 0.797 5.117 4.320 -0.000 0.000 0.314 361 A C -2.707 174.909 177.584 0.053 0.000 1.187 361 A CA -1.718 50.335 52.037 0.027 0.000 0.810 361 A CB 0.710 19.729 19.000 0.031 0.000 1.183 361 A HN 0.338 nan 8.150 nan 0.000 0.487 362 P HA 0.137 nan 4.420 nan 0.000 0.267 362 P C 0.289 177.634 177.300 0.076 0.000 1.209 362 P CA 0.227 63.371 63.100 0.073 0.000 0.763 362 P CB 0.519 32.262 31.700 0.071 0.000 0.816 363 L N 2.126 123.393 121.223 0.074 0.000 2.607 363 L HA 0.258 4.598 4.340 -0.000 0.000 0.228 363 L C 1.440 178.336 176.870 0.043 0.000 1.123 363 L CA 0.331 55.211 54.840 0.067 0.000 0.890 363 L CB -0.664 41.437 42.059 0.071 0.000 1.103 363 L HN 0.669 nan 8.230 nan 0.000 0.468 364 G N 0.842 109.667 108.800 0.043 0.000 2.553 364 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.242 364 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.242 364 G C -0.531 174.389 174.900 0.033 0.000 1.277 364 G CA -0.171 44.943 45.100 0.023 0.000 0.910 364 G HN 0.220 nan 8.290 nan 0.000 0.576 365 D N 0.546 120.950 120.400 0.007 0.000 2.428 365 D HA 0.454 5.094 4.640 -0.000 0.000 0.221 365 D C 1.379 177.688 176.300 0.014 0.000 1.123 365 D CA -0.496 53.512 54.000 0.014 0.000 0.869 365 D CB 1.109 41.897 40.800 -0.020 0.000 1.032 365 D HN 0.354 nan 8.370 nan 0.000 0.506 366 L N 3.728 124.985 121.223 0.058 0.000 2.072 366 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 366 L C 1.307 178.260 176.870 0.139 0.000 1.079 366 L CA 1.610 56.506 54.840 0.094 0.000 0.752 366 L CB 0.013 42.127 42.059 0.091 0.000 0.906 366 L HN 0.397 nan 8.230 nan 0.000 0.436 367 D N -1.993 118.473 120.400 0.110 0.000 2.402 367 D HA 0.025 4.665 4.640 -0.000 0.000 0.216 367 D C 0.506 176.855 176.300 0.080 0.000 1.128 367 D CA -0.301 53.779 54.000 0.132 0.000 0.833 367 D CB -0.177 40.688 40.800 0.108 0.000 0.971 367 D HN 0.243 nan 8.370 nan 0.000 0.503 368 R N 0.607 121.115 120.500 0.013 0.000 3.525 368 R HA -0.152 4.188 4.340 -0.000 0.000 0.276 368 R C -0.071 176.215 176.300 -0.023 0.000 1.116 368 R CA 1.103 57.172 56.100 -0.051 0.000 0.745 368 R CB -1.872 28.351 30.300 -0.129 0.000 1.185 368 R HN 0.413 nan 8.270 nan 0.000 0.454 369 D N -0.982 119.426 120.400 0.014 0.000 2.349 369 D HA 0.107 4.747 4.640 -0.000 0.000 0.214 369 D C 1.299 177.552 176.300 -0.078 0.000 1.063 369 D CA 0.787 54.799 54.000 0.019 0.000 0.847 369 D CB 0.396 41.258 40.800 0.104 0.000 0.933 369 D HN 0.428 nan 8.370 nan 0.000 0.513 370 G N -0.494 108.226 108.800 -0.132 0.000 2.201 370 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.212 370 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.212 370 G C -0.319 174.341 174.900 -0.400 0.000 0.994 370 G CA -0.209 44.709 45.100 -0.303 0.000 0.644 370 G HN 0.364 nan 8.290 nan 0.000 0.508 371 Y N 1.408 121.711 120.300 0.005 0.000 2.341 371 Y HA 0.583 5.133 4.550 -0.000 0.000 0.338 371 Y C 0.388 176.301 175.900 0.022 0.000 0.965 371 Y CA -1.257 56.852 58.100 0.015 0.000 1.108 371 Y CB 1.213 39.687 38.460 0.023 0.000 1.180 371 Y HN -0.004 nan 8.280 nan 0.000 0.458 372 N N 3.245 122.047 118.700 0.171 0.000 2.508 372 N HA 0.115 4.855 4.740 -0.000 0.000 0.264 372 N C -0.871 174.717 175.510 0.130 0.000 1.216 372 N CA 0.051 53.171 53.050 0.117 0.000 0.943 372 N CB 0.678 39.221 38.487 0.093 0.000 1.113 372 N HN 0.613 nan 8.380 nan 0.000 0.447 373 D N 0.444 120.910 120.400 0.109 0.000 2.423 373 D HA 0.544 5.184 4.640 -0.000 0.000 0.235 373 D C 0.346 176.714 176.300 0.113 0.000 1.011 373 D CA -0.382 53.688 54.000 0.117 0.000 0.963 373 D CB 1.957 42.822 40.800 0.108 0.000 1.349 373 D HN 0.457 nan 8.370 nan 0.000 0.508 374 I N -3.222 117.431 120.570 0.139 0.000 3.042 374 I HA 0.837 5.007 4.170 -0.000 0.000 0.310 374 I C -1.369 174.841 176.117 0.156 0.000 1.117 374 I CA -1.189 60.190 61.300 0.132 0.000 1.003 374 I CB 2.321 40.394 38.000 0.122 0.000 1.228 374 I HN 0.353 nan 8.210 nan 0.000 0.443 375 A N 3.718 126.604 122.820 0.111 0.000 2.355 375 A HA 0.817 5.137 4.320 -0.000 0.000 0.317 375 A C -0.977 176.649 177.584 0.069 0.000 1.094 375 A CA -0.611 51.482 52.037 0.094 0.000 0.764 375 A CB 1.674 20.692 19.000 0.030 0.000 1.230 375 A HN 0.553 nan 8.150 nan 0.000 0.448 376 V N 1.227 121.199 119.914 0.097 0.000 2.680 376 V HA 0.746 4.866 4.120 -0.000 0.000 0.309 376 V C 0.406 176.450 176.094 -0.083 0.000 1.052 376 V CA -0.361 61.902 62.300 -0.061 0.000 0.908 376 V CB 1.729 33.442 31.823 -0.183 0.000 1.001 376 V HN 1.247 nan 8.190 nan 0.000 0.431 377 A N 3.159 125.882 122.820 -0.162 0.000 2.317 377 A HA 0.887 5.207 4.320 -0.000 0.000 0.327 377 A C 0.056 177.612 177.584 -0.046 0.000 1.178 377 A CA -0.260 51.723 52.037 -0.091 0.000 0.817 377 A CB 1.334 20.259 19.000 -0.125 0.000 1.189 377 A HN 1.433 nan 8.150 nan 0.000 0.489 378 A N 4.112 126.990 122.820 0.096 0.000 2.842 378 A HA 0.654 4.974 4.320 -0.000 0.000 0.339 378 A C -2.140 175.541 177.584 0.161 0.000 1.177 378 A CA -1.324 50.826 52.037 0.188 0.000 0.797 378 A CB 0.383 19.579 19.000 0.328 0.000 1.094 378 A HN 0.456 nan 8.150 nan 0.000 0.474 379 P HA -0.152 nan 4.420 nan 0.000 0.218 379 P C 0.034 177.129 177.300 -0.342 0.000 1.146 379 P CA 1.711 64.741 63.100 -0.116 0.000 0.813 379 P CB -0.039 31.561 31.700 -0.166 0.000 0.778 380 Y N -2.086 118.327 120.300 0.189 0.000 2.716 380 Y HA 0.453 5.003 4.550 -0.000 0.000 0.260 380 Y C 1.513 177.516 175.900 0.170 0.000 1.141 380 Y CA -0.654 57.547 58.100 0.169 0.000 1.168 380 Y CB 0.062 38.616 38.460 0.156 0.000 1.189 380 Y HN -0.167 nan 8.280 nan 0.000 0.549 381 G N -0.418 108.535 108.800 0.254 0.000 2.568 381 G HA2 0.563 4.523 3.960 -0.000 0.000 0.293 381 G HA3 0.563 4.523 3.960 -0.000 0.000 0.293 381 G C 0.197 175.198 174.900 0.168 0.000 1.347 381 G CA -0.162 45.069 45.100 0.218 0.000 1.039 381 G HN 0.519 nan 8.290 nan 0.000 0.523 382 G N -1.346 107.535 108.800 0.135 0.000 2.733 382 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.686 382 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.686 382 G C -1.533 173.416 174.900 0.080 0.000 1.373 382 G CA -0.026 45.131 45.100 0.096 0.000 0.838 382 G HN 0.543 nan 8.290 nan 0.000 0.588 383 P HA -0.122 nan 4.420 nan 0.000 0.216 383 P C 2.145 179.478 177.300 0.054 0.000 1.150 383 P CA 2.536 65.663 63.100 0.047 0.000 0.843 383 P CB -0.049 31.670 31.700 0.031 0.000 0.787 384 S N -2.090 113.642 115.700 0.053 0.000 2.461 384 S HA 0.154 4.624 4.470 -0.000 0.000 0.228 384 S C 1.783 176.434 174.600 0.086 0.000 1.005 384 S CA 0.722 58.956 58.200 0.057 0.000 0.942 384 S CB -1.379 61.844 63.200 0.038 0.000 0.776 384 S HN 0.305 nan 8.310 nan 0.000 0.514 385 G N 1.647 110.512 108.800 0.109 0.000 2.136 385 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 385 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 385 G C 0.791 175.793 174.900 0.170 0.000 0.989 385 G CA 0.353 45.552 45.100 0.164 0.000 0.682 385 G HN 0.548 nan 8.290 nan 0.000 0.522 386 R N 0.102 120.669 120.500 0.111 0.000 2.193 386 R HA 0.426 4.766 4.340 -0.000 0.000 0.213 386 R C 1.438 177.789 176.300 0.085 0.000 1.055 386 R CA 0.999 57.149 56.100 0.083 0.000 0.995 386 R CB 0.165 30.483 30.300 0.032 0.000 0.893 386 R HN 1.482 nan 8.270 nan 0.000 0.459 387 G N 0.157 109.031 108.800 0.122 0.000 2.402 387 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.666 387 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.666 387 G C -1.649 173.434 174.900 0.306 0.000 1.402 387 G CA -0.912 44.327 45.100 0.232 0.000 0.920 387 G HN 0.070 nan 8.290 nan 0.000 0.651 388 Q N -0.922 119.127 119.800 0.415 0.000 2.403 388 Q HA 0.583 4.923 4.340 -0.000 0.000 0.267 388 Q C -1.397 174.789 176.000 0.310 0.000 0.991 388 Q CA -0.843 55.171 55.803 0.352 0.000 0.906 388 Q CB 2.774 31.641 28.738 0.215 0.000 1.422 388 Q HN 0.913 nan 8.270 nan 0.000 0.400 389 V N 3.688 123.766 119.914 0.275 0.000 2.540 389 V HA 0.557 4.677 4.120 -0.000 0.000 0.302 389 V C -1.024 175.103 176.094 0.055 0.000 1.035 389 V CA -0.724 61.633 62.300 0.096 0.000 0.873 389 V CB 1.565 33.369 31.823 -0.030 0.000 0.992 389 V HN 0.599 nan 8.190 nan 0.000 0.428 390 L N 5.123 126.384 121.223 0.065 0.000 2.333 390 L HA 0.587 4.927 4.340 -0.000 0.000 0.280 390 L C -0.186 176.602 176.870 -0.137 0.000 1.004 390 L CA -0.274 54.538 54.840 -0.047 0.000 0.820 390 L CB 1.905 43.998 42.059 0.057 0.000 1.247 390 L HN 0.385 nan 8.230 nan 0.000 0.416 391 V N 3.818 123.578 119.914 -0.256 0.000 2.432 391 V HA 0.404 4.524 4.120 -0.000 0.000 0.275 391 V C -0.481 175.401 176.094 -0.354 0.000 1.043 391 V CA -0.250 61.948 62.300 -0.169 0.000 0.925 391 V CB 0.822 32.589 31.823 -0.093 0.000 0.985 391 V HN 0.396 nan 8.190 nan 0.000 0.466 392 F N 4.880 124.859 119.950 0.048 0.000 2.449 392 F HA 0.573 5.100 4.527 -0.000 0.000 0.342 392 F C 0.145 175.969 175.800 0.039 0.000 1.127 392 F CA -0.595 57.432 58.000 0.046 0.000 0.975 392 F CB 1.405 40.438 39.000 0.056 0.000 1.146 392 F HN 0.217 nan 8.300 nan 0.000 0.444 393 L N 2.757 124.084 121.223 0.175 0.000 2.375 393 L HA 0.576 4.916 4.340 -0.000 0.000 0.271 393 L C 0.900 177.831 176.870 0.102 0.000 1.107 393 L CA -0.644 54.269 54.840 0.120 0.000 0.806 393 L CB 0.738 42.846 42.059 0.082 0.000 1.146 393 L HN 0.749 nan 8.230 nan 0.000 0.447 394 G N 1.233 110.089 108.800 0.093 0.000 2.537 394 G HA2 0.560 4.520 3.960 -0.000 0.000 0.273 394 G HA3 0.560 4.520 3.960 -0.000 0.000 0.273 394 G C -0.887 173.907 174.900 -0.176 0.000 1.189 394 G CA -0.217 44.903 45.100 0.033 0.000 0.881 394 G HN 0.740 nan 8.290 nan 0.000 0.535 395 Q N -1.975 117.554 119.800 -0.452 0.000 2.804 395 Q HA 0.388 4.728 4.340 -0.000 0.000 0.302 395 Q C 0.789 176.289 176.000 -0.834 0.000 0.885 395 Q CA -0.201 55.017 55.803 -0.975 0.000 0.759 395 Q CB 0.643 29.117 28.738 -0.441 0.000 1.465 395 Q HN 0.617 nan 8.270 nan 0.000 0.432 396 S N -0.146 115.102 115.700 -0.755 0.000 2.383 396 S HA -0.238 4.232 4.470 -0.000 0.000 0.229 396 S C 1.079 175.612 174.600 -0.112 0.000 1.030 396 S CA 1.825 59.895 58.200 -0.217 0.000 1.002 396 S CB -0.429 62.752 63.200 -0.033 0.000 0.829 396 S HN 0.645 nan 8.310 nan 0.000 0.467 397 E N 1.063 121.184 120.200 -0.132 0.000 2.358 397 E HA 0.350 4.700 4.350 -0.000 0.000 0.195 397 E C 1.415 177.977 176.600 -0.064 0.000 1.010 397 E CA 0.404 56.760 56.400 -0.074 0.000 0.856 397 E CB 0.015 29.675 29.700 -0.067 0.000 0.795 397 E HN 0.708 nan 8.360 nan 0.000 0.504 398 G N 0.008 108.756 108.800 -0.088 0.000 1.800 398 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.054 398 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.054 398 G C -1.056 173.812 174.900 -0.054 0.000 0.844 398 G CA -0.765 44.304 45.100 -0.051 0.000 1.105 398 G HN 0.033 nan 8.290 nan 0.000 0.327 399 L N 0.778 121.974 121.223 -0.044 0.000 2.354 399 L HA 0.661 5.001 4.340 -0.000 0.000 0.264 399 L C 0.490 177.359 176.870 -0.002 0.000 1.008 399 L CA -0.975 53.856 54.840 -0.015 0.000 0.819 399 L CB 2.253 44.299 42.059 -0.022 0.000 1.339 399 L HN 0.392 nan 8.230 nan 0.000 0.420 400 R N 0.228 120.766 120.500 0.063 0.000 2.537 400 R HA 0.039 4.379 4.340 -0.000 0.000 0.280 400 R C 1.005 177.390 176.300 0.141 0.000 1.058 400 R CA 0.038 56.191 56.100 0.089 0.000 1.057 400 R CB 1.020 31.387 30.300 0.112 0.000 0.973 400 R HN 0.610 nan 8.270 nan 0.000 0.438 401 S N 2.509 118.257 115.700 0.080 0.000 2.423 401 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 401 S C 0.387 175.095 174.600 0.180 0.000 1.014 401 S CA 1.108 59.347 58.200 0.065 0.000 0.965 401 S CB 0.253 63.462 63.200 0.015 0.000 0.785 401 S HN 0.424 nan 8.310 nan 0.000 0.495 402 R N 1.248 121.871 120.500 0.204 0.000 2.711 402 R HA 0.449 4.789 4.340 -0.000 0.000 0.284 402 R C -2.816 173.559 176.300 0.125 0.000 0.968 402 R CA -2.332 53.883 56.100 0.191 0.000 0.924 402 R CB 1.390 31.731 30.300 0.069 0.000 1.162 402 R HN 0.166 nan 8.270 nan 0.000 0.465 403 P HA -0.008 nan 4.420 nan 0.000 0.276 403 P C 0.242 177.392 177.300 -0.249 0.000 1.230 403 P CA -0.075 62.677 63.100 -0.580 0.000 0.776 403 P CB 1.418 32.664 31.700 -0.755 0.000 0.888 404 S N 1.720 117.298 115.700 -0.203 0.000 2.453 404 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 404 S C 0.702 175.244 174.600 -0.097 0.000 1.005 404 S CA 0.457 58.600 58.200 -0.096 0.000 0.949 404 S CB -0.211 62.961 63.200 -0.046 0.000 0.774 404 S HN 0.679 nan 8.310 nan 0.000 0.510 405 Q N -0.676 119.036 119.800 -0.146 0.000 2.472 405 Q HA 0.605 4.945 4.340 -0.000 0.000 0.281 405 Q C -2.430 173.494 176.000 -0.127 0.000 0.997 405 Q CA -0.726 55.014 55.803 -0.104 0.000 0.828 405 Q CB 2.372 31.068 28.738 -0.070 0.000 1.443 405 Q HN 0.156 nan 8.270 nan 0.000 0.390 406 V N 3.769 123.638 119.914 -0.076 0.000 2.524 406 V HA 0.414 4.534 4.120 -0.000 0.000 0.297 406 V C -0.818 175.263 176.094 -0.021 0.000 1.035 406 V CA -0.588 61.683 62.300 -0.049 0.000 0.867 406 V CB 1.689 33.495 31.823 -0.028 0.000 1.004 406 V HN 0.675 nan 8.190 nan 0.000 0.426 407 L N 4.432 125.647 121.223 -0.014 0.000 2.265 407 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 407 L C -0.143 176.780 176.870 0.089 0.000 1.033 407 L CA -0.394 54.446 54.840 0.000 0.000 0.814 407 L CB 1.027 42.980 42.059 -0.176 0.000 1.203 407 L HN 0.521 nan 8.230 nan 0.000 0.423 408 D N 1.498 121.903 120.400 0.009 0.000 2.283 408 D HA 0.077 4.717 4.640 -0.000 0.000 0.248 408 D C 0.045 176.126 176.300 -0.364 0.000 1.072 408 D CA -0.041 53.911 54.000 -0.080 0.000 0.929 408 D CB 2.035 42.802 40.800 -0.055 0.000 1.182 408 D HN 0.376 nan 8.370 nan 0.000 0.433 409 S N 1.519 116.865 115.700 -0.590 0.000 2.516 409 S HA 0.106 4.576 4.470 -0.000 0.000 0.282 409 S C -1.527 172.753 174.600 -0.534 0.000 1.286 409 S CA -1.077 56.512 58.200 -1.018 0.000 1.066 409 S CB 0.724 63.585 63.200 -0.565 0.000 0.884 409 S HN 0.258 nan 8.310 nan 0.000 0.491 410 P HA 0.169 nan 4.420 nan 0.000 0.249 410 P C -0.413 176.517 177.300 -0.617 0.000 1.229 410 P CA 0.162 62.937 63.100 -0.542 0.000 0.788 410 P CB -0.040 31.359 31.700 -0.502 0.000 1.072 411 F N 1.282 121.145 119.950 -0.144 0.000 2.450 411 F HA 0.509 5.036 4.527 -0.000 0.000 0.328 411 F C -1.810 173.941 175.800 -0.081 0.000 1.068 411 F CA -2.943 54.994 58.000 -0.104 0.000 1.007 411 F CB -0.492 38.487 39.000 -0.036 0.000 1.251 411 F HN -0.278 nan 8.300 nan 0.000 0.492 412 P HA 0.160 nan 4.420 nan 0.000 0.277 412 P C -0.582 176.762 177.300 0.074 0.000 1.276 412 P CA -0.477 62.662 63.100 0.066 0.000 0.788 412 P CB 0.200 31.927 31.700 0.045 0.000 1.114 413 T N -0.025 114.565 114.554 0.060 0.000 2.937 413 T HA 0.324 4.674 4.350 -0.000 0.000 0.316 413 T C 1.164 175.912 174.700 0.080 0.000 1.079 413 T CA 1.425 63.572 62.100 0.080 0.000 1.131 413 T CB -0.772 68.142 68.868 0.077 0.000 1.000 413 T HN 0.861 nan 8.240 nan 0.000 0.549 414 G N 1.599 110.470 108.800 0.120 0.000 2.198 414 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 414 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 414 G C 0.936 175.826 174.900 -0.017 0.000 1.042 414 G CA 0.639 45.812 45.100 0.121 0.000 0.791 414 G HN 1.040 nan 8.290 nan 0.000 0.502 415 S N -1.192 114.472 115.700 -0.059 0.000 2.486 415 S HA 0.498 4.968 4.470 -0.000 0.000 0.220 415 S C 1.997 176.403 174.600 -0.323 0.000 1.011 415 S CA 1.537 59.649 58.200 -0.147 0.000 0.921 415 S CB 0.078 63.277 63.200 -0.001 0.000 0.785 415 S HN 2.342 nan 8.310 nan 0.000 0.517 416 A N 0.228 122.820 122.820 -0.380 0.000 2.905 416 A HA -0.206 4.114 4.320 -0.000 0.000 0.260 416 A C 0.196 177.679 177.584 -0.168 0.000 1.398 416 A CA 0.639 52.377 52.037 -0.497 0.000 0.840 416 A CB -3.075 15.432 19.000 -0.822 0.000 1.059 416 A HN 1.166 nan 8.150 nan 0.000 0.647 417 F N 0.513 120.369 119.950 -0.156 0.000 2.514 417 F HA 0.336 4.863 4.527 -0.000 0.000 0.399 417 F C 1.425 177.254 175.800 0.048 0.000 1.011 417 F CA 1.689 59.714 58.000 0.041 0.000 1.109 417 F CB -0.218 38.895 39.000 0.189 0.000 0.980 417 F HN 1.530 nan 8.300 nan 0.000 0.538 418 G N 5.008 113.537 108.800 -0.452 0.000 2.201 418 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.212 418 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.212 418 G C 0.774 175.603 174.900 -0.119 0.000 0.994 418 G CA 0.104 44.977 45.100 -0.378 0.000 0.644 418 G HN 0.735 nan 8.290 nan 0.000 0.508 419 F N 2.949 122.810 119.950 -0.148 0.000 2.154 419 F HA 0.111 4.638 4.527 -0.000 0.000 0.301 419 F C 1.634 177.364 175.800 -0.116 0.000 1.087 419 F CA 2.265 60.221 58.000 -0.073 0.000 1.274 419 F CB 0.095 39.113 39.000 0.030 0.000 1.009 419 F HN 0.440 nan 8.300 nan 0.000 0.485 420 S N 0.315 116.038 115.700 0.039 0.000 2.500 420 S HA 0.713 5.183 4.470 -0.000 0.000 0.301 420 S C -1.002 173.548 174.600 -0.083 0.000 1.092 420 S CA -0.845 57.321 58.200 -0.058 0.000 1.030 420 S CB 2.289 65.489 63.200 0.000 0.000 1.031 420 S HN 0.132 nan 8.310 nan 0.000 0.483 421 L N 1.663 122.833 121.223 -0.088 0.000 2.422 421 L HA 0.792 5.132 4.340 -0.000 0.000 0.264 421 L C -0.638 176.214 176.870 -0.030 0.000 0.984 421 L CA -0.750 54.052 54.840 -0.063 0.000 0.819 421 L CB 2.502 44.520 42.059 -0.069 0.000 1.330 421 L HN 0.720 nan 8.230 nan 0.000 0.410 422 R N 0.715 121.220 120.500 0.009 0.000 2.561 422 R HA 0.781 5.121 4.340 -0.000 0.000 0.266 422 R C -0.967 175.517 176.300 0.306 0.000 1.091 422 R CA -0.173 55.982 56.100 0.092 0.000 0.927 422 R CB 2.122 32.401 30.300 -0.035 0.000 1.240 422 R HN 0.755 nan 8.270 nan 0.000 0.449 423 G N 0.481 109.497 108.800 0.359 0.000 3.058 423 G HA2 0.576 4.536 3.960 -0.000 0.000 0.282 423 G HA3 0.576 4.536 3.960 -0.000 0.000 0.282 423 G C -0.557 174.420 174.900 0.128 0.000 1.248 423 G CA -0.055 45.237 45.100 0.319 0.000 0.822 423 G HN 1.326 nan 8.290 nan 0.000 0.579 424 A N -2.424 120.389 122.820 -0.011 0.000 2.952 424 A HA 0.034 4.354 4.320 -0.000 0.000 0.252 424 A C 0.087 177.543 177.584 -0.213 0.000 1.323 424 A CA 1.065 53.061 52.037 -0.069 0.000 0.957 424 A CB -2.045 16.956 19.000 0.001 0.000 1.130 424 A HN 1.777 nan 8.150 nan 0.000 0.799 425 V N 0.262 119.898 119.914 -0.463 0.000 2.760 425 V HA 0.533 4.653 4.120 -0.000 0.000 0.309 425 V C -0.532 175.210 176.094 -0.586 0.000 1.077 425 V CA -0.302 61.608 62.300 -0.650 0.000 0.910 425 V CB 2.007 33.125 31.823 -1.176 0.000 1.008 425 V HN 0.459 nan 8.190 nan 0.000 0.424 426 D N 3.235 123.417 120.400 -0.363 0.000 2.422 426 D HA 0.259 4.899 4.640 -0.000 0.000 0.227 426 D C 0.695 176.820 176.300 -0.291 0.000 1.190 426 D CA 0.056 53.901 54.000 -0.258 0.000 0.905 426 D CB 1.096 41.802 40.800 -0.156 0.000 1.034 426 D HN 0.555 nan 8.370 nan 0.000 0.507 427 I N 2.537 122.888 120.570 -0.366 0.000 2.584 427 I HA -0.118 4.052 4.170 -0.000 0.000 0.255 427 I C 1.045 176.766 176.117 -0.659 0.000 1.145 427 I CA 0.794 61.822 61.300 -0.453 0.000 1.462 427 I CB 0.395 38.098 38.000 -0.495 0.000 1.102 427 I HN 0.327 nan 8.210 nan 0.000 0.433 428 D N -1.141 118.902 120.400 -0.595 0.000 2.369 428 D HA -0.052 4.588 4.640 -0.000 0.000 0.211 428 D C 0.401 176.655 176.300 -0.077 0.000 1.077 428 D CA 0.082 53.865 54.000 -0.362 0.000 0.842 428 D CB -0.263 40.428 40.800 -0.180 0.000 0.947 428 D HN 0.253 nan 8.370 nan 0.000 0.509 429 D N 1.154 121.495 120.400 -0.097 0.000 2.746 429 D HA -0.198 4.442 4.640 -0.000 0.000 0.236 429 D C -0.013 176.294 176.300 0.012 0.000 1.129 429 D CA 0.955 54.937 54.000 -0.031 0.000 0.691 429 D CB -1.565 39.236 40.800 0.000 0.000 1.077 429 D HN 0.467 nan 8.370 nan 0.000 0.432 430 N N 0.071 118.788 118.700 0.029 0.000 2.214 430 N HA 0.249 4.989 4.740 -0.000 0.000 0.214 430 N C 1.419 177.032 175.510 0.171 0.000 1.132 430 N CA 0.673 53.775 53.050 0.088 0.000 0.856 430 N CB 0.250 38.784 38.487 0.078 0.000 1.020 430 N HN 0.534 nan 8.380 nan 0.000 0.509 431 G N -0.212 108.638 108.800 0.083 0.000 2.143 431 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.248 431 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.248 431 G C -0.923 173.927 174.900 -0.084 0.000 0.991 431 G CA 0.352 45.455 45.100 0.005 0.000 0.689 431 G HN 0.445 nan 8.290 nan 0.000 0.522 432 Y N -0.340 119.925 120.300 -0.058 0.000 2.406 432 Y HA 0.517 5.067 4.550 -0.000 0.000 0.340 432 Y C -2.225 173.628 175.900 -0.079 0.000 0.975 432 Y CA -2.443 55.625 58.100 -0.052 0.000 1.056 432 Y CB 2.298 40.739 38.460 -0.031 0.000 1.210 432 Y HN -0.051 nan 8.280 nan 0.000 0.448 433 P HA 0.072 nan 4.420 nan 0.000 0.269 433 P C -0.773 176.529 177.300 0.004 0.000 1.209 433 P CA 0.258 63.335 63.100 -0.038 0.000 0.776 433 P CB 0.946 32.624 31.700 -0.036 0.000 0.876 434 D N 0.928 121.295 120.400 -0.055 0.000 2.621 434 D HA 0.593 5.233 4.640 -0.000 0.000 0.255 434 D C -0.871 175.515 176.300 0.143 0.000 1.122 434 D CA -0.121 53.898 54.000 0.033 0.000 1.096 434 D CB 1.240 42.029 40.800 -0.019 0.000 1.282 434 D HN 0.103 nan 8.370 nan 0.000 0.619 435 L N 0.912 122.280 121.223 0.242 0.000 2.470 435 L HA 0.468 4.808 4.340 -0.000 0.000 0.268 435 L C -1.243 175.826 176.870 0.332 0.000 0.964 435 L CA -0.616 54.397 54.840 0.289 0.000 0.839 435 L CB 1.451 43.624 42.059 0.190 0.000 1.276 435 L HN 0.390 nan 8.230 nan 0.000 0.403 436 I N 2.882 123.606 120.570 0.257 0.000 2.493 436 I HA 0.837 5.007 4.170 -0.000 0.000 0.298 436 I C -1.153 175.033 176.117 0.115 0.000 0.998 436 I CA -0.959 60.437 61.300 0.159 0.000 1.137 436 I CB 1.991 39.950 38.000 -0.070 0.000 1.310 436 I HN 0.296 nan 8.210 nan 0.000 0.445 437 V N 4.585 124.607 119.914 0.181 0.000 2.482 437 V HA 0.605 4.725 4.120 -0.000 0.000 0.295 437 V C 0.614 176.774 176.094 0.109 0.000 1.026 437 V CA -0.445 61.901 62.300 0.076 0.000 0.856 437 V CB 1.425 33.273 31.823 0.042 0.000 1.001 437 V HN 1.004 nan 8.190 nan 0.000 0.424 438 G N 2.945 111.757 108.800 0.020 0.000 2.420 438 G HA2 0.605 4.565 3.960 -0.000 0.000 0.284 438 G HA3 0.605 4.565 3.960 -0.000 0.000 0.284 438 G C -0.103 174.822 174.900 0.043 0.000 1.177 438 G CA 0.010 45.142 45.100 0.053 0.000 0.841 438 G HN 1.220 nan 8.290 nan 0.000 0.527 439 A N 2.088 124.916 122.820 0.014 0.000 2.943 439 A HA 0.465 4.785 4.320 -0.000 0.000 0.327 439 A C 0.367 177.868 177.584 -0.139 0.000 1.141 439 A CA -0.639 51.333 52.037 -0.110 0.000 0.773 439 A CB 0.013 18.821 19.000 -0.320 0.000 1.143 439 A HN 1.047 nan 8.150 nan 0.000 0.463 440 Y N -0.010 120.256 120.300 -0.056 0.000 2.333 440 Y HA 0.062 4.612 4.550 -0.000 0.000 0.290 440 Y C 1.646 177.542 175.900 -0.008 0.000 1.144 440 Y CA 1.503 59.600 58.100 -0.005 0.000 1.228 440 Y CB -0.618 37.852 38.460 0.017 0.000 0.985 440 Y HN 0.370 nan 8.280 nan 0.000 0.542 441 G N 0.447 108.914 108.800 -0.555 0.000 2.432 441 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.219 441 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.219 441 G C 1.535 176.350 174.900 -0.140 0.000 1.135 441 G CA 0.708 45.615 45.100 -0.323 0.000 0.767 441 G HN 0.664 nan 8.290 nan 0.000 0.550 442 A N 0.096 122.801 122.820 -0.191 0.000 2.387 442 A HA 0.291 4.611 4.320 -0.000 0.000 0.234 442 A C 1.076 178.578 177.584 -0.137 0.000 1.253 442 A CA 0.309 52.236 52.037 -0.183 0.000 0.894 442 A CB -0.115 18.674 19.000 -0.351 0.000 0.963 442 A HN 0.255 nan 8.150 nan 0.000 0.508 443 N N -0.050 118.631 118.700 -0.033 0.000 2.721 443 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 443 N C -0.360 175.204 175.510 0.090 0.000 1.072 443 N CA 1.427 54.528 53.050 0.084 0.000 0.710 443 N CB -1.294 37.203 38.487 0.016 0.000 0.993 443 N HN 0.810 nan 8.380 nan 0.000 0.547 444 Q N -0.985 118.872 119.800 0.095 0.000 2.501 444 Q HA 0.731 5.071 4.340 -0.000 0.000 0.288 444 Q C -0.922 175.251 176.000 0.287 0.000 1.051 444 Q CA -0.825 55.075 55.803 0.161 0.000 0.788 444 Q CB 2.777 31.465 28.738 -0.082 0.000 1.469 444 Q HN 0.024 nan 8.270 nan 0.000 0.416 445 V N 0.402 120.624 119.914 0.513 0.000 2.735 445 V HA 0.845 4.965 4.120 -0.000 0.000 0.310 445 V C -1.152 175.303 176.094 0.601 0.000 1.061 445 V CA -0.761 61.816 62.300 0.462 0.000 0.913 445 V CB 1.824 33.866 31.823 0.365 0.000 1.005 445 V HN 0.822 nan 8.190 nan 0.000 0.428 446 A N 3.520 126.674 122.820 0.556 0.000 2.318 446 A HA 0.833 5.153 4.320 -0.000 0.000 0.317 446 A C -0.862 176.867 177.584 0.241 0.000 1.159 446 A CA -0.534 51.749 52.037 0.409 0.000 0.799 446 A CB 1.438 20.791 19.000 0.589 0.000 1.194 446 A HN 0.691 nan 8.150 nan 0.000 0.479 447 V N 2.965 122.931 119.914 0.087 0.000 2.383 447 V HA 0.283 4.403 4.120 -0.000 0.000 0.275 447 V C -1.071 174.994 176.094 -0.048 0.000 1.036 447 V CA -0.196 62.203 62.300 0.164 0.000 0.889 447 V CB 0.400 32.438 31.823 0.359 0.000 0.985 447 V HN 0.738 nan 8.190 nan 0.000 0.459 448 Y N 4.237 124.616 120.300 0.130 0.000 2.369 448 Y HA 0.519 5.069 4.550 -0.000 0.000 0.337 448 Y C 0.739 176.681 175.900 0.070 0.000 0.961 448 Y CA -0.495 57.660 58.100 0.090 0.000 1.186 448 Y CB 1.101 39.621 38.460 0.101 0.000 1.139 448 Y HN 0.486 nan 8.280 nan 0.000 0.494 449 R N 1.949 122.539 120.500 0.149 0.000 2.410 449 R HA 0.693 5.033 4.340 -0.000 0.000 0.288 449 R C -0.265 176.078 176.300 0.072 0.000 1.051 449 R CA -0.660 55.488 56.100 0.080 0.000 1.021 449 R CB 1.028 31.363 30.300 0.057 0.000 1.032 449 R HN 0.738 nan 8.270 nan 0.000 0.481 450 A N 2.864 125.710 122.820 0.044 0.000 2.354 450 A HA 0.285 4.605 4.320 -0.000 0.000 0.269 450 A C -0.487 177.023 177.584 -0.124 0.000 1.109 450 A CA -0.449 51.595 52.037 0.012 0.000 0.800 450 A CB 0.817 19.874 19.000 0.095 0.000 1.045 450 A HN 0.523 nan 8.150 nan 0.000 0.489 451 Q N 0.838 120.519 119.800 -0.198 0.000 2.484 451 Q HA 0.601 4.941 4.340 -0.000 0.000 0.285 451 Q C -2.520 173.215 176.000 -0.441 0.000 1.097 451 Q CA -1.520 54.104 55.803 -0.298 0.000 0.802 451 Q CB 1.550 30.205 28.738 -0.138 0.000 1.444 451 Q HN 0.699 nan 8.270 nan 0.000 0.429 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.923 63.100 -0.295 0.000 0.800 452 P CB 0.000 31.561 31.700 -0.231 0.000 0.726