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 3otp_1_D DATA FIRST_RESID 11 DATA SEQUENCE QMPSLAPMLE KVMPSVVSIN VEGSTXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XQKFMALGSG VIIDADKGYV VTNNHVVDNA DATA SEQUENCE TVIKVQLSDG RKFDAKMVGK DPRSDIALIQ IQNPKNLTAI KMADSDALRV DATA SEQUENCE GDYTVAIGNP FGLGETVTSG IVSALGRSGL NAENYENFIQ TDAAINRGNA DATA SEQUENCE GGALVNLNGE LIGINTAILA PDGGNIGIGF AIPSNMVKNL TSQMVEYGQV DATA SEQUENCE KRGELGIMGT ELNSELAKAM KVDAQRGAFV SQVLPNSSAA KAGIKAGDVI DATA SEQUENCE TSLNGKPISS FAALRAQVGT MPVGSKLTLG LLRDGKQVNV NLELQQSXXX DATA SEQUENCE XVDSSSIFNG IEGAEMSNKG KDQGVVVNNV KTGTPAAQIG LKKGDVIIGA DATA SEQUENCE NQQAVKNIAE LRKVLDSKPS VLALNIQRGD STIYLLMQ 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 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 175.994 176.000 -0.010 0.000 1.003 11 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 11 Q CB 0.000 28.734 28.738 -0.007 0.000 1.108 12 M N 4.005 123.598 119.600 -0.011 0.000 2.423 12 M HA 0.648 5.127 4.480 -0.001 0.000 0.335 12 M C -1.913 174.375 176.300 -0.019 0.000 1.177 12 M CA -1.866 53.425 55.300 -0.015 0.000 1.038 12 M CB 1.241 33.833 32.600 -0.013 0.000 1.641 12 M HN 0.491 nan 8.290 nan 0.000 0.455 13 P HA 0.262 nan 4.420 nan 0.000 0.271 13 P C -1.153 176.126 177.300 -0.034 0.000 1.216 13 P CA -0.233 62.846 63.100 -0.034 0.000 0.771 13 P CB 0.858 32.530 31.700 -0.047 0.000 0.864 14 S N 1.245 116.924 115.700 -0.034 0.000 2.550 14 S HA 0.350 4.819 4.470 -0.001 0.000 0.270 14 S C 0.359 174.942 174.600 -0.030 0.000 1.145 14 S CA -0.707 57.476 58.200 -0.029 0.000 0.852 14 S CB 0.698 63.887 63.200 -0.019 0.000 1.119 14 S HN 0.280 nan 8.310 nan 0.000 0.465 15 L N 2.853 124.061 121.223 -0.026 0.000 2.446 15 L HA 0.220 4.560 4.340 -0.001 0.000 0.219 15 L C 2.697 179.561 176.870 -0.010 0.000 1.116 15 L CA 0.856 55.684 54.840 -0.020 0.000 0.844 15 L CB -0.698 41.351 42.059 -0.017 0.000 0.970 15 L HN 0.849 nan 8.230 nan 0.000 0.457 16 A N 1.474 124.288 122.820 -0.009 0.000 1.915 16 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 16 A C -0.040 177.542 177.584 -0.003 0.000 1.198 16 A CA 2.038 54.073 52.037 -0.004 0.000 0.647 16 A CB -1.817 17.180 19.000 -0.004 0.000 0.825 16 A HN 0.270 nan 8.150 nan 0.000 0.456 17 P HA -0.207 nan 4.420 nan 0.000 0.215 17 P C 1.872 179.171 177.300 -0.002 0.000 1.157 17 P CA 1.555 64.652 63.100 -0.004 0.000 0.874 17 P CB -0.232 31.465 31.700 -0.006 0.000 0.790 18 M N -1.132 118.466 119.600 -0.003 0.000 2.175 18 M HA -0.085 4.395 4.480 -0.001 0.000 0.264 18 M C 1.814 178.116 176.300 0.003 0.000 1.063 18 M CA 1.752 57.053 55.300 0.000 0.000 1.119 18 M CB -1.066 31.534 32.600 -0.000 0.000 1.377 18 M HN -0.067 nan 8.290 nan 0.000 0.415 19 L N 0.446 121.671 121.223 0.003 0.000 2.109 19 L HA -0.182 4.158 4.340 -0.001 0.000 0.207 19 L C 2.384 179.258 176.870 0.007 0.000 1.086 19 L CA 1.477 56.321 54.840 0.006 0.000 0.760 19 L CB -0.757 41.306 42.059 0.006 0.000 0.910 19 L HN 0.420 nan 8.230 nan 0.000 0.437 20 E N 0.699 120.902 120.200 0.005 0.000 2.265 20 E HA -0.245 4.105 4.350 -0.001 0.000 0.196 20 E C 1.777 178.380 176.600 0.006 0.000 0.996 20 E CA 1.120 57.523 56.400 0.006 0.000 0.832 20 E CB -0.094 29.609 29.700 0.005 0.000 0.756 20 E HN 0.474 nan 8.360 nan 0.000 0.491 21 K N 0.415 120.818 120.400 0.006 0.000 2.211 21 K HA 0.049 4.368 4.320 -0.001 0.000 0.201 21 K C 2.032 178.636 176.600 0.006 0.000 1.052 21 K CA 0.801 57.091 56.287 0.005 0.000 0.973 21 K CB 0.457 32.960 32.500 0.004 0.000 0.766 21 K HN -0.000 nan 8.250 nan 0.000 0.466 22 V N 1.351 121.270 119.914 0.007 0.000 2.492 22 V HA -0.108 4.012 4.120 -0.001 0.000 0.241 22 V C 2.138 178.238 176.094 0.010 0.000 1.041 22 V CA 1.049 63.355 62.300 0.009 0.000 1.057 22 V CB -0.298 31.532 31.823 0.011 0.000 0.711 22 V HN 0.251 nan 8.190 nan 0.000 0.468 23 M N 0.095 119.702 119.600 0.011 0.000 2.124 23 M HA -0.231 4.249 4.480 -0.001 0.000 0.253 23 M C -0.154 176.154 176.300 0.013 0.000 1.077 23 M CA 2.548 57.856 55.300 0.013 0.000 1.085 23 M CB -1.795 30.814 32.600 0.014 0.000 1.320 23 M HN 0.269 nan 8.290 nan 0.000 0.404 24 P HA -0.147 nan 4.420 nan 0.000 0.218 24 P C 1.520 178.823 177.300 0.006 0.000 1.146 24 P CA 1.428 64.535 63.100 0.012 0.000 0.813 24 P CB -0.113 31.593 31.700 0.010 0.000 0.778 25 S N -1.267 114.435 115.700 0.004 0.000 2.481 25 S HA -0.013 4.457 4.470 -0.001 0.000 0.231 25 S C 0.734 175.336 174.600 0.002 0.000 0.996 25 S CA 0.256 58.456 58.200 -0.000 0.000 0.942 25 S CB -0.489 62.712 63.200 0.002 0.000 0.768 25 S HN -0.167 nan 8.310 nan 0.000 0.520 26 V N 3.334 123.253 119.914 0.008 0.000 2.383 26 V HA 0.518 4.638 4.120 -0.001 0.000 0.275 26 V C 0.138 176.241 176.094 0.014 0.000 1.036 26 V CA -0.565 61.742 62.300 0.011 0.000 0.889 26 V CB 1.117 32.949 31.823 0.015 0.000 0.985 26 V HN 0.309 nan 8.190 nan 0.000 0.459 27 V N 2.645 122.566 119.914 0.012 0.000 3.096 27 V HA 0.925 5.044 4.120 -0.001 0.000 0.319 27 V C -0.042 176.064 176.094 0.021 0.000 1.103 27 V CA -0.621 61.691 62.300 0.020 0.000 1.016 27 V CB 2.296 34.129 31.823 0.016 0.000 1.090 27 V HN 0.848 nan 8.190 nan 0.000 0.449 28 S N 2.091 117.808 115.700 0.029 0.000 2.472 28 S HA 0.794 5.264 4.470 -0.001 0.000 0.303 28 S C -0.614 174.003 174.600 0.028 0.000 1.099 28 S CA -0.653 57.562 58.200 0.025 0.000 1.077 28 S CB 1.175 64.392 63.200 0.027 0.000 1.031 28 S HN 0.748 nan 8.310 nan 0.000 0.487 29 I N 2.820 123.401 120.570 0.019 0.000 2.354 29 I HA 0.361 4.530 4.170 -0.001 0.000 0.292 29 I C -0.400 175.730 176.117 0.022 0.000 0.989 29 I CA -0.701 60.612 61.300 0.021 0.000 1.188 29 I CB 1.263 39.270 38.000 0.012 0.000 1.342 29 I HN 0.597 nan 8.210 nan 0.000 0.457 30 N N 5.753 124.468 118.700 0.025 0.000 2.400 30 N HA 0.537 5.277 4.740 -0.001 0.000 0.288 30 N C -1.070 174.447 175.510 0.013 0.000 1.024 30 N CA -0.341 52.722 53.050 0.021 0.000 0.894 30 N CB 2.912 41.410 38.487 0.019 0.000 1.173 30 N HN 0.188 nan 8.380 nan 0.000 0.487 31 V N 1.789 121.710 119.914 0.011 0.000 2.709 31 V HA 0.363 4.483 4.120 -0.001 0.000 0.308 31 V C -0.386 175.654 176.094 -0.090 0.000 1.062 31 V CA -0.740 61.552 62.300 -0.013 0.000 0.901 31 V CB 2.453 34.300 31.823 0.040 0.000 1.003 31 V HN 0.553 nan 8.190 nan 0.000 0.425 32 E N 2.122 122.223 120.200 -0.165 0.000 2.210 32 E HA 0.744 5.093 4.350 -0.001 0.000 0.266 32 E C -0.071 176.250 176.600 -0.466 0.000 0.883 32 E CA -0.444 55.773 56.400 -0.306 0.000 0.761 32 E CB 2.620 32.211 29.700 -0.182 0.000 1.156 32 E HN 0.880 nan 8.360 nan 0.000 0.412 33 G N 0.777 109.008 108.800 -0.948 0.000 2.827 33 G HA2 0.660 4.619 3.960 -0.001 0.000 0.296 33 G HA3 0.660 4.619 3.960 -0.001 0.000 0.296 33 G C -1.204 173.332 174.900 -0.607 0.000 1.362 33 G CA -0.630 43.955 45.100 -0.858 0.000 0.809 33 G HN 0.487 nan 8.290 nan 0.000 0.522 34 S N -1.740 113.938 115.700 -0.036 0.000 2.537 34 S HA 0.830 5.300 4.470 -0.001 0.000 0.270 34 S C -0.828 173.943 174.600 0.285 0.000 1.142 34 S CA -0.197 58.105 58.200 0.170 0.000 0.870 34 S CB 1.939 65.171 63.200 0.053 0.000 1.112 34 S HN 1.278 nan 8.310 nan 0.000 0.466 83 K N 0.993 121.446 120.400 0.088 0.000 2.174 83 K HA 1.003 5.322 4.320 -0.001 0.000 0.275 83 K C -0.174 176.505 176.600 0.131 0.000 1.015 83 K CA 0.169 56.487 56.287 0.052 0.000 0.933 83 K CB 0.473 32.964 32.500 -0.015 0.000 1.025 83 K HN 1.664 nan 8.250 nan 0.000 0.463 84 F N -2.219 117.742 119.950 0.018 0.000 2.629 84 F HA 0.859 5.386 4.527 -0.000 0.000 0.316 84 F C -0.305 175.507 175.800 0.020 0.000 1.081 84 F CA -1.370 56.642 58.000 0.020 0.000 0.954 84 F CB 1.481 40.494 39.000 0.022 0.000 1.337 84 F HN 0.676 nan 8.300 nan 0.000 0.474 85 M N 1.707 121.432 119.600 0.208 0.000 2.327 85 M HA 0.943 5.423 4.480 -0.001 0.000 0.298 85 M C -1.241 175.196 176.300 0.228 0.000 1.065 85 M CA -0.330 55.030 55.300 0.099 0.000 0.916 85 M CB 0.771 33.398 32.600 0.044 0.000 1.630 85 M HN 1.852 nan 8.290 nan 0.000 0.442 86 A N 2.478 125.415 122.820 0.195 0.000 2.527 86 A HA 1.060 5.380 4.320 -0.001 0.000 0.293 86 A C -1.345 176.295 177.584 0.094 0.000 1.117 86 A CA -0.514 51.630 52.037 0.177 0.000 0.723 86 A CB 1.545 20.699 19.000 0.257 0.000 1.313 86 A HN 2.595 nan 8.150 nan 0.000 0.411 87 L N -1.936 119.324 121.223 0.062 0.000 2.466 87 L HA 1.047 5.387 4.340 -0.001 0.000 0.258 87 L C -0.053 176.819 176.870 0.004 0.000 0.973 87 L CA 0.248 55.107 54.840 0.031 0.000 0.826 87 L CB 1.405 43.481 42.059 0.029 0.000 1.372 87 L HN 1.470 nan 8.230 nan 0.000 0.409 88 G N -0.023 108.774 108.800 -0.006 0.000 2.677 88 G HA2 0.761 4.720 3.960 -0.001 0.000 0.283 88 G HA3 0.761 4.720 3.960 -0.001 0.000 0.283 88 G C -1.509 173.382 174.900 -0.015 0.000 1.221 88 G CA -0.191 44.894 45.100 -0.025 0.000 0.851 88 G HN 0.787 nan 8.290 nan 0.000 0.504 89 S N -1.929 113.760 115.700 -0.019 0.000 2.704 89 S HA 0.923 5.393 4.470 -0.001 0.000 0.296 89 S C -0.189 174.407 174.600 -0.007 0.000 1.138 89 S CA -0.040 58.156 58.200 -0.006 0.000 0.875 89 S CB 1.866 65.065 63.200 -0.001 0.000 1.151 89 S HN 1.556 nan 8.310 nan 0.000 0.500 90 G N -0.309 108.492 108.800 0.003 0.000 2.684 90 G HA2 0.619 4.579 3.960 -0.001 0.000 0.290 90 G HA3 0.619 4.579 3.960 -0.001 0.000 0.290 90 G C -2.053 172.851 174.900 0.008 0.000 1.425 90 G CA -0.517 44.585 45.100 0.004 0.000 0.822 90 G HN 0.638 nan 8.290 nan 0.000 0.482 91 V N 1.087 121.007 119.914 0.010 0.000 2.531 91 V HA 0.369 4.489 4.120 -0.001 0.000 0.301 91 V C 0.110 176.210 176.094 0.010 0.000 1.034 91 V CA -0.611 61.695 62.300 0.010 0.000 0.865 91 V CB 1.656 33.488 31.823 0.015 0.000 0.995 91 V HN 0.682 nan 8.190 nan 0.000 0.424 92 I N 5.792 126.363 120.570 0.002 0.000 2.578 92 I HA 0.047 4.217 4.170 -0.001 0.000 0.286 92 I C 0.937 177.063 176.117 0.015 0.000 1.126 92 I CA 0.081 61.380 61.300 -0.001 0.000 1.380 92 I CB 0.565 38.548 38.000 -0.027 0.000 1.408 92 I HN 0.563 nan 8.210 nan 0.000 0.532 93 I N 3.735 124.330 120.570 0.042 0.000 2.494 93 I HA 0.018 4.187 4.170 -0.001 0.000 0.250 93 I C 0.901 177.055 176.117 0.063 0.000 1.112 93 I CA 1.242 62.572 61.300 0.049 0.000 1.438 93 I CB -0.504 37.527 38.000 0.053 0.000 1.111 93 I HN 0.524 nan 8.210 nan 0.000 0.431 94 D N 0.784 121.241 120.400 0.096 0.000 2.440 94 D HA 0.449 5.088 4.640 -0.001 0.000 0.252 94 D C 0.896 177.180 176.300 -0.027 0.000 1.180 94 D CA -0.132 53.908 54.000 0.066 0.000 0.894 94 D CB 1.958 42.866 40.800 0.180 0.000 1.111 94 D HN 0.047 nan 8.370 nan 0.000 0.544 95 A N 3.564 126.361 122.820 -0.037 0.000 1.940 95 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 95 A C 1.763 179.285 177.584 -0.103 0.000 1.176 95 A CA 1.478 53.473 52.037 -0.069 0.000 0.631 95 A CB -0.116 18.855 19.000 -0.048 0.000 0.814 95 A HN 0.639 nan 8.150 nan 0.000 0.446 96 D N -0.651 119.693 120.400 -0.093 0.000 2.091 96 D HA -0.105 4.534 4.640 -0.001 0.000 0.199 96 D C 1.442 177.636 176.300 -0.178 0.000 0.980 96 D CA 1.042 54.977 54.000 -0.108 0.000 0.831 96 D CB -0.051 40.705 40.800 -0.074 0.000 0.987 96 D HN 0.173 nan 8.370 nan 0.000 0.460 97 K N -0.058 120.186 120.400 -0.261 0.000 2.432 97 K HA 0.059 4.379 4.320 -0.001 0.000 0.196 97 K C 1.291 177.553 176.600 -0.563 0.000 1.038 97 K CA 0.748 56.737 56.287 -0.497 0.000 0.986 97 K CB -0.014 31.962 32.500 -0.875 0.000 0.782 97 K HN 0.331 nan 8.250 nan 0.000 0.485 98 G N 1.597 110.174 108.800 -0.371 0.000 2.198 98 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.257 98 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.257 98 G C -0.378 174.400 174.900 -0.204 0.000 1.042 98 G CA -0.104 44.828 45.100 -0.281 0.000 0.791 98 G HN 0.361 nan 8.290 nan 0.000 0.502 99 Y N -0.889 119.371 120.300 -0.067 0.000 2.402 99 Y HA 0.425 4.975 4.550 -0.001 0.000 0.333 99 Y C 0.713 176.583 175.900 -0.050 0.000 1.076 99 Y CA -0.886 57.183 58.100 -0.052 0.000 1.299 99 Y CB 1.422 39.856 38.460 -0.043 0.000 1.197 99 Y HN 0.053 nan 8.280 nan 0.000 0.517 100 V N 5.812 125.807 119.914 0.135 0.000 2.443 100 V HA 0.185 4.304 4.120 -0.001 0.000 0.293 100 V C -0.398 175.720 176.094 0.040 0.000 1.021 100 V CA -0.867 61.467 62.300 0.056 0.000 0.848 100 V CB 1.718 33.553 31.823 0.020 0.000 0.998 100 V HN 0.562 nan 8.190 nan 0.000 0.424 101 V N 5.311 125.239 119.914 0.024 0.000 2.953 101 V HA 0.818 4.938 4.120 -0.001 0.000 0.304 101 V C 0.255 176.353 176.094 0.006 0.000 1.073 101 V CA 0.932 63.237 62.300 0.009 0.000 1.064 101 V CB 1.893 33.718 31.823 0.004 0.000 1.047 101 V HN 1.106 nan 8.190 nan 0.000 0.478 102 T N 3.457 118.011 114.554 0.000 0.000 2.677 102 T HA 0.286 4.636 4.350 -0.001 0.000 0.305 102 T C -0.876 173.809 174.700 -0.024 0.000 1.569 102 T CA -0.623 61.469 62.100 -0.014 0.000 0.984 102 T CB 0.893 69.745 68.868 -0.026 0.000 1.629 102 T HN 0.822 nan 8.240 nan 0.000 0.494 103 N N 1.880 120.535 118.700 -0.075 0.000 2.513 103 N HA 0.186 4.926 4.740 -0.001 0.000 0.268 103 N C 1.102 176.535 175.510 -0.128 0.000 1.180 103 N CA -0.257 52.729 53.050 -0.107 0.000 0.948 103 N CB 0.655 38.959 38.487 -0.305 0.000 1.083 103 N HN 0.615 nan 8.380 nan 0.000 0.455 104 N N 1.463 120.162 118.700 -0.002 0.000 2.223 104 N HA -0.222 4.518 4.740 -0.001 0.000 0.185 104 N C 1.494 177.022 175.510 0.031 0.000 1.016 104 N CA 1.254 54.321 53.050 0.029 0.000 0.863 104 N CB 0.042 38.574 38.487 0.076 0.000 0.983 104 N HN 0.644 nan 8.380 nan 0.000 0.429 105 H N -1.710 117.383 119.070 0.039 0.000 2.555 105 H HA 0.090 4.646 4.556 -0.001 0.000 0.269 105 H C 1.318 176.665 175.328 0.031 0.000 0.988 105 H CA 0.622 56.686 56.048 0.026 0.000 1.178 105 H CB -0.098 29.674 29.762 0.017 0.000 1.373 105 H HN 0.137 nan 8.280 nan 0.000 0.588 106 V N 0.697 120.418 119.914 -0.322 0.000 2.725 106 V HA -0.064 4.055 4.120 -0.001 0.000 0.247 106 V C 2.082 178.168 176.094 -0.014 0.000 1.058 106 V CA 0.978 63.166 62.300 -0.186 0.000 1.080 106 V CB 0.514 32.193 31.823 -0.240 0.000 0.713 106 V HN 0.352 nan 8.190 nan 0.000 0.465 107 V N -0.147 119.767 119.914 -0.002 0.000 3.380 107 V HA 0.274 4.394 4.120 -0.001 0.000 0.307 107 V C 0.259 176.404 176.094 0.085 0.000 1.434 107 V CA -0.121 62.208 62.300 0.048 0.000 1.075 107 V CB 0.436 32.272 31.823 0.023 0.000 0.954 107 V HN 0.529 nan 8.190 nan 0.000 0.444 108 D N 1.386 121.843 120.400 0.095 0.000 2.414 108 D HA 0.096 4.736 4.640 -0.001 0.000 0.242 108 D C 0.573 176.981 176.300 0.180 0.000 1.129 108 D CA 0.596 54.660 54.000 0.107 0.000 0.885 108 D CB 0.374 41.223 40.800 0.083 0.000 1.198 108 D HN 0.329 nan 8.370 nan 0.000 0.437 109 N N 1.210 120.004 118.700 0.157 0.000 2.725 109 N HA -0.181 4.558 4.740 -0.001 0.000 0.251 109 N C -1.294 174.362 175.510 0.243 0.000 1.031 109 N CA 0.973 54.148 53.050 0.208 0.000 0.720 109 N CB -1.421 37.218 38.487 0.255 0.000 0.930 109 N HN 0.451 nan 8.380 nan 0.000 0.543 110 A N -0.476 122.423 122.820 0.133 0.000 2.271 110 A HA 0.613 4.933 4.320 -0.001 0.000 0.317 110 A C 1.438 179.023 177.584 0.002 0.000 1.245 110 A CA 0.139 52.206 52.037 0.049 0.000 0.857 110 A CB 0.693 19.726 19.000 0.054 0.000 1.175 110 A HN 0.346 nan 8.150 nan 0.000 0.512 111 T N -0.245 114.277 114.554 -0.054 0.000 2.976 111 T HA 0.169 4.518 4.350 -0.001 0.000 0.257 111 T C 0.447 175.125 174.700 -0.036 0.000 1.051 111 T CA 0.952 63.027 62.100 -0.041 0.000 1.141 111 T CB -0.209 68.622 68.868 -0.062 0.000 0.881 111 T HN 0.398 nan 8.240 nan 0.000 0.461 112 V N 1.719 121.600 119.914 -0.056 0.000 2.588 112 V HA 0.574 4.694 4.120 -0.001 0.000 0.304 112 V C -0.842 175.237 176.094 -0.025 0.000 1.042 112 V CA -1.088 61.190 62.300 -0.036 0.000 0.877 112 V CB 1.823 33.619 31.823 -0.045 0.000 0.996 112 V HN 0.397 nan 8.190 nan 0.000 0.425 113 I N 4.816 125.385 120.570 -0.002 0.000 2.439 113 I HA 0.510 4.679 4.170 -0.001 0.000 0.285 113 I C -0.379 175.754 176.117 0.026 0.000 1.021 113 I CA -0.529 60.778 61.300 0.012 0.000 1.091 113 I CB 1.716 39.729 38.000 0.021 0.000 1.242 113 I HN 0.442 nan 8.210 nan 0.000 0.439 114 K N 5.590 126.007 120.400 0.028 0.000 2.345 114 K HA 0.698 5.018 4.320 -0.001 0.000 0.255 114 K C -1.198 175.438 176.600 0.060 0.000 0.934 114 K CA -0.842 55.473 56.287 0.047 0.000 0.801 114 K CB 3.328 35.846 32.500 0.030 0.000 1.137 114 K HN 0.237 nan 8.250 nan 0.000 0.424 115 V N 2.745 122.718 119.914 0.098 0.000 2.459 115 V HA 0.250 4.370 4.120 -0.001 0.000 0.295 115 V C -0.392 175.790 176.094 0.148 0.000 1.029 115 V CA -0.680 61.682 62.300 0.103 0.000 0.874 115 V CB 1.604 33.479 31.823 0.086 0.000 0.985 115 V HN 0.714 nan 8.190 nan 0.000 0.438 116 Q N 4.171 124.034 119.800 0.106 0.000 2.333 116 Q HA 0.604 4.943 4.340 -0.001 0.000 0.268 116 Q C -1.118 174.943 176.000 0.101 0.000 1.007 116 Q CA -0.590 55.279 55.803 0.109 0.000 0.810 116 Q CB 1.607 30.383 28.738 0.065 0.000 1.264 116 Q HN 0.695 nan 8.270 nan 0.000 0.452 117 L N 1.414 122.719 121.223 0.135 0.000 2.479 117 L HA 0.200 4.539 4.340 -0.001 0.000 0.248 117 L C 1.664 178.575 176.870 0.068 0.000 1.205 117 L CA -0.060 54.840 54.840 0.099 0.000 0.817 117 L CB 0.625 42.767 42.059 0.137 0.000 1.162 117 L HN 0.858 nan 8.230 nan 0.000 0.486 118 S N -0.754 114.976 115.700 0.050 0.000 2.423 118 S HA -0.164 4.305 4.470 -0.001 0.000 0.231 118 S C 1.014 175.637 174.600 0.038 0.000 1.014 118 S CA 1.039 59.262 58.200 0.038 0.000 0.965 118 S CB -0.513 62.705 63.200 0.029 0.000 0.785 118 S HN 0.848 nan 8.310 nan 0.000 0.495 119 D N 0.087 120.514 120.400 0.046 0.000 2.340 119 D HA 0.320 4.960 4.640 -0.001 0.000 0.220 119 D C 1.403 177.725 176.300 0.036 0.000 1.039 119 D CA 0.577 54.601 54.000 0.039 0.000 0.866 119 D CB -0.474 40.352 40.800 0.042 0.000 0.913 119 D HN 0.569 nan 8.370 nan 0.000 0.523 120 G N 0.087 108.913 108.800 0.043 0.000 2.194 120 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.236 120 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.236 120 G C 0.293 175.208 174.900 0.024 0.000 0.987 120 G CA -0.270 44.849 45.100 0.031 0.000 0.635 120 G HN 0.401 nan 8.290 nan 0.000 0.520 121 R N 0.924 121.451 120.500 0.045 0.000 2.570 121 R HA 0.407 4.746 4.340 -0.001 0.000 0.277 121 R C 0.303 176.607 176.300 0.007 0.000 1.039 121 R CA 0.414 56.514 56.100 -0.001 0.000 1.065 121 R CB 0.474 30.817 30.300 0.072 0.000 0.964 121 R HN 0.226 nan 8.270 nan 0.000 0.428 122 K N 2.419 122.722 120.400 -0.161 0.000 2.156 122 K HA 0.444 4.763 4.320 -0.001 0.000 0.254 122 K C -0.888 175.502 176.600 -0.350 0.000 0.950 122 K CA -0.413 55.812 56.287 -0.102 0.000 0.849 122 K CB 1.146 33.599 32.500 -0.078 0.000 1.100 122 K HN 0.253 nan 8.250 nan 0.000 0.434 123 F N -0.162 119.785 119.950 -0.006 0.000 2.643 123 F HA 0.276 4.803 4.527 0.000 0.000 0.314 123 F C -0.085 175.711 175.800 -0.007 0.000 1.096 123 F CA -0.908 57.087 58.000 -0.008 0.000 0.953 123 F CB 1.783 40.777 39.000 -0.010 0.000 1.345 123 F HN 0.322 nan 8.300 nan 0.000 0.468 124 D N 1.089 121.604 120.400 0.191 0.000 2.192 124 D HA 0.636 5.276 4.640 -0.001 0.000 0.246 124 D C -0.949 175.411 176.300 0.099 0.000 1.042 124 D CA -0.104 53.959 54.000 0.105 0.000 0.847 124 D CB 2.192 43.027 40.800 0.059 0.000 1.186 124 D HN 0.605 nan 8.370 nan 0.000 0.461 125 A N 2.399 125.259 122.820 0.066 0.000 2.374 125 A HA 0.592 4.912 4.320 -0.001 0.000 0.317 125 A C -0.516 177.091 177.584 0.038 0.000 1.094 125 A CA -0.713 51.353 52.037 0.048 0.000 0.765 125 A CB 1.559 20.585 19.000 0.042 0.000 1.268 125 A HN 0.428 nan 8.150 nan 0.000 0.438 126 K N 1.023 121.445 120.400 0.038 0.000 2.259 126 K HA 0.471 4.790 4.320 -0.001 0.000 0.252 126 K C -0.594 176.032 176.600 0.044 0.000 0.936 126 K CA -0.870 55.439 56.287 0.036 0.000 0.810 126 K CB 2.116 34.636 32.500 0.034 0.000 1.143 126 K HN 0.755 nan 8.250 nan 0.000 0.427 127 M N 2.497 122.120 119.600 0.039 0.000 2.251 127 M HA -0.045 4.434 4.480 -0.001 0.000 0.343 127 M C -0.044 176.283 176.300 0.044 0.000 1.245 127 M CA 0.606 55.930 55.300 0.039 0.000 1.061 127 M CB 0.737 33.358 32.600 0.035 0.000 1.723 127 M HN 0.558 nan 8.290 nan 0.000 0.449 128 V N 2.971 122.911 119.914 0.043 0.000 3.090 128 V HA 0.530 4.650 4.120 -0.001 0.000 0.237 128 V C 0.807 176.908 176.094 0.012 0.000 1.209 128 V CA 0.787 63.110 62.300 0.038 0.000 1.209 128 V CB 0.528 32.382 31.823 0.052 0.000 0.971 128 V HN 0.965 nan 8.190 nan 0.000 0.477 129 G N 0.548 109.350 108.800 0.003 0.000 2.698 129 G HA2 0.659 4.619 3.960 -0.001 0.000 0.293 129 G HA3 0.659 4.619 3.960 -0.001 0.000 0.293 129 G C -1.679 173.225 174.900 0.007 0.000 1.437 129 G CA -0.580 44.521 45.100 0.001 0.000 0.852 129 G HN 0.280 nan 8.290 nan 0.000 0.499 130 K N 0.034 120.442 120.400 0.014 0.000 2.542 130 K HA 0.629 4.949 4.320 -0.001 0.000 0.259 130 K C -2.323 174.292 176.600 0.024 0.000 0.932 130 K CA -0.977 55.323 56.287 0.021 0.000 0.820 130 K CB 2.977 35.495 32.500 0.030 0.000 1.345 130 K HN 0.380 nan 8.250 nan 0.000 0.432 131 D N 3.341 123.759 120.400 0.031 0.000 2.346 131 D HA 0.314 4.953 4.640 -0.001 0.000 0.255 131 D C -2.082 174.254 176.300 0.061 0.000 1.276 131 D CA -2.238 51.784 54.000 0.037 0.000 0.941 131 D CB 1.957 42.767 40.800 0.017 0.000 1.199 131 D HN 0.225 nan 8.370 nan 0.000 0.537 132 P HA -0.118 nan 4.420 nan 0.000 0.216 132 P C 1.471 178.825 177.300 0.089 0.000 1.150 132 P CA 0.700 63.845 63.100 0.076 0.000 0.837 132 P CB 0.349 32.086 31.700 0.061 0.000 0.786 133 R N -0.093 120.474 120.500 0.111 0.000 2.105 133 R HA -0.054 4.286 4.340 -0.001 0.000 0.239 133 R C 2.070 178.487 176.300 0.195 0.000 1.135 133 R CA 2.028 58.226 56.100 0.164 0.000 0.967 133 R CB -1.322 29.167 30.300 0.315 0.000 0.861 133 R HN 0.349 nan 8.270 nan 0.000 0.442 134 S N -0.839 114.956 115.700 0.159 0.000 2.539 134 S HA 0.039 4.508 4.470 -0.001 0.000 0.221 134 S C 0.301 174.961 174.600 0.099 0.000 0.987 134 S CA 0.130 58.398 58.200 0.113 0.000 0.929 134 S CB 0.473 63.703 63.200 0.051 0.000 0.832 134 S HN 0.194 nan 8.310 nan 0.000 0.492 135 D N 0.527 120.995 120.400 0.114 0.000 2.945 135 D HA -0.132 4.508 4.640 -0.001 0.000 0.225 135 D C -0.876 175.496 176.300 0.121 0.000 1.158 135 D CA 0.513 54.603 54.000 0.150 0.000 0.805 135 D CB -1.441 39.491 40.800 0.220 0.000 1.098 135 D HN 0.443 nan 8.370 nan 0.000 0.426 136 I N 0.545 121.159 120.570 0.074 0.000 2.378 136 I HA 0.662 4.832 4.170 -0.001 0.000 0.291 136 I C 0.727 176.859 176.117 0.025 0.000 0.992 136 I CA -0.700 60.627 61.300 0.044 0.000 1.154 136 I CB 1.241 39.256 38.000 0.025 0.000 1.315 136 I HN 0.135 nan 8.210 nan 0.000 0.448 137 A N 6.666 129.494 122.820 0.014 0.000 2.413 137 A HA 0.849 5.169 4.320 -0.001 0.000 0.307 137 A C -1.520 176.062 177.584 -0.003 0.000 1.087 137 A CA -0.547 51.494 52.037 0.007 0.000 0.750 137 A CB 2.134 21.140 19.000 0.010 0.000 1.296 137 A HN 0.539 nan 8.150 nan 0.000 0.423 138 L N 2.457 123.676 121.223 -0.007 0.000 2.381 138 L HA 0.801 5.141 4.340 -0.001 0.000 0.274 138 L C -0.591 176.290 176.870 0.020 0.000 0.988 138 L CA -0.430 54.403 54.840 -0.012 0.000 0.824 138 L CB 1.336 43.355 42.059 -0.067 0.000 1.263 138 L HN 0.755 nan 8.230 nan 0.000 0.410 139 I N 0.974 121.573 120.570 0.048 0.000 3.067 139 I HA 0.673 4.843 4.170 -0.001 0.000 0.312 139 I C -1.190 175.002 176.117 0.125 0.000 1.073 139 I CA -0.790 60.552 61.300 0.069 0.000 1.016 139 I CB 2.148 40.175 38.000 0.045 0.000 1.227 139 I HN 0.766 nan 8.210 nan 0.000 0.456 140 Q N 2.883 122.744 119.800 0.101 0.000 2.292 140 Q HA 0.515 4.855 4.340 -0.001 0.000 0.270 140 Q C -1.453 174.544 176.000 -0.004 0.000 1.024 140 Q CA -0.729 55.118 55.803 0.073 0.000 0.768 140 Q CB 2.247 31.044 28.738 0.098 0.000 1.250 140 Q HN 0.730 nan 8.270 nan 0.000 0.447 141 I N 4.033 124.564 120.570 -0.066 0.000 2.598 141 I HA -0.042 4.128 4.170 -0.001 0.000 0.284 141 I C 0.315 176.396 176.117 -0.059 0.000 1.140 141 I CA 0.074 61.321 61.300 -0.089 0.000 1.420 141 I CB 0.606 38.450 38.000 -0.260 0.000 1.387 141 I HN 0.459 nan 8.210 nan 0.000 0.553 142 Q N 6.111 125.929 119.800 0.031 0.000 2.304 142 Q HA 0.132 4.471 4.340 -0.001 0.000 0.260 142 Q C -0.057 176.010 176.000 0.112 0.000 0.965 142 Q CA -0.173 55.661 55.803 0.052 0.000 0.898 142 Q CB 0.659 29.436 28.738 0.066 0.000 1.196 142 Q HN 0.496 nan 8.270 nan 0.000 0.402 143 N N 1.174 119.911 118.700 0.061 0.000 2.681 143 N HA -0.125 4.614 4.740 -0.001 0.000 0.259 143 N C -2.607 172.969 175.510 0.110 0.000 1.066 143 N CA 0.194 53.299 53.050 0.091 0.000 0.717 143 N CB -0.922 37.642 38.487 0.129 0.000 0.885 143 N HN 0.344 nan 8.380 nan 0.000 0.547 144 P HA 0.151 nan 4.420 nan 0.000 0.271 144 P C -0.295 176.971 177.300 -0.057 0.000 1.233 144 P CA 0.604 63.608 63.100 -0.161 0.000 0.764 144 P CB 0.574 32.159 31.700 -0.192 0.000 0.825 145 K N 3.087 123.475 120.400 -0.019 0.000 2.545 145 K HA 0.275 4.595 4.320 -0.001 0.000 0.252 145 K C -0.422 176.203 176.600 0.040 0.000 0.948 145 K CA -0.727 55.597 56.287 0.063 0.000 0.827 145 K CB 1.039 33.640 32.500 0.170 0.000 1.128 145 K HN 0.205 nan 8.250 nan 0.000 0.429 146 N N 2.468 121.172 118.700 0.006 0.000 2.708 146 N HA -0.184 4.556 4.740 -0.001 0.000 0.255 146 N C -1.178 174.323 175.510 -0.015 0.000 1.046 146 N CA 0.562 53.616 53.050 0.006 0.000 0.715 146 N CB -0.904 37.604 38.487 0.035 0.000 0.895 146 N HN 0.568 nan 8.380 nan 0.000 0.545 147 L N -0.418 120.771 121.223 -0.058 0.000 2.448 147 L HA 0.552 4.892 4.340 -0.001 0.000 0.258 147 L C 0.854 177.696 176.870 -0.047 0.000 1.104 147 L CA -0.567 54.225 54.840 -0.079 0.000 0.800 147 L CB 1.340 43.315 42.059 -0.142 0.000 1.241 147 L HN 0.124 nan 8.230 nan 0.000 0.472 148 T N 0.787 115.316 114.554 -0.041 0.000 2.881 148 T HA 0.582 4.931 4.350 -0.001 0.000 0.291 148 T C -0.391 174.296 174.700 -0.022 0.000 0.990 148 T CA -0.472 61.614 62.100 -0.024 0.000 0.976 148 T CB 1.652 70.514 68.868 -0.011 0.000 0.970 148 T HN 0.650 nan 8.240 nan 0.000 0.438 149 A N 3.403 126.213 122.820 -0.017 0.000 2.279 149 A HA 0.848 5.168 4.320 -0.001 0.000 0.303 149 A C -0.223 177.361 177.584 -0.001 0.000 1.108 149 A CA -0.733 51.299 52.037 -0.008 0.000 0.830 149 A CB 0.502 19.500 19.000 -0.003 0.000 1.106 149 A HN 0.899 nan 8.150 nan 0.000 0.493 150 I N 0.222 120.794 120.570 0.004 0.000 2.498 150 I HA 0.580 4.750 4.170 -0.001 0.000 0.301 150 I C 0.589 176.711 176.117 0.008 0.000 0.984 150 I CA -0.538 60.766 61.300 0.007 0.000 1.204 150 I CB 1.368 39.374 38.000 0.010 0.000 1.362 150 I HN 0.753 nan 8.210 nan 0.000 0.471 151 K N 7.761 128.166 120.400 0.008 0.000 2.234 151 K HA 0.498 4.817 4.320 -0.001 0.000 0.282 151 K C -0.687 175.919 176.600 0.010 0.000 1.039 151 K CA -0.350 55.941 56.287 0.008 0.000 0.928 151 K CB 0.662 33.167 32.500 0.007 0.000 1.039 151 K HN 0.685 nan 8.250 nan 0.000 0.470 152 M N 2.049 121.655 119.600 0.009 0.000 2.277 152 M HA 0.498 4.977 4.480 -0.001 0.000 0.350 152 M C 0.437 176.743 176.300 0.010 0.000 1.180 152 M CA -0.586 54.720 55.300 0.010 0.000 1.103 152 M CB 1.899 34.503 32.600 0.007 0.000 1.577 152 M HN 0.801 nan 8.290 nan 0.000 0.459 153 A N 1.326 124.154 122.820 0.013 0.000 2.281 153 A HA 0.410 4.730 4.320 -0.001 0.000 0.329 153 A C -0.776 176.815 177.584 0.012 0.000 1.122 153 A CA -0.651 51.394 52.037 0.013 0.000 0.850 153 A CB 0.716 19.727 19.000 0.018 0.000 1.207 153 A HN 0.738 nan 8.150 nan 0.000 0.495 154 D N 0.768 121.175 120.400 0.011 0.000 2.359 154 D HA 0.181 4.821 4.640 -0.001 0.000 0.250 154 D C 1.497 177.804 176.300 0.012 0.000 1.264 154 D CA 0.752 54.757 54.000 0.008 0.000 0.911 154 D CB 0.565 41.368 40.800 0.006 0.000 1.056 154 D HN 0.437 nan 8.370 nan 0.000 0.499 155 S N 2.485 118.193 115.700 0.013 0.000 2.469 155 S HA -0.182 4.287 4.470 -0.001 0.000 0.238 155 S C 1.127 175.736 174.600 0.016 0.000 0.998 155 S CA 0.543 58.755 58.200 0.018 0.000 0.957 155 S CB 0.039 63.252 63.200 0.022 0.000 0.764 155 S HN 0.402 nan 8.310 nan 0.000 0.514 156 D N 1.846 122.252 120.400 0.010 0.000 2.371 156 D HA 0.216 4.855 4.640 -0.001 0.000 0.221 156 D C 1.614 177.920 176.300 0.010 0.000 0.986 156 D CA 0.919 54.924 54.000 0.008 0.000 0.899 156 D CB -0.149 40.653 40.800 0.003 0.000 0.902 156 D HN 0.641 nan 8.370 nan 0.000 0.530 157 A N -0.157 122.670 122.820 0.012 0.000 2.267 157 A HA 0.174 4.493 4.320 -0.001 0.000 0.213 157 A C 1.034 178.626 177.584 0.014 0.000 1.192 157 A CA -0.271 51.773 52.037 0.012 0.000 0.851 157 A CB 0.030 19.037 19.000 0.013 0.000 0.881 157 A HN 0.120 nan 8.150 nan 0.000 0.494 158 L N 1.033 122.266 121.223 0.016 0.000 2.485 158 L HA 0.173 4.513 4.340 -0.001 0.000 0.275 158 L C 0.221 177.098 176.870 0.011 0.000 1.207 158 L CA 0.349 55.198 54.840 0.016 0.000 0.855 158 L CB 0.387 42.460 42.059 0.022 0.000 1.114 158 L HN 0.364 nan 8.230 nan 0.000 0.485 159 R N 1.863 122.365 120.500 0.003 0.000 2.673 159 R HA 0.422 4.761 4.340 -0.001 0.000 0.281 159 R C -1.221 175.068 176.300 -0.018 0.000 0.991 159 R CA -1.012 55.086 56.100 -0.003 0.000 0.896 159 R CB 2.089 32.387 30.300 -0.004 0.000 1.201 159 R HN 0.240 nan 8.270 nan 0.000 0.457 160 V N 2.535 122.438 119.914 -0.017 0.000 2.509 160 V HA 0.142 4.262 4.120 -0.001 0.000 0.297 160 V C 1.333 177.389 176.094 -0.064 0.000 1.014 160 V CA 2.061 64.341 62.300 -0.034 0.000 1.127 160 V CB 0.561 32.371 31.823 -0.021 0.000 0.925 160 V HN 1.177 nan 8.190 nan 0.000 0.480 161 G N 3.804 112.537 108.800 -0.111 0.000 2.380 161 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.197 161 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.197 161 G C -0.046 174.681 174.900 -0.287 0.000 1.001 161 G CA -0.169 44.821 45.100 -0.184 0.000 0.668 161 G HN 0.625 nan 8.290 nan 0.000 0.483 162 D N 0.686 120.986 120.400 -0.166 0.000 2.443 162 D HA 0.353 4.993 4.640 -0.001 0.000 0.239 162 D C 0.212 176.409 176.300 -0.171 0.000 1.136 162 D CA 0.362 54.291 54.000 -0.119 0.000 0.879 162 D CB 0.294 41.081 40.800 -0.021 0.000 1.195 162 D HN 0.306 nan 8.370 nan 0.000 0.443 163 Y N 0.402 120.705 120.300 0.005 0.000 2.319 163 Y HA 0.225 4.775 4.550 -0.001 0.000 0.328 163 Y C 1.350 177.252 175.900 0.004 0.000 1.133 163 Y CA -0.187 57.915 58.100 0.003 0.000 1.265 163 Y CB 0.936 39.398 38.460 0.003 0.000 1.218 163 Y HN 0.150 nan 8.280 nan 0.000 0.508 164 T N -0.377 114.267 114.554 0.149 0.000 2.893 164 T HA 0.789 5.139 4.350 -0.001 0.000 0.291 164 T C -1.215 173.531 174.700 0.077 0.000 1.028 164 T CA -0.885 61.266 62.100 0.086 0.000 0.995 164 T CB 1.484 70.378 68.868 0.043 0.000 1.051 164 T HN 0.313 nan 8.240 nan 0.000 0.470 165 V N 1.620 121.567 119.914 0.055 0.000 2.531 165 V HA 0.769 4.889 4.120 -0.001 0.000 0.301 165 V C 0.187 176.300 176.094 0.031 0.000 1.034 165 V CA -0.944 61.380 62.300 0.041 0.000 0.865 165 V CB 1.350 33.194 31.823 0.034 0.000 0.995 165 V HN 1.335 nan 8.190 nan 0.000 0.424 166 A N 6.385 129.221 122.820 0.026 0.000 2.305 166 A HA 0.932 5.252 4.320 -0.001 0.000 0.322 166 A C -0.697 176.900 177.584 0.021 0.000 1.187 166 A CA -0.460 51.590 52.037 0.021 0.000 0.825 166 A CB 0.591 19.599 19.000 0.014 0.000 1.164 166 A HN 0.778 nan 8.150 nan 0.000 0.498 167 I N 1.924 122.506 120.570 0.020 0.000 2.478 167 I HA 0.655 4.824 4.170 -0.001 0.000 0.287 167 I C 0.491 176.619 176.117 0.017 0.000 1.042 167 I CA -0.250 61.062 61.300 0.020 0.000 1.067 167 I CB 2.232 40.243 38.000 0.019 0.000 1.233 167 I HN 0.844 nan 8.210 nan 0.000 0.431 168 G N 3.726 112.537 108.800 0.017 0.000 2.650 168 G HA2 0.254 4.213 3.960 -0.001 0.000 0.310 168 G HA3 0.254 4.213 3.960 -0.001 0.000 0.310 168 G C -1.752 173.156 174.900 0.014 0.000 1.270 168 G CA -0.378 44.729 45.100 0.011 0.000 0.810 168 G HN 0.431 nan 8.290 nan 0.000 0.493 169 N N 1.196 119.899 118.700 0.004 0.000 2.841 169 N HA 0.463 5.202 4.740 -0.001 0.000 0.257 169 N C -2.901 172.603 175.510 -0.009 0.000 1.396 169 N CA -1.597 51.460 53.050 0.012 0.000 0.823 169 N CB 1.649 40.144 38.487 0.014 0.000 1.162 169 N HN 0.032 nan 8.380 nan 0.000 0.503 170 P HA 0.213 nan 4.420 nan 0.000 0.271 170 P C -0.342 177.021 177.300 0.106 0.000 1.233 170 P CA 0.009 63.083 63.100 -0.042 0.000 0.764 170 P CB -0.156 31.614 31.700 0.117 0.000 0.825 171 F N 2.042 122.008 119.950 0.026 0.000 3.084 171 F HA -0.239 4.288 4.527 -0.001 0.000 0.286 171 F C 1.543 177.358 175.800 0.024 0.000 0.855 171 F CA 1.095 59.110 58.000 0.025 0.000 1.091 171 F CB -2.607 36.405 39.000 0.020 0.000 1.177 171 F HN 0.645 nan 8.300 nan 0.000 0.542 172 G N -0.296 108.571 108.800 0.112 0.000 2.168 172 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.257 172 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.257 172 G C 0.964 175.919 174.900 0.092 0.000 0.997 172 G CA 0.382 45.533 45.100 0.085 0.000 0.708 172 G HN 0.567 nan 8.290 nan 0.000 0.520 173 L N -0.371 120.922 121.223 0.118 0.000 2.131 173 L HA 0.312 4.651 4.340 -0.001 0.000 0.210 173 L C 1.806 178.714 176.870 0.064 0.000 1.092 173 L CA 1.488 56.384 54.840 0.094 0.000 0.759 173 L CB -0.429 41.697 42.059 0.111 0.000 0.903 173 L HN 1.177 nan 8.230 nan 0.000 0.435 174 G N -0.566 108.269 108.800 0.058 0.000 2.354 174 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.582 174 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.582 174 G C -0.914 174.011 174.900 0.041 0.000 1.316 174 G CA -0.793 44.333 45.100 0.044 0.000 0.995 174 G HN 0.023 nan 8.290 nan 0.000 0.573 175 E N 0.117 120.337 120.200 0.034 0.000 2.491 175 E HA 0.361 4.710 4.350 -0.001 0.000 0.250 175 E C -0.204 176.415 176.600 0.032 0.000 1.061 175 E CA 0.661 57.079 56.400 0.030 0.000 0.942 175 E CB 0.109 29.825 29.700 0.027 0.000 0.957 175 E HN 0.421 nan 8.360 nan 0.000 0.480 176 T N 3.767 118.341 114.554 0.033 0.000 2.824 176 T HA 0.360 4.709 4.350 -0.001 0.000 0.282 176 T C -0.755 173.963 174.700 0.030 0.000 0.993 176 T CA -0.642 61.480 62.100 0.036 0.000 0.967 176 T CB 1.477 70.375 68.868 0.050 0.000 0.960 176 T HN 0.185 nan 8.240 nan 0.000 0.441 177 V N 4.078 124.008 119.914 0.027 0.000 2.435 177 V HA 0.763 4.882 4.120 -0.001 0.000 0.290 177 V C 0.468 176.576 176.094 0.024 0.000 1.030 177 V CA -0.648 61.666 62.300 0.023 0.000 0.881 177 V CB 1.657 33.492 31.823 0.019 0.000 0.983 177 V HN 1.127 nan 8.190 nan 0.000 0.445 178 T N 0.923 115.492 114.554 0.024 0.000 2.901 178 T HA 0.828 5.177 4.350 -0.001 0.000 0.293 178 T C -0.339 174.377 174.700 0.026 0.000 1.084 178 T CA -0.488 61.626 62.100 0.024 0.000 1.008 178 T CB 2.072 70.955 68.868 0.024 0.000 1.170 178 T HN 0.809 nan 8.240 nan 0.000 0.509 179 S N -0.553 115.165 115.700 0.030 0.000 2.709 179 S HA 1.037 5.507 4.470 -0.001 0.000 0.302 179 S C 0.131 174.762 174.600 0.051 0.000 1.127 179 S CA -0.275 57.951 58.200 0.044 0.000 0.905 179 S CB 1.527 64.755 63.200 0.047 0.000 1.151 179 S HN 1.890 nan 8.310 nan 0.000 0.510 180 G N -0.200 108.649 108.800 0.081 0.000 2.356 180 G HA2 0.479 4.439 3.960 -0.001 0.000 0.281 180 G HA3 0.479 4.439 3.960 -0.001 0.000 0.281 180 G C -1.503 173.443 174.900 0.076 0.000 1.246 180 G CA -0.277 44.863 45.100 0.067 0.000 0.889 180 G HN 1.594 nan 8.290 nan 0.000 0.486 181 I N -2.371 118.191 120.570 -0.012 0.000 3.174 181 I HA 0.802 4.972 4.170 -0.001 0.000 0.313 181 I C -0.630 175.440 176.117 -0.077 0.000 1.155 181 I CA -1.427 59.816 61.300 -0.096 0.000 0.977 181 I CB 2.055 39.918 38.000 -0.229 0.000 1.248 181 I HN 0.347 nan 8.210 nan 0.000 0.453 182 V N 3.463 123.325 119.914 -0.087 0.000 2.390 182 V HA 0.064 4.183 4.120 -0.001 0.000 0.260 182 V C 1.203 177.263 176.094 -0.057 0.000 1.043 182 V CA 0.398 62.666 62.300 -0.053 0.000 1.047 182 V CB 0.114 31.916 31.823 -0.035 0.000 1.066 182 V HN 0.913 nan 8.190 nan 0.000 0.481 183 S N 3.370 119.038 115.700 -0.053 0.000 2.355 183 S HA 0.191 4.661 4.470 -0.001 0.000 0.222 183 S C 0.770 175.361 174.600 -0.017 0.000 1.031 183 S CA 1.203 59.375 58.200 -0.047 0.000 0.993 183 S CB 0.105 63.265 63.200 -0.068 0.000 0.859 183 S HN 1.015 nan 8.310 nan 0.000 0.453 184 A N -0.394 122.432 122.820 0.009 0.000 2.586 184 A HA 0.739 5.059 4.320 -0.001 0.000 0.290 184 A C -1.824 175.803 177.584 0.073 0.000 1.086 184 A CA -0.758 51.304 52.037 0.042 0.000 0.665 184 A CB 0.698 19.736 19.000 0.063 0.000 1.279 184 A HN 0.197 nan 8.150 nan 0.000 0.423 185 L N -0.074 121.195 121.223 0.077 0.000 2.333 185 L HA 0.697 5.036 4.340 -0.001 0.000 0.263 185 L C 1.248 178.176 176.870 0.098 0.000 1.014 185 L CA -0.043 54.850 54.840 0.089 0.000 0.820 185 L CB 2.044 44.137 42.059 0.057 0.000 1.352 185 L HN 1.774 nan 8.230 nan 0.000 0.421 186 G N 0.748 109.608 108.800 0.100 0.000 2.179 186 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.257 186 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.257 186 G C 0.242 175.200 174.900 0.097 0.000 1.010 186 G CA -0.216 44.929 45.100 0.074 0.000 0.736 186 G HN 0.385 nan 8.290 nan 0.000 0.513 187 R N 0.430 121.035 120.500 0.176 0.000 2.543 187 R HA 0.575 4.914 4.340 -0.001 0.000 0.277 187 R C 0.630 177.029 176.300 0.165 0.000 1.074 187 R CA 0.858 57.078 56.100 0.201 0.000 1.076 187 R CB 1.064 31.569 30.300 0.342 0.000 0.993 187 R HN 0.991 nan 8.270 nan 0.000 0.459 188 S N -1.287 114.465 115.700 0.087 0.000 2.611 188 S HA 0.645 5.114 4.470 -0.001 0.000 0.268 188 S C 0.339 174.943 174.600 0.006 0.000 1.156 188 S CA -0.185 58.038 58.200 0.037 0.000 0.817 188 S CB 1.977 65.162 63.200 -0.025 0.000 1.122 188 S HN 0.716 nan 8.310 nan 0.000 0.466 189 G N -0.209 108.585 108.800 -0.010 0.000 2.260 189 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.179 189 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.179 189 G C 0.579 175.456 174.900 -0.038 0.000 1.002 189 G CA -0.008 45.080 45.100 -0.022 0.000 0.677 189 G HN 0.856 nan 8.290 nan 0.000 0.486 190 L N -0.272 120.922 121.223 -0.049 0.000 2.141 190 L HA 0.180 4.519 4.340 -0.001 0.000 0.209 190 L C 0.983 177.831 176.870 -0.038 0.000 1.094 190 L CA 1.307 56.103 54.840 -0.072 0.000 0.763 190 L CB -0.144 41.839 42.059 -0.127 0.000 0.908 190 L HN 0.270 nan 8.230 nan 0.000 0.437 191 N N -0.677 118.012 118.700 -0.020 0.000 2.629 191 N HA 0.280 5.020 4.740 -0.001 0.000 0.277 191 N C 0.279 175.759 175.510 -0.050 0.000 1.188 191 N CA 0.207 53.238 53.050 -0.031 0.000 0.835 191 N CB 1.655 40.128 38.487 -0.023 0.000 1.420 191 N HN -0.009 nan 8.380 nan 0.000 0.542 192 A N 2.459 125.249 122.820 -0.050 0.000 2.131 192 A HA -0.174 4.145 4.320 -0.001 0.000 0.220 192 A C 1.534 179.058 177.584 -0.099 0.000 1.158 192 A CA 1.782 53.783 52.037 -0.060 0.000 0.665 192 A CB -0.277 18.699 19.000 -0.040 0.000 0.795 192 A HN 0.820 nan 8.150 nan 0.000 0.460 193 E N -0.607 119.531 120.200 -0.105 0.000 2.385 193 E HA 0.005 4.355 4.350 -0.001 0.000 0.194 193 E C -0.089 176.367 176.600 -0.241 0.000 1.013 193 E CA -0.176 56.136 56.400 -0.148 0.000 0.866 193 E CB -0.167 29.478 29.700 -0.093 0.000 0.832 193 E HN 0.412 nan 8.360 nan 0.000 0.500 194 N N 0.936 119.523 118.700 -0.188 0.000 2.515 194 N HA 0.106 4.845 4.740 -0.001 0.000 0.279 194 N C -1.182 174.156 175.510 -0.287 0.000 1.164 194 N CA -0.295 52.645 53.050 -0.185 0.000 0.982 194 N CB 0.425 38.878 38.487 -0.056 0.000 1.170 194 N HN 0.105 nan 8.380 nan 0.000 0.474 195 Y N 0.558 120.804 120.300 -0.090 0.000 2.585 195 Y HA 0.125 4.674 4.550 -0.001 0.000 0.354 195 Y C 0.551 176.313 175.900 -0.231 0.000 1.024 195 Y CA -0.323 57.699 58.100 -0.131 0.000 1.321 195 Y CB -0.070 38.325 38.460 -0.108 0.000 1.151 195 Y HN 0.343 nan 8.280 nan 0.000 0.525 196 E N 1.207 121.284 120.200 -0.205 0.000 2.218 196 E HA 0.316 4.666 4.350 -0.001 0.000 0.263 196 E C -1.110 175.231 176.600 -0.431 0.000 0.879 196 E CA -0.991 55.077 56.400 -0.553 0.000 0.762 196 E CB 1.601 30.882 29.700 -0.697 0.000 1.166 196 E HN 0.357 nan 8.360 nan 0.000 0.415 197 N N 3.500 121.927 118.700 -0.455 0.000 2.599 197 N HA 0.176 4.916 4.740 -0.001 0.000 0.309 197 N C -1.518 173.937 175.510 -0.092 0.000 1.743 197 N CA -0.565 52.369 53.050 -0.194 0.000 0.918 197 N CB 0.043 38.467 38.487 -0.105 0.000 1.339 197 N HN 0.319 nan 8.380 nan 0.000 0.493 198 F N 0.800 120.784 119.950 0.057 0.000 2.595 198 F HA 0.152 4.679 4.527 -0.001 0.000 0.359 198 F C 1.254 177.141 175.800 0.144 0.000 1.147 198 F CA 0.070 58.142 58.000 0.120 0.000 1.341 198 F CB 0.384 39.487 39.000 0.172 0.000 1.104 198 F HN 0.039 nan 8.300 nan 0.000 0.603 199 I N 2.394 123.190 120.570 0.377 0.000 2.365 199 I HA 0.226 4.395 4.170 -0.001 0.000 0.291 199 I C -0.115 176.130 176.117 0.213 0.000 1.004 199 I CA -0.592 60.845 61.300 0.228 0.000 1.311 199 I CB 1.263 39.349 38.000 0.144 0.000 1.401 199 I HN 0.531 nan 8.210 nan 0.000 0.491 200 Q N 4.433 124.302 119.800 0.116 0.000 2.282 200 Q HA 0.511 4.850 4.340 -0.001 0.000 0.260 200 Q C -0.931 175.006 176.000 -0.106 0.000 0.964 200 Q CA -0.402 55.360 55.803 -0.068 0.000 0.880 200 Q CB 1.981 30.690 28.738 -0.048 0.000 1.286 200 Q HN 0.703 nan 8.270 nan 0.000 0.445 201 T N 1.240 115.682 114.554 -0.188 0.000 2.916 201 T HA 0.175 4.525 4.350 -0.001 0.000 0.305 201 T C -0.441 174.172 174.700 -0.145 0.000 1.119 201 T CA -0.603 61.424 62.100 -0.123 0.000 1.008 201 T CB 1.000 69.825 68.868 -0.070 0.000 1.129 201 T HN 0.783 nan 8.240 nan 0.000 0.480 202 D N 2.142 122.485 120.400 -0.095 0.000 2.340 202 D HA 0.216 4.856 4.640 -0.001 0.000 0.220 202 D C 0.853 177.123 176.300 -0.050 0.000 1.039 202 D CA -0.225 53.728 54.000 -0.079 0.000 0.866 202 D CB -0.309 40.459 40.800 -0.055 0.000 0.913 202 D HN 0.614 nan 8.370 nan 0.000 0.523 203 A N 0.605 123.400 122.820 -0.042 0.000 2.520 203 A HA 0.477 4.797 4.320 -0.001 0.000 0.245 203 A C 0.781 178.352 177.584 -0.023 0.000 1.072 203 A CA -0.022 52.005 52.037 -0.017 0.000 0.761 203 A CB 0.009 19.007 19.000 -0.004 0.000 1.004 203 A HN 0.398 nan 8.150 nan 0.000 0.499 204 A N 2.904 125.722 122.820 -0.004 0.000 2.545 204 A HA 0.458 4.777 4.320 -0.001 0.000 0.253 204 A C 0.027 177.614 177.584 0.004 0.000 1.074 204 A CA 0.554 52.594 52.037 0.004 0.000 0.760 204 A CB -0.524 18.490 19.000 0.023 0.000 1.005 204 A HN 0.760 nan 8.150 nan 0.000 0.506 205 I N 3.627 124.195 120.570 -0.004 0.000 2.571 205 I HA 0.330 4.499 4.170 -0.001 0.000 0.289 205 I C -0.440 175.672 176.117 -0.008 0.000 1.115 205 I CA -0.534 60.759 61.300 -0.011 0.000 1.045 205 I CB 2.104 40.085 38.000 -0.032 0.000 1.238 205 I HN 0.738 nan 8.210 nan 0.000 0.424 206 N N 3.537 122.220 118.700 -0.029 0.000 3.167 206 N HA 0.400 5.139 4.740 -0.001 0.000 0.323 206 N C -0.714 174.650 175.510 -0.243 0.000 1.478 206 N CA -1.010 51.990 53.050 -0.084 0.000 0.753 206 N CB 1.598 40.104 38.487 0.031 0.000 1.721 206 N HN 0.462 nan 8.380 nan 0.000 0.618 207 R N 0.185 120.420 120.500 -0.442 0.000 2.513 207 R HA 0.132 4.471 4.340 -0.001 0.000 0.333 207 R C 0.783 176.782 176.300 -0.502 0.000 0.925 207 R CA 1.551 57.376 56.100 -0.458 0.000 1.072 207 R CB -0.767 29.225 30.300 -0.513 0.000 0.914 207 R HN 0.851 nan 8.270 nan 0.000 0.408 208 G N 3.386 112.048 108.800 -0.230 0.000 2.617 208 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.197 208 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.197 208 G C 0.709 175.561 174.900 -0.080 0.000 1.017 208 G CA 0.123 45.133 45.100 -0.151 0.000 0.713 208 G HN 0.640 nan 8.290 nan 0.000 0.481 209 N N 1.485 120.138 118.700 -0.077 0.000 2.381 209 N HA 0.365 5.105 4.740 -0.001 0.000 0.182 209 N C 1.395 176.903 175.510 -0.005 0.000 1.025 209 N CA 0.727 53.759 53.050 -0.030 0.000 0.888 209 N CB -0.020 38.453 38.487 -0.024 0.000 0.965 209 N HN 0.842 nan 8.380 nan 0.000 0.438 210 A N 0.119 122.942 122.820 0.005 0.000 2.567 210 A HA 0.372 4.692 4.320 -0.001 0.000 0.240 210 A C 1.564 179.141 177.584 -0.013 0.000 1.053 210 A CA 0.701 52.758 52.037 0.033 0.000 0.755 210 A CB -0.546 18.501 19.000 0.078 0.000 0.978 210 A HN 0.468 nan 8.150 nan 0.000 0.507 211 G N 1.596 110.399 108.800 0.006 0.000 2.205 211 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.261 211 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.261 211 G C 1.050 175.956 174.900 0.011 0.000 0.980 211 G CA 0.644 45.742 45.100 -0.004 0.000 0.632 211 G HN 2.019 nan 8.290 nan 0.000 0.533 212 G N 0.013 108.823 108.800 0.016 0.000 2.684 212 G HA2 0.644 4.603 3.960 -0.001 0.000 0.255 212 G HA3 0.644 4.603 3.960 -0.001 0.000 0.255 212 G C 0.403 175.319 174.900 0.026 0.000 1.219 212 G CA 0.568 45.678 45.100 0.018 0.000 0.901 212 G HN 1.577 nan 8.290 nan 0.000 0.548 213 A N -0.587 122.248 122.820 0.024 0.000 2.301 213 A HA 0.620 4.940 4.320 -0.001 0.000 0.312 213 A C -0.733 176.869 177.584 0.030 0.000 1.182 213 A CA -0.466 51.587 52.037 0.028 0.000 0.826 213 A CB 1.330 20.343 19.000 0.023 0.000 1.134 213 A HN 0.781 nan 8.150 nan 0.000 0.501 214 L N 4.030 125.275 121.223 0.036 0.000 2.316 214 L HA 0.643 4.983 4.340 -0.001 0.000 0.280 214 L C -0.267 176.624 176.870 0.036 0.000 1.006 214 L CA -0.315 54.547 54.840 0.036 0.000 0.836 214 L CB 1.508 43.592 42.059 0.043 0.000 1.221 214 L HN 0.751 nan 8.230 nan 0.000 0.418 215 V N 2.360 122.295 119.914 0.034 0.000 3.046 215 V HA 0.770 4.890 4.120 -0.001 0.000 0.316 215 V C -0.330 175.788 176.094 0.041 0.000 1.104 215 V CA -0.769 61.551 62.300 0.034 0.000 1.006 215 V CB 1.841 33.681 31.823 0.028 0.000 1.058 215 V HN 0.871 nan 8.190 nan 0.000 0.440 216 N N 1.734 120.459 118.700 0.041 0.000 2.418 216 N HA 0.348 5.088 4.740 -0.001 0.000 0.283 216 N C 0.688 176.226 175.510 0.046 0.000 1.267 216 N CA -0.713 52.368 53.050 0.052 0.000 0.975 216 N CB 0.241 38.758 38.487 0.049 0.000 1.167 216 N HN 0.699 nan 8.380 nan 0.000 0.581 217 L N -1.172 120.083 121.223 0.053 0.000 2.450 217 L HA -0.051 4.288 4.340 -0.001 0.000 0.224 217 L C 0.763 177.644 176.870 0.018 0.000 1.149 217 L CA 0.865 55.724 54.840 0.030 0.000 0.816 217 L CB -0.581 41.492 42.059 0.024 0.000 0.932 217 L HN 0.502 nan 8.230 nan 0.000 0.449 218 N N 0.158 118.872 118.700 0.022 0.000 2.322 218 N HA 0.071 4.810 4.740 -0.001 0.000 0.194 218 N C 1.348 176.867 175.510 0.015 0.000 1.126 218 N CA 0.860 53.919 53.050 0.016 0.000 0.845 218 N CB 0.780 39.277 38.487 0.017 0.000 0.976 218 N HN 0.319 nan 8.380 nan 0.000 0.475 219 G N 0.810 109.620 108.800 0.018 0.000 2.143 219 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.248 219 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.248 219 G C -0.249 174.662 174.900 0.017 0.000 0.991 219 G CA -0.026 45.084 45.100 0.016 0.000 0.689 219 G HN 0.417 nan 8.290 nan 0.000 0.522 220 E N -0.469 119.743 120.200 0.019 0.000 2.249 220 E HA 0.493 4.842 4.350 -0.001 0.000 0.280 220 E C 0.266 176.879 176.600 0.022 0.000 1.016 220 E CA -1.007 55.404 56.400 0.019 0.000 0.830 220 E CB 1.613 31.324 29.700 0.018 0.000 1.081 220 E HN 0.200 nan 8.360 nan 0.000 0.395 221 L N 5.108 126.343 121.223 0.020 0.000 2.477 221 L HA 0.040 4.379 4.340 -0.001 0.000 0.272 221 L C 0.463 177.348 176.870 0.026 0.000 1.157 221 L CA 0.779 55.633 54.840 0.024 0.000 0.889 221 L CB 0.186 42.258 42.059 0.021 0.000 1.158 221 L HN 0.674 nan 8.230 nan 0.000 0.473 222 I N 1.629 122.218 120.570 0.032 0.000 4.035 222 I HA 0.609 4.778 4.170 -0.001 0.000 0.321 222 I C 0.693 176.837 176.117 0.045 0.000 1.289 222 I CA 0.311 61.632 61.300 0.035 0.000 1.236 222 I CB 0.267 38.289 38.000 0.037 0.000 1.076 222 I HN 0.619 nan 8.210 nan 0.000 0.418 223 G N 1.472 110.302 108.800 0.051 0.000 2.523 223 G HA2 0.487 4.447 3.960 -0.001 0.000 0.291 223 G HA3 0.487 4.447 3.960 -0.001 0.000 0.291 223 G C -1.770 173.172 174.900 0.070 0.000 1.450 223 G CA -0.498 44.643 45.100 0.069 0.000 0.790 223 G HN -0.018 nan 8.290 nan 0.000 0.496 224 I N 2.065 122.689 120.570 0.091 0.000 2.382 224 I HA 0.254 4.424 4.170 -0.001 0.000 0.285 224 I C -0.489 175.698 176.117 0.116 0.000 1.007 224 I CA -1.305 60.047 61.300 0.087 0.000 1.142 224 I CB 1.044 39.091 38.000 0.079 0.000 1.289 224 I HN 0.337 nan 8.210 nan 0.000 0.453 225 N N 5.189 123.941 118.700 0.086 0.000 2.365 225 N HA 0.035 4.775 4.740 -0.001 0.000 0.265 225 N C 0.841 176.416 175.510 0.108 0.000 1.288 225 N CA 0.343 53.442 53.050 0.081 0.000 0.869 225 N CB 0.960 39.472 38.487 0.042 0.000 1.071 225 N HN 0.544 nan 8.380 nan 0.000 0.480 226 T N 0.015 114.645 114.554 0.128 0.000 3.138 226 T HA 0.362 4.711 4.350 -0.001 0.000 0.245 226 T C 0.503 175.263 174.700 0.101 0.000 0.982 226 T CA 0.412 62.622 62.100 0.183 0.000 1.134 226 T CB 0.378 69.413 68.868 0.278 0.000 1.032 226 T HN 0.631 nan 8.240 nan 0.000 0.442 227 A N 1.110 123.922 122.820 -0.013 0.000 2.569 227 A HA 0.865 5.185 4.320 -0.001 0.000 0.290 227 A C -1.581 176.045 177.584 0.069 0.000 1.136 227 A CA -0.980 51.041 52.037 -0.027 0.000 0.710 227 A CB 1.072 19.992 19.000 -0.133 0.000 1.303 227 A HN 0.527 nan 8.150 nan 0.000 0.413 228 I N -1.805 118.804 120.570 0.065 0.000 2.934 228 I HA 0.786 4.956 4.170 -0.001 0.000 0.306 228 I C -1.465 174.725 176.117 0.122 0.000 1.110 228 I CA -1.125 60.212 61.300 0.062 0.000 1.019 228 I CB 2.023 40.015 38.000 -0.014 0.000 1.227 228 I HN 0.521 nan 8.210 nan 0.000 0.434 229 L N 4.662 125.962 121.223 0.128 0.000 2.272 229 L HA 0.814 5.153 4.340 -0.001 0.000 0.284 229 L C -0.497 176.401 176.870 0.046 0.000 1.045 229 L CA -0.184 54.730 54.840 0.123 0.000 0.842 229 L CB 0.311 42.484 42.059 0.190 0.000 1.224 229 L HN 0.827 nan 8.230 nan 0.000 0.430 230 A N 5.563 128.404 122.820 0.035 0.000 2.414 230 A HA 0.731 5.050 4.320 -0.001 0.000 0.286 230 A C -2.160 175.438 177.584 0.023 0.000 1.073 230 A CA -0.815 51.237 52.037 0.025 0.000 0.727 230 A CB 1.042 20.057 19.000 0.026 0.000 1.215 230 A HN 0.609 nan 8.150 nan 0.000 0.430 231 P HA -0.000 nan 4.420 nan 0.000 0.233 231 P C 0.327 177.638 177.300 0.019 0.000 1.167 231 P CA 1.263 64.373 63.100 0.017 0.000 0.770 231 P CB 0.352 32.061 31.700 0.015 0.000 0.837 232 D N -2.851 117.564 120.400 0.024 0.000 2.503 232 D HA 0.139 4.778 4.640 -0.001 0.000 0.218 232 D C 1.104 177.429 176.300 0.042 0.000 1.183 232 D CA 0.193 54.210 54.000 0.028 0.000 0.827 232 D CB -0.326 40.488 40.800 0.024 0.000 1.034 232 D HN 0.106 nan 8.370 nan 0.000 0.510 233 G N 0.044 108.871 108.800 0.045 0.000 2.160 233 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.251 233 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.251 233 G C 0.461 175.423 174.900 0.103 0.000 1.008 233 G CA 0.032 45.171 45.100 0.065 0.000 0.724 233 G HN 0.837 nan 8.290 nan 0.000 0.514 234 G N -0.701 108.148 108.800 0.083 0.000 2.617 234 G HA2 0.567 4.527 3.960 -0.001 0.000 0.306 234 G HA3 0.567 4.527 3.960 -0.001 0.000 0.306 234 G C -0.402 174.537 174.900 0.064 0.000 1.360 234 G CA -0.100 45.061 45.100 0.102 0.000 0.983 234 G HN 0.646 nan 8.290 nan 0.000 0.496 235 N N 0.463 119.204 118.700 0.068 0.000 2.356 235 N HA 0.101 4.840 4.740 -0.001 0.000 0.252 235 N C 1.145 176.663 175.510 0.014 0.000 1.241 235 N CA 0.265 53.332 53.050 0.028 0.000 0.861 235 N CB 0.320 38.822 38.487 0.026 0.000 1.075 235 N HN 0.518 nan 8.380 nan 0.000 0.461 236 I N -0.087 120.479 120.570 -0.007 0.000 3.966 236 I HA 0.509 4.679 4.170 -0.001 0.000 0.324 236 I C 0.880 176.980 176.117 -0.029 0.000 1.517 236 I CA -0.350 60.943 61.300 -0.010 0.000 1.117 236 I CB 0.200 38.197 38.000 -0.004 0.000 1.190 236 I HN 0.693 nan 8.210 nan 0.000 0.466 237 G N 2.225 110.997 108.800 -0.046 0.000 2.159 237 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.227 237 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.227 237 G C -0.111 174.717 174.900 -0.119 0.000 0.986 237 G CA 0.032 45.093 45.100 -0.065 0.000 0.651 237 G HN 0.433 nan 8.290 nan 0.000 0.523 238 I N 1.570 122.047 120.570 -0.156 0.000 2.437 238 I HA 0.575 4.745 4.170 -0.001 0.000 0.279 238 I C 0.634 176.475 176.117 -0.459 0.000 1.028 238 I CA -0.405 60.715 61.300 -0.300 0.000 1.142 238 I CB 1.371 39.243 38.000 -0.214 0.000 1.266 238 I HN 0.175 nan 8.210 nan 0.000 0.461 239 G N 5.179 113.634 108.800 -0.575 0.000 2.481 239 G HA2 0.796 4.756 3.960 -0.001 0.000 0.315 239 G HA3 0.796 4.756 3.960 -0.001 0.000 0.315 239 G C -1.361 173.061 174.900 -0.796 0.000 1.231 239 G CA -0.381 44.394 45.100 -0.541 0.000 0.968 239 G HN 0.290 nan 8.290 nan 0.000 0.482 240 F N 0.232 120.063 119.950 -0.197 0.000 2.551 240 F HA 0.754 5.281 4.527 -0.001 0.000 0.316 240 F C 0.435 176.149 175.800 -0.142 0.000 1.089 240 F CA -0.793 57.042 58.000 -0.275 0.000 0.915 240 F CB 2.799 41.310 39.000 -0.816 0.000 1.186 240 F HN 0.676 nan 8.300 nan 0.000 0.456 241 A N 2.850 125.821 122.820 0.251 0.000 2.435 241 A HA 0.803 5.122 4.320 -0.001 0.000 0.304 241 A C -0.950 176.883 177.584 0.415 0.000 1.064 241 A CA -0.745 51.455 52.037 0.271 0.000 0.727 241 A CB 1.013 20.102 19.000 0.147 0.000 1.284 241 A HN 0.739 nan 8.150 nan 0.000 0.415 242 I N 2.699 123.471 120.570 0.338 0.000 2.452 242 I HA 0.205 4.374 4.170 -0.001 0.000 0.287 242 I C -2.079 174.110 176.117 0.120 0.000 1.079 242 I CA -1.657 59.771 61.300 0.213 0.000 1.387 242 I CB 1.060 39.151 38.000 0.151 0.000 1.404 242 I HN 0.371 nan 8.210 nan 0.000 0.522 243 P HA -0.068 nan 4.420 nan 0.000 0.264 243 P C 0.768 178.090 177.300 0.035 0.000 1.179 243 P CA 0.195 63.327 63.100 0.054 0.000 0.763 243 P CB 0.555 32.273 31.700 0.029 0.000 0.806 244 S N 2.199 117.918 115.700 0.032 0.000 2.383 244 S HA -0.238 4.232 4.470 -0.001 0.000 0.229 244 S C 1.526 176.130 174.600 0.007 0.000 1.030 244 S CA 1.592 59.805 58.200 0.021 0.000 1.002 244 S CB -1.057 62.155 63.200 0.021 0.000 0.829 244 S HN 0.352 nan 8.310 nan 0.000 0.467 245 N N 1.946 120.648 118.700 0.003 0.000 2.104 245 N HA 0.028 4.768 4.740 -0.001 0.000 0.190 245 N C 1.753 177.251 175.510 -0.020 0.000 1.024 245 N CA 1.737 54.782 53.050 -0.009 0.000 0.853 245 N CB -0.603 37.877 38.487 -0.010 0.000 1.008 245 N HN 0.489 nan 8.380 nan 0.000 0.424 246 M N -0.099 119.488 119.600 -0.022 0.000 2.159 246 M HA -0.102 4.378 4.480 -0.001 0.000 0.263 246 M C 1.856 178.137 176.300 -0.032 0.000 1.063 246 M CA 0.957 56.235 55.300 -0.037 0.000 1.110 246 M CB -0.102 32.473 32.600 -0.042 0.000 1.374 246 M HN -0.050 nan 8.290 nan 0.000 0.411 247 V N 0.290 120.195 119.914 -0.014 0.000 2.307 247 V HA -0.274 3.846 4.120 -0.001 0.000 0.245 247 V C 2.288 178.367 176.094 -0.025 0.000 1.045 247 V CA 1.799 64.092 62.300 -0.013 0.000 1.024 247 V CB -0.785 31.040 31.823 0.004 0.000 0.651 247 V HN 0.456 nan 8.190 nan 0.000 0.449 248 K N 0.388 120.775 120.400 -0.021 0.000 2.034 248 K HA -0.277 4.043 4.320 -0.001 0.000 0.214 248 K C 2.055 178.633 176.600 -0.037 0.000 1.051 248 K CA 2.241 58.512 56.287 -0.027 0.000 0.931 248 K CB -0.201 32.288 32.500 -0.020 0.000 0.715 248 K HN 0.460 nan 8.250 nan 0.000 0.446 249 N N 0.625 119.302 118.700 -0.038 0.000 2.142 249 N HA -0.123 4.617 4.740 -0.001 0.000 0.186 249 N C 1.872 177.354 175.510 -0.046 0.000 1.023 249 N CA 1.080 54.105 53.050 -0.042 0.000 0.852 249 N CB -0.240 38.216 38.487 -0.051 0.000 0.998 249 N HN 0.202 nan 8.380 nan 0.000 0.424 250 L N 0.654 121.846 121.223 -0.051 0.000 2.072 250 L HA -0.097 4.243 4.340 -0.001 0.000 0.205 250 L C 2.443 179.281 176.870 -0.053 0.000 1.079 250 L CA 1.431 56.240 54.840 -0.051 0.000 0.752 250 L CB -0.891 41.138 42.059 -0.050 0.000 0.906 250 L HN 0.317 nan 8.230 nan 0.000 0.436 251 T N -3.054 111.461 114.554 -0.065 0.000 2.737 251 T HA -0.168 4.182 4.350 -0.001 0.000 0.265 251 T C 2.094 176.710 174.700 -0.140 0.000 1.038 251 T CA 1.209 63.247 62.100 -0.104 0.000 1.144 251 T CB -0.706 68.099 68.868 -0.105 0.000 0.866 251 T HN 0.419 nan 8.240 nan 0.000 0.434 252 S N 2.092 117.726 115.700 -0.110 0.000 2.402 252 S HA -0.277 4.192 4.470 -0.001 0.000 0.233 252 S C 2.202 176.723 174.600 -0.131 0.000 1.030 252 S CA 1.322 59.450 58.200 -0.121 0.000 1.003 252 S CB -0.784 62.371 63.200 -0.076 0.000 0.813 252 S HN 0.703 nan 8.310 nan 0.000 0.477 253 Q N 0.654 120.418 119.800 -0.059 0.000 2.049 253 Q HA 0.114 4.453 4.340 -0.001 0.000 0.198 253 Q C 2.444 178.428 176.000 -0.026 0.000 0.971 253 Q CA 1.447 57.270 55.803 0.034 0.000 0.833 253 Q CB -0.363 28.467 28.738 0.153 0.000 0.896 253 Q HN 0.597 nan 8.270 nan 0.000 0.434 254 M N 0.331 119.899 119.600 -0.053 0.000 2.202 254 M HA -0.169 4.311 4.480 -0.001 0.000 0.262 254 M C 2.216 178.423 176.300 -0.156 0.000 1.063 254 M CA 1.059 56.316 55.300 -0.072 0.000 1.097 254 M CB -0.353 32.197 32.600 -0.083 0.000 1.382 254 M HN 0.053 nan 8.290 nan 0.000 0.413 255 V N 0.475 120.233 119.914 -0.261 0.000 2.407 255 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 255 V C 2.000 177.945 176.094 -0.248 0.000 1.055 255 V CA 1.957 64.051 62.300 -0.344 0.000 1.049 255 V CB -0.674 30.893 31.823 -0.425 0.000 0.662 255 V HN 0.511 nan 8.190 nan 0.000 0.455 256 E N -1.374 118.616 120.200 -0.350 0.000 2.127 256 E HA -0.037 4.313 4.350 -0.001 0.000 0.191 256 E C 1.873 178.198 176.600 -0.458 0.000 0.964 256 E CA 0.972 57.065 56.400 -0.512 0.000 0.832 256 E CB 0.014 29.171 29.700 -0.905 0.000 0.790 256 E HN 0.724 nan 8.360 nan 0.000 0.465 257 Y N -0.915 119.360 120.300 -0.040 0.000 2.462 257 Y HA 0.335 4.884 4.550 -0.001 0.000 0.253 257 Y C 1.692 177.575 175.900 -0.027 0.000 1.095 257 Y CA 0.271 58.352 58.100 -0.031 0.000 1.283 257 Y CB 0.783 39.223 38.460 -0.034 0.000 1.138 257 Y HN 0.139 nan 8.280 nan 0.000 0.522 258 G N 0.551 109.393 108.800 0.070 0.000 2.205 258 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.261 258 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.261 258 G C 0.192 175.122 174.900 0.051 0.000 0.980 258 G CA 0.670 45.795 45.100 0.041 0.000 0.632 258 G HN 0.527 nan 8.290 nan 0.000 0.533 259 Q N -1.688 118.165 119.800 0.089 0.000 2.814 259 Q HA 0.709 5.049 4.340 -0.001 0.000 0.322 259 Q C -0.625 175.418 176.000 0.072 0.000 0.888 259 Q CA -0.593 55.243 55.803 0.056 0.000 0.768 259 Q CB 1.802 30.558 28.738 0.031 0.000 1.443 259 Q HN 1.162 nan 8.270 nan 0.000 0.497 260 V N -2.507 117.416 119.914 0.015 0.000 2.370 260 V HA 0.844 4.963 4.120 -0.001 0.000 0.283 260 V C -0.271 175.779 176.094 -0.073 0.000 1.023 260 V CA -0.259 62.033 62.300 -0.013 0.000 0.857 260 V CB 0.293 32.091 31.823 -0.043 0.000 0.985 260 V HN 0.924 nan 8.190 nan 0.000 0.443 261 K N 3.278 123.600 120.400 -0.129 0.000 2.228 261 K HA 0.436 4.755 4.320 -0.001 0.000 0.284 261 K C 0.150 176.672 176.600 -0.130 0.000 1.088 261 K CA -0.412 55.768 56.287 -0.178 0.000 0.941 261 K CB 0.070 32.389 32.500 -0.302 0.000 1.158 261 K HN 0.881 nan 8.250 nan 0.000 0.438 262 R N 1.609 122.045 120.500 -0.106 0.000 2.316 262 R HA 0.424 4.763 4.340 -0.001 0.000 0.314 262 R C 0.596 176.846 176.300 -0.084 0.000 1.069 262 R CA 0.788 56.826 56.100 -0.103 0.000 0.959 262 R CB 0.734 30.989 30.300 -0.075 0.000 0.987 262 R HN 0.760 nan 8.270 nan 0.000 0.446 263 G N 2.598 111.344 108.800 -0.089 0.000 2.537 263 G HA2 0.542 4.501 3.960 -0.001 0.000 0.323 263 G HA3 0.542 4.501 3.960 -0.001 0.000 0.323 263 G C -1.263 173.606 174.900 -0.053 0.000 1.207 263 G CA -0.609 44.451 45.100 -0.067 0.000 0.976 263 G HN 0.683 nan 8.290 nan 0.000 0.487 264 E N -0.816 119.361 120.200 -0.038 0.000 2.413 264 E HA 0.395 4.744 4.350 -0.001 0.000 0.277 264 E C -0.606 175.978 176.600 -0.025 0.000 0.958 264 E CA -0.897 55.488 56.400 -0.025 0.000 0.779 264 E CB 1.452 31.149 29.700 -0.004 0.000 1.278 264 E HN 0.155 nan 8.360 nan 0.000 0.456 265 L N 1.266 122.475 121.223 -0.023 0.000 2.270 265 L HA 0.277 4.617 4.340 -0.001 0.000 0.210 265 L C 1.407 178.271 176.870 -0.010 0.000 1.104 265 L CA 1.515 56.342 54.840 -0.021 0.000 0.804 265 L CB -0.349 41.694 42.059 -0.026 0.000 0.937 265 L HN 1.008 nan 8.230 nan 0.000 0.450 266 G N 1.010 109.810 108.800 -0.000 0.000 2.341 266 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.278 266 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.278 266 G C -0.117 174.791 174.900 0.013 0.000 1.111 266 G CA 0.351 45.455 45.100 0.006 0.000 0.982 266 G HN 0.395 nan 8.290 nan 0.000 0.502 267 I N -2.588 118.001 120.570 0.032 0.000 2.647 267 I HA 0.900 5.069 4.170 -0.001 0.000 0.295 267 I C -0.088 176.088 176.117 0.098 0.000 1.078 267 I CA -1.915 59.413 61.300 0.046 0.000 1.048 267 I CB 1.662 39.688 38.000 0.044 0.000 1.239 267 I HN -0.022 nan 8.210 nan 0.000 0.421 268 M N 4.202 123.838 119.600 0.062 0.000 2.367 268 M HA 0.875 5.355 4.480 -0.001 0.000 0.339 268 M C 0.302 176.609 176.300 0.010 0.000 1.177 268 M CA -0.337 54.998 55.300 0.060 0.000 1.068 268 M CB 0.813 33.416 32.600 0.005 0.000 1.602 268 M HN 1.065 nan 8.290 nan 0.000 0.457 269 G N 0.322 109.050 108.800 -0.121 0.000 2.488 269 G HA2 0.575 4.534 3.960 -0.001 0.000 0.301 269 G HA3 0.575 4.534 3.960 -0.001 0.000 0.301 269 G C -1.729 172.605 174.900 -0.942 0.000 1.339 269 G CA -0.310 44.531 45.100 -0.433 0.000 0.803 269 G HN 0.767 nan 8.290 nan 0.000 0.482 270 T N -0.823 113.240 114.554 -0.818 0.000 2.762 270 T HA 0.507 4.857 4.350 -0.001 0.000 0.301 270 T C -1.477 173.033 174.700 -0.317 0.000 1.299 270 T CA -0.548 61.176 62.100 -0.627 0.000 1.005 270 T CB 1.717 70.445 68.868 -0.235 0.000 1.377 270 T HN 0.426 nan 8.240 nan 0.000 0.504 271 E N 1.837 121.957 120.200 -0.134 0.000 2.376 271 E HA 0.147 4.497 4.350 -0.001 0.000 0.266 271 E C -0.319 176.283 176.600 0.002 0.000 1.009 271 E CA -0.303 56.106 56.400 0.015 0.000 0.902 271 E CB 0.688 30.404 29.700 0.026 0.000 0.972 271 E HN 0.425 nan 8.360 nan 0.000 0.439 272 L N 5.089 126.341 121.223 0.050 0.000 2.334 272 L HA 0.093 4.433 4.340 -0.001 0.000 0.286 272 L C -0.230 176.631 176.870 -0.015 0.000 1.108 272 L CA -0.391 54.451 54.840 0.004 0.000 0.875 272 L CB -0.573 41.525 42.059 0.066 0.000 1.246 272 L HN 0.340 nan 8.230 nan 0.000 0.439 273 N N 1.490 120.159 118.700 -0.052 0.000 2.448 273 N HA 0.223 4.962 4.740 -0.001 0.000 0.274 273 N C 0.823 176.303 175.510 -0.049 0.000 1.239 273 N CA -0.084 52.942 53.050 -0.040 0.000 0.982 273 N CB 0.377 38.838 38.487 -0.042 0.000 1.199 273 N HN 0.337 nan 8.380 nan 0.000 0.576 274 S N -0.913 114.766 115.700 -0.035 0.000 2.382 274 S HA -0.152 4.317 4.470 -0.001 0.000 0.228 274 S C 1.176 175.747 174.600 -0.049 0.000 1.027 274 S CA 1.150 59.330 58.200 -0.034 0.000 0.991 274 S CB -0.488 62.699 63.200 -0.022 0.000 0.823 274 S HN 0.585 nan 8.310 nan 0.000 0.469 275 E N 0.713 120.880 120.200 -0.055 0.000 2.023 275 E HA -0.165 4.185 4.350 -0.001 0.000 0.196 275 E C 2.156 178.700 176.600 -0.093 0.000 1.003 275 E CA 1.453 57.814 56.400 -0.064 0.000 0.809 275 E CB -0.397 29.266 29.700 -0.061 0.000 0.755 275 E HN 0.469 nan 8.360 nan 0.000 0.449 276 L N 0.579 121.723 121.223 -0.132 0.000 2.131 276 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 276 L C 2.341 179.089 176.870 -0.204 0.000 1.092 276 L CA 1.044 55.755 54.840 -0.215 0.000 0.759 276 L CB -0.187 41.682 42.059 -0.317 0.000 0.903 276 L HN 0.118 nan 8.230 nan 0.000 0.435 277 A N -0.051 122.689 122.820 -0.133 0.000 1.902 277 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 277 A C 2.245 179.791 177.584 -0.063 0.000 1.181 277 A CA 1.817 53.803 52.037 -0.085 0.000 0.623 277 A CB -0.355 18.617 19.000 -0.046 0.000 0.818 277 A HN 0.430 nan 8.150 nan 0.000 0.443 278 K N -0.233 120.132 120.400 -0.059 0.000 2.032 278 K HA -0.105 4.215 4.320 -0.001 0.000 0.209 278 K C 2.344 178.916 176.600 -0.046 0.000 1.048 278 K CA 1.283 57.544 56.287 -0.043 0.000 0.927 278 K CB -0.375 32.102 32.500 -0.039 0.000 0.712 278 K HN 0.435 nan 8.250 nan 0.000 0.441 279 A N 1.046 123.826 122.820 -0.067 0.000 1.877 279 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 279 A C 1.898 179.452 177.584 -0.050 0.000 1.186 279 A CA 1.426 53.425 52.037 -0.062 0.000 0.620 279 A CB -0.250 18.698 19.000 -0.087 0.000 0.822 279 A HN 0.157 nan 8.150 nan 0.000 0.443 280 M N -0.467 119.092 119.600 -0.069 0.000 2.568 280 M HA 0.098 4.577 4.480 -0.001 0.000 0.226 280 M C -0.119 176.184 176.300 0.005 0.000 1.148 280 M CA 0.289 55.575 55.300 -0.022 0.000 1.007 280 M CB -0.565 32.016 32.600 -0.032 0.000 1.651 280 M HN 0.251 nan 8.290 nan 0.000 0.488 281 K N 0.118 120.513 120.400 -0.008 0.000 3.071 281 K HA -0.135 4.185 4.320 -0.001 0.000 0.262 281 K C -0.605 176.000 176.600 0.010 0.000 0.977 281 K CA 0.250 56.538 56.287 0.001 0.000 0.721 281 K CB -2.671 29.833 32.500 0.008 0.000 1.293 281 K HN 0.228 nan 8.250 nan 0.000 0.475 282 V N 0.199 120.117 119.914 0.006 0.000 2.612 282 V HA 0.134 4.254 4.120 -0.001 0.000 0.301 282 V C 1.640 177.740 176.094 0.011 0.000 1.046 282 V CA -0.507 61.804 62.300 0.019 0.000 0.946 282 V CB 1.927 33.770 31.823 0.033 0.000 1.003 282 V HN 0.124 nan 8.190 nan 0.000 0.459 283 D N 2.300 122.710 120.400 0.017 0.000 2.110 283 D HA 0.075 4.715 4.640 -0.001 0.000 0.202 283 D C 1.081 177.390 176.300 0.014 0.000 0.975 283 D CA 1.180 55.188 54.000 0.013 0.000 0.839 283 D CB 0.044 40.853 40.800 0.016 0.000 0.996 283 D HN 0.736 nan 8.370 nan 0.000 0.464 284 A N 0.425 123.258 122.820 0.022 0.000 2.488 284 A HA 0.121 4.440 4.320 -0.001 0.000 0.249 284 A C 0.655 178.250 177.584 0.018 0.000 1.083 284 A CA 0.033 52.084 52.037 0.024 0.000 0.768 284 A CB 0.467 19.488 19.000 0.036 0.000 1.017 284 A HN 0.100 nan 8.150 nan 0.000 0.496 285 Q N 0.149 119.958 119.800 0.014 0.000 2.320 285 Q HA 0.236 4.576 4.340 -0.001 0.000 0.201 285 Q C 0.340 176.349 176.000 0.015 0.000 0.910 285 Q CA 0.695 56.502 55.803 0.007 0.000 0.946 285 Q CB 0.136 28.877 28.738 0.004 0.000 1.062 285 Q HN 0.689 nan 8.270 nan 0.000 0.503 286 R N -1.750 118.768 120.500 0.030 0.000 2.594 286 R HA 0.656 4.996 4.340 -0.001 0.000 0.265 286 R C -1.014 175.324 176.300 0.064 0.000 1.070 286 R CA 0.042 56.168 56.100 0.043 0.000 0.909 286 R CB 1.447 31.770 30.300 0.039 0.000 1.243 286 R HN 0.177 nan 8.270 nan 0.000 0.455 287 G N 0.739 109.593 108.800 0.090 0.000 2.362 287 G HA2 0.360 4.319 3.960 -0.001 0.000 0.288 287 G HA3 0.360 4.319 3.960 -0.001 0.000 0.288 287 G C -1.851 173.162 174.900 0.189 0.000 1.305 287 G CA -0.388 44.782 45.100 0.117 0.000 0.910 287 G HN 0.679 nan 8.290 nan 0.000 0.518 288 A N -0.280 122.675 122.820 0.225 0.000 2.252 288 A HA 0.699 5.018 4.320 -0.001 0.000 0.309 288 A C -0.741 177.035 177.584 0.320 0.000 1.285 288 A CA -0.368 51.904 52.037 0.391 0.000 0.900 288 A CB 0.264 19.498 19.000 0.389 0.000 1.157 288 A HN 1.678 nan 8.150 nan 0.000 0.536 289 F N 4.163 124.176 119.950 0.103 0.000 2.405 289 F HA 0.460 4.986 4.527 -0.001 0.000 0.355 289 F C -0.042 175.760 175.800 0.004 0.000 1.121 289 F CA -0.493 57.519 58.000 0.020 0.000 1.112 289 F CB 1.162 40.139 39.000 -0.039 0.000 1.126 289 F HN 0.295 nan 8.300 nan 0.000 0.481 290 V N 7.151 126.704 119.914 -0.602 0.000 2.381 290 V HA -0.020 4.100 4.120 -0.001 0.000 0.257 290 V C 1.024 176.701 176.094 -0.694 0.000 1.057 290 V CA 0.534 62.561 62.300 -0.455 0.000 1.013 290 V CB 0.302 31.962 31.823 -0.272 0.000 1.069 290 V HN 1.017 nan 8.190 nan 0.000 0.484 291 S N 4.275 119.741 115.700 -0.391 0.000 2.355 291 S HA -0.079 4.391 4.470 -0.001 0.000 0.222 291 S C 0.690 175.194 174.600 -0.160 0.000 1.031 291 S CA 1.561 59.627 58.200 -0.222 0.000 0.993 291 S CB 0.081 63.235 63.200 -0.078 0.000 0.859 291 S HN 0.959 nan 8.310 nan 0.000 0.453 292 Q N -0.542 119.186 119.800 -0.120 0.000 2.647 292 Q HA 0.528 4.868 4.340 -0.001 0.000 0.283 292 Q C -1.303 174.667 176.000 -0.050 0.000 0.943 292 Q CA -1.049 54.709 55.803 -0.075 0.000 0.813 292 Q CB 1.719 30.430 28.738 -0.043 0.000 1.477 292 Q HN 0.174 nan 8.270 nan 0.000 0.393 293 V N -0.368 119.522 119.914 -0.041 0.000 2.459 293 V HA 0.627 4.747 4.120 -0.001 0.000 0.295 293 V C -0.289 175.795 176.094 -0.017 0.000 1.029 293 V CA -0.911 61.374 62.300 -0.025 0.000 0.874 293 V CB 0.973 32.779 31.823 -0.028 0.000 0.985 293 V HN 0.791 nan 8.190 nan 0.000 0.438 294 L N 5.497 126.715 121.223 -0.009 0.000 2.426 294 L HA 0.394 4.734 4.340 -0.001 0.000 0.271 294 L C -2.067 174.798 176.870 -0.010 0.000 1.169 294 L CA -1.419 53.416 54.840 -0.007 0.000 0.836 294 L CB 0.481 42.539 42.059 -0.003 0.000 1.112 294 L HN 0.435 nan 8.230 nan 0.000 0.465 295 P HA 0.096 nan 4.420 nan 0.000 0.271 295 P C -0.342 176.952 177.300 -0.010 0.000 1.216 295 P CA -0.016 63.078 63.100 -0.010 0.000 0.776 295 P CB 0.378 32.073 31.700 -0.009 0.000 0.881 296 N N -1.437 117.257 118.700 -0.010 0.000 2.782 296 N HA -0.132 4.607 4.740 -0.001 0.000 0.251 296 N C -0.359 175.144 175.510 -0.012 0.000 1.101 296 N CA 1.247 54.291 53.050 -0.011 0.000 0.764 296 N CB -1.918 36.563 38.487 -0.010 0.000 1.122 296 N HN 0.588 nan 8.380 nan 0.000 0.561 297 S N -1.795 113.898 115.700 -0.012 0.000 2.608 297 S HA 0.600 5.070 4.470 -0.001 0.000 0.291 297 S C 1.593 176.184 174.600 -0.014 0.000 1.146 297 S CA 0.108 58.300 58.200 -0.012 0.000 1.043 297 S CB 2.184 65.378 63.200 -0.010 0.000 1.037 297 S HN 0.256 nan 8.310 nan 0.000 0.520 298 S N 2.471 118.162 115.700 -0.016 0.000 2.372 298 S HA -0.231 4.238 4.470 -0.001 0.000 0.227 298 S C 2.075 176.665 174.600 -0.016 0.000 1.044 298 S CA 1.242 59.432 58.200 -0.017 0.000 1.050 298 S CB -1.505 61.682 63.200 -0.020 0.000 0.901 298 S HN 1.247 nan 8.310 nan 0.000 0.447 299 A N 2.595 125.406 122.820 -0.016 0.000 1.883 299 A HA 0.180 4.499 4.320 -0.001 0.000 0.217 299 A C 2.630 180.204 177.584 -0.016 0.000 1.186 299 A CA 2.259 54.287 52.037 -0.016 0.000 0.624 299 A CB -1.657 17.334 19.000 -0.014 0.000 0.822 299 A HN 0.964 nan 8.150 nan 0.000 0.444 300 A N 0.164 122.975 122.820 -0.015 0.000 1.865 300 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 300 A C 2.075 179.651 177.584 -0.014 0.000 1.191 300 A CA 2.015 54.043 52.037 -0.015 0.000 0.623 300 A CB -0.585 18.407 19.000 -0.014 0.000 0.826 300 A HN 0.594 nan 8.150 nan 0.000 0.444 301 K N -0.202 120.190 120.400 -0.013 0.000 2.211 301 K HA -0.049 4.271 4.320 -0.001 0.000 0.204 301 K C 2.061 178.654 176.600 -0.012 0.000 1.047 301 K CA 1.097 57.377 56.287 -0.012 0.000 0.935 301 K CB -0.321 32.172 32.500 -0.012 0.000 0.728 301 K HN 0.457 nan 8.250 nan 0.000 0.452 302 A N 0.634 123.446 122.820 -0.013 0.000 2.067 302 A HA 0.129 4.448 4.320 -0.001 0.000 0.217 302 A C 1.564 179.141 177.584 -0.011 0.000 1.156 302 A CA 1.121 53.151 52.037 -0.012 0.000 0.683 302 A CB -0.221 18.771 19.000 -0.014 0.000 0.808 302 A HN 0.428 nan 8.150 nan 0.000 0.455 303 G N -1.209 107.583 108.800 -0.012 0.000 2.135 303 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.183 303 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.183 303 G C -0.043 174.848 174.900 -0.015 0.000 1.004 303 G CA -0.072 45.020 45.100 -0.012 0.000 0.677 303 G HN 0.378 nan 8.290 nan 0.000 0.512 304 I N 1.200 121.759 120.570 -0.018 0.000 2.396 304 I HA 0.551 4.721 4.170 -0.001 0.000 0.289 304 I C 0.819 176.918 176.117 -0.031 0.000 1.056 304 I CA 0.296 61.583 61.300 -0.023 0.000 1.365 304 I CB 0.927 38.913 38.000 -0.023 0.000 1.407 304 I HN 0.318 nan 8.210 nan 0.000 0.509 305 K N 4.834 125.212 120.400 -0.037 0.000 2.221 305 K HA 0.865 5.185 4.320 -0.001 0.000 0.243 305 K C -0.009 176.544 176.600 -0.078 0.000 0.968 305 K CA -0.374 55.886 56.287 -0.045 0.000 0.846 305 K CB 1.349 33.830 32.500 -0.032 0.000 1.141 305 K HN 0.760 nan 8.250 nan 0.000 0.434 306 A N -0.521 122.245 122.820 -0.090 0.000 2.448 306 A HA 0.518 4.838 4.320 -0.001 0.000 0.239 306 A C 1.682 179.164 177.584 -0.170 0.000 1.080 306 A CA 1.117 53.061 52.037 -0.156 0.000 0.779 306 A CB -0.715 18.213 19.000 -0.119 0.000 1.026 306 A HN 2.528 nan 8.150 nan 0.000 0.499 307 G N 0.589 109.184 108.800 -0.341 0.000 2.179 307 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.260 307 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.260 307 G C -0.120 174.714 174.900 -0.110 0.000 0.977 307 G CA 0.553 45.534 45.100 -0.198 0.000 0.641 307 G HN 0.888 nan 8.290 nan 0.000 0.533 308 D N -0.368 119.920 120.400 -0.187 0.000 2.313 308 D HA 0.553 5.192 4.640 -0.001 0.000 0.247 308 D C 0.262 176.540 176.300 -0.036 0.000 1.094 308 D CA -0.075 53.884 54.000 -0.067 0.000 0.925 308 D CB 1.818 42.583 40.800 -0.059 0.000 1.188 308 D HN 0.143 nan 8.370 nan 0.000 0.430 309 V N 3.022 122.974 119.914 0.063 0.000 2.378 309 V HA 0.307 4.427 4.120 -0.001 0.000 0.288 309 V C 0.171 176.313 176.094 0.079 0.000 1.016 309 V CA -0.741 61.631 62.300 0.119 0.000 0.840 309 V CB 1.174 33.096 31.823 0.165 0.000 0.994 309 V HN 0.387 nan 8.190 nan 0.000 0.431 310 I N 4.724 125.344 120.570 0.083 0.000 2.416 310 I HA 0.241 4.411 4.170 -0.001 0.000 0.288 310 I C 1.398 177.551 176.117 0.060 0.000 1.051 310 I CA 0.153 61.488 61.300 0.058 0.000 1.375 310 I CB 1.507 39.536 38.000 0.049 0.000 1.407 310 I HN 0.812 nan 8.210 nan 0.000 0.516 311 T N -0.045 114.534 114.554 0.041 0.000 2.969 311 T HA 0.159 4.509 4.350 -0.001 0.000 0.250 311 T C 0.519 175.234 174.700 0.024 0.000 1.021 311 T CA 0.077 62.200 62.100 0.037 0.000 1.003 311 T CB 0.274 69.163 68.868 0.034 0.000 1.040 311 T HN 0.625 nan 8.240 nan 0.000 0.492 312 S N 0.689 116.398 115.700 0.015 0.000 2.579 312 S HA 0.763 5.232 4.470 -0.001 0.000 0.272 312 S C -1.812 172.787 174.600 -0.002 0.000 1.141 312 S CA -0.994 57.210 58.200 0.007 0.000 0.843 312 S CB 2.229 65.433 63.200 0.007 0.000 1.122 312 S HN 0.385 nan 8.310 nan 0.000 0.468 313 L N 2.127 123.345 121.223 -0.008 0.000 2.446 313 L HA 0.625 4.965 4.340 -0.001 0.000 0.268 313 L C -0.408 176.454 176.870 -0.014 0.000 0.975 313 L CA 0.210 55.041 54.840 -0.016 0.000 0.848 313 L CB 0.604 42.647 42.059 -0.027 0.000 1.225 313 L HN 0.868 nan 8.230 nan 0.000 0.410 314 N N 4.100 122.792 118.700 -0.013 0.000 2.725 314 N HA -0.208 4.531 4.740 -0.001 0.000 0.249 314 N C 0.980 176.485 175.510 -0.007 0.000 1.103 314 N CA 1.557 54.600 53.050 -0.011 0.000 0.707 314 N CB -1.226 37.252 38.487 -0.014 0.000 1.043 314 N HN 1.337 nan 8.380 nan 0.000 0.553 315 G N -1.473 107.325 108.800 -0.005 0.000 2.358 315 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.224 315 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.224 315 G C -0.044 174.856 174.900 0.000 0.000 1.073 315 G CA 0.427 45.526 45.100 -0.001 0.000 0.635 315 G HN 0.300 nan 8.290 nan 0.000 0.509 316 K N 2.499 122.898 120.400 -0.002 0.000 2.383 316 K HA 0.394 4.713 4.320 -0.001 0.000 0.286 316 K C -2.247 174.355 176.600 0.002 0.000 1.051 316 K CA -1.573 54.714 56.287 -0.000 0.000 0.974 316 K CB 0.841 33.339 32.500 -0.003 0.000 0.968 316 K HN 0.230 nan 8.250 nan 0.000 0.475 317 P HA 0.079 nan 4.420 nan 0.000 0.269 317 P C -0.056 177.251 177.300 0.010 0.000 1.217 317 P CA 0.140 63.246 63.100 0.010 0.000 0.783 317 P CB 0.499 32.207 31.700 0.013 0.000 0.898 318 I N 1.251 121.831 120.570 0.016 0.000 2.354 318 I HA 0.073 4.242 4.170 -0.001 0.000 0.292 318 I C 1.545 177.679 176.117 0.028 0.000 0.989 318 I CA -0.024 61.286 61.300 0.017 0.000 1.188 318 I CB 1.677 39.688 38.000 0.019 0.000 1.342 318 I HN 0.395 nan 8.210 nan 0.000 0.457 319 S N 3.768 119.485 115.700 0.027 0.000 2.377 319 S HA 0.023 4.493 4.470 -0.001 0.000 0.223 319 S C 0.668 175.298 174.600 0.051 0.000 1.030 319 S CA 0.601 58.823 58.200 0.036 0.000 0.970 319 S CB -0.033 63.188 63.200 0.035 0.000 0.830 319 S HN 0.749 nan 8.310 nan 0.000 0.473 320 S N -1.254 114.480 115.700 0.057 0.000 2.611 320 S HA 0.527 4.996 4.470 -0.001 0.000 0.268 320 S C -0.026 174.645 174.600 0.119 0.000 1.156 320 S CA -0.556 57.702 58.200 0.096 0.000 0.817 320 S CB 0.040 63.294 63.200 0.090 0.000 1.122 320 S HN 0.104 nan 8.310 nan 0.000 0.466 321 F N 1.790 121.756 119.950 0.026 0.000 2.134 321 F HA 0.082 4.609 4.527 -0.001 0.000 0.299 321 F C 2.533 178.341 175.800 0.014 0.000 1.097 321 F CA 2.260 60.275 58.000 0.026 0.000 1.264 321 F CB -0.739 38.282 39.000 0.036 0.000 1.001 321 F HN 0.837 nan 8.300 nan 0.000 0.479 322 A N 0.195 123.117 122.820 0.170 0.000 1.972 322 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 322 A C 2.364 179.925 177.584 -0.039 0.000 1.169 322 A CA 1.719 53.790 52.037 0.057 0.000 0.635 322 A CB -1.470 17.573 19.000 0.072 0.000 0.810 322 A HN 0.510 nan 8.150 nan 0.000 0.446 323 A N -0.387 122.417 122.820 -0.027 0.000 1.855 323 A HA 0.017 4.337 4.320 -0.001 0.000 0.215 323 A C 2.109 179.645 177.584 -0.080 0.000 1.191 323 A CA 1.611 53.622 52.037 -0.044 0.000 0.613 323 A CB -0.722 18.269 19.000 -0.015 0.000 0.829 323 A HN 0.729 nan 8.150 nan 0.000 0.442 324 L N 0.182 121.333 121.223 -0.119 0.000 2.043 324 L HA -0.188 4.151 4.340 -0.001 0.000 0.212 324 L C 2.455 179.205 176.870 -0.200 0.000 1.075 324 L CA 2.565 57.306 54.840 -0.164 0.000 0.752 324 L CB -0.645 41.286 42.059 -0.213 0.000 0.891 324 L HN 0.496 nan 8.230 nan 0.000 0.432 325 R N -0.662 119.668 120.500 -0.283 0.000 2.091 325 R HA -0.189 4.151 4.340 -0.001 0.000 0.238 325 R C 2.114 178.439 176.300 0.043 0.000 1.136 325 R CA 1.563 57.554 56.100 -0.182 0.000 0.959 325 R CB -0.402 29.774 30.300 -0.207 0.000 0.856 325 R HN 0.531 nan 8.270 nan 0.000 0.437 326 A N 0.668 123.511 122.820 0.038 0.000 1.929 326 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 326 A C 2.042 179.601 177.584 -0.042 0.000 1.176 326 A CA 0.931 53.020 52.037 0.087 0.000 0.628 326 A CB -0.291 18.710 19.000 0.002 0.000 0.816 326 A HN 0.387 nan 8.150 nan 0.000 0.444 327 Q N -0.000 119.760 119.800 -0.066 0.000 1.948 327 Q HA -0.174 4.166 4.340 -0.001 0.000 0.205 327 Q C 2.408 178.346 176.000 -0.103 0.000 0.992 327 Q CA 2.332 58.087 55.803 -0.080 0.000 0.849 327 Q CB -1.252 27.443 28.738 -0.071 0.000 0.918 327 Q HN 0.766 nan 8.270 nan 0.000 0.421 328 V N -1.643 118.209 119.914 -0.104 0.000 2.759 328 V HA 0.002 4.121 4.120 -0.001 0.000 0.256 328 V C 2.083 178.080 176.094 -0.162 0.000 1.080 328 V CA 2.001 64.235 62.300 -0.111 0.000 1.101 328 V CB -1.489 30.277 31.823 -0.094 0.000 0.698 328 V HN 0.329 nan 8.190 nan 0.000 0.477 329 G N 0.911 109.577 108.800 -0.223 0.000 2.535 329 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.218 329 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.218 329 G C 1.541 176.099 174.900 -0.570 0.000 1.122 329 G CA 1.482 46.262 45.100 -0.534 0.000 0.769 329 G HN 0.737 nan 8.290 nan 0.000 0.549 330 T N -2.631 111.724 114.554 -0.332 0.000 2.990 330 T HA 0.379 4.729 4.350 -0.001 0.000 0.250 330 T C 1.145 175.752 174.700 -0.154 0.000 1.041 330 T CA -0.339 61.617 62.100 -0.240 0.000 1.010 330 T CB 0.015 68.781 68.868 -0.171 0.000 1.003 330 T HN 0.098 nan 8.240 nan 0.000 0.499 331 M N 2.654 122.172 119.600 -0.136 0.000 2.233 331 M HA 0.363 4.843 4.480 -0.001 0.000 0.350 331 M C -2.501 173.748 176.300 -0.085 0.000 1.176 331 M CA -2.021 53.225 55.300 -0.090 0.000 1.150 331 M CB 0.330 32.883 32.600 -0.077 0.000 1.530 331 M HN -0.069 nan 8.290 nan 0.000 0.459 332 P HA 0.134 nan 4.420 nan 0.000 0.274 332 P C -0.686 176.576 177.300 -0.063 0.000 1.231 332 P CA -0.522 62.549 63.100 -0.048 0.000 0.790 332 P CB 0.350 32.056 31.700 0.010 0.000 0.951 333 V N 1.748 121.609 119.914 -0.087 0.000 2.788 333 V HA 0.215 4.335 4.120 -0.001 0.000 0.307 333 V C 1.767 177.826 176.094 -0.057 0.000 1.069 333 V CA 1.830 64.082 62.300 -0.080 0.000 1.173 333 V CB -0.583 31.180 31.823 -0.100 0.000 0.925 333 V HN 1.042 nan 8.190 nan 0.000 0.492 334 G N 3.460 112.233 108.800 -0.046 0.000 2.179 334 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.260 334 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.260 334 G C 0.384 175.268 174.900 -0.026 0.000 0.977 334 G CA 0.180 45.260 45.100 -0.033 0.000 0.641 334 G HN 0.799 nan 8.290 nan 0.000 0.533 335 S N 1.400 117.083 115.700 -0.029 0.000 2.515 335 S HA 0.504 4.974 4.470 -0.001 0.000 0.285 335 S C 0.723 175.308 174.600 -0.025 0.000 1.265 335 S CA 0.769 58.954 58.200 -0.025 0.000 1.079 335 S CB 1.012 64.193 63.200 -0.032 0.000 0.877 335 S HN 1.176 nan 8.310 nan 0.000 0.493 336 K N 2.898 123.287 120.400 -0.019 0.000 2.276 336 K HA 0.548 4.867 4.320 -0.001 0.000 0.285 336 K C -0.445 176.143 176.600 -0.019 0.000 1.062 336 K CA -0.569 55.707 56.287 -0.018 0.000 0.918 336 K CB -0.282 32.210 32.500 -0.014 0.000 1.055 336 K HN 0.612 nan 8.250 nan 0.000 0.477 337 L N -1.297 119.913 121.223 -0.021 0.000 2.322 337 L HA 0.910 5.250 4.340 -0.001 0.000 0.252 337 L C -0.007 176.852 176.870 -0.018 0.000 1.055 337 L CA -0.645 54.182 54.840 -0.021 0.000 0.849 337 L CB 1.833 43.875 42.059 -0.028 0.000 1.446 337 L HN 0.577 nan 8.230 nan 0.000 0.416 338 T N -0.933 113.610 114.554 -0.017 0.000 2.886 338 T HA 0.803 5.152 4.350 -0.001 0.000 0.292 338 T C -0.726 173.966 174.700 -0.013 0.000 1.012 338 T CA -0.573 61.519 62.100 -0.014 0.000 0.982 338 T CB 1.164 70.026 68.868 -0.010 0.000 1.018 338 T HN 0.714 nan 8.240 nan 0.000 0.451 339 L N 2.019 123.235 121.223 -0.012 0.000 2.342 339 L HA 0.770 5.110 4.340 -0.001 0.000 0.271 339 L C 0.675 177.543 176.870 -0.003 0.000 1.008 339 L CA -1.219 53.615 54.840 -0.009 0.000 0.818 339 L CB 2.140 44.192 42.059 -0.012 0.000 1.296 339 L HN 1.018 nan 8.230 nan 0.000 0.427 340 G N 2.763 111.564 108.800 0.001 0.000 2.377 340 G HA2 0.587 4.547 3.960 -0.001 0.000 0.316 340 G HA3 0.587 4.547 3.960 -0.001 0.000 0.316 340 G C -0.901 174.007 174.900 0.013 0.000 1.115 340 G CA -0.218 44.886 45.100 0.007 0.000 0.952 340 G HN 0.174 nan 8.290 nan 0.000 0.441 341 L N 1.408 122.638 121.223 0.012 0.000 2.331 341 L HA 0.690 5.029 4.340 -0.001 0.000 0.268 341 L C -0.306 176.577 176.870 0.022 0.000 1.015 341 L CA -1.079 53.772 54.840 0.017 0.000 0.807 341 L CB 2.025 44.089 42.059 0.008 0.000 1.293 341 L HN 0.378 nan 8.230 nan 0.000 0.451 342 L N 1.931 123.173 121.223 0.031 0.000 2.518 342 L HA 0.532 4.872 4.340 -0.001 0.000 0.262 342 L C -0.932 175.962 176.870 0.041 0.000 0.982 342 L CA -0.275 54.586 54.840 0.036 0.000 0.873 342 L CB 0.682 42.767 42.059 0.045 0.000 1.198 342 L HN 0.690 nan 8.230 nan 0.000 0.427 343 R N 2.166 122.684 120.500 0.030 0.000 2.439 343 R HA 0.662 5.002 4.340 -0.001 0.000 0.310 343 R C -0.991 175.325 176.300 0.028 0.000 0.955 343 R CA -0.635 55.483 56.100 0.030 0.000 0.853 343 R CB 1.239 31.549 30.300 0.016 0.000 1.171 343 R HN 0.446 nan 8.270 nan 0.000 0.449 344 D N 2.618 123.039 120.400 0.034 0.000 2.723 344 D HA -0.167 4.473 4.640 -0.001 0.000 0.236 344 D C 0.818 177.132 176.300 0.023 0.000 1.138 344 D CA 1.886 55.903 54.000 0.027 0.000 0.676 344 D CB -1.188 39.625 40.800 0.021 0.000 1.069 344 D HN 1.176 nan 8.370 nan 0.000 0.430 345 G N -0.285 108.531 108.800 0.026 0.000 2.203 345 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.263 345 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.263 345 G C 0.187 175.098 174.900 0.018 0.000 1.012 345 G CA 0.944 46.057 45.100 0.022 0.000 0.749 345 G HN 0.494 nan 8.290 nan 0.000 0.512 346 K N -0.067 120.344 120.400 0.018 0.000 2.292 346 K HA 0.371 4.691 4.320 -0.001 0.000 0.257 346 K C -0.070 176.538 176.600 0.015 0.000 0.940 346 K CA -0.854 55.442 56.287 0.015 0.000 0.811 346 K CB 1.375 33.882 32.500 0.012 0.000 1.120 346 K HN 0.046 nan 8.250 nan 0.000 0.428 347 Q N 2.475 122.282 119.800 0.013 0.000 2.297 347 Q HA 0.215 4.554 4.340 -0.001 0.000 0.267 347 Q C -0.676 175.330 176.000 0.009 0.000 1.006 347 Q CA 0.014 55.824 55.803 0.012 0.000 0.896 347 Q CB 1.302 30.047 28.738 0.011 0.000 1.186 347 Q HN 0.352 nan 8.270 nan 0.000 0.392 348 V N 3.742 123.661 119.914 0.009 0.000 2.823 348 V HA 0.496 4.616 4.120 -0.001 0.000 0.312 348 V C -0.500 175.597 176.094 0.004 0.000 1.072 348 V CA -1.038 61.265 62.300 0.006 0.000 0.937 348 V CB 2.477 34.303 31.823 0.004 0.000 1.013 348 V HN 0.669 nan 8.190 nan 0.000 0.430 349 N N 1.218 119.919 118.700 0.001 0.000 2.258 349 N HA 0.770 5.509 4.740 -0.001 0.000 0.299 349 N C -1.371 174.138 175.510 -0.003 0.000 1.047 349 N CA -0.300 52.750 53.050 -0.000 0.000 0.814 349 N CB 2.344 40.830 38.487 -0.000 0.000 1.413 349 N HN 0.521 nan 8.380 nan 0.000 0.478 350 V N 1.769 121.680 119.914 -0.005 0.000 2.925 350 V HA 0.520 4.640 4.120 -0.001 0.000 0.311 350 V C -1.401 174.687 176.094 -0.009 0.000 1.104 350 V CA -0.767 61.529 62.300 -0.007 0.000 0.954 350 V CB 2.176 33.994 31.823 -0.008 0.000 1.022 350 V HN 0.580 nan 8.190 nan 0.000 0.427 351 N N 5.382 124.076 118.700 -0.010 0.000 2.419 351 N HA 0.656 5.395 4.740 -0.001 0.000 0.277 351 N C -0.916 174.586 175.510 -0.013 0.000 1.006 351 N CA -0.134 52.909 53.050 -0.011 0.000 0.923 351 N CB 1.822 40.303 38.487 -0.010 0.000 1.140 351 N HN 0.605 nan 8.380 nan 0.000 0.488 352 L N 0.457 121.671 121.223 -0.016 0.000 2.279 352 L HA 0.562 4.902 4.340 -0.001 0.000 0.262 352 L C -0.125 176.732 176.870 -0.020 0.000 1.019 352 L CA -0.675 54.154 54.840 -0.019 0.000 0.823 352 L CB 2.277 44.324 42.059 -0.021 0.000 1.358 352 L HN 0.448 nan 8.230 nan 0.000 0.432 353 E N 1.453 121.640 120.200 -0.022 0.000 2.287 353 E HA 0.327 4.676 4.350 -0.001 0.000 0.274 353 E C -1.492 175.091 176.600 -0.028 0.000 0.896 353 E CA -0.596 55.789 56.400 -0.024 0.000 0.788 353 E CB 1.686 31.374 29.700 -0.021 0.000 1.244 353 E HN 0.452 nan 8.360 nan 0.000 0.408 354 L N 3.478 124.680 121.223 -0.034 0.000 2.514 354 L HA 0.044 4.383 4.340 -0.001 0.000 0.280 354 L C 0.425 177.272 176.870 -0.039 0.000 1.223 354 L CA 0.416 55.232 54.840 -0.040 0.000 0.864 354 L CB 0.332 42.361 42.059 -0.049 0.000 1.118 354 L HN 0.539 nan 8.230 nan 0.000 0.494 355 Q N 2.066 121.844 119.800 -0.038 0.000 2.495 355 Q HA 0.408 4.748 4.340 -0.001 0.000 0.283 355 Q C -0.939 175.037 176.000 -0.041 0.000 1.097 355 Q CA -0.842 54.939 55.803 -0.037 0.000 0.836 355 Q CB 1.533 30.254 28.738 -0.029 0.000 1.426 355 Q HN 0.491 nan 8.270 nan 0.000 0.459 356 Q N 0.364 120.140 119.800 -0.041 0.000 2.394 356 Q HA 0.456 4.795 4.340 -0.001 0.000 0.248 356 Q C -0.294 175.687 176.000 -0.032 0.000 0.992 356 Q CA 0.209 55.987 55.803 -0.043 0.000 0.888 356 Q CB 1.048 29.760 28.738 -0.044 0.000 1.257 356 Q HN 0.535 nan 8.270 nan 0.000 0.462 363 D N 1.251 121.644 120.400 -0.011 0.000 2.360 363 D HA 0.293 4.933 4.640 -0.001 0.000 0.242 363 D C 1.245 177.539 176.300 -0.009 0.000 1.184 363 D CA 0.606 54.606 54.000 -0.000 0.000 0.930 363 D CB 1.508 42.313 40.800 0.008 0.000 1.161 363 D HN 0.776 nan 8.370 nan 0.000 0.447 364 S N -0.949 114.767 115.700 0.026 0.000 2.470 364 S HA -0.117 4.352 4.470 -0.001 0.000 0.225 364 S C 1.708 176.350 174.600 0.069 0.000 1.006 364 S CA 0.612 58.841 58.200 0.049 0.000 0.934 364 S CB -0.210 63.103 63.200 0.189 0.000 0.778 364 S HN 0.428 nan 8.310 nan 0.000 0.517 365 S N 1.800 117.540 115.700 0.067 0.000 2.474 365 S HA 0.011 4.481 4.470 -0.001 0.000 0.235 365 S C 1.680 176.294 174.600 0.024 0.000 0.997 365 S CA 0.881 59.122 58.200 0.070 0.000 0.949 365 S CB -0.719 62.512 63.200 0.052 0.000 0.766 365 S HN 0.455 nan 8.310 nan 0.000 0.517 366 S N 1.110 116.798 115.700 -0.019 0.000 2.489 366 S HA 0.319 4.788 4.470 -0.001 0.000 0.228 366 S C 1.433 175.980 174.600 -0.089 0.000 0.995 366 S CA 0.609 58.785 58.200 -0.041 0.000 0.934 366 S CB -0.263 62.911 63.200 -0.044 0.000 0.771 366 S HN 0.594 nan 8.310 nan 0.000 0.522 367 I N -1.511 118.953 120.570 -0.178 0.000 4.124 367 I HA 0.213 4.383 4.170 -0.001 0.000 0.311 367 I C 0.726 176.645 176.117 -0.331 0.000 1.259 367 I CA 0.559 61.662 61.300 -0.328 0.000 1.315 367 I CB 0.217 37.880 38.000 -0.562 0.000 1.223 367 I HN 0.198 nan 8.210 nan 0.000 0.441 368 F N 0.666 120.622 119.950 0.010 0.000 2.695 368 F HA 0.241 4.768 4.527 -0.001 0.000 0.303 368 F C 0.848 176.656 175.800 0.012 0.000 1.091 368 F CA -0.164 57.843 58.000 0.011 0.000 1.300 368 F CB 0.207 39.213 39.000 0.010 0.000 1.071 368 F HN 0.079 nan 8.300 nan 0.000 0.578 369 N N 1.160 119.946 118.700 0.143 0.000 2.642 369 N HA -0.195 4.545 4.740 -0.001 0.000 0.269 369 N C 0.529 176.098 175.510 0.098 0.000 1.073 369 N CA 0.723 53.830 53.050 0.095 0.000 0.748 369 N CB -0.934 37.599 38.487 0.075 0.000 0.894 369 N HN 0.689 nan 8.380 nan 0.000 0.548 370 G N 0.190 109.050 108.800 0.100 0.000 2.370 370 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.174 370 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.174 370 G C -0.318 174.628 174.900 0.077 0.000 1.002 370 G CA 0.016 45.160 45.100 0.074 0.000 0.730 370 G HN 0.345 nan 8.290 nan 0.000 0.497 371 I N 2.364 123.010 120.570 0.126 0.000 2.388 371 I HA 0.642 4.811 4.170 -0.001 0.000 0.281 371 I C 0.550 176.738 176.117 0.119 0.000 1.046 371 I CA -0.623 60.746 61.300 0.115 0.000 1.187 371 I CB -0.043 38.043 38.000 0.144 0.000 1.351 371 I HN 0.374 nan 8.210 nan 0.000 0.472 372 E N 2.809 123.051 120.200 0.069 0.000 2.239 372 E HA 0.678 5.028 4.350 -0.001 0.000 0.261 372 E C 0.946 177.573 176.600 0.046 0.000 1.016 372 E CA -0.503 55.931 56.400 0.056 0.000 0.882 372 E CB 1.094 30.816 29.700 0.036 0.000 1.190 372 E HN 1.011 nan 8.360 nan 0.000 0.415 373 G N -1.756 107.067 108.800 0.038 0.000 2.165 373 G HA2 0.402 4.362 3.960 -0.001 0.000 0.226 373 G HA3 0.402 4.362 3.960 -0.001 0.000 0.226 373 G C 0.185 175.106 174.900 0.035 0.000 1.035 373 G CA 0.471 45.588 45.100 0.029 0.000 0.744 373 G HN 1.980 nan 8.290 nan 0.000 0.501 374 A N -0.289 122.558 122.820 0.044 0.000 2.512 374 A HA 0.665 4.985 4.320 -0.001 0.000 0.290 374 A C -0.428 177.182 177.584 0.043 0.000 1.041 374 A CA -0.337 51.729 52.037 0.048 0.000 0.911 374 A CB 0.888 19.931 19.000 0.071 0.000 1.407 374 A HN 0.362 nan 8.150 nan 0.000 0.398 375 E N 2.053 122.269 120.200 0.027 0.000 2.266 375 E HA 0.735 5.085 4.350 -0.001 0.000 0.277 375 E C -0.079 176.528 176.600 0.012 0.000 1.018 375 E CA -0.360 56.049 56.400 0.015 0.000 0.840 375 E CB 1.649 31.354 29.700 0.008 0.000 1.082 375 E HN 0.778 nan 8.360 nan 0.000 0.395 376 M N -0.556 119.044 119.600 0.000 0.000 2.534 376 M HA 0.594 5.074 4.480 -0.001 0.000 0.280 376 M C -1.072 175.217 176.300 -0.018 0.000 1.217 376 M CA -0.838 54.459 55.300 -0.004 0.000 0.893 376 M CB 2.175 34.777 32.600 0.004 0.000 1.730 376 M HN 0.507 nan 8.290 nan 0.000 0.483 377 S N -0.208 115.482 115.700 -0.017 0.000 2.705 377 S HA 0.623 5.092 4.470 -0.001 0.000 0.280 377 S C -1.074 173.514 174.600 -0.020 0.000 1.174 377 S CA -1.093 57.094 58.200 -0.022 0.000 0.823 377 S CB 1.275 64.464 63.200 -0.018 0.000 1.162 377 S HN 0.798 nan 8.310 nan 0.000 0.487 378 N N 1.204 119.891 118.700 -0.021 0.000 2.415 378 N HA 0.224 4.963 4.740 -0.001 0.000 0.248 378 N C -0.589 174.912 175.510 -0.014 0.000 1.271 378 N CA 0.076 53.115 53.050 -0.019 0.000 0.913 378 N CB 0.249 38.724 38.487 -0.019 0.000 1.129 378 N HN 0.634 nan 8.380 nan 0.000 0.444 379 K N 0.444 120.836 120.400 -0.013 0.000 2.358 379 K HA 0.378 4.698 4.320 -0.001 0.000 0.260 379 K C 0.758 177.352 176.600 -0.010 0.000 0.956 379 K CA -0.388 55.892 56.287 -0.010 0.000 0.834 379 K CB 0.663 33.157 32.500 -0.010 0.000 1.102 379 K HN 0.633 nan 8.250 nan 0.000 0.431 380 G N 2.694 111.488 108.800 -0.009 0.000 2.685 380 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.329 380 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.329 380 G C -0.271 174.623 174.900 -0.009 0.000 1.271 380 G CA 0.755 45.850 45.100 -0.009 0.000 1.003 380 G HN 0.800 nan 8.290 nan 0.000 0.549 381 K N -0.150 120.245 120.400 -0.008 0.000 2.527 381 K HA 0.599 4.919 4.320 -0.001 0.000 0.240 381 K C 0.186 176.782 176.600 -0.008 0.000 0.989 381 K CA 0.617 56.899 56.287 -0.008 0.000 0.985 381 K CB 0.353 32.849 32.500 -0.007 0.000 1.221 381 K HN 1.177 nan 8.250 nan 0.000 0.458 382 D N 1.830 122.225 120.400 -0.009 0.000 2.689 382 D HA -0.131 4.509 4.640 -0.001 0.000 0.237 382 D C 0.455 176.750 176.300 -0.008 0.000 1.148 382 D CA 1.170 55.165 54.000 -0.008 0.000 0.656 382 D CB -0.459 40.337 40.800 -0.007 0.000 1.050 382 D HN 0.691 nan 8.370 nan 0.000 0.426 383 Q N -0.655 119.139 119.800 -0.009 0.000 2.179 383 Q HA 0.463 4.803 4.340 -0.001 0.000 0.213 383 Q C 1.257 177.251 176.000 -0.011 0.000 0.833 383 Q CA 0.608 56.405 55.803 -0.009 0.000 0.990 383 Q CB 1.128 29.861 28.738 -0.009 0.000 1.132 383 Q HN 0.549 nan 8.270 nan 0.000 0.493 384 G N -0.175 108.618 108.800 -0.011 0.000 2.483 384 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.521 384 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.521 384 G C -1.113 173.780 174.900 -0.012 0.000 1.278 384 G CA -0.711 44.383 45.100 -0.012 0.000 0.965 384 G HN -0.012 nan 8.290 nan 0.000 0.504 385 V N 0.645 120.553 119.914 -0.010 0.000 2.294 385 V HA 0.538 4.658 4.120 -0.001 0.000 0.272 385 V C 0.873 176.965 176.094 -0.004 0.000 1.027 385 V CA -0.301 61.992 62.300 -0.010 0.000 0.823 385 V CB 0.865 32.680 31.823 -0.014 0.000 1.030 385 V HN 1.206 nan 8.190 nan 0.000 0.457 386 V N 6.893 126.803 119.914 -0.006 0.000 2.649 386 V HA 0.385 4.505 4.120 -0.001 0.000 0.292 386 V C 0.159 176.255 176.094 0.003 0.000 1.055 386 V CA 0.070 62.369 62.300 -0.002 0.000 1.023 386 V CB 1.922 33.742 31.823 -0.005 0.000 0.992 386 V HN 0.592 nan 8.190 nan 0.000 0.480 387 V N 7.908 127.828 119.914 0.009 0.000 2.408 387 V HA 0.232 4.352 4.120 -0.001 0.000 0.267 387 V C 0.905 177.004 176.094 0.009 0.000 1.047 387 V CA 0.080 62.389 62.300 0.015 0.000 0.937 387 V CB 0.621 32.459 31.823 0.026 0.000 0.999 387 V HN 1.045 nan 8.190 nan 0.000 0.472 388 N N 3.555 122.260 118.700 0.007 0.000 2.092 388 N HA -0.032 4.708 4.740 -0.001 0.000 0.189 388 N C 0.557 176.070 175.510 0.006 0.000 1.040 388 N CA 0.850 53.902 53.050 0.004 0.000 0.845 388 N CB 0.058 38.546 38.487 0.001 0.000 1.017 388 N HN 0.652 nan 8.380 nan 0.000 0.426 389 N N -0.793 117.912 118.700 0.009 0.000 2.331 389 N HA 0.389 5.129 4.740 -0.001 0.000 0.280 389 N C -2.110 173.408 175.510 0.014 0.000 1.155 389 N CA -0.531 52.525 53.050 0.009 0.000 0.822 389 N CB 1.956 40.447 38.487 0.007 0.000 1.619 389 N HN -0.237 nan 8.380 nan 0.000 0.476 390 V N 0.622 120.543 119.914 0.013 0.000 2.656 390 V HA 0.799 4.918 4.120 -0.001 0.000 0.307 390 V C 0.175 176.276 176.094 0.012 0.000 1.051 390 V CA -0.898 61.411 62.300 0.016 0.000 0.893 390 V CB 1.118 32.950 31.823 0.016 0.000 0.999 390 V HN 0.832 nan 8.190 nan 0.000 0.426 391 K N 1.328 121.736 120.400 0.013 0.000 2.110 391 K HA 0.740 5.059 4.320 -0.001 0.000 0.263 391 K C 0.117 176.722 176.600 0.008 0.000 0.975 391 K CA -0.505 55.788 56.287 0.010 0.000 0.895 391 K CB 1.100 33.606 32.500 0.010 0.000 1.060 391 K HN 0.749 nan 8.250 nan 0.000 0.448 392 T N 0.692 115.249 114.554 0.006 0.000 2.913 392 T HA 0.481 4.831 4.350 -0.001 0.000 0.297 392 T C 1.171 175.873 174.700 0.004 0.000 1.029 392 T CA 0.977 63.079 62.100 0.004 0.000 1.104 392 T CB 0.962 69.832 68.868 0.003 0.000 0.964 392 T HN 1.776 nan 8.240 nan 0.000 0.532 393 G N 2.245 111.047 108.800 0.003 0.000 2.272 393 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.280 393 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.280 393 G C 0.160 175.062 174.900 0.003 0.000 1.067 393 G CA 0.178 45.279 45.100 0.002 0.000 0.902 393 G HN 1.167 nan 8.290 nan 0.000 0.500 394 T N -3.833 110.724 114.554 0.004 0.000 2.916 394 T HA 0.733 5.083 4.350 -0.001 0.000 0.292 394 T C -1.321 173.381 174.700 0.005 0.000 1.055 394 T CA -1.337 60.767 62.100 0.007 0.000 1.009 394 T CB 2.865 71.741 68.868 0.013 0.000 1.118 394 T HN -0.143 nan 8.240 nan 0.000 0.497 395 P HA -0.061 nan 4.420 nan 0.000 0.217 395 P C 1.545 178.838 177.300 -0.012 0.000 1.148 395 P CA 1.416 64.514 63.100 -0.003 0.000 0.828 395 P CB -0.192 31.511 31.700 0.005 0.000 0.783 396 A N 0.149 122.971 122.820 0.003 0.000 1.855 396 A HA -0.016 4.304 4.320 -0.001 0.000 0.215 396 A C 2.300 179.879 177.584 -0.009 0.000 1.191 396 A CA 1.851 53.888 52.037 -0.000 0.000 0.613 396 A CB -1.544 17.480 19.000 0.039 0.000 0.829 396 A HN 0.190 nan 8.150 nan 0.000 0.442 397 A N -1.441 121.379 122.820 0.001 0.000 2.172 397 A HA 0.171 4.491 4.320 -0.001 0.000 0.216 397 A C 2.212 179.791 177.584 -0.008 0.000 1.154 397 A CA 1.921 53.958 52.037 -0.001 0.000 0.701 397 A CB -0.894 18.108 19.000 0.003 0.000 0.789 397 A HN 0.824 nan 8.150 nan 0.000 0.465 398 Q N 0.047 119.840 119.800 -0.012 0.000 2.369 398 Q HA 0.148 4.487 4.340 -0.001 0.000 0.206 398 Q C 1.810 177.797 176.000 -0.021 0.000 0.963 398 Q CA 1.407 57.201 55.803 -0.015 0.000 0.894 398 Q CB -1.076 27.652 28.738 -0.015 0.000 0.965 398 Q HN 1.252 nan 8.270 nan 0.000 0.475 399 I N -6.125 114.427 120.570 -0.030 0.000 3.956 399 I HA 0.643 4.813 4.170 -0.001 0.000 0.333 399 I C 1.468 177.571 176.117 -0.024 0.000 1.302 399 I CA 0.805 62.083 61.300 -0.036 0.000 1.122 399 I CB 0.923 38.882 38.000 -0.067 0.000 1.013 399 I HN 0.249 nan 8.210 nan 0.000 0.405 400 G N 1.673 110.463 108.800 -0.015 0.000 2.481 400 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.200 400 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.200 400 G C 0.157 175.056 174.900 -0.003 0.000 1.012 400 G CA -0.132 44.964 45.100 -0.006 0.000 0.676 400 G HN 0.237 nan 8.290 nan 0.000 0.488 401 L N 1.619 122.839 121.223 -0.005 0.000 2.720 401 L HA 0.338 4.678 4.340 -0.001 0.000 0.289 401 L C 0.886 177.762 176.870 0.010 0.000 1.232 401 L CA 1.557 56.400 54.840 0.006 0.000 0.915 401 L CB 0.093 42.161 42.059 0.015 0.000 1.184 401 L HN 0.716 nan 8.230 nan 0.000 0.491 402 K N 2.925 123.331 120.400 0.011 0.000 2.426 402 K HA 0.731 5.050 4.320 -0.001 0.000 0.251 402 K C -0.159 176.448 176.600 0.011 0.000 0.941 402 K CA -0.259 56.033 56.287 0.009 0.000 0.808 402 K CB 1.198 33.701 32.500 0.005 0.000 1.265 402 K HN 0.537 nan 8.250 nan 0.000 0.432 403 K N -0.228 120.178 120.400 0.010 0.000 2.448 403 K HA 0.527 4.846 4.320 -0.001 0.000 0.278 403 K C 1.415 178.019 176.600 0.005 0.000 1.009 403 K CA 0.841 57.133 56.287 0.009 0.000 0.995 403 K CB -0.282 32.223 32.500 0.008 0.000 0.917 403 K HN 2.448 nan 8.250 nan 0.000 0.481 404 G N 1.094 109.897 108.800 0.004 0.000 2.238 404 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.217 404 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.217 404 G C -0.078 174.821 174.900 -0.001 0.000 0.996 404 G CA 0.093 45.194 45.100 0.001 0.000 0.632 404 G HN 0.804 nan 8.290 nan 0.000 0.503 405 D N 0.248 120.648 120.400 0.001 0.000 2.382 405 D HA 0.474 5.114 4.640 -0.001 0.000 0.240 405 D C 0.331 176.628 176.300 -0.004 0.000 1.146 405 D CA 0.303 54.301 54.000 -0.004 0.000 0.897 405 D CB 1.810 42.610 40.800 0.000 0.000 1.197 405 D HN 0.275 nan 8.370 nan 0.000 0.432 406 V N 2.702 122.608 119.914 -0.013 0.000 2.419 406 V HA 0.220 4.340 4.120 -0.001 0.000 0.287 406 V C 0.311 176.391 176.094 -0.023 0.000 1.017 406 V CA -0.711 61.581 62.300 -0.014 0.000 0.844 406 V CB 1.128 32.941 31.823 -0.017 0.000 1.011 406 V HN 0.388 nan 8.190 nan 0.000 0.429 407 I N 5.677 126.240 120.570 -0.012 0.000 2.576 407 I HA 0.114 4.284 4.170 -0.001 0.000 0.288 407 I C 1.276 177.378 176.117 -0.024 0.000 1.126 407 I CA 0.391 61.682 61.300 -0.015 0.000 1.362 407 I CB 0.626 38.636 38.000 0.016 0.000 1.419 407 I HN 0.619 nan 8.210 nan 0.000 0.533 408 I N 4.992 125.534 120.570 -0.047 0.000 2.480 408 I HA 0.099 4.268 4.170 -0.001 0.000 0.251 408 I C 1.274 177.376 176.117 -0.026 0.000 1.124 408 I CA 0.491 61.767 61.300 -0.041 0.000 1.444 408 I CB -0.098 37.867 38.000 -0.059 0.000 1.098 408 I HN 0.712 nan 8.210 nan 0.000 0.428 409 G N -0.049 108.733 108.800 -0.031 0.000 2.559 409 G HA2 0.720 4.680 3.960 -0.001 0.000 0.291 409 G HA3 0.720 4.680 3.960 -0.001 0.000 0.291 409 G C -2.086 172.827 174.900 0.022 0.000 1.424 409 G CA 0.016 45.117 45.100 0.001 0.000 0.786 409 G HN 0.165 nan 8.290 nan 0.000 0.485 410 A N 0.019 122.872 122.820 0.055 0.000 2.459 410 A HA 0.692 5.012 4.320 -0.001 0.000 0.296 410 A C 0.004 177.643 177.584 0.091 0.000 1.039 410 A CA -0.412 51.676 52.037 0.085 0.000 0.698 410 A CB 0.955 20.008 19.000 0.089 0.000 1.261 410 A HN 1.543 nan 8.150 nan 0.000 0.405 411 N N 1.743 120.511 118.700 0.114 0.000 2.727 411 N HA -0.172 4.567 4.740 -0.001 0.000 0.249 411 N C 0.274 175.829 175.510 0.075 0.000 1.048 411 N CA 1.509 54.611 53.050 0.087 0.000 0.714 411 N CB -0.817 37.708 38.487 0.063 0.000 0.959 411 N HN 0.768 nan 8.380 nan 0.000 0.544 412 Q N -3.863 115.996 119.800 0.098 0.000 2.374 412 Q HA -0.255 4.084 4.340 -0.001 0.000 0.218 412 Q C -0.599 175.435 176.000 0.056 0.000 0.691 412 Q CA 1.393 57.242 55.803 0.078 0.000 1.340 412 Q CB -1.524 27.247 28.738 0.054 0.000 1.498 412 Q HN 0.801 nan 8.270 nan 0.000 0.739 413 Q N -0.260 119.572 119.800 0.054 0.000 2.293 413 Q HA 0.696 5.035 4.340 -0.001 0.000 0.261 413 Q C -0.137 175.883 176.000 0.034 0.000 0.960 413 Q CA 0.041 55.867 55.803 0.039 0.000 0.882 413 Q CB 1.728 30.487 28.738 0.035 0.000 1.275 413 Q HN 0.292 nan 8.270 nan 0.000 0.445 414 A N 2.324 125.158 122.820 0.024 0.000 2.477 414 A HA 0.329 4.649 4.320 -0.001 0.000 0.246 414 A C -0.264 177.327 177.584 0.012 0.000 1.078 414 A CA -0.193 51.854 52.037 0.016 0.000 0.770 414 A CB 0.430 19.437 19.000 0.012 0.000 1.011 414 A HN 0.511 nan 8.150 nan 0.000 0.494 415 V N 4.031 123.949 119.914 0.007 0.000 2.407 415 V HA 0.246 4.366 4.120 -0.001 0.000 0.291 415 V C 0.535 176.628 176.094 -0.003 0.000 1.018 415 V CA -0.379 61.923 62.300 0.004 0.000 0.842 415 V CB 1.288 33.115 31.823 0.007 0.000 0.996 415 V HN 1.087 nan 8.190 nan 0.000 0.426 416 K N 3.024 123.422 120.400 -0.004 0.000 2.287 416 K HA 0.216 4.536 4.320 -0.001 0.000 0.199 416 K C 0.377 176.971 176.600 -0.010 0.000 1.061 416 K CA 0.543 56.826 56.287 -0.007 0.000 0.976 416 K CB 0.342 32.839 32.500 -0.005 0.000 0.898 416 K HN 0.853 nan 8.250 nan 0.000 0.492 417 N N -1.321 117.372 118.700 -0.012 0.000 3.157 417 N HA 0.245 4.985 4.740 -0.001 0.000 0.291 417 N C 0.405 175.900 175.510 -0.024 0.000 1.515 417 N CA -0.759 52.280 53.050 -0.018 0.000 0.807 417 N CB 0.359 38.835 38.487 -0.017 0.000 1.672 417 N HN -0.253 nan 8.380 nan 0.000 0.592 418 I N -0.422 120.127 120.570 -0.034 0.000 2.493 418 I HA -0.144 4.025 4.170 -0.001 0.000 0.254 418 I C 2.145 178.234 176.117 -0.046 0.000 1.160 418 I CA 1.282 62.551 61.300 -0.051 0.000 1.445 418 I CB -0.548 37.415 38.000 -0.061 0.000 1.086 418 I HN 0.742 nan 8.210 nan 0.000 0.433 419 A N 0.745 123.545 122.820 -0.032 0.000 1.873 419 A HA -0.190 4.129 4.320 -0.001 0.000 0.215 419 A C 2.244 179.817 177.584 -0.018 0.000 1.186 419 A CA 1.420 53.442 52.037 -0.025 0.000 0.616 419 A CB -0.449 18.540 19.000 -0.019 0.000 0.823 419 A HN 0.390 nan 8.150 nan 0.000 0.442 420 E N -0.687 119.505 120.200 -0.013 0.000 2.110 420 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 420 E C 1.980 178.579 176.600 -0.001 0.000 0.988 420 E CA 1.226 57.624 56.400 -0.004 0.000 0.804 420 E CB -0.294 29.406 29.700 -0.001 0.000 0.745 420 E HN 0.507 nan 8.360 nan 0.000 0.458 421 L N 1.396 122.613 121.223 -0.010 0.000 2.017 421 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 421 L C 2.420 179.282 176.870 -0.012 0.000 1.073 421 L CA 1.762 56.598 54.840 -0.006 0.000 0.745 421 L CB -0.311 41.730 42.059 -0.030 0.000 0.894 421 L HN -0.121 nan 8.230 nan 0.000 0.432 422 R N -0.467 120.011 120.500 -0.036 0.000 2.193 422 R HA -0.116 4.224 4.340 -0.001 0.000 0.229 422 R C 2.149 178.446 176.300 -0.006 0.000 1.110 422 R CA 1.263 57.341 56.100 -0.036 0.000 0.988 422 R CB -0.097 30.174 30.300 -0.048 0.000 0.871 422 R HN 0.364 nan 8.270 nan 0.000 0.458 423 K N -0.764 119.636 120.400 0.000 0.000 2.296 423 K HA -0.011 4.309 4.320 -0.001 0.000 0.200 423 K C 1.636 178.248 176.600 0.020 0.000 1.048 423 K CA 0.913 57.206 56.287 0.009 0.000 0.966 423 K CB 0.337 32.842 32.500 0.007 0.000 0.754 423 K HN 0.064 nan 8.250 nan 0.000 0.466 424 V N 1.497 121.427 119.914 0.027 0.000 2.488 424 V HA -0.142 3.978 4.120 -0.001 0.000 0.246 424 V C 1.997 178.121 176.094 0.051 0.000 1.046 424 V CA 1.229 63.554 62.300 0.041 0.000 1.053 424 V CB -0.258 31.596 31.823 0.052 0.000 0.679 424 V HN 0.247 nan 8.190 nan 0.000 0.458 425 L N -0.286 120.970 121.223 0.055 0.000 2.217 425 L HA -0.086 4.253 4.340 -0.001 0.000 0.211 425 L C 2.132 179.032 176.870 0.049 0.000 1.107 425 L CA 0.957 55.839 54.840 0.069 0.000 0.783 425 L CB -0.644 41.462 42.059 0.077 0.000 0.919 425 L HN 0.309 nan 8.230 nan 0.000 0.442 426 D N -0.608 119.812 120.400 0.033 0.000 2.219 426 D HA -0.167 4.473 4.640 -0.001 0.000 0.205 426 D C 2.338 178.656 176.300 0.029 0.000 0.970 426 D CA 1.185 55.201 54.000 0.027 0.000 0.851 426 D CB 0.048 40.859 40.800 0.019 0.000 0.943 426 D HN 0.106 nan 8.370 nan 0.000 0.488 427 S N -0.050 115.669 115.700 0.031 0.000 2.447 427 S HA -0.126 4.344 4.470 -0.001 0.000 0.233 427 S C 0.402 175.022 174.600 0.032 0.000 1.006 427 S CA 0.392 58.609 58.200 0.029 0.000 0.957 427 S CB -0.226 62.992 63.200 0.030 0.000 0.773 427 S HN 0.146 nan 8.310 nan 0.000 0.507 428 K N 1.447 121.871 120.400 0.040 0.000 3.974 428 K HA -0.101 4.218 4.320 -0.001 0.000 0.280 428 K C -2.664 173.957 176.600 0.036 0.000 0.949 428 K CA 0.470 56.782 56.287 0.042 0.000 0.817 428 K CB -1.237 31.285 32.500 0.037 0.000 1.535 428 K HN 0.464 nan 8.250 nan 0.000 0.444 429 P HA 0.067 nan 4.420 nan 0.000 0.277 429 P C 0.784 178.100 177.300 0.027 0.000 1.240 429 P CA -0.332 62.786 63.100 0.031 0.000 0.798 429 P CB 1.477 33.198 31.700 0.034 0.000 0.979 430 S N 1.520 117.231 115.700 0.019 0.000 2.368 430 S HA -0.069 4.401 4.470 -0.001 0.000 0.225 430 S C 0.972 175.578 174.600 0.010 0.000 1.030 430 S CA 0.719 58.927 58.200 0.014 0.000 0.999 430 S CB -0.618 62.588 63.200 0.010 0.000 0.844 430 S HN 0.443 nan 8.310 nan 0.000 0.459 431 V N 1.440 121.360 119.914 0.010 0.000 2.540 431 V HA 0.704 4.824 4.120 -0.001 0.000 0.302 431 V C -1.194 174.909 176.094 0.014 0.000 1.035 431 V CA -1.227 61.076 62.300 0.005 0.000 0.873 431 V CB 1.664 33.486 31.823 -0.001 0.000 0.992 431 V HN 0.454 nan 8.190 nan 0.000 0.428 432 L N 6.752 127.980 121.223 0.009 0.000 2.282 432 L HA 0.897 5.237 4.340 -0.001 0.000 0.288 432 L C 0.135 177.027 176.870 0.037 0.000 1.033 432 L CA 0.045 54.902 54.840 0.028 0.000 0.807 432 L CB 1.371 43.441 42.059 0.019 0.000 1.209 432 L HN 0.849 nan 8.230 nan 0.000 0.423 433 A N 6.800 129.666 122.820 0.077 0.000 2.360 433 A HA 0.590 4.910 4.320 -0.001 0.000 0.309 433 A C -0.914 176.785 177.584 0.192 0.000 1.311 433 A CA -0.507 51.614 52.037 0.140 0.000 0.805 433 A CB -0.000 19.080 19.000 0.133 0.000 1.144 433 A HN 0.685 nan 8.150 nan 0.000 0.486 434 L N 2.133 123.440 121.223 0.140 0.000 2.290 434 L HA 0.266 4.605 4.340 -0.001 0.000 0.284 434 L C 0.500 177.325 176.870 -0.075 0.000 1.078 434 L CA -0.628 54.250 54.840 0.063 0.000 0.815 434 L CB 0.870 42.955 42.059 0.044 0.000 1.162 434 L HN 0.706 nan 8.230 nan 0.000 0.435 435 N N 5.066 123.640 118.700 -0.211 0.000 3.229 435 N HA 0.232 4.972 4.740 -0.001 0.000 0.275 435 N C -0.336 174.986 175.510 -0.314 0.000 1.225 435 N CA -0.404 52.300 53.050 -0.575 0.000 1.119 435 N CB 0.063 38.250 38.487 -0.499 0.000 1.392 435 N HN 0.554 nan 8.380 nan 0.000 0.520 436 I N -0.900 119.528 120.570 -0.236 0.000 3.244 436 I HA 0.434 4.603 4.170 -0.001 0.000 0.314 436 I C -0.536 175.506 176.117 -0.124 0.000 1.043 436 I CA -0.774 60.451 61.300 -0.126 0.000 1.099 436 I CB 1.145 39.106 38.000 -0.064 0.000 1.449 436 I HN 0.313 nan 8.210 nan 0.000 0.625 437 Q N 2.155 121.912 119.800 -0.073 0.000 2.269 437 Q HA 0.505 4.845 4.340 -0.001 0.000 0.263 437 Q C -1.634 174.347 176.000 -0.032 0.000 0.983 437 Q CA -0.829 54.941 55.803 -0.056 0.000 0.777 437 Q CB 1.640 30.348 28.738 -0.051 0.000 1.273 437 Q HN 0.647 nan 8.270 nan 0.000 0.440 438 R N 1.977 122.462 120.500 -0.025 0.000 2.207 438 R HA 0.543 4.883 4.340 -0.001 0.000 0.334 438 R C 0.746 177.040 176.300 -0.010 0.000 1.013 438 R CA 0.382 56.474 56.100 -0.014 0.000 0.858 438 R CB 1.309 31.604 30.300 -0.009 0.000 1.094 438 R HN 1.020 nan 8.270 nan 0.000 0.457 439 G N 3.053 111.848 108.800 -0.009 0.000 2.629 439 G HA2 -0.464 3.495 3.960 -0.001 0.000 0.313 439 G HA3 -0.464 3.495 3.960 -0.001 0.000 0.313 439 G C 0.564 175.459 174.900 -0.008 0.000 1.217 439 G CA 0.914 46.010 45.100 -0.007 0.000 0.994 439 G HN 0.700 nan 8.290 nan 0.000 0.549 440 D N 0.735 121.132 120.400 -0.005 0.000 2.349 440 D HA 0.337 4.976 4.640 -0.001 0.000 0.215 440 D C 1.139 177.436 176.300 -0.005 0.000 1.016 440 D CA 1.075 55.072 54.000 -0.005 0.000 0.870 440 D CB 0.040 40.839 40.800 -0.002 0.000 0.917 440 D HN 0.390 nan 8.370 nan 0.000 0.524 441 S N -0.896 114.800 115.700 -0.006 0.000 2.608 441 S HA 0.489 4.959 4.470 -0.001 0.000 0.291 441 S C -0.303 174.288 174.600 -0.016 0.000 1.146 441 S CA -0.727 57.470 58.200 -0.005 0.000 1.043 441 S CB 1.962 65.163 63.200 0.001 0.000 1.037 441 S HN -0.002 nan 8.310 nan 0.000 0.520 442 T N 2.995 117.540 114.554 -0.014 0.000 2.771 442 T HA 0.626 4.975 4.350 -0.001 0.000 0.281 442 T C 0.015 174.698 174.700 -0.029 0.000 0.982 442 T CA -0.448 61.626 62.100 -0.043 0.000 0.978 442 T CB 0.014 68.857 68.868 -0.041 0.000 0.930 442 T HN 0.597 nan 8.240 nan 0.000 0.447 443 I N 0.153 120.675 120.570 -0.080 0.000 3.322 443 I HA 0.785 4.955 4.170 -0.001 0.000 0.313 443 I C -1.798 174.235 176.117 -0.139 0.000 1.129 443 I CA -1.440 59.850 61.300 -0.016 0.000 0.963 443 I CB 2.107 40.112 38.000 0.010 0.000 1.273 443 I HN 0.455 nan 8.210 nan 0.000 0.473 444 Y N 1.317 121.618 120.300 0.002 0.000 2.512 444 Y HA 0.708 5.258 4.550 -0.001 0.000 0.348 444 Y C -0.857 175.040 175.900 -0.005 0.000 0.990 444 Y CA -0.657 57.443 58.100 0.001 0.000 1.033 444 Y CB 2.362 40.822 38.460 -0.000 0.000 1.259 444 Y HN 0.337 nan 8.280 nan 0.000 0.461 445 L N 4.383 125.689 121.223 0.139 0.000 2.381 445 L HA 0.560 4.900 4.340 -0.001 0.000 0.274 445 L C -1.188 175.718 176.870 0.060 0.000 0.988 445 L CA -0.663 54.217 54.840 0.067 0.000 0.824 445 L CB 1.714 43.782 42.059 0.013 0.000 1.263 445 L HN 0.447 nan 8.230 nan 0.000 0.410 446 L N 3.874 125.115 121.223 0.029 0.000 2.325 446 L HA 0.635 4.974 4.340 -0.001 0.000 0.278 446 L C -0.422 176.429 176.870 -0.031 0.000 1.023 446 L CA -0.376 54.469 54.840 0.009 0.000 0.811 446 L CB 1.864 43.927 42.059 0.007 0.000 1.249 446 L HN 0.563 nan 8.230 nan 0.000 0.431 447 M N 2.709 122.284 119.600 -0.043 0.000 2.327 447 M HA 0.456 4.936 4.480 -0.001 0.000 0.298 447 M C -0.717 175.556 176.300 -0.045 0.000 1.065 447 M CA -0.507 54.749 55.300 -0.073 0.000 0.916 447 M CB 2.191 34.709 32.600 -0.137 0.000 1.630 447 M HN 0.646 nan 8.290 nan 0.000 0.442 448 Q N 0.000 119.775 119.800 -0.041 0.000 2.315 448 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 448 Q CA 0.000 55.789 55.803 -0.024 0.000 1.022 448 Q CB 0.000 28.728 28.738 -0.016 0.000 1.108 448 Q HN 0.000 nan 8.270 nan 0.000 0.481