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 2nxw_1_A DATA FIRST_RESID -6 DATA SEQUENCE LVPRGSHMKL AEALLRALKD RGAQAMFGIP GDFALPFFKV AEETQILPLH DATA SEQUENCE TLSHEPAVGF AADAAARYSS TLGVAAVTYG AGAFNMVNAV AGAYAEKSPV DATA SEQUENCE VVISGAPGTT EGXXGLLLXX XXXXXDTQFQ VFKEITVAQA RLDDPAKAPA DATA SEQUENCE EIARVLGAAR AQSRPVYLEI PRNMVNAEVE PVGDDPAWPV DRDALAACAD DATA SEQUENCE EVLAAMRSAT SPVLMVCVEV RRYGLEAKVA ELAQRLGVPV VTTFMGRGLL DATA SEQUENCE ADAPTPPLGT YIGVAGDAEI TRLVEESDGL FLLGAILSDT NFAVSQRKID DATA SEQUENCE LRKTIHAFDR AVTLGYHTYA DIPLAGLVDA LLERLPPSDR TTRGKEPHAY DATA SEQUENCE PTGLQADGEP IAPMDIARAV NDRVRAGQEP LLIAADMGDC LFTAMDMIDA DATA SEQUENCE GLMAPGYYAG MGFGVPAGIG AQCVSGGKRI LTVVGDGAFQ MTGWELGNCR DATA SEQUENCE RLGIDPIVIL FNNASWEMLR TFQPESAFND LDDWRFADMA AGMGGDGVRV DATA SEQUENCE RTRAELKAAL DKAFATRGRF QLIEAMIPRG VLSDTLARFV QGQKRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -6 L HA 0.000 nan 4.340 nan 0.000 0.249 -6 L C 0.000 176.861 176.870 -0.015 0.000 1.165 -6 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 -6 L CB 0.000 42.051 42.059 -0.014 0.000 0.961 -5 V N 2.424 122.329 119.914 -0.015 0.000 2.585 -5 V HA 0.132 4.252 4.120 0.000 0.000 0.296 -5 V C -1.822 174.259 176.094 -0.021 0.000 1.035 -5 V CA -0.830 61.460 62.300 -0.017 0.000 1.084 -5 V CB 0.481 32.295 31.823 -0.015 0.000 0.953 -5 V HN 0.546 nan 8.190 nan 0.000 0.483 -4 P HA 0.348 nan 4.420 nan 0.000 0.268 -4 P C -0.497 176.779 177.300 -0.041 0.000 1.205 -4 P CA -0.140 62.941 63.100 -0.032 0.000 0.771 -4 P CB 0.519 32.201 31.700 -0.030 0.000 0.858 -3 R N 0.819 121.285 120.500 -0.057 0.000 2.561 -3 R HA 0.628 4.968 4.340 0.000 0.000 0.266 -3 R C 0.567 176.792 176.300 -0.124 0.000 1.091 -3 R CA -0.341 55.715 56.100 -0.074 0.000 0.927 -3 R CB 0.785 31.055 30.300 -0.050 0.000 1.240 -3 R HN 0.937 nan 8.270 nan 0.000 0.449 -2 G N 0.196 108.867 108.800 -0.215 0.000 2.195 -2 G HA2 -0.352 3.609 3.960 0.000 0.000 0.224 -2 G HA3 -0.352 3.609 3.960 0.000 0.000 0.224 -2 G C 1.084 175.624 174.900 -0.599 0.000 0.990 -2 G CA 0.982 45.844 45.100 -0.395 0.000 0.639 -2 G HN 1.239 nan 8.290 nan 0.000 0.514 -1 S N 0.196 115.688 115.700 -0.347 0.000 2.453 -1 S HA 0.025 4.495 4.470 0.000 0.000 0.231 -1 S C 1.333 175.840 174.600 -0.155 0.000 1.005 -1 S CA 1.320 59.395 58.200 -0.208 0.000 0.949 -1 S CB -0.510 62.636 63.200 -0.089 0.000 0.774 -1 S HN 1.237 nan 8.310 nan 0.000 0.510 0 H N -0.643 118.426 119.070 -0.003 0.000 2.899 0 H HA -0.131 4.425 4.556 0.000 0.000 0.282 0 H C -0.294 175.031 175.328 -0.005 0.000 1.198 0 H CA 1.315 57.361 56.048 -0.004 0.000 1.140 0 H CB -2.045 27.714 29.762 -0.005 0.000 1.317 0 H HN 0.578 nan 8.280 nan 0.000 0.375 1 M N 0.948 120.577 119.600 0.048 0.000 2.151 1 M HA 0.344 4.824 4.480 0.000 0.000 0.290 1 M C -0.578 175.733 176.300 0.018 0.000 0.965 1 M CA -0.356 54.964 55.300 0.033 0.000 0.930 1 M CB 1.178 33.791 32.600 0.021 0.000 1.560 1 M HN 0.055 nan 8.290 nan 0.000 0.438 2 K N 3.563 123.976 120.400 0.021 0.000 2.295 2 K HA 0.169 4.489 4.320 0.000 0.000 0.270 2 K C 0.990 177.605 176.600 0.026 0.000 1.011 2 K CA -0.294 56.006 56.287 0.022 0.000 0.953 2 K CB 0.840 33.353 32.500 0.021 0.000 0.956 2 K HN 0.852 nan 8.250 nan 0.000 0.477 3 L N 2.552 123.795 121.223 0.032 0.000 2.013 3 L HA -0.294 4.046 4.340 0.000 0.000 0.212 3 L C 2.178 179.090 176.870 0.069 0.000 1.073 3 L CA 2.005 56.868 54.840 0.038 0.000 0.753 3 L CB -0.334 41.744 42.059 0.033 0.000 0.890 3 L HN 0.902 nan 8.230 nan 0.000 0.432 4 A N -0.426 122.459 122.820 0.108 0.000 1.940 4 A HA -0.255 4.066 4.320 0.000 0.000 0.219 4 A C 2.041 179.671 177.584 0.076 0.000 1.176 4 A CA 1.941 54.091 52.037 0.189 0.000 0.631 4 A CB -0.593 18.526 19.000 0.198 0.000 0.814 4 A HN 0.659 nan 8.150 nan 0.000 0.446 5 E N -0.209 120.001 120.200 0.016 0.000 2.072 5 E HA -0.084 4.266 4.350 0.000 0.000 0.191 5 E C 2.321 178.922 176.600 0.003 0.000 0.985 5 E CA 0.887 57.278 56.400 -0.015 0.000 0.801 5 E CB -0.316 29.375 29.700 -0.015 0.000 0.750 5 E HN 0.618 nan 8.360 nan 0.000 0.452 6 A N 1.422 124.253 122.820 0.018 0.000 1.933 6 A HA -0.173 4.147 4.320 0.000 0.000 0.218 6 A C 2.189 179.787 177.584 0.022 0.000 1.175 6 A CA 1.110 53.156 52.037 0.016 0.000 0.628 6 A CB -0.487 18.522 19.000 0.016 0.000 0.814 6 A HN 0.226 nan 8.150 nan 0.000 0.444 7 L N -0.268 120.981 121.223 0.043 0.000 2.027 7 L HA -0.052 4.288 4.340 0.000 0.000 0.206 7 L C 2.252 179.149 176.870 0.046 0.000 1.074 7 L CA 1.652 56.522 54.840 0.051 0.000 0.745 7 L CB -0.576 41.535 42.059 0.086 0.000 0.898 7 L HN 0.383 nan 8.230 nan 0.000 0.433 8 L N -0.705 120.544 121.223 0.043 0.000 2.042 8 L HA -0.213 4.127 4.340 0.000 0.000 0.210 8 L C 2.789 179.651 176.870 -0.014 0.000 1.076 8 L CA 1.425 56.264 54.840 -0.001 0.000 0.749 8 L CB -0.520 41.500 42.059 -0.065 0.000 0.893 8 L HN 0.255 nan 8.230 nan 0.000 0.432 9 R N -0.253 120.240 120.500 -0.011 0.000 2.092 9 R HA -0.098 4.242 4.340 0.000 0.000 0.231 9 R C 2.445 178.743 176.300 -0.002 0.000 1.119 9 R CA 1.206 57.299 56.100 -0.011 0.000 0.970 9 R CB -0.449 29.846 30.300 -0.008 0.000 0.864 9 R HN 0.346 nan 8.270 nan 0.000 0.440 10 A N 1.140 123.963 122.820 0.006 0.000 1.933 10 A HA -0.120 4.201 4.320 0.000 0.000 0.218 10 A C 2.132 179.722 177.584 0.010 0.000 1.175 10 A CA 1.132 53.175 52.037 0.009 0.000 0.628 10 A CB -0.424 18.584 19.000 0.014 0.000 0.814 10 A HN 0.166 nan 8.150 nan 0.000 0.444 11 L N -0.813 120.416 121.223 0.009 0.000 2.056 11 L HA -0.149 4.191 4.340 0.000 0.000 0.207 11 L C 2.607 179.479 176.870 0.004 0.000 1.078 11 L CA 1.818 56.664 54.840 0.010 0.000 0.749 11 L CB -0.369 41.697 42.059 0.012 0.000 0.901 11 L HN 0.426 nan 8.230 nan 0.000 0.433 12 K N 0.082 120.478 120.400 -0.005 0.000 2.097 12 K HA -0.203 4.117 4.320 0.000 0.000 0.206 12 K C 1.596 178.196 176.600 -0.001 0.000 1.049 12 K CA 1.622 57.903 56.287 -0.009 0.000 0.933 12 K CB 0.006 32.493 32.500 -0.021 0.000 0.717 12 K HN 0.234 nan 8.250 nan 0.000 0.442 13 D N 0.463 120.863 120.400 0.001 0.000 2.218 13 D HA -0.128 4.512 4.640 0.000 0.000 0.204 13 D C 1.283 177.587 176.300 0.007 0.000 0.976 13 D CA 1.083 55.085 54.000 0.004 0.000 0.853 13 D CB 0.043 40.846 40.800 0.005 0.000 0.939 13 D HN 0.243 nan 8.370 nan 0.000 0.481 14 R N -0.819 119.687 120.500 0.010 0.000 2.388 14 R HA 0.275 4.615 4.340 0.000 0.000 0.247 14 R C 1.146 177.456 176.300 0.017 0.000 0.931 14 R CA 0.440 56.548 56.100 0.013 0.000 1.082 14 R CB 0.691 31.000 30.300 0.015 0.000 1.135 14 R HN 0.143 nan 8.270 nan 0.000 0.525 15 G N 0.217 109.027 108.800 0.017 0.000 2.195 15 G HA2 -0.285 3.675 3.960 0.000 0.000 0.224 15 G HA3 -0.285 3.675 3.960 0.000 0.000 0.224 15 G C 0.311 175.229 174.900 0.029 0.000 0.990 15 G CA -0.184 44.929 45.100 0.023 0.000 0.639 15 G HN 0.476 nan 8.290 nan 0.000 0.514 16 A N -0.022 122.812 122.820 0.025 0.000 2.531 16 A HA 0.544 4.865 4.320 0.000 0.000 0.236 16 A C 1.086 178.678 177.584 0.013 0.000 1.062 16 A CA 1.482 53.535 52.037 0.028 0.000 0.760 16 A CB 0.190 19.200 19.000 0.017 0.000 0.995 16 A HN 0.575 nan 8.150 nan 0.000 0.501 17 Q N 0.236 120.050 119.800 0.023 0.000 2.246 17 Q HA 0.460 4.800 4.340 0.000 0.000 0.222 17 Q C 0.147 176.114 176.000 -0.054 0.000 0.851 17 Q CA 0.653 56.459 55.803 0.004 0.000 0.945 17 Q CB 0.701 29.467 28.738 0.047 0.000 1.122 17 Q HN 0.972 nan 8.270 nan 0.000 0.508 18 A N 0.761 123.520 122.820 -0.101 0.000 2.566 18 A HA 0.685 5.005 4.320 0.000 0.000 0.290 18 A C -2.005 175.384 177.584 -0.325 0.000 1.071 18 A CA -0.681 51.181 52.037 -0.292 0.000 0.658 18 A CB 1.195 19.968 19.000 -0.377 0.000 1.285 18 A HN 0.131 nan 8.150 nan 0.000 0.427 19 M N 1.102 120.411 119.600 -0.485 0.000 2.204 19 M HA 0.707 5.187 4.480 0.000 0.000 0.293 19 M C -2.103 173.948 176.300 -0.414 0.000 0.994 19 M CA -0.341 54.769 55.300 -0.317 0.000 0.925 19 M CB 0.851 33.312 32.600 -0.232 0.000 1.577 19 M HN 0.581 nan 8.290 nan 0.000 0.439 20 F N 2.553 122.522 119.950 0.032 0.000 2.397 20 F HA 0.914 5.442 4.527 0.001 0.000 0.331 20 F C 0.864 176.729 175.800 0.108 0.000 1.090 20 F CA -0.163 57.893 58.000 0.093 0.000 1.065 20 F CB 2.019 41.079 39.000 0.100 0.000 1.184 20 F HN 0.652 nan 8.300 nan 0.000 0.499 21 G N 1.708 110.725 108.800 0.360 0.000 2.466 21 G HA2 0.592 4.552 3.960 0.000 0.000 0.291 21 G HA3 0.592 4.552 3.960 0.000 0.000 0.291 21 G C -2.141 173.042 174.900 0.471 0.000 1.460 21 G CA -0.765 44.596 45.100 0.435 0.000 0.791 21 G HN 0.529 nan 8.290 nan 0.000 0.505 22 I N 2.190 123.000 120.570 0.400 0.000 2.478 22 I HA 0.389 4.559 4.170 0.000 0.000 0.287 22 I C -2.154 173.868 176.117 -0.159 0.000 1.042 22 I CA -2.040 59.341 61.300 0.135 0.000 1.067 22 I CB 3.240 41.310 38.000 0.116 0.000 1.233 22 I HN 0.298 nan 8.210 nan 0.000 0.431 23 P HA 0.487 nan 4.420 nan 0.000 0.277 23 P C -0.457 176.637 177.300 -0.343 0.000 1.271 23 P CA -0.146 62.394 63.100 -0.933 0.000 0.795 23 P CB 1.742 32.771 31.700 -1.118 0.000 1.101 24 G N -0.619 108.031 108.800 -0.250 0.000 2.576 24 G HA2 0.233 4.193 3.960 0.000 0.000 0.290 24 G HA3 0.233 4.193 3.960 0.000 0.000 0.290 24 G C -0.169 174.674 174.900 -0.096 0.000 1.442 24 G CA -0.444 44.593 45.100 -0.105 0.000 0.792 24 G HN 0.268 nan 8.290 nan 0.000 0.491 25 D N -0.222 120.093 120.400 -0.142 0.000 2.160 25 D HA -0.164 4.476 4.640 0.000 0.000 0.189 25 D C 2.017 178.205 176.300 -0.186 0.000 1.003 25 D CA 1.851 55.708 54.000 -0.238 0.000 0.846 25 D CB -0.192 40.337 40.800 -0.452 0.000 0.949 25 D HN 0.358 nan 8.370 nan 0.000 0.446 26 F N -0.050 119.921 119.950 0.035 0.000 2.365 26 F HA 0.008 4.535 4.527 0.000 0.000 0.300 26 F C 2.211 178.048 175.800 0.062 0.000 1.090 26 F CA 0.625 58.648 58.000 0.037 0.000 1.408 26 F CB 0.066 39.089 39.000 0.039 0.000 1.060 26 F HN -0.037 nan 8.300 nan 0.000 0.534 27 A N -0.570 122.384 122.820 0.223 0.000 2.348 27 A HA 0.212 4.532 4.320 0.000 0.000 0.224 27 A C 1.900 179.653 177.584 0.280 0.000 1.227 27 A CA -0.098 52.103 52.037 0.273 0.000 0.885 27 A CB -0.503 18.664 19.000 0.278 0.000 0.933 27 A HN 0.337 nan 8.150 nan 0.000 0.506 28 L N -0.055 121.239 121.223 0.119 0.000 2.012 28 L HA -0.147 4.194 4.340 0.000 0.000 0.210 28 L C -0.483 176.491 176.870 0.173 0.000 1.073 28 L CA 1.734 56.630 54.840 0.092 0.000 0.748 28 L CB -1.320 40.747 42.059 0.013 0.000 0.891 28 L HN 0.221 nan 8.230 nan 0.000 0.431 29 P HA -0.223 nan 4.420 nan 0.000 0.216 29 P C 1.511 178.926 177.300 0.191 0.000 1.150 29 P CA 1.383 64.573 63.100 0.149 0.000 0.837 29 P CB -0.048 31.733 31.700 0.134 0.000 0.786 30 F N -0.994 119.040 119.950 0.141 0.000 2.146 30 F HA -0.129 4.399 4.527 0.001 0.000 0.298 30 F C 1.893 177.759 175.800 0.109 0.000 1.096 30 F CA 1.366 59.432 58.000 0.109 0.000 1.275 30 F CB -0.793 38.279 39.000 0.119 0.000 1.008 30 F HN -0.226 nan 8.300 nan 0.000 0.480 31 F N 0.989 120.931 119.950 -0.013 0.000 2.293 31 F HA -0.097 4.431 4.527 0.002 0.000 0.300 31 F C 2.477 178.187 175.800 -0.150 0.000 1.086 31 F CA 1.580 59.512 58.000 -0.113 0.000 1.375 31 F CB -0.801 38.211 39.000 0.020 0.000 1.045 31 F HN -0.044 nan 8.300 nan 0.000 0.516 32 K N 0.336 120.783 120.400 0.079 0.000 2.026 32 K HA -0.133 4.187 4.320 0.000 0.000 0.208 32 K C 2.016 178.570 176.600 -0.076 0.000 1.048 32 K CA 1.522 57.816 56.287 0.011 0.000 0.929 32 K CB -0.293 32.224 32.500 0.029 0.000 0.713 32 K HN 0.094 nan 8.250 nan 0.000 0.439 33 V N 1.416 121.248 119.914 -0.137 0.000 2.343 33 V HA -0.241 3.879 4.120 0.000 0.000 0.247 33 V C 2.481 178.417 176.094 -0.264 0.000 1.051 33 V CA 1.967 64.157 62.300 -0.183 0.000 1.036 33 V CB -0.731 30.973 31.823 -0.199 0.000 0.654 33 V HN 0.519 nan 8.190 nan 0.000 0.451 34 A N -0.395 122.167 122.820 -0.429 0.000 1.902 34 A HA -0.292 4.029 4.320 0.000 0.000 0.217 34 A C 2.308 179.737 177.584 -0.258 0.000 1.181 34 A CA 2.135 53.914 52.037 -0.430 0.000 0.623 34 A CB -0.512 18.104 19.000 -0.640 0.000 0.818 34 A HN 0.634 nan 8.150 nan 0.000 0.443 35 E N -0.391 119.700 120.200 -0.183 0.000 2.072 35 E HA -0.195 4.155 4.350 0.000 0.000 0.191 35 E C 1.925 178.471 176.600 -0.090 0.000 0.985 35 E CA 1.240 57.576 56.400 -0.108 0.000 0.801 35 E CB -0.107 29.568 29.700 -0.041 0.000 0.750 35 E HN 0.745 nan 8.360 nan 0.000 0.452 36 E N -0.507 119.643 120.200 -0.085 0.000 2.107 36 E HA -0.123 4.227 4.350 0.000 0.000 0.191 36 E C 2.143 178.700 176.600 -0.072 0.000 0.982 36 E CA 1.631 57.992 56.400 -0.065 0.000 0.809 36 E CB 0.081 29.750 29.700 -0.051 0.000 0.756 36 E HN 0.398 nan 8.360 nan 0.000 0.459 37 T N -1.964 112.532 114.554 -0.096 0.000 3.014 37 T HA -0.075 4.275 4.350 0.000 0.000 0.263 37 T C 0.927 175.571 174.700 -0.094 0.000 1.078 37 T CA 0.135 62.182 62.100 -0.089 0.000 1.135 37 T CB 0.219 69.028 68.868 -0.099 0.000 0.895 37 T HN -0.077 nan 8.240 nan 0.000 0.480 38 Q N 0.020 119.750 119.800 -0.118 0.000 2.461 38 Q HA -0.177 4.163 4.340 0.000 0.000 0.273 38 Q C 1.065 176.995 176.000 -0.116 0.000 1.163 38 Q CA 0.591 56.322 55.803 -0.121 0.000 0.929 38 Q CB -2.392 26.292 28.738 -0.091 0.000 1.334 38 Q HN 0.683 nan 8.270 nan 0.000 0.499 39 I N -0.767 119.730 120.570 -0.122 0.000 2.286 39 I HA -0.172 3.998 4.170 0.000 0.000 0.248 39 I C 1.175 177.226 176.117 -0.110 0.000 1.115 39 I CA 1.203 62.443 61.300 -0.100 0.000 1.392 39 I CB 0.129 38.073 38.000 -0.094 0.000 1.065 39 I HN 0.124 nan 8.210 nan 0.000 0.418 40 L N 0.155 121.287 121.223 -0.152 0.000 2.386 40 L HA 0.420 4.760 4.340 0.000 0.000 0.271 40 L C -2.515 174.206 176.870 -0.249 0.000 0.993 40 L CA -2.043 52.692 54.840 -0.175 0.000 0.819 40 L CB 1.812 43.766 42.059 -0.175 0.000 1.294 40 L HN -0.295 nan 8.230 nan 0.000 0.414 41 P HA 0.036 nan 4.420 nan 0.000 0.264 41 P C -0.927 175.978 177.300 -0.659 0.000 1.193 41 P CA -0.163 62.687 63.100 -0.417 0.000 0.763 41 P CB 0.527 31.997 31.700 -0.384 0.000 0.810 42 L N 5.833 126.722 121.223 -0.557 0.000 2.265 42 L HA 0.348 4.688 4.340 0.000 0.000 0.289 42 L C -0.726 175.881 176.870 -0.439 0.000 1.033 42 L CA -0.046 54.509 54.840 -0.476 0.000 0.814 42 L CB -0.086 41.810 42.059 -0.271 0.000 1.203 42 L HN 0.380 nan 8.230 nan 0.000 0.423 43 H N 3.100 122.060 119.070 -0.184 0.000 2.539 43 H HA 0.456 5.012 4.556 -0.000 0.000 0.332 43 H C -0.199 175.189 175.328 0.099 0.000 1.031 43 H CA -0.481 55.528 56.048 -0.065 0.000 1.206 43 H CB 1.325 30.997 29.762 -0.150 0.000 1.446 43 H HN 0.674 nan 8.280 nan 0.000 0.496 44 T N 1.490 116.199 114.554 0.258 0.000 2.928 44 T HA 0.730 5.081 4.350 0.000 0.000 0.284 44 T C 0.415 175.255 174.700 0.234 0.000 1.008 44 T CA -0.753 61.501 62.100 0.257 0.000 1.057 44 T CB 1.356 70.351 68.868 0.211 0.000 1.018 44 T HN 0.322 nan 8.240 nan 0.000 0.493 45 L N 0.480 121.833 121.223 0.217 0.000 2.183 45 L HA 0.466 4.807 4.340 0.000 0.000 0.253 45 L C 1.374 178.333 176.870 0.149 0.000 1.048 45 L CA -1.139 53.804 54.840 0.171 0.000 0.890 45 L CB 1.812 43.968 42.059 0.162 0.000 1.476 45 L HN 0.736 nan 8.230 nan 0.000 0.455 46 S N -2.411 113.372 115.700 0.140 0.000 2.388 46 S HA 0.021 4.491 4.470 0.000 0.000 0.223 46 S C 0.190 174.901 174.600 0.186 0.000 1.034 46 S CA 0.646 58.928 58.200 0.136 0.000 0.963 46 S CB -0.002 63.272 63.200 0.123 0.000 0.827 46 S HN 0.490 nan 8.310 nan 0.000 0.481 47 H N -0.327 118.790 119.070 0.080 0.000 2.717 47 H HA 0.255 4.811 4.556 0.000 0.000 0.366 47 H C -0.019 175.344 175.328 0.059 0.000 1.132 47 H CA -0.569 55.523 56.048 0.073 0.000 1.180 47 H CB 1.499 31.312 29.762 0.086 0.000 1.678 47 H HN -0.066 nan 8.280 nan 0.000 0.537 48 E N 2.808 123.034 120.200 0.042 0.000 2.160 48 E HA -0.129 4.221 4.350 0.000 0.000 0.195 48 E C -1.321 175.181 176.600 -0.163 0.000 0.991 48 E CA 1.384 57.760 56.400 -0.040 0.000 0.810 48 E CB -0.732 28.955 29.700 -0.020 0.000 0.742 48 E HN 0.555 nan 8.360 nan 0.000 0.466 49 P HA -0.207 nan 4.420 nan 0.000 0.216 49 P C 1.001 178.081 177.300 -0.367 0.000 1.153 49 P CA 2.035 64.885 63.100 -0.416 0.000 0.858 49 P CB -0.014 31.528 31.700 -0.262 0.000 0.789 50 A N -0.850 121.941 122.820 -0.048 0.000 1.972 50 A HA -0.140 4.180 4.320 0.000 0.000 0.219 50 A C 2.297 179.854 177.584 -0.044 0.000 1.169 50 A CA 1.526 53.593 52.037 0.050 0.000 0.635 50 A CB -1.664 17.378 19.000 0.070 0.000 0.810 50 A HN 0.022 nan 8.150 nan 0.000 0.446 51 V N -0.142 119.755 119.914 -0.028 0.000 2.295 51 V HA -0.196 3.924 4.120 0.000 0.000 0.246 51 V C 2.810 178.867 176.094 -0.062 0.000 1.049 51 V CA 2.061 64.372 62.300 0.018 0.000 1.024 51 V CB -1.377 30.509 31.823 0.105 0.000 0.648 51 V HN 0.599 nan 8.190 nan 0.000 0.447 52 G N -0.773 107.947 108.800 -0.133 0.000 2.404 52 G HA2 -0.210 3.751 3.960 0.000 0.000 0.215 52 G HA3 -0.210 3.751 3.960 0.000 0.000 0.215 52 G C 1.410 176.245 174.900 -0.110 0.000 1.174 52 G CA 0.741 45.752 45.100 -0.149 0.000 0.780 52 G HN 0.427 nan 8.290 nan 0.000 0.537 53 F N 1.849 121.739 119.950 -0.099 0.000 2.171 53 F HA 0.100 4.627 4.527 -0.000 0.000 0.300 53 F C 2.996 178.581 175.800 -0.358 0.000 1.090 53 F CA 0.403 58.296 58.000 -0.179 0.000 1.293 53 F CB -0.825 38.027 39.000 -0.248 0.000 1.013 53 F HN 0.252 nan 8.300 nan 0.000 0.486 54 A N -0.017 122.637 122.820 -0.276 0.000 1.898 54 A HA -0.003 4.317 4.320 0.000 0.000 0.216 54 A C 2.455 179.588 177.584 -0.752 0.000 1.181 54 A CA 1.726 53.352 52.037 -0.684 0.000 0.620 54 A CB -1.264 17.085 19.000 -1.085 0.000 0.819 54 A HN 0.283 nan 8.150 nan 0.000 0.442 55 A N -0.095 122.439 122.820 -0.477 0.000 1.902 55 A HA -0.189 4.131 4.320 0.000 0.000 0.217 55 A C 1.911 179.509 177.584 0.024 0.000 1.181 55 A CA 2.077 54.082 52.037 -0.054 0.000 0.623 55 A CB -0.595 18.482 19.000 0.128 0.000 0.818 55 A HN 0.516 nan 8.150 nan 0.000 0.443 56 D N 0.185 120.601 120.400 0.027 0.000 2.097 56 D HA -0.086 4.554 4.640 0.000 0.000 0.195 56 D C 2.096 178.459 176.300 0.106 0.000 0.989 56 D CA 1.789 55.856 54.000 0.112 0.000 0.827 56 D CB -0.344 40.595 40.800 0.232 0.000 0.966 56 D HN 0.308 nan 8.370 nan 0.000 0.456 57 A N 0.686 123.516 122.820 0.018 0.000 1.908 57 A HA -0.014 4.306 4.320 0.000 0.000 0.218 57 A C 2.423 180.050 177.584 0.073 0.000 1.181 57 A CA 2.552 54.594 52.037 0.008 0.000 0.627 57 A CB -0.981 17.904 19.000 -0.192 0.000 0.818 57 A HN 0.339 nan 8.150 nan 0.000 0.445 58 A N -0.229 122.625 122.820 0.057 0.000 1.933 58 A HA 0.173 4.493 4.320 0.000 0.000 0.218 58 A C 2.495 180.189 177.584 0.183 0.000 1.175 58 A CA 2.038 54.176 52.037 0.168 0.000 0.628 58 A CB -0.958 18.233 19.000 0.318 0.000 0.814 58 A HN 1.037 nan 8.150 nan 0.000 0.444 59 A N -0.080 122.824 122.820 0.141 0.000 1.877 59 A HA -0.156 4.165 4.320 0.000 0.000 0.216 59 A C 2.254 179.894 177.584 0.092 0.000 1.186 59 A CA 1.493 53.595 52.037 0.109 0.000 0.620 59 A CB -0.459 18.591 19.000 0.084 0.000 0.822 59 A HN 0.549 nan 8.150 nan 0.000 0.443 60 R N -2.308 118.252 120.500 0.100 0.000 2.092 60 R HA -0.130 4.211 4.340 0.000 0.000 0.231 60 R C 2.146 178.488 176.300 0.069 0.000 1.119 60 R CA 1.558 57.699 56.100 0.068 0.000 0.970 60 R CB -0.536 29.819 30.300 0.092 0.000 0.864 60 R HN 0.680 nan 8.270 nan 0.000 0.440 61 Y N 1.024 121.335 120.300 0.018 0.000 2.165 61 Y HA -0.194 4.355 4.550 -0.001 0.000 0.286 61 Y C 1.685 177.590 175.900 0.010 0.000 1.155 61 Y CA 1.729 59.836 58.100 0.012 0.000 1.164 61 Y CB 0.232 38.705 38.460 0.022 0.000 0.978 61 Y HN -0.107 nan 8.280 nan 0.000 0.513 62 S N -0.887 114.905 115.700 0.152 0.000 2.554 62 S HA 0.116 4.586 4.470 0.000 0.000 0.226 62 S C 0.380 174.995 174.600 0.025 0.000 0.980 62 S CA 0.470 58.718 58.200 0.079 0.000 0.939 62 S CB 0.123 63.424 63.200 0.167 0.000 0.832 62 S HN 0.350 nan 8.310 nan 0.000 0.486 63 S N 1.728 117.432 115.700 0.006 0.000 3.550 63 S HA -0.142 4.328 4.470 0.000 0.000 0.372 63 S C 0.131 174.739 174.600 0.012 0.000 0.966 63 S CA 1.086 59.278 58.200 -0.013 0.000 1.229 63 S CB -1.435 61.742 63.200 -0.038 0.000 0.917 63 S HN 0.705 nan 8.310 nan 0.000 0.496 64 T N -0.562 114.013 114.554 0.035 0.000 2.626 64 T HA 0.703 5.053 4.350 0.000 0.000 0.279 64 T C -0.621 174.107 174.700 0.046 0.000 0.983 64 T CA -0.860 61.265 62.100 0.041 0.000 1.059 64 T CB 0.670 69.570 68.868 0.052 0.000 1.396 64 T HN 0.231 nan 8.240 nan 0.000 0.519 65 L N 1.611 122.863 121.223 0.048 0.000 2.349 65 L HA 0.576 4.916 4.340 0.000 0.000 0.275 65 L C 1.064 177.981 176.870 0.078 0.000 1.115 65 L CA -0.630 54.241 54.840 0.052 0.000 0.820 65 L CB 0.742 42.826 42.059 0.042 0.000 1.135 65 L HN 0.761 nan 8.230 nan 0.000 0.445 66 G N 2.073 110.928 108.800 0.091 0.000 2.410 66 G HA2 0.594 4.554 3.960 0.000 0.000 0.330 66 G HA3 0.594 4.554 3.960 0.000 0.000 0.330 66 G C -1.031 173.947 174.900 0.130 0.000 1.142 66 G CA -0.348 44.834 45.100 0.136 0.000 0.902 66 G HN 0.334 nan 8.290 nan 0.000 0.491 67 V N 0.343 120.365 119.914 0.180 0.000 2.525 67 V HA 0.713 4.833 4.120 0.000 0.000 0.299 67 V C -0.023 176.189 176.094 0.196 0.000 1.034 67 V CA -0.826 61.555 62.300 0.134 0.000 0.863 67 V CB 1.335 33.199 31.823 0.069 0.000 0.999 67 V HN 1.159 nan 8.190 nan 0.000 0.423 68 A N 3.746 126.650 122.820 0.141 0.000 2.332 68 A HA 0.927 5.247 4.320 0.000 0.000 0.300 68 A C -0.119 177.528 177.584 0.106 0.000 1.153 68 A CA -0.277 51.854 52.037 0.156 0.000 0.764 68 A CB 1.294 20.367 19.000 0.121 0.000 1.174 68 A HN 1.362 nan 8.150 nan 0.000 0.467 69 A N 2.346 125.255 122.820 0.149 0.000 2.288 69 A HA 0.776 5.096 4.320 0.000 0.000 0.320 69 A C 0.067 177.845 177.584 0.324 0.000 1.217 69 A CA -0.120 52.019 52.037 0.170 0.000 0.840 69 A CB 0.606 19.668 19.000 0.103 0.000 1.179 69 A HN 2.103 nan 8.150 nan 0.000 0.504 70 V N -0.453 119.597 119.914 0.227 0.000 3.158 70 V HA 0.885 5.005 4.120 0.000 0.000 0.311 70 V C -0.042 176.154 176.094 0.170 0.000 1.181 70 V CA -0.468 61.948 62.300 0.193 0.000 1.054 70 V CB 1.268 33.145 31.823 0.088 0.000 1.085 70 V HN 0.863 nan 8.190 nan 0.000 0.446 71 T N -0.312 114.317 114.554 0.126 0.000 2.944 71 T HA 0.547 4.898 4.350 0.000 0.000 0.284 71 T C -0.952 173.851 174.700 0.171 0.000 1.010 71 T CA -0.244 61.953 62.100 0.163 0.000 1.025 71 T CB 0.945 69.890 68.868 0.127 0.000 1.079 71 T HN 0.747 nan 8.240 nan 0.000 0.516 72 Y N 2.168 122.540 120.300 0.119 0.000 2.597 72 Y HA 0.392 4.942 4.550 0.000 0.000 0.336 72 Y C 1.160 177.108 175.900 0.079 0.000 1.216 72 Y CA 1.749 59.876 58.100 0.046 0.000 1.463 72 Y CB -0.148 38.299 38.460 -0.022 0.000 1.303 72 Y HN 1.106 nan 8.280 nan 0.000 0.576 73 G N 2.824 111.300 108.800 -0.540 0.000 2.520 73 G HA2 -0.256 3.705 3.960 0.000 0.000 0.248 73 G HA3 -0.256 3.705 3.960 0.000 0.000 0.248 73 G C 1.025 175.912 174.900 -0.021 0.000 1.161 73 G CA 0.366 45.329 45.100 -0.229 0.000 0.946 73 G HN 1.393 nan 8.290 nan 0.000 0.565 74 A N -0.186 122.744 122.820 0.183 0.000 1.903 74 A HA 0.105 4.425 4.320 0.000 0.000 0.219 74 A C 3.106 180.779 177.584 0.150 0.000 1.191 74 A CA 3.684 55.853 52.037 0.220 0.000 0.638 74 A CB -1.393 17.708 19.000 0.168 0.000 0.823 74 A HN 2.377 nan 8.150 nan 0.000 0.451 75 G N -0.765 108.092 108.800 0.095 0.000 2.459 75 G HA2 -0.059 3.902 3.960 0.000 0.000 0.217 75 G HA3 -0.059 3.902 3.960 0.000 0.000 0.217 75 G C 1.793 176.726 174.900 0.055 0.000 1.183 75 G CA 1.800 46.948 45.100 0.080 0.000 0.776 75 G HN 0.925 nan 8.290 nan 0.000 0.552 76 A N 0.246 123.049 122.820 -0.029 0.000 1.898 76 A HA 0.170 4.490 4.320 0.000 0.000 0.216 76 A C 2.165 179.820 177.584 0.118 0.000 1.181 76 A CA 1.413 53.430 52.037 -0.032 0.000 0.620 76 A CB -0.532 18.310 19.000 -0.262 0.000 0.819 76 A HN 0.263 nan 8.150 nan 0.000 0.442 77 F N 0.388 120.414 119.950 0.128 0.000 2.269 77 F HA -0.105 4.423 4.527 0.001 0.000 0.301 77 F C 2.024 177.823 175.800 -0.002 0.000 1.082 77 F CA 1.286 59.313 58.000 0.044 0.000 1.360 77 F CB -0.685 38.310 39.000 -0.007 0.000 1.041 77 F HN 0.249 nan 8.300 nan 0.000 0.512 78 N N -0.296 118.510 118.700 0.176 0.000 2.550 78 N HA -0.093 4.647 4.740 0.000 0.000 0.186 78 N C 1.372 176.863 175.510 -0.032 0.000 1.110 78 N CA 0.561 53.640 53.050 0.049 0.000 0.912 78 N CB -0.213 38.292 38.487 0.030 0.000 0.968 78 N HN 0.283 nan 8.380 nan 0.000 0.448 79 M N -0.947 118.671 119.600 0.030 0.000 2.346 79 M HA 0.149 4.629 4.480 0.000 0.000 0.280 79 M C 0.758 177.045 176.300 -0.021 0.000 1.075 79 M CA -0.026 55.262 55.300 -0.020 0.000 0.989 79 M CB 0.540 33.173 32.600 0.054 0.000 1.447 79 M HN -0.151 nan 8.290 nan 0.000 0.511 80 V N 1.304 121.186 119.914 -0.053 0.000 2.332 80 V HA -0.305 3.815 4.120 0.000 0.000 0.248 80 V C 2.008 178.017 176.094 -0.141 0.000 1.055 80 V CA 2.347 64.520 62.300 -0.212 0.000 1.038 80 V CB -0.839 30.842 31.823 -0.237 0.000 0.651 80 V HN 0.634 nan 8.190 nan 0.000 0.450 81 N N 0.655 119.306 118.700 -0.081 0.000 2.084 81 N HA -0.144 4.596 4.740 0.000 0.000 0.190 81 N C 1.748 177.238 175.510 -0.034 0.000 1.030 81 N CA 1.882 54.937 53.050 0.007 0.000 0.849 81 N CB -0.404 38.121 38.487 0.063 0.000 1.012 81 N HN 0.391 nan 8.380 nan 0.000 0.423 82 A N -0.049 122.633 122.820 -0.230 0.000 1.940 82 A HA -0.072 4.248 4.320 0.000 0.000 0.219 82 A C 2.415 179.928 177.584 -0.118 0.000 1.176 82 A CA 1.689 53.517 52.037 -0.348 0.000 0.631 82 A CB -0.855 17.666 19.000 -0.799 0.000 0.814 82 A HN 0.206 nan 8.150 nan 0.000 0.446 83 V N -0.344 119.520 119.914 -0.084 0.000 2.427 83 V HA -0.189 3.932 4.120 0.000 0.000 0.248 83 V C 3.020 179.088 176.094 -0.044 0.000 1.051 83 V CA 1.726 64.023 62.300 -0.004 0.000 1.048 83 V CB -1.143 30.736 31.823 0.093 0.000 0.666 83 V HN 0.607 nan 8.190 nan 0.000 0.456 84 A N 0.660 123.406 122.820 -0.125 0.000 1.933 84 A HA -0.091 4.229 4.320 0.000 0.000 0.218 84 A C 2.408 179.725 177.584 -0.445 0.000 1.175 84 A CA 1.911 53.843 52.037 -0.176 0.000 0.628 84 A CB -1.151 17.794 19.000 -0.092 0.000 0.814 84 A HN 0.522 nan 8.150 nan 0.000 0.444 85 G N -0.560 107.792 108.800 -0.747 0.000 2.418 85 G HA2 0.018 3.979 3.960 0.000 0.000 0.217 85 G HA3 0.018 3.979 3.960 0.000 0.000 0.217 85 G C 1.721 176.398 174.900 -0.370 0.000 1.158 85 G CA 1.371 45.789 45.100 -1.135 0.000 0.771 85 G HN 0.779 nan 8.290 nan 0.000 0.545 86 A N -0.105 122.644 122.820 -0.119 0.000 1.898 86 A HA -0.015 4.305 4.320 0.000 0.000 0.216 86 A C 2.174 179.767 177.584 0.016 0.000 1.181 86 A CA 1.601 53.638 52.037 0.000 0.000 0.620 86 A CB -0.671 18.362 19.000 0.055 0.000 0.819 86 A HN 0.477 nan 8.150 nan 0.000 0.442 87 Y N 0.493 120.742 120.300 -0.085 0.000 2.145 87 Y HA -0.127 4.423 4.550 0.001 0.000 0.286 87 Y C 2.674 178.570 175.900 -0.007 0.000 1.145 87 Y CA 1.560 59.640 58.100 -0.033 0.000 1.148 87 Y CB -0.324 38.115 38.460 -0.034 0.000 0.981 87 Y HN 0.322 nan 8.280 nan 0.000 0.507 88 A N 0.094 123.039 122.820 0.210 0.000 1.978 88 A HA -0.203 4.118 4.320 0.000 0.000 0.220 88 A C 1.672 179.363 177.584 0.178 0.000 1.170 88 A CA 1.994 54.158 52.037 0.212 0.000 0.636 88 A CB -0.521 18.566 19.000 0.145 0.000 0.810 88 A HN 0.667 nan 8.150 nan 0.000 0.448 89 E N -0.473 119.772 120.200 0.076 0.000 2.496 89 E HA 0.118 4.468 4.350 0.000 0.000 0.200 89 E C -0.668 175.951 176.600 0.032 0.000 1.016 89 E CA -0.457 55.988 56.400 0.076 0.000 0.962 89 E CB 0.270 29.957 29.700 -0.021 0.000 1.071 89 E HN 0.256 nan 8.360 nan 0.000 0.457 90 K N 0.759 121.160 120.400 0.001 0.000 3.257 90 K HA -0.159 4.162 4.320 0.000 0.000 0.270 90 K C -0.584 175.964 176.600 -0.087 0.000 0.984 90 K CA 0.421 56.664 56.287 -0.073 0.000 0.739 90 K CB -1.864 30.622 32.500 -0.024 0.000 1.351 90 K HN 0.154 nan 8.250 nan 0.000 0.463 91 S N 1.298 116.963 115.700 -0.057 0.000 2.498 91 S HA 0.425 4.895 4.470 0.000 0.000 0.317 91 S C -2.416 172.176 174.600 -0.013 0.000 1.090 91 S CA -1.462 56.724 58.200 -0.024 0.000 1.089 91 S CB 1.357 64.572 63.200 0.025 0.000 0.997 91 S HN 0.047 nan 8.310 nan 0.000 0.470 92 P HA 0.157 nan 4.420 nan 0.000 0.252 92 P C -0.668 176.656 177.300 0.041 0.000 1.727 92 P CA -0.194 62.909 63.100 0.006 0.000 1.134 92 P CB 0.149 31.846 31.700 -0.005 0.000 1.876 93 V N 4.759 124.708 119.914 0.058 0.000 2.406 93 V HA 0.097 4.217 4.120 0.000 0.000 0.272 93 V C 0.763 176.904 176.094 0.077 0.000 1.043 93 V CA -0.522 61.824 62.300 0.077 0.000 0.915 93 V CB 1.801 33.676 31.823 0.087 0.000 0.988 93 V HN 0.180 nan 8.190 nan 0.000 0.466 94 V N 6.730 126.684 119.914 0.066 0.000 2.368 94 V HA 0.218 4.339 4.120 0.000 0.000 0.266 94 V C 0.181 176.292 176.094 0.029 0.000 1.045 94 V CA -0.346 61.979 62.300 0.043 0.000 0.899 94 V CB 1.336 33.174 31.823 0.026 0.000 1.006 94 V HN 0.610 nan 8.190 nan 0.000 0.470 95 V N 7.354 127.283 119.914 0.024 0.000 2.461 95 V HA 0.410 4.530 4.120 0.000 0.000 0.275 95 V C 0.081 176.080 176.094 -0.158 0.000 1.047 95 V CA -0.160 62.131 62.300 -0.015 0.000 0.955 95 V CB 1.289 33.138 31.823 0.045 0.000 0.988 95 V HN 0.654 nan 8.190 nan 0.000 0.471 96 I N 4.272 124.731 120.570 -0.184 0.000 2.411 96 I HA 0.382 4.553 4.170 0.000 0.000 0.284 96 I C 0.010 175.944 176.117 -0.305 0.000 1.012 96 I CA 0.004 61.104 61.300 -0.334 0.000 1.119 96 I CB 1.766 39.531 38.000 -0.392 0.000 1.261 96 I HN 0.584 nan 8.210 nan 0.000 0.448 97 S N 4.091 119.575 115.700 -0.359 0.000 2.472 97 S HA 0.723 5.193 4.470 0.000 0.000 0.303 97 S C 0.184 174.700 174.600 -0.139 0.000 1.099 97 S CA -0.503 57.590 58.200 -0.179 0.000 1.077 97 S CB 1.448 64.586 63.200 -0.104 0.000 1.031 97 S HN 0.734 nan 8.310 nan 0.000 0.487 98 G N 1.978 110.782 108.800 0.006 0.000 2.634 98 G HA2 0.633 4.594 3.960 0.000 0.000 0.255 98 G HA3 0.633 4.594 3.960 0.000 0.000 0.255 98 G C -0.304 174.620 174.900 0.039 0.000 1.205 98 G CA 0.059 45.189 45.100 0.050 0.000 0.884 98 G HN 1.194 nan 8.290 nan 0.000 0.549 99 A N 0.773 123.518 122.820 -0.125 0.000 2.610 99 A HA 0.821 5.141 4.320 0.000 0.000 0.291 99 A C -3.033 174.126 177.584 -0.708 0.000 1.086 99 A CA -1.193 50.490 52.037 -0.589 0.000 0.677 99 A CB 1.156 19.868 19.000 -0.480 0.000 1.278 99 A HN 0.501 nan 8.150 nan 0.000 0.414 100 P HA 0.285 nan 4.420 nan 0.000 0.268 100 P C 0.568 177.685 177.300 -0.304 0.000 1.208 100 P CA 0.617 63.245 63.100 -0.786 0.000 0.777 100 P CB 0.537 31.781 31.700 -0.760 0.000 0.875 101 G N 0.615 109.361 108.800 -0.090 0.000 2.554 101 G HA2 0.123 4.083 3.960 0.000 0.000 0.238 101 G HA3 0.123 4.083 3.960 0.000 0.000 0.238 101 G C 1.252 176.105 174.900 -0.078 0.000 1.259 101 G CA 0.085 45.156 45.100 -0.049 0.000 0.843 101 G HN 0.569 nan 8.290 nan 0.000 0.582 102 T N -2.334 112.182 114.554 -0.063 0.000 2.897 102 T HA -0.181 4.169 4.350 0.000 0.000 0.271 102 T C 1.826 176.497 174.700 -0.047 0.000 1.084 102 T CA 1.874 63.936 62.100 -0.063 0.000 1.123 102 T CB -0.361 68.478 68.868 -0.049 0.000 0.865 102 T HN 0.747 nan 8.240 nan 0.000 0.496 103 T N -1.865 112.671 114.554 -0.031 0.000 3.176 103 T HA 0.379 4.729 4.350 0.000 0.000 0.263 103 T C 0.613 175.305 174.700 -0.012 0.000 1.021 103 T CA -0.669 61.419 62.100 -0.019 0.000 0.905 103 T CB 0.217 69.079 68.868 -0.009 0.000 1.057 103 T HN 0.522 nan 8.240 nan 0.000 0.558 104 E N 1.103 121.290 120.200 -0.021 0.000 3.310 104 E HA 0.685 5.035 4.350 0.000 0.000 0.423 104 E C 0.668 177.258 176.600 -0.017 0.000 0.353 104 E CA -0.710 55.687 56.400 -0.005 0.000 2.521 104 E CB 0.301 30.006 29.700 0.009 0.000 2.229 104 E HN 0.464 nan 8.360 nan 0.000 0.443 109 L N -0.236 121.045 121.223 0.096 0.000 2.270 109 L HA 0.375 4.716 4.340 0.000 0.000 0.210 109 L C 1.407 178.313 176.870 0.059 0.000 1.104 109 L CA 0.788 55.674 54.840 0.077 0.000 0.804 109 L CB -0.105 42.008 42.059 0.089 0.000 0.937 109 L HN 0.214 nan 8.230 nan 0.000 0.450 110 L N -1.401 119.865 121.223 0.072 0.000 2.491 110 L HA 0.569 4.910 4.340 0.000 0.000 0.264 110 L C -0.244 176.653 176.870 0.045 0.000 1.053 110 L CA -0.968 53.898 54.840 0.045 0.000 0.858 110 L CB 1.057 43.145 42.059 0.049 0.000 1.519 110 L HN -0.136 nan 8.230 nan 0.000 0.508 120 T N 0.543 115.220 114.554 0.206 0.000 2.665 120 T HA -0.276 4.074 4.350 0.000 0.000 0.268 120 T C 1.686 176.569 174.700 0.305 0.000 1.035 120 T CA 2.424 64.657 62.100 0.222 0.000 1.151 120 T CB -0.170 68.826 68.868 0.213 0.000 0.862 120 T HN 0.575 nan 8.240 nan 0.000 0.438 121 Q N -0.386 119.592 119.800 0.295 0.000 2.050 121 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 121 Q C 2.085 178.180 176.000 0.157 0.000 0.980 121 Q CA 1.475 57.351 55.803 0.122 0.000 0.840 121 Q CB -0.328 28.227 28.738 -0.305 0.000 0.898 121 Q HN 0.558 nan 8.270 nan 0.000 0.424 122 F N 0.904 120.909 119.950 0.092 0.000 2.134 122 F HA -0.248 4.279 4.527 0.000 0.000 0.299 122 F C 2.350 178.174 175.800 0.041 0.000 1.097 122 F CA 1.443 59.487 58.000 0.074 0.000 1.264 122 F CB 0.065 39.165 39.000 0.167 0.000 1.001 122 F HN 0.164 nan 8.300 nan 0.000 0.479 123 Q N -0.207 119.771 119.800 0.297 0.000 2.124 123 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 123 Q C 2.524 178.550 176.000 0.043 0.000 0.977 123 Q CA 1.451 57.360 55.803 0.176 0.000 0.850 123 Q CB -0.938 27.890 28.738 0.150 0.000 0.901 123 Q HN 0.371 nan 8.270 nan 0.000 0.429 124 V N 0.029 119.960 119.914 0.029 0.000 2.323 124 V HA -0.178 3.942 4.120 0.000 0.000 0.244 124 V C 1.937 177.861 176.094 -0.283 0.000 1.041 124 V CA 1.363 63.608 62.300 -0.093 0.000 1.025 124 V CB -0.588 31.235 31.823 -0.000 0.000 0.656 124 V HN 0.165 nan 8.190 nan 0.000 0.451 125 F N 1.273 121.013 119.950 -0.350 0.000 2.293 125 F HA -0.096 4.431 4.527 0.001 0.000 0.300 125 F C 2.488 178.055 175.800 -0.388 0.000 1.086 125 F CA 1.627 59.323 58.000 -0.507 0.000 1.375 125 F CB -0.618 37.713 39.000 -1.115 0.000 1.045 125 F HN 0.157 nan 8.300 nan 0.000 0.516 126 K N 0.087 120.366 120.400 -0.203 0.000 2.280 126 K HA -0.123 4.197 4.320 0.000 0.000 0.202 126 K C 1.648 178.201 176.600 -0.079 0.000 1.047 126 K CA 1.569 57.789 56.287 -0.112 0.000 0.942 126 K CB -0.703 31.789 32.500 -0.013 0.000 0.739 126 K HN 0.245 nan 8.250 nan 0.000 0.457 127 E N -0.234 119.888 120.200 -0.130 0.000 2.358 127 E HA 0.027 4.377 4.350 0.000 0.000 0.195 127 E C 1.482 177.925 176.600 -0.262 0.000 1.010 127 E CA 1.187 57.492 56.400 -0.158 0.000 0.856 127 E CB 0.157 29.764 29.700 -0.154 0.000 0.795 127 E HN 0.887 nan 8.360 nan 0.000 0.504 128 I N -1.713 118.703 120.570 -0.258 0.000 3.833 128 I HA 0.250 4.420 4.170 0.000 0.000 0.328 128 I C -0.064 176.029 176.117 -0.041 0.000 1.554 128 I CA -0.394 60.717 61.300 -0.315 0.000 1.116 128 I CB 0.553 38.386 38.000 -0.277 0.000 1.182 128 I HN -0.241 nan 8.210 nan 0.000 0.459 129 T N -1.898 112.700 114.554 0.073 0.000 2.883 129 T HA 0.430 4.781 4.350 0.000 0.000 0.301 129 T C 0.659 175.538 174.700 0.299 0.000 1.158 129 T CA -0.080 62.179 62.100 0.265 0.000 1.007 129 T CB 2.063 71.046 68.868 0.192 0.000 1.186 129 T HN 0.034 nan 8.240 nan 0.000 0.499 130 V N -1.883 118.203 119.914 0.286 0.000 3.506 130 V HA 0.709 4.830 4.120 0.000 0.000 0.263 130 V C 0.689 176.906 176.094 0.205 0.000 1.203 130 V CA 0.646 63.094 62.300 0.246 0.000 1.133 130 V CB -1.042 30.883 31.823 0.170 0.000 0.802 130 V HN 1.338 nan 8.190 nan 0.000 0.459 131 A N -0.154 122.772 122.820 0.176 0.000 2.605 131 A HA 0.853 5.174 4.320 0.000 0.000 0.294 131 A C -1.464 176.202 177.584 0.138 0.000 1.062 131 A CA -0.707 51.427 52.037 0.161 0.000 0.682 131 A CB 1.869 20.974 19.000 0.175 0.000 1.278 131 A HN 0.370 nan 8.150 nan 0.000 0.410 132 Q N -0.652 119.234 119.800 0.143 0.000 2.456 132 Q HA 0.865 5.205 4.340 0.000 0.000 0.284 132 Q C -0.767 175.368 176.000 0.225 0.000 1.061 132 Q CA 0.005 55.890 55.803 0.136 0.000 0.799 132 Q CB 2.387 31.103 28.738 -0.036 0.000 1.445 132 Q HN 1.936 nan 8.270 nan 0.000 0.411 133 A N 0.913 123.856 122.820 0.205 0.000 2.566 133 A HA 0.764 5.084 4.320 0.000 0.000 0.297 133 A C -1.630 176.065 177.584 0.185 0.000 1.059 133 A CA -0.719 51.444 52.037 0.210 0.000 0.691 133 A CB 1.610 20.661 19.000 0.084 0.000 1.282 133 A HN 0.578 nan 8.150 nan 0.000 0.401 134 R N 2.791 123.397 120.500 0.177 0.000 2.229 134 R HA 0.552 4.893 4.340 0.000 0.000 0.332 134 R C -1.198 175.099 176.300 -0.006 0.000 0.989 134 R CA -0.594 55.550 56.100 0.073 0.000 0.842 134 R CB 0.367 30.673 30.300 0.010 0.000 1.119 134 R HN 0.684 nan 8.270 nan 0.000 0.456 135 L N 5.841 127.038 121.223 -0.044 0.000 2.480 135 L HA 0.157 4.497 4.340 0.000 0.000 0.243 135 L C 0.137 176.980 176.870 -0.045 0.000 1.315 135 L CA -0.198 54.616 54.840 -0.044 0.000 1.231 135 L CB 0.069 42.093 42.059 -0.058 0.000 1.444 135 L HN 0.719 nan 8.230 nan 0.000 0.409 136 D N -1.958 118.416 120.400 -0.042 0.000 2.363 136 D HA 0.025 4.666 4.640 0.000 0.000 0.214 136 D C 0.162 176.442 176.300 -0.035 0.000 1.093 136 D CA -0.129 53.844 54.000 -0.046 0.000 0.837 136 D CB 0.379 41.144 40.800 -0.058 0.000 0.948 136 D HN 0.114 nan 8.370 nan 0.000 0.507 137 D N 0.789 121.173 120.400 -0.028 0.000 2.402 137 D HA 0.148 4.788 4.640 0.000 0.000 0.252 137 D C -1.807 174.483 176.300 -0.017 0.000 1.294 137 D CA -1.914 52.073 54.000 -0.022 0.000 0.948 137 D CB 2.325 43.112 40.800 -0.021 0.000 1.202 137 D HN -0.203 nan 8.370 nan 0.000 0.561 138 P HA -0.151 nan 4.420 nan 0.000 0.218 138 P C 1.106 178.398 177.300 -0.012 0.000 1.146 138 P CA 0.784 63.877 63.100 -0.012 0.000 0.813 138 P CB 0.356 32.049 31.700 -0.012 0.000 0.778 139 A N 0.431 123.243 122.820 -0.014 0.000 1.969 139 A HA -0.120 4.200 4.320 0.000 0.000 0.218 139 A C 2.128 179.706 177.584 -0.010 0.000 1.169 139 A CA 1.412 53.441 52.037 -0.013 0.000 0.635 139 A CB -0.742 18.250 19.000 -0.014 0.000 0.810 139 A HN 0.213 nan 8.150 nan 0.000 0.445 140 K N -0.599 119.795 120.400 -0.010 0.000 2.361 140 K HA 0.330 4.650 4.320 0.000 0.000 0.194 140 K C 2.031 178.628 176.600 -0.004 0.000 1.032 140 K CA 0.482 56.765 56.287 -0.007 0.000 1.048 140 K CB 0.042 32.537 32.500 -0.008 0.000 0.842 140 K HN 0.365 nan 8.250 nan 0.000 0.526 141 A N 2.758 125.575 122.820 -0.006 0.000 1.892 141 A HA -0.129 4.191 4.320 0.000 0.000 0.218 141 A C -0.568 177.016 177.584 0.000 0.000 1.188 141 A CA 1.460 53.494 52.037 -0.005 0.000 0.631 141 A CB -1.415 17.581 19.000 -0.007 0.000 0.822 141 A HN 0.114 nan 8.150 nan 0.000 0.447 142 P HA -0.143 nan 4.420 nan 0.000 0.215 142 P C 1.755 179.061 177.300 0.010 0.000 1.157 142 P CA 2.062 65.165 63.100 0.005 0.000 0.868 142 P CB -0.128 31.573 31.700 0.003 0.000 0.788 143 A N -0.313 122.512 122.820 0.009 0.000 1.930 143 A HA -0.189 4.131 4.320 0.000 0.000 0.217 143 A C 2.193 179.788 177.584 0.020 0.000 1.175 143 A CA 1.413 53.458 52.037 0.013 0.000 0.627 143 A CB -1.000 18.005 19.000 0.008 0.000 0.815 143 A HN 0.065 nan 8.150 nan 0.000 0.443 144 E N 0.023 120.233 120.200 0.017 0.000 2.072 144 E HA -0.120 4.230 4.350 0.000 0.000 0.191 144 E C 1.988 178.604 176.600 0.028 0.000 0.985 144 E CA 0.961 57.376 56.400 0.024 0.000 0.801 144 E CB -0.362 29.349 29.700 0.019 0.000 0.750 144 E HN 0.724 nan 8.360 nan 0.000 0.452 145 I N 1.110 121.690 120.570 0.017 0.000 2.179 145 I HA -0.275 3.896 4.170 0.000 0.000 0.242 145 I C 2.506 178.641 176.117 0.030 0.000 1.088 145 I CA 1.181 62.490 61.300 0.016 0.000 1.357 145 I CB -0.352 37.653 38.000 0.009 0.000 1.051 145 I HN 0.001 nan 8.210 nan 0.000 0.409 146 A N 0.675 123.514 122.820 0.033 0.000 1.933 146 A HA -0.255 4.066 4.320 0.000 0.000 0.218 146 A C 2.444 180.068 177.584 0.068 0.000 1.175 146 A CA 1.846 53.909 52.037 0.044 0.000 0.628 146 A CB -0.664 18.359 19.000 0.037 0.000 0.814 146 A HN 0.384 nan 8.150 nan 0.000 0.444 147 R N -0.408 120.133 120.500 0.069 0.000 2.073 147 R HA -0.089 4.251 4.340 0.000 0.000 0.234 147 R C 1.916 178.293 176.300 0.129 0.000 1.134 147 R CA 1.896 58.055 56.100 0.098 0.000 0.952 147 R CB -0.416 29.925 30.300 0.068 0.000 0.850 147 R HN 0.288 nan 8.270 nan 0.000 0.433 148 V N 1.495 121.466 119.914 0.095 0.000 2.307 148 V HA -0.215 3.905 4.120 0.000 0.000 0.245 148 V C 2.389 178.536 176.094 0.088 0.000 1.045 148 V CA 1.568 63.927 62.300 0.098 0.000 1.024 148 V CB -0.363 31.499 31.823 0.065 0.000 0.651 148 V HN 0.345 nan 8.190 nan 0.000 0.449 149 L N 0.402 121.663 121.223 0.063 0.000 2.141 149 L HA -0.051 4.289 4.340 0.000 0.000 0.209 149 L C 2.612 179.513 176.870 0.051 0.000 1.094 149 L CA 1.559 56.427 54.840 0.047 0.000 0.763 149 L CB -1.149 40.930 42.059 0.033 0.000 0.908 149 L HN 0.484 nan 8.230 nan 0.000 0.437 150 G N -0.220 108.630 108.800 0.083 0.000 2.408 150 G HA2 -0.197 3.764 3.960 0.000 0.000 0.217 150 G HA3 -0.197 3.764 3.960 0.000 0.000 0.217 150 G C 1.785 176.729 174.900 0.073 0.000 1.150 150 G CA 0.772 45.927 45.100 0.091 0.000 0.776 150 G HN 0.452 nan 8.290 nan 0.000 0.542 151 A N 1.158 124.085 122.820 0.179 0.000 1.930 151 A HA 0.342 4.662 4.320 0.000 0.000 0.217 151 A C 2.797 180.366 177.584 -0.026 0.000 1.175 151 A CA 2.018 54.166 52.037 0.185 0.000 0.627 151 A CB -0.710 18.496 19.000 0.342 0.000 0.815 151 A HN 0.711 nan 8.150 nan 0.000 0.443 152 A N -0.170 122.658 122.820 0.013 0.000 1.933 152 A HA -0.163 4.157 4.320 0.000 0.000 0.218 152 A C 2.232 179.784 177.584 -0.053 0.000 1.175 152 A CA 1.707 53.736 52.037 -0.013 0.000 0.628 152 A CB -0.384 18.627 19.000 0.018 0.000 0.814 152 A HN 0.524 nan 8.150 nan 0.000 0.444 153 R N -0.787 119.675 120.500 -0.063 0.000 2.119 153 R HA 0.126 4.466 4.340 0.000 0.000 0.222 153 R C 2.307 178.516 176.300 -0.150 0.000 1.088 153 R CA 0.975 57.039 56.100 -0.059 0.000 0.984 153 R CB -0.294 29.976 30.300 -0.049 0.000 0.884 153 R HN 0.491 nan 8.270 nan 0.000 0.447 154 A N 0.137 122.733 122.820 -0.373 0.000 1.970 154 A HA -0.062 4.259 4.320 0.000 0.000 0.216 154 A C 1.647 178.891 177.584 -0.568 0.000 1.170 154 A CA 0.967 52.585 52.037 -0.697 0.000 0.645 154 A CB 0.187 18.262 19.000 -1.542 0.000 0.816 154 A HN 0.125 nan 8.150 nan 0.000 0.447 155 Q N -1.462 118.104 119.800 -0.390 0.000 2.189 155 Q HA 0.165 4.505 4.340 0.000 0.000 0.223 155 Q C 0.189 176.102 176.000 -0.145 0.000 0.828 155 Q CA 0.627 56.275 55.803 -0.258 0.000 0.967 155 Q CB 0.743 29.310 28.738 -0.286 0.000 1.139 155 Q HN 0.503 nan 8.270 nan 0.000 0.497 156 S N 1.223 116.878 115.700 -0.075 0.000 3.628 156 S HA -0.158 4.312 4.470 0.000 0.000 0.373 156 S C -0.468 174.034 174.600 -0.163 0.000 0.968 156 S CA 0.525 58.659 58.200 -0.111 0.000 1.215 156 S CB -0.549 62.508 63.200 -0.237 0.000 0.912 156 S HN 0.277 nan 8.310 nan 0.000 0.495 157 R N 0.093 120.504 120.500 -0.149 0.000 2.808 157 R HA 0.524 4.865 4.340 0.000 0.000 0.272 157 R C -3.106 173.168 176.300 -0.044 0.000 0.995 157 R CA -2.219 53.766 56.100 -0.191 0.000 0.917 157 R CB 0.695 30.775 30.300 -0.367 0.000 1.217 157 R HN 0.127 nan 8.270 nan 0.000 0.471 158 P HA 0.085 nan 4.420 nan 0.000 0.272 158 P C -0.498 176.885 177.300 0.137 0.000 1.230 158 P CA -0.322 62.841 63.100 0.105 0.000 0.788 158 P CB 0.653 32.448 31.700 0.158 0.000 0.949 159 V N -0.860 119.130 119.914 0.127 0.000 3.102 159 V HA 0.646 4.766 4.120 0.000 0.000 0.312 159 V C -1.587 174.599 176.094 0.152 0.000 1.135 159 V CA -1.023 61.357 62.300 0.134 0.000 1.022 159 V CB 2.114 33.992 31.823 0.092 0.000 1.056 159 V HN 0.417 nan 8.190 nan 0.000 0.436 160 Y N 1.864 122.138 120.300 -0.043 0.000 2.361 160 Y HA 0.820 5.371 4.550 0.001 0.000 0.337 160 Y C -1.229 174.588 175.900 -0.139 0.000 0.965 160 Y CA -1.225 56.787 58.100 -0.147 0.000 1.091 160 Y CB 1.779 40.102 38.460 -0.227 0.000 1.182 160 Y HN 0.781 nan 8.280 nan 0.000 0.450 161 L N 6.132 126.936 121.223 -0.697 0.000 2.381 161 L HA 0.483 4.823 4.340 0.000 0.000 0.274 161 L C -0.818 175.558 176.870 -0.823 0.000 0.988 161 L CA -0.723 53.772 54.840 -0.576 0.000 0.824 161 L CB 2.127 43.996 42.059 -0.316 0.000 1.263 161 L HN 0.627 nan 8.230 nan 0.000 0.410 162 E N 4.351 124.180 120.200 -0.618 0.000 2.145 162 E HA 0.530 4.880 4.350 0.000 0.000 0.270 162 E C -1.241 175.218 176.600 -0.234 0.000 0.906 162 E CA -0.556 55.592 56.400 -0.420 0.000 0.761 162 E CB 1.451 31.065 29.700 -0.143 0.000 1.116 162 E HN 0.488 nan 8.360 nan 0.000 0.408 163 I N 6.494 126.927 120.570 -0.230 0.000 2.420 163 I HA 0.299 4.469 4.170 0.000 0.000 0.282 163 I C -2.286 173.758 176.117 -0.122 0.000 1.019 163 I CA -2.517 58.681 61.300 -0.170 0.000 1.130 163 I CB 1.551 39.423 38.000 -0.214 0.000 1.262 163 I HN 0.334 nan 8.210 nan 0.000 0.454 164 P HA 0.016 nan 4.420 nan 0.000 0.265 164 P C 0.576 177.856 177.300 -0.034 0.000 1.193 164 P CA -0.149 62.885 63.100 -0.110 0.000 0.765 164 P CB 0.507 32.148 31.700 -0.099 0.000 0.823 165 R N 3.441 123.948 120.500 0.011 0.000 2.159 165 R HA -0.164 4.176 4.340 0.000 0.000 0.237 165 R C 1.114 177.453 176.300 0.064 0.000 1.131 165 R CA 1.612 57.761 56.100 0.082 0.000 0.982 165 R CB -0.913 29.485 30.300 0.162 0.000 0.868 165 R HN 0.407 nan 8.270 nan 0.000 0.453 166 N N 0.412 119.133 118.700 0.036 0.000 2.461 166 N HA -0.069 4.672 4.740 0.000 0.000 0.188 166 N C 0.998 176.521 175.510 0.020 0.000 1.134 166 N CA 0.647 53.714 53.050 0.029 0.000 0.878 166 N CB 0.121 38.618 38.487 0.017 0.000 0.972 166 N HN 0.264 nan 8.380 nan 0.000 0.456 167 M N -0.027 119.583 119.600 0.016 0.000 2.414 167 M HA 0.169 4.649 4.480 0.000 0.000 0.251 167 M C 1.703 178.023 176.300 0.034 0.000 1.116 167 M CA -0.001 55.306 55.300 0.012 0.000 1.056 167 M CB -0.190 32.404 32.600 -0.009 0.000 1.388 167 M HN -0.088 nan 8.290 nan 0.000 0.487 168 V N 1.878 121.829 119.914 0.062 0.000 2.282 168 V HA -0.284 3.836 4.120 0.000 0.000 0.249 168 V C 1.750 177.892 176.094 0.080 0.000 1.057 168 V CA 1.676 64.041 62.300 0.108 0.000 1.032 168 V CB -0.612 31.306 31.823 0.159 0.000 0.645 168 V HN 0.522 nan 8.190 nan 0.000 0.447 169 N N -0.185 118.549 118.700 0.056 0.000 2.270 169 N HA 0.218 4.958 4.740 0.000 0.000 0.198 169 N C 0.492 176.019 175.510 0.027 0.000 1.117 169 N CA 0.476 53.550 53.050 0.039 0.000 0.845 169 N CB 0.381 38.889 38.487 0.034 0.000 0.980 169 N HN 0.463 nan 8.380 nan 0.000 0.486 170 A N 1.160 123.994 122.820 0.023 0.000 2.477 170 A HA 0.103 4.423 4.320 0.000 0.000 0.246 170 A C 0.444 178.031 177.584 0.006 0.000 1.078 170 A CA -0.129 51.914 52.037 0.011 0.000 0.770 170 A CB 0.425 19.428 19.000 0.005 0.000 1.011 170 A HN 0.193 nan 8.150 nan 0.000 0.494 171 E N 0.099 120.296 120.200 -0.005 0.000 2.360 171 E HA 0.365 4.715 4.350 0.000 0.000 0.269 171 E C -0.110 176.478 176.600 -0.020 0.000 1.022 171 E CA 0.089 56.478 56.400 -0.017 0.000 0.887 171 E CB 0.893 30.567 29.700 -0.043 0.000 0.990 171 E HN 0.637 nan 8.360 nan 0.000 0.426 172 V N -0.368 119.536 119.914 -0.018 0.000 3.159 172 V HA 0.436 4.556 4.120 0.000 0.000 0.308 172 V C -0.477 175.606 176.094 -0.018 0.000 1.190 172 V CA -1.113 61.177 62.300 -0.016 0.000 1.037 172 V CB 1.929 33.749 31.823 -0.005 0.000 1.060 172 V HN 0.578 nan 8.190 nan 0.000 0.437 173 E N 1.693 121.883 120.200 -0.016 0.000 2.345 173 E HA 0.421 4.771 4.350 0.000 0.000 0.259 173 E C -2.515 174.082 176.600 -0.005 0.000 1.117 173 E CA -1.722 54.670 56.400 -0.014 0.000 0.913 173 E CB 0.841 30.533 29.700 -0.014 0.000 1.057 173 E HN 0.619 nan 8.360 nan 0.000 0.432 174 P HA -0.041 nan 4.420 nan 0.000 0.267 174 P C -0.846 176.456 177.300 0.005 0.000 1.200 174 P CA -0.003 63.098 63.100 0.003 0.000 0.772 174 P CB 0.441 32.144 31.700 0.004 0.000 0.855 175 V N 3.133 123.051 119.914 0.007 0.000 2.555 175 V HA 0.325 4.445 4.120 0.000 0.000 0.286 175 V C 1.298 177.398 176.094 0.011 0.000 1.044 175 V CA 0.416 62.721 62.300 0.010 0.000 1.026 175 V CB 0.428 32.259 31.823 0.012 0.000 0.981 175 V HN 0.766 nan 8.190 nan 0.000 0.480 176 G N 3.571 112.379 108.800 0.012 0.000 2.494 176 G HA2 0.266 4.227 3.960 0.000 0.000 0.270 176 G HA3 0.266 4.227 3.960 0.000 0.000 0.270 176 G C -0.348 174.563 174.900 0.017 0.000 1.423 176 G CA -0.564 44.544 45.100 0.013 0.000 1.055 176 G HN 0.639 nan 8.290 nan 0.000 0.536 177 D N 0.145 120.556 120.400 0.019 0.000 2.354 177 D HA 0.222 4.862 4.640 0.000 0.000 0.247 177 D C -0.164 176.157 176.300 0.034 0.000 1.138 177 D CA -0.121 53.893 54.000 0.023 0.000 0.958 177 D CB 0.583 41.394 40.800 0.019 0.000 1.144 177 D HN 0.134 nan 8.370 nan 0.000 0.458 178 D N 1.341 121.766 120.400 0.041 0.000 2.455 178 D HA 0.113 4.753 4.640 0.000 0.000 0.241 178 D C -1.769 174.581 176.300 0.085 0.000 1.138 178 D CA -0.569 53.471 54.000 0.067 0.000 0.877 178 D CB -0.047 40.792 40.800 0.065 0.000 1.187 178 D HN 0.124 nan 8.370 nan 0.000 0.451 179 P HA 0.214 nan 4.420 nan 0.000 0.275 179 P C -0.927 176.470 177.300 0.162 0.000 1.228 179 P CA -0.545 62.613 63.100 0.096 0.000 0.786 179 P CB 0.754 32.493 31.700 0.065 0.000 0.927 180 A N 3.056 125.945 122.820 0.115 0.000 2.440 180 A HA 0.252 4.572 4.320 0.000 0.000 0.251 180 A C -0.517 177.185 177.584 0.197 0.000 1.089 180 A CA -0.305 51.823 52.037 0.151 0.000 0.779 180 A CB -0.292 18.756 19.000 0.079 0.000 1.022 180 A HN 0.490 nan 8.150 nan 0.000 0.492 181 W N 1.670 122.954 121.300 -0.027 0.000 2.375 181 W HA 0.518 5.179 4.660 0.001 0.000 0.336 181 W C -1.988 174.516 176.519 -0.024 0.000 1.160 181 W CA -1.738 55.592 57.345 -0.026 0.000 1.266 181 W CB 0.004 29.441 29.460 -0.038 0.000 1.195 181 W HN 0.464 nan 8.180 nan 0.000 0.599 182 P HA 0.097 nan 4.420 nan 0.000 0.265 182 P C -1.036 176.325 177.300 0.100 0.000 1.193 182 P CA 0.107 63.253 63.100 0.077 0.000 0.765 182 P CB 0.388 32.107 31.700 0.030 0.000 0.823 183 V N 3.158 123.110 119.914 0.063 0.000 2.524 183 V HA 0.174 4.294 4.120 0.000 0.000 0.297 183 V C -0.453 175.664 176.094 0.038 0.000 1.035 183 V CA -0.531 61.799 62.300 0.049 0.000 0.867 183 V CB 1.928 33.772 31.823 0.033 0.000 1.004 183 V HN 0.485 nan 8.190 nan 0.000 0.426 184 D N 4.621 125.047 120.400 0.043 0.000 2.441 184 D HA 0.238 4.878 4.640 0.000 0.000 0.221 184 D C 1.284 177.602 176.300 0.029 0.000 1.156 184 D CA -0.423 53.603 54.000 0.043 0.000 0.896 184 D CB 0.930 41.770 40.800 0.066 0.000 1.028 184 D HN 0.276 nan 8.370 nan 0.000 0.509 185 R N 2.472 122.984 120.500 0.020 0.000 2.120 185 R HA -0.098 4.242 4.340 0.000 0.000 0.234 185 R C 0.946 177.249 176.300 0.006 0.000 1.123 185 R CA 0.839 56.944 56.100 0.008 0.000 0.975 185 R CB -0.080 30.224 30.300 0.007 0.000 0.866 185 R HN 0.547 nan 8.270 nan 0.000 0.446 186 D N 0.543 120.955 120.400 0.020 0.000 2.103 186 D HA -0.054 4.586 4.640 0.000 0.000 0.199 186 D C 1.777 178.096 176.300 0.033 0.000 0.978 186 D CA 1.428 55.443 54.000 0.026 0.000 0.829 186 D CB -0.089 40.734 40.800 0.038 0.000 0.981 186 D HN 0.156 nan 8.370 nan 0.000 0.464 187 A N 1.023 123.879 122.820 0.060 0.000 1.969 187 A HA -0.129 4.192 4.320 0.000 0.000 0.218 187 A C 2.154 179.672 177.584 -0.109 0.000 1.169 187 A CA 0.805 52.898 52.037 0.094 0.000 0.635 187 A CB -0.583 18.545 19.000 0.214 0.000 0.810 187 A HN 0.211 nan 8.150 nan 0.000 0.445 188 L N -0.120 121.060 121.223 -0.072 0.000 2.017 188 L HA -0.076 4.264 4.340 0.000 0.000 0.208 188 L C 2.637 179.428 176.870 -0.132 0.000 1.073 188 L CA 2.315 57.090 54.840 -0.109 0.000 0.745 188 L CB -0.907 41.123 42.059 -0.048 0.000 0.894 188 L HN 0.326 nan 8.230 nan 0.000 0.432 189 A N -0.469 122.303 122.820 -0.080 0.000 1.877 189 A HA -0.083 4.238 4.320 0.000 0.000 0.216 189 A C 2.454 179.985 177.584 -0.088 0.000 1.186 189 A CA 1.949 53.947 52.037 -0.065 0.000 0.620 189 A CB -1.265 17.718 19.000 -0.029 0.000 0.822 189 A HN 0.595 nan 8.150 nan 0.000 0.443 190 A N -1.120 121.646 122.820 -0.089 0.000 1.902 190 A HA -0.208 4.112 4.320 0.000 0.000 0.217 190 A C 2.421 179.878 177.584 -0.213 0.000 1.181 190 A CA 1.732 53.731 52.037 -0.063 0.000 0.623 190 A CB -1.437 17.609 19.000 0.078 0.000 0.818 190 A HN 0.805 nan 8.150 nan 0.000 0.443 191 C N -0.656 118.294 119.300 -0.585 0.000 2.432 191 C HA 0.048 4.508 4.460 0.000 0.000 0.277 191 C C 3.175 177.970 174.990 -0.325 0.000 1.249 191 C CA 1.354 59.887 59.018 -0.809 0.000 1.725 191 C CB -1.368 25.752 27.740 -1.034 0.000 2.028 191 C HN 0.689 nan 8.230 nan 0.000 0.477 192 A N 0.379 123.067 122.820 -0.221 0.000 1.908 192 A HA -0.211 4.110 4.320 0.000 0.000 0.218 192 A C 1.872 179.401 177.584 -0.093 0.000 1.181 192 A CA 2.413 54.377 52.037 -0.121 0.000 0.627 192 A CB -0.816 18.140 19.000 -0.073 0.000 0.818 192 A HN 0.676 nan 8.150 nan 0.000 0.445 193 D N -0.832 119.521 120.400 -0.077 0.000 2.117 193 D HA -0.143 4.497 4.640 0.000 0.000 0.197 193 D C 1.915 178.194 176.300 -0.035 0.000 0.987 193 D CA 1.463 55.438 54.000 -0.041 0.000 0.829 193 D CB -0.366 40.422 40.800 -0.021 0.000 0.961 193 D HN 0.718 nan 8.370 nan 0.000 0.460 194 E N 0.350 120.533 120.200 -0.029 0.000 2.072 194 E HA -0.121 4.229 4.350 0.000 0.000 0.191 194 E C 2.119 178.690 176.600 -0.048 0.000 0.985 194 E CA 0.539 56.946 56.400 0.012 0.000 0.801 194 E CB 0.224 29.998 29.700 0.123 0.000 0.750 194 E HN -0.012 nan 8.360 nan 0.000 0.452 195 V N 1.368 121.208 119.914 -0.125 0.000 2.295 195 V HA -0.277 3.843 4.120 0.000 0.000 0.246 195 V C 2.428 178.414 176.094 -0.179 0.000 1.049 195 V CA 1.493 63.649 62.300 -0.240 0.000 1.024 195 V CB -0.406 31.185 31.823 -0.388 0.000 0.648 195 V HN 0.353 nan 8.190 nan 0.000 0.447 196 L N -0.128 121.031 121.223 -0.106 0.000 2.083 196 L HA -0.145 4.195 4.340 0.000 0.000 0.209 196 L C 2.712 179.559 176.870 -0.038 0.000 1.083 196 L CA 1.474 56.281 54.840 -0.055 0.000 0.752 196 L CB -0.792 41.251 42.059 -0.026 0.000 0.899 196 L HN 0.376 nan 8.230 nan 0.000 0.433 197 A N 0.104 122.904 122.820 -0.033 0.000 1.902 197 A HA -0.151 4.170 4.320 0.000 0.000 0.217 197 A C 2.536 180.109 177.584 -0.019 0.000 1.181 197 A CA 1.674 53.701 52.037 -0.016 0.000 0.623 197 A CB -0.616 18.382 19.000 -0.004 0.000 0.818 197 A HN 0.395 nan 8.150 nan 0.000 0.443 198 A N -0.982 121.816 122.820 -0.036 0.000 1.902 198 A HA -0.097 4.223 4.320 0.000 0.000 0.217 198 A C 2.171 179.733 177.584 -0.036 0.000 1.181 198 A CA 1.879 53.894 52.037 -0.038 0.000 0.623 198 A CB -0.460 18.502 19.000 -0.063 0.000 0.818 198 A HN 0.417 nan 8.150 nan 0.000 0.443 199 M N -0.549 119.022 119.600 -0.048 0.000 2.159 199 M HA -0.086 4.394 4.480 0.000 0.000 0.263 199 M C 2.189 178.489 176.300 -0.000 0.000 1.063 199 M CA 1.389 56.679 55.300 -0.017 0.000 1.110 199 M CB -1.082 31.517 32.600 -0.003 0.000 1.374 199 M HN 0.420 nan 8.290 nan 0.000 0.411 200 R N -0.170 120.328 120.500 -0.004 0.000 2.090 200 R HA -0.069 4.271 4.340 0.000 0.000 0.228 200 R C 2.300 178.602 176.300 0.003 0.000 1.110 200 R CA 1.777 57.879 56.100 0.002 0.000 0.973 200 R CB -0.332 29.968 30.300 0.001 0.000 0.869 200 R HN 0.477 nan 8.270 nan 0.000 0.440 201 S N 0.342 116.041 115.700 -0.000 0.000 2.496 201 S HA 0.148 4.618 4.470 0.000 0.000 0.224 201 S C 0.987 175.588 174.600 0.002 0.000 0.996 201 S CA 0.025 58.226 58.200 0.002 0.000 0.927 201 S CB 0.170 63.371 63.200 0.002 0.000 0.774 201 S HN 0.254 nan 8.310 nan 0.000 0.524 202 A N 2.271 125.092 122.820 0.002 0.000 2.462 202 A HA 0.452 4.772 4.320 0.000 0.000 0.243 202 A C 1.571 179.159 177.584 0.006 0.000 1.076 202 A CA 0.238 52.277 52.037 0.004 0.000 0.773 202 A CB 0.076 19.079 19.000 0.005 0.000 1.010 202 A HN 0.527 nan 8.150 nan 0.000 0.493 203 T N -1.194 113.364 114.554 0.006 0.000 2.942 203 T HA 0.056 4.406 4.350 0.000 0.000 0.265 203 T C 0.920 175.625 174.700 0.008 0.000 1.062 203 T CA 1.335 63.439 62.100 0.006 0.000 1.139 203 T CB -0.023 68.848 68.868 0.005 0.000 0.883 203 T HN 0.778 nan 8.240 nan 0.000 0.468 204 S N 3.135 118.840 115.700 0.008 0.000 2.235 204 S HA 0.409 4.879 4.470 0.000 0.000 0.152 204 S C -2.893 171.715 174.600 0.013 0.000 1.649 204 S CA -1.465 56.741 58.200 0.010 0.000 1.277 204 S CB 0.615 63.820 63.200 0.008 0.000 1.299 204 S HN 0.272 nan 8.310 nan 0.000 0.388 205 P HA 0.326 nan 4.420 nan 0.000 0.274 205 P C -0.806 176.515 177.300 0.036 0.000 1.231 205 P CA -0.298 62.820 63.100 0.030 0.000 0.790 205 P CB 1.253 32.975 31.700 0.036 0.000 0.951 206 V N 3.129 123.072 119.914 0.049 0.000 2.733 206 V HA 0.239 4.360 4.120 0.000 0.000 0.306 206 V C -0.242 175.895 176.094 0.073 0.000 1.084 206 V CA -0.767 61.558 62.300 0.042 0.000 0.905 206 V CB 2.013 33.841 31.823 0.009 0.000 1.010 206 V HN 0.417 nan 8.190 nan 0.000 0.424 207 L N 5.855 127.109 121.223 0.051 0.000 2.265 207 L HA 0.655 4.995 4.340 0.000 0.000 0.289 207 L C -0.337 176.510 176.870 -0.039 0.000 1.033 207 L CA 0.175 55.027 54.840 0.020 0.000 0.814 207 L CB 1.113 43.171 42.059 -0.002 0.000 1.203 207 L HN 0.649 nan 8.230 nan 0.000 0.423 208 M N 5.636 125.194 119.600 -0.071 0.000 2.129 208 M HA 0.394 4.874 4.480 0.000 0.000 0.348 208 M C -0.894 175.345 176.300 -0.101 0.000 1.116 208 M CA -0.754 54.507 55.300 -0.065 0.000 1.022 208 M CB 1.760 34.329 32.600 -0.053 0.000 1.599 208 M HN 0.286 nan 8.290 nan 0.000 0.449 209 V N 3.660 123.532 119.914 -0.070 0.000 2.383 209 V HA 0.333 4.453 4.120 0.000 0.000 0.275 209 V C -0.035 176.040 176.094 -0.031 0.000 1.036 209 V CA -0.365 61.891 62.300 -0.073 0.000 0.889 209 V CB 0.876 32.661 31.823 -0.065 0.000 0.985 209 V HN 1.031 nan 8.190 nan 0.000 0.459 210 C N 3.159 122.448 119.300 -0.019 0.000 3.017 210 C HA 0.460 4.920 4.460 0.000 0.000 0.380 210 C C 1.874 176.878 174.990 0.024 0.000 1.583 210 C CA -0.348 58.687 59.018 0.028 0.000 1.616 210 C CB 1.391 29.167 27.740 0.059 0.000 2.145 210 C HN 0.598 nan 8.230 nan 0.000 0.466 211 V N 1.098 121.052 119.914 0.067 0.000 2.282 211 V HA -0.230 3.890 4.120 0.000 0.000 0.249 211 V C 2.253 178.313 176.094 -0.056 0.000 1.057 211 V CA 2.425 64.739 62.300 0.023 0.000 1.032 211 V CB -0.673 31.209 31.823 0.097 0.000 0.645 211 V HN 0.895 nan 8.190 nan 0.000 0.447 212 E N -0.740 119.450 120.200 -0.016 0.000 2.204 212 E HA -0.170 4.180 4.350 0.000 0.000 0.195 212 E C 2.153 178.667 176.600 -0.143 0.000 0.990 212 E CA 1.386 57.671 56.400 -0.193 0.000 0.821 212 E CB -0.147 29.561 29.700 0.014 0.000 0.750 212 E HN 0.587 nan 8.360 nan 0.000 0.477 213 V N 1.187 121.078 119.914 -0.038 0.000 2.343 213 V HA -0.257 3.864 4.120 0.000 0.000 0.247 213 V C 2.430 178.494 176.094 -0.050 0.000 1.051 213 V CA 1.831 64.121 62.300 -0.016 0.000 1.036 213 V CB -0.465 31.340 31.823 -0.030 0.000 0.654 213 V HN 0.218 nan 8.190 nan 0.000 0.451 214 R N -0.214 120.232 120.500 -0.090 0.000 2.062 214 R HA -0.098 4.242 4.340 0.000 0.000 0.229 214 R C 2.604 178.824 176.300 -0.133 0.000 1.128 214 R CA 0.994 57.033 56.100 -0.101 0.000 0.960 214 R CB -0.131 30.102 30.300 -0.112 0.000 0.855 214 R HN 0.304 nan 8.270 nan 0.000 0.432 215 R N -0.058 120.301 120.500 -0.235 0.000 2.091 215 R HA -0.159 4.181 4.340 0.000 0.000 0.238 215 R C 1.632 177.783 176.300 -0.248 0.000 1.136 215 R CA 1.362 57.266 56.100 -0.326 0.000 0.959 215 R CB -0.644 29.311 30.300 -0.574 0.000 0.856 215 R HN 0.378 nan 8.270 nan 0.000 0.437 216 Y N -0.171 120.097 120.300 -0.053 0.000 2.461 216 Y HA 0.273 4.823 4.550 -0.000 0.000 0.277 216 Y C 1.272 177.143 175.900 -0.049 0.000 1.182 216 Y CA -0.271 57.793 58.100 -0.059 0.000 1.276 216 Y CB -0.428 37.992 38.460 -0.068 0.000 1.087 216 Y HN 0.279 nan 8.280 nan 0.000 0.519 217 G N 1.026 109.863 108.800 0.062 0.000 2.295 217 G HA2 -0.287 3.673 3.960 0.000 0.000 0.287 217 G HA3 -0.287 3.673 3.960 0.000 0.000 0.287 217 G C 0.460 175.376 174.900 0.027 0.000 1.055 217 G CA 0.482 45.597 45.100 0.026 0.000 0.922 217 G HN 0.496 nan 8.290 nan 0.000 0.503 218 L N -0.571 120.671 121.223 0.032 0.000 2.741 218 L HA 0.260 4.600 4.340 0.000 0.000 0.237 218 L C 2.104 178.972 176.870 -0.003 0.000 1.178 218 L CA 0.510 55.362 54.840 0.021 0.000 0.973 218 L CB 0.186 42.269 42.059 0.041 0.000 1.255 218 L HN 0.512 nan 8.230 nan 0.000 0.498 219 E N 1.574 121.766 120.200 -0.014 0.000 2.058 219 E HA -0.275 4.075 4.350 0.000 0.000 0.194 219 E C 2.228 178.816 176.600 -0.020 0.000 0.997 219 E CA 1.663 58.048 56.400 -0.024 0.000 0.801 219 E CB 0.152 29.832 29.700 -0.033 0.000 0.746 219 E HN 0.513 nan 8.360 nan 0.000 0.450 220 A N 1.278 124.089 122.820 -0.015 0.000 1.877 220 A HA -0.187 4.134 4.320 0.000 0.000 0.216 220 A C 2.108 179.686 177.584 -0.009 0.000 1.186 220 A CA 1.553 53.583 52.037 -0.012 0.000 0.620 220 A CB -0.378 18.617 19.000 -0.009 0.000 0.822 220 A HN 0.088 nan 8.150 nan 0.000 0.443 221 K N -0.304 120.092 120.400 -0.007 0.000 2.097 221 K HA -0.050 4.270 4.320 0.000 0.000 0.206 221 K C 1.944 178.539 176.600 -0.009 0.000 1.049 221 K CA 1.335 57.619 56.287 -0.005 0.000 0.933 221 K CB -0.670 31.829 32.500 -0.002 0.000 0.717 221 K HN 0.361 nan 8.250 nan 0.000 0.442 222 V N 1.382 121.286 119.914 -0.017 0.000 2.667 222 V HA -0.153 3.968 4.120 0.000 0.000 0.252 222 V C 2.395 178.474 176.094 -0.026 0.000 1.065 222 V CA 1.574 63.856 62.300 -0.029 0.000 1.083 222 V CB -0.576 31.220 31.823 -0.045 0.000 0.692 222 V HN 0.246 nan 8.190 nan 0.000 0.468 223 A N 0.150 122.958 122.820 -0.020 0.000 1.902 223 A HA -0.237 4.083 4.320 0.000 0.000 0.217 223 A C 2.195 179.774 177.584 -0.008 0.000 1.181 223 A CA 2.006 54.034 52.037 -0.015 0.000 0.623 223 A CB -0.410 18.581 19.000 -0.014 0.000 0.818 223 A HN 0.532 nan 8.150 nan 0.000 0.443 224 E N -0.205 119.992 120.200 -0.005 0.000 2.047 224 E HA -0.157 4.193 4.350 0.000 0.000 0.191 224 E C 1.808 178.411 176.600 0.005 0.000 0.987 224 E CA 1.282 57.682 56.400 0.000 0.000 0.799 224 E CB -0.415 29.286 29.700 0.001 0.000 0.752 224 E HN 0.413 nan 8.360 nan 0.000 0.449 225 L N 0.382 121.607 121.223 0.004 0.000 2.042 225 L HA -0.061 4.279 4.340 0.000 0.000 0.210 225 L C 2.198 179.077 176.870 0.016 0.000 1.076 225 L CA 2.385 57.234 54.840 0.015 0.000 0.749 225 L CB -1.070 40.996 42.059 0.012 0.000 0.893 225 L HN 0.177 nan 8.230 nan 0.000 0.432 226 A N -1.002 121.819 122.820 0.000 0.000 1.908 226 A HA -0.302 4.018 4.320 0.000 0.000 0.218 226 A C 2.342 179.933 177.584 0.011 0.000 1.181 226 A CA 1.929 53.967 52.037 0.002 0.000 0.627 226 A CB -0.739 18.254 19.000 -0.011 0.000 0.818 226 A HN 0.699 nan 8.150 nan 0.000 0.445 227 Q N -0.569 119.235 119.800 0.008 0.000 2.079 227 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 227 Q C 2.255 178.263 176.000 0.015 0.000 0.974 227 Q CA 1.435 57.244 55.803 0.010 0.000 0.840 227 Q CB -0.095 28.647 28.738 0.006 0.000 0.898 227 Q HN 0.670 nan 8.270 nan 0.000 0.430 228 R N -0.125 120.385 120.500 0.017 0.000 2.115 228 R HA -0.084 4.257 4.340 0.000 0.000 0.226 228 R C 2.285 178.602 176.300 0.028 0.000 1.100 228 R CA 0.789 56.902 56.100 0.021 0.000 0.980 228 R CB -0.227 30.085 30.300 0.021 0.000 0.875 228 R HN 0.245 nan 8.270 nan 0.000 0.445 229 L N 0.378 121.623 121.223 0.038 0.000 2.201 229 L HA 0.074 4.414 4.340 0.000 0.000 0.212 229 L C 1.047 177.942 176.870 0.042 0.000 1.105 229 L CA 1.786 56.657 54.840 0.052 0.000 0.775 229 L CB -0.431 41.676 42.059 0.081 0.000 0.913 229 L HN 0.447 nan 8.230 nan 0.000 0.440 230 G N -0.420 108.400 108.800 0.032 0.000 2.198 230 G HA2 -0.213 3.748 3.960 0.000 0.000 0.260 230 G HA3 -0.213 3.748 3.960 0.000 0.000 0.260 230 G C 0.227 175.144 174.900 0.028 0.000 1.025 230 G CA 0.546 45.661 45.100 0.026 0.000 0.769 230 G HN 0.869 nan 8.290 nan 0.000 0.507 231 V N -3.918 116.017 119.914 0.035 0.000 3.046 231 V HA 0.932 5.053 4.120 0.000 0.000 0.316 231 V C -2.084 174.027 176.094 0.029 0.000 1.104 231 V CA -3.000 59.321 62.300 0.036 0.000 1.006 231 V CB 1.834 33.689 31.823 0.053 0.000 1.058 231 V HN 0.017 nan 8.190 nan 0.000 0.440 232 P HA 0.258 nan 4.420 nan 0.000 0.266 232 P C -0.768 176.542 177.300 0.017 0.000 1.195 232 P CA 0.195 63.307 63.100 0.020 0.000 0.768 232 P CB 0.610 32.322 31.700 0.019 0.000 0.838 233 V N 4.275 124.196 119.914 0.011 0.000 2.513 233 V HA 0.508 4.628 4.120 0.000 0.000 0.299 233 V C 0.205 176.303 176.094 0.006 0.000 1.035 233 V CA -0.415 61.887 62.300 0.002 0.000 0.889 233 V CB 2.069 33.890 31.823 -0.003 0.000 0.988 233 V HN 0.243 nan 8.190 nan 0.000 0.440 234 V N 2.701 122.616 119.914 0.002 0.000 3.049 234 V HA 0.699 4.819 4.120 0.000 0.000 0.309 234 V C -0.096 176.005 176.094 0.013 0.000 1.148 234 V CA -0.581 61.731 62.300 0.019 0.000 0.990 234 V CB 2.801 34.643 31.823 0.032 0.000 1.039 234 V HN 0.998 nan 8.190 nan 0.000 0.430 235 T N -1.132 113.440 114.554 0.030 0.000 2.932 235 T HA 0.724 5.075 4.350 0.000 0.000 0.289 235 T C -0.006 174.742 174.700 0.081 0.000 1.039 235 T CA -0.328 61.787 62.100 0.025 0.000 1.024 235 T CB 1.763 70.626 68.868 -0.009 0.000 1.090 235 T HN 0.921 nan 8.240 nan 0.000 0.496 236 T N -0.451 114.162 114.554 0.098 0.000 2.824 236 T HA 0.376 4.727 4.350 0.000 0.000 0.277 236 T C 0.873 175.688 174.700 0.193 0.000 0.975 236 T CA -0.819 61.407 62.100 0.209 0.000 0.966 236 T CB 0.367 69.381 68.868 0.244 0.000 1.054 236 T HN 0.506 nan 8.240 nan 0.000 0.533 237 F N 0.864 120.921 119.950 0.177 0.000 2.095 237 F HA -0.044 4.484 4.527 0.001 0.000 0.298 237 F C 2.173 177.954 175.800 -0.032 0.000 1.104 237 F CA 1.556 59.590 58.000 0.056 0.000 1.232 237 F CB -0.467 38.620 39.000 0.143 0.000 0.987 237 F HN 0.319 nan 8.300 nan 0.000 0.475 238 M N -0.216 119.330 119.600 -0.090 0.000 2.630 238 M HA 0.054 4.535 4.480 0.000 0.000 0.254 238 M C 1.971 178.162 176.300 -0.181 0.000 1.092 238 M CA 1.097 56.245 55.300 -0.253 0.000 1.087 238 M CB -1.456 31.081 32.600 -0.104 0.000 1.453 238 M HN 0.347 nan 8.290 nan 0.000 0.509 239 G N -0.251 108.484 108.800 -0.108 0.000 3.126 239 G HA2 0.050 4.010 3.960 0.000 0.000 0.224 239 G HA3 0.050 4.010 3.960 0.000 0.000 0.224 239 G C 0.676 175.501 174.900 -0.126 0.000 1.142 239 G CA -0.437 44.609 45.100 -0.091 0.000 0.759 239 G HN 0.328 nan 8.290 nan 0.000 0.550 240 R N 0.470 120.848 120.500 -0.203 0.000 2.504 240 R HA 0.332 4.672 4.340 0.000 0.000 0.291 240 R C 1.491 177.695 176.300 -0.159 0.000 0.974 240 R CA 1.409 57.392 56.100 -0.195 0.000 1.077 240 R CB -0.088 30.021 30.300 -0.318 0.000 0.926 240 R HN 0.327 nan 8.270 nan 0.000 0.407 241 G N 3.403 112.142 108.800 -0.101 0.000 2.254 241 G HA2 -0.263 3.697 3.960 0.000 0.000 0.225 241 G HA3 -0.263 3.697 3.960 0.000 0.000 0.225 241 G C 0.134 174.994 174.900 -0.068 0.000 1.003 241 G CA -0.097 44.954 45.100 -0.081 0.000 0.622 241 G HN 0.510 nan 8.290 nan 0.000 0.507 242 L N 0.844 122.024 121.223 -0.072 0.000 2.456 242 L HA 0.437 4.777 4.340 0.000 0.000 0.272 242 L C 1.624 178.469 176.870 -0.042 0.000 1.189 242 L CA -0.106 54.699 54.840 -0.059 0.000 0.846 242 L CB 0.711 42.733 42.059 -0.062 0.000 1.111 242 L HN 0.260 nan 8.230 nan 0.000 0.475 243 L N 1.931 123.132 121.223 -0.036 0.000 4.429 243 L HA -0.319 4.021 4.340 0.000 0.000 0.422 243 L C 1.611 178.470 176.870 -0.018 0.000 1.149 243 L CA 1.261 56.086 54.840 -0.026 0.000 0.972 243 L CB -1.844 40.200 42.059 -0.025 0.000 2.059 243 L HN 0.843 nan 8.230 nan 0.000 0.870 244 A N -0.988 121.820 122.820 -0.020 0.000 1.940 244 A HA -0.175 4.145 4.320 0.000 0.000 0.219 244 A C 1.708 179.289 177.584 -0.005 0.000 1.176 244 A CA 2.074 54.105 52.037 -0.010 0.000 0.631 244 A CB -0.239 18.754 19.000 -0.013 0.000 0.814 244 A HN 0.566 nan 8.150 nan 0.000 0.446 245 D N -0.450 119.944 120.400 -0.010 0.000 2.340 245 D HA 0.382 5.022 4.640 0.000 0.000 0.217 245 D C 0.690 176.986 176.300 -0.006 0.000 1.081 245 D CA 0.635 54.631 54.000 -0.007 0.000 0.842 245 D CB 0.009 40.803 40.800 -0.010 0.000 0.934 245 D HN 0.443 nan 8.370 nan 0.000 0.511 246 A N 1.463 124.279 122.820 -0.007 0.000 2.313 246 A HA 0.333 4.653 4.320 0.000 0.000 0.261 246 A C -1.362 176.221 177.584 -0.002 0.000 1.090 246 A CA -0.869 51.165 52.037 -0.006 0.000 0.807 246 A CB 0.451 19.446 19.000 -0.009 0.000 1.055 246 A HN -0.131 nan 8.150 nan 0.000 0.492 247 P HA -0.031 nan 4.420 nan 0.000 0.220 247 P C 0.468 177.769 177.300 0.003 0.000 1.148 247 P CA 1.824 64.925 63.100 0.002 0.000 0.803 247 P CB 0.098 31.800 31.700 0.002 0.000 0.782 248 T N -3.975 110.580 114.554 0.002 0.000 3.327 248 T HA 0.383 4.734 4.350 0.000 0.000 0.373 248 T C -2.838 171.863 174.700 0.001 0.000 1.589 248 T CA -2.429 59.673 62.100 0.003 0.000 1.497 248 T CB 0.795 69.665 68.868 0.005 0.000 1.032 248 T HN -0.075 nan 8.240 nan 0.000 0.640 249 P HA 0.385 nan 4.420 nan 0.000 0.274 249 P C -2.767 174.535 177.300 0.003 0.000 1.246 249 P CA -1.652 61.449 63.100 0.001 0.000 0.795 249 P CB -0.134 31.570 31.700 0.005 0.000 1.006 250 P HA 0.142 nan 4.420 nan 0.000 0.268 250 P C 0.955 178.263 177.300 0.014 0.000 1.205 250 P CA 0.183 63.286 63.100 0.005 0.000 0.771 250 P CB 0.247 31.947 31.700 -0.000 0.000 0.858 251 L N 1.084 122.318 121.223 0.018 0.000 2.291 251 L HA 0.168 4.509 4.340 0.000 0.000 0.214 251 L C 1.317 178.204 176.870 0.029 0.000 1.120 251 L CA 1.105 55.958 54.840 0.023 0.000 0.799 251 L CB -0.585 41.489 42.059 0.024 0.000 0.925 251 L HN 0.630 nan 8.230 nan 0.000 0.446 252 G N -1.714 107.104 108.800 0.031 0.000 2.317 252 G HA2 0.209 4.169 3.960 0.000 0.000 0.293 252 G HA3 0.209 4.169 3.960 0.000 0.000 0.293 252 G C -1.358 173.563 174.900 0.034 0.000 1.287 252 G CA -0.666 44.454 45.100 0.032 0.000 0.850 252 G HN -0.275 nan 8.290 nan 0.000 0.515 253 T N 0.645 115.212 114.554 0.022 0.000 2.770 253 T HA 0.484 4.834 4.350 0.000 0.000 0.283 253 T C -0.985 173.752 174.700 0.061 0.000 0.988 253 T CA -0.086 62.034 62.100 0.032 0.000 0.957 253 T CB 1.160 70.013 68.868 -0.024 0.000 0.930 253 T HN 0.547 nan 8.240 nan 0.000 0.443 254 Y N 5.196 125.497 120.300 0.003 0.000 2.359 254 Y HA 0.460 5.010 4.550 0.000 0.000 0.334 254 Y C 0.734 176.643 175.900 0.016 0.000 1.058 254 Y CA -0.636 57.469 58.100 0.009 0.000 1.244 254 Y CB 0.277 38.748 38.460 0.019 0.000 1.187 254 Y HN 0.679 nan 8.280 nan 0.000 0.510 255 I N 3.415 123.619 120.570 -0.610 0.000 3.817 255 I HA 0.667 4.837 4.170 0.000 0.000 0.322 255 I C 0.480 176.316 176.117 -0.468 0.000 1.512 255 I CA 0.076 61.099 61.300 -0.462 0.000 1.066 255 I CB 0.207 37.797 38.000 -0.682 0.000 1.336 255 I HN 0.879 nan 8.210 nan 0.000 0.539 256 G N 1.521 109.717 108.800 -1.007 0.000 2.615 256 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 256 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 256 G C 0.243 175.020 174.900 -0.204 0.000 1.339 256 G CA -0.141 44.682 45.100 -0.462 0.000 0.884 256 G HN 0.317 nan 8.290 nan 0.000 0.559 257 V N 0.995 120.896 119.914 -0.022 0.000 2.688 257 V HA 0.070 4.191 4.120 0.000 0.000 0.256 257 V C 3.048 179.189 176.094 0.079 0.000 1.084 257 V CA 3.481 65.789 62.300 0.014 0.000 1.103 257 V CB -0.896 30.916 31.823 -0.017 0.000 0.688 257 V HN 2.041 nan 8.190 nan 0.000 0.480 258 A N -0.678 122.260 122.820 0.198 0.000 2.119 258 A HA 0.324 4.645 4.320 0.000 0.000 0.217 258 A C 1.468 179.092 177.584 0.067 0.000 1.153 258 A CA 0.977 53.172 52.037 0.264 0.000 0.692 258 A CB -0.671 18.639 19.000 0.516 0.000 0.799 258 A HN 0.649 nan 8.150 nan 0.000 0.458 259 G N -0.675 108.094 108.800 -0.051 0.000 2.531 259 G HA2 0.382 4.342 3.960 0.000 0.000 0.281 259 G HA3 0.382 4.342 3.960 0.000 0.000 0.281 259 G C -0.785 174.099 174.900 -0.026 0.000 1.382 259 G CA -0.050 45.001 45.100 -0.081 0.000 1.045 259 G HN 0.248 nan 8.290 nan 0.000 0.533 260 D N -0.665 119.727 120.400 -0.013 0.000 2.458 260 D HA 0.340 4.980 4.640 0.000 0.000 0.243 260 D C 1.423 177.731 176.300 0.012 0.000 1.146 260 D CA 0.579 54.581 54.000 0.003 0.000 0.877 260 D CB 1.213 42.019 40.800 0.011 0.000 1.176 260 D HN 0.371 nan 8.370 nan 0.000 0.461 261 A N 3.565 126.393 122.820 0.012 0.000 1.940 261 A HA -0.175 4.145 4.320 0.000 0.000 0.219 261 A C 2.152 179.756 177.584 0.034 0.000 1.176 261 A CA 2.326 54.376 52.037 0.022 0.000 0.631 261 A CB -1.306 17.703 19.000 0.015 0.000 0.814 261 A HN 0.752 nan 8.150 nan 0.000 0.446 262 E N -0.044 120.172 120.200 0.027 0.000 2.072 262 E HA -0.105 4.245 4.350 0.000 0.000 0.191 262 E C 1.810 178.440 176.600 0.052 0.000 0.985 262 E CA 1.418 57.837 56.400 0.031 0.000 0.801 262 E CB -0.615 29.096 29.700 0.019 0.000 0.750 262 E HN 0.522 nan 8.360 nan 0.000 0.452 263 I N 1.726 122.334 120.570 0.063 0.000 2.252 263 I HA -0.168 4.002 4.170 0.000 0.000 0.245 263 I C 2.627 178.851 176.117 0.178 0.000 1.102 263 I CA 1.960 63.321 61.300 0.103 0.000 1.385 263 I CB -1.438 36.624 38.000 0.103 0.000 1.064 263 I HN 0.265 nan 8.210 nan 0.000 0.414 264 T N 0.331 114.991 114.554 0.176 0.000 2.684 264 T HA -0.205 4.145 4.350 0.000 0.000 0.267 264 T C 2.232 177.047 174.700 0.192 0.000 1.036 264 T CA 1.832 64.093 62.100 0.267 0.000 1.148 264 T CB -0.363 68.581 68.868 0.127 0.000 0.863 264 T HN 0.204 nan 8.240 nan 0.000 0.436 265 R N 0.615 121.178 120.500 0.106 0.000 2.081 265 R HA 0.027 4.367 4.340 0.000 0.000 0.235 265 R C 2.440 178.770 176.300 0.049 0.000 1.131 265 R CA 1.258 57.397 56.100 0.066 0.000 0.960 265 R CB -1.329 28.997 30.300 0.044 0.000 0.856 265 R HN 0.487 nan 8.270 nan 0.000 0.436 266 L N 0.428 121.681 121.223 0.050 0.000 2.012 266 L HA -0.070 4.270 4.340 0.000 0.000 0.210 266 L C 2.440 179.312 176.870 0.004 0.000 1.073 266 L CA 2.058 56.915 54.840 0.028 0.000 0.748 266 L CB -0.648 41.431 42.059 0.033 0.000 0.891 266 L HN 0.194 nan 8.230 nan 0.000 0.431 267 V N -0.292 119.619 119.914 -0.006 0.000 2.270 267 V HA -0.241 3.879 4.120 0.000 0.000 0.245 267 V C 2.416 178.441 176.094 -0.114 0.000 1.043 267 V CA 2.050 64.278 62.300 -0.118 0.000 1.014 267 V CB -0.645 30.970 31.823 -0.346 0.000 0.645 267 V HN 0.501 nan 8.190 nan 0.000 0.447 268 E N -0.209 119.964 120.200 -0.046 0.000 2.347 268 E HA -0.152 4.199 4.350 0.000 0.000 0.196 268 E C 1.745 178.337 176.600 -0.013 0.000 1.008 268 E CA 0.826 57.213 56.400 -0.022 0.000 0.852 268 E CB -0.008 29.721 29.700 0.048 0.000 0.783 268 E HN 0.685 nan 8.360 nan 0.000 0.505 269 E N 0.615 120.812 120.200 -0.005 0.000 2.481 269 E HA 0.063 4.413 4.350 0.000 0.000 0.198 269 E C 0.235 176.830 176.600 -0.008 0.000 1.027 269 E CA -0.217 56.181 56.400 -0.002 0.000 0.900 269 E CB 0.679 30.383 29.700 0.007 0.000 0.993 269 E HN -0.094 nan 8.360 nan 0.000 0.482 270 S N 2.321 118.011 115.700 -0.017 0.000 2.549 270 S HA -0.031 4.439 4.470 0.000 0.000 0.286 270 S C 0.557 175.150 174.600 -0.011 0.000 1.314 270 S CA -0.317 57.875 58.200 -0.013 0.000 1.062 270 S CB 0.494 63.682 63.200 -0.020 0.000 0.865 270 S HN 0.222 nan 8.310 nan 0.000 0.498 271 D N 2.611 123.008 120.400 -0.004 0.000 2.424 271 D HA 0.215 4.855 4.640 0.000 0.000 0.220 271 D C 0.389 176.687 176.300 -0.002 0.000 1.150 271 D CA -0.147 53.851 54.000 -0.004 0.000 0.831 271 D CB -0.129 40.670 40.800 -0.001 0.000 0.981 271 D HN 0.541 nan 8.370 nan 0.000 0.500 272 G N 0.839 109.641 108.800 0.002 0.000 4.341 272 G HA2 0.304 4.264 3.960 0.000 0.000 0.252 272 G HA3 0.304 4.264 3.960 0.000 0.000 0.252 272 G C -1.390 173.529 174.900 0.032 0.000 2.181 272 G CA -0.663 44.441 45.100 0.007 0.000 0.602 272 G HN 0.151 nan 8.290 nan 0.000 0.346 273 L N 2.155 123.395 121.223 0.029 0.000 2.268 273 L HA 0.638 4.978 4.340 0.000 0.000 0.289 273 L C -0.851 176.105 176.870 0.145 0.000 1.064 273 L CA -1.303 53.567 54.840 0.051 0.000 0.824 273 L CB 0.228 42.280 42.059 -0.011 0.000 1.202 273 L HN 0.233 nan 8.230 nan 0.000 0.433 274 F N 6.796 126.739 119.950 -0.012 0.000 2.368 274 F HA 0.352 4.879 4.527 0.001 0.000 0.362 274 F C -0.561 175.250 175.800 0.018 0.000 1.137 274 F CA -1.359 56.647 58.000 0.011 0.000 1.161 274 F CB 0.304 39.311 39.000 0.012 0.000 1.265 274 F HN 0.275 nan 8.300 nan 0.000 0.530 275 L N 7.553 128.978 121.223 0.336 0.000 2.334 275 L HA 0.165 4.505 4.340 0.000 0.000 0.286 275 L C -0.249 176.685 176.870 0.107 0.000 1.108 275 L CA -0.682 54.244 54.840 0.144 0.000 0.875 275 L CB 0.567 42.724 42.059 0.162 0.000 1.246 275 L HN 0.390 nan 8.230 nan 0.000 0.439 276 L N 4.418 125.540 121.223 -0.168 0.000 2.356 276 L HA 0.401 4.742 4.340 0.000 0.000 0.282 276 L C 0.979 177.842 176.870 -0.012 0.000 1.132 276 L CA 0.475 55.179 54.840 -0.227 0.000 0.923 276 L CB 0.080 41.835 42.059 -0.507 0.000 1.278 276 L HN 0.758 nan 8.230 nan 0.000 0.436 277 G N 3.113 111.992 108.800 0.132 0.000 2.142 277 G HA2 -0.136 3.824 3.960 0.000 0.000 0.225 277 G HA3 -0.136 3.824 3.960 0.000 0.000 0.225 277 G C 0.293 175.372 174.900 0.299 0.000 1.015 277 G CA -0.021 45.236 45.100 0.260 0.000 0.716 277 G HN 1.066 nan 8.290 nan 0.000 0.508 278 A N -0.277 122.641 122.820 0.163 0.000 2.327 278 A HA 0.775 5.095 4.320 0.000 0.000 0.283 278 A C 0.544 177.825 177.584 -0.504 0.000 1.127 278 A CA -0.392 51.625 52.037 -0.033 0.000 0.810 278 A CB 0.571 19.557 19.000 -0.023 0.000 1.066 278 A HN 0.724 nan 8.150 nan 0.000 0.492 279 I N 2.084 122.411 120.570 -0.405 0.000 2.441 279 I HA 0.161 4.331 4.170 0.000 0.000 0.287 279 I C -0.370 175.481 176.117 -0.443 0.000 1.049 279 I CA 0.136 61.106 61.300 -0.549 0.000 1.381 279 I CB 0.863 38.806 38.000 -0.095 0.000 1.409 279 I HN 0.469 nan 8.210 nan 0.000 0.523 280 L N 6.346 127.325 121.223 -0.408 0.000 2.287 280 L HA 0.512 4.852 4.340 0.000 0.000 0.287 280 L C -0.132 176.615 176.870 -0.206 0.000 1.022 280 L CA -0.028 54.620 54.840 -0.321 0.000 0.814 280 L CB 1.491 43.334 42.059 -0.359 0.000 1.217 280 L HN 0.612 nan 8.230 nan 0.000 0.420 281 S N 1.182 116.761 115.700 -0.201 0.000 2.567 281 S HA 0.288 4.758 4.470 0.000 0.000 0.270 281 S C -0.646 173.892 174.600 -0.104 0.000 1.152 281 S CA -0.714 57.409 58.200 -0.129 0.000 0.835 281 S CB 1.657 64.782 63.200 -0.124 0.000 1.115 281 S HN 0.640 nan 8.310 nan 0.000 0.459 282 D N 1.710 122.075 120.400 -0.059 0.000 2.328 282 D HA 0.158 4.798 4.640 0.000 0.000 0.221 282 D C -0.055 176.232 176.300 -0.022 0.000 1.072 282 D CA 0.396 54.374 54.000 -0.036 0.000 0.850 282 D CB 0.313 41.094 40.800 -0.031 0.000 0.922 282 D HN 0.419 nan 8.370 nan 0.000 0.516 283 T N 1.159 115.694 114.554 -0.032 0.000 2.799 283 T HA 0.125 4.475 4.350 0.000 0.000 0.286 283 T C 0.834 175.528 174.700 -0.010 0.000 0.973 283 T CA -0.500 61.589 62.100 -0.018 0.000 1.035 283 T CB 2.027 70.880 68.868 -0.024 0.000 0.932 283 T HN 0.164 nan 8.240 nan 0.000 0.469 284 N N 0.540 119.241 118.700 0.001 0.000 1.156 284 N HA -0.273 4.467 4.740 0.000 0.000 0.125 284 N C 0.198 175.754 175.510 0.076 0.000 0.726 284 N CA 1.607 54.598 53.050 -0.098 0.000 0.887 284 N CB -0.595 37.625 38.487 -0.445 0.000 1.163 284 N HN 0.495 nan 8.380 nan 0.000 0.564 285 F N 1.320 121.242 119.950 -0.047 0.000 2.802 285 F HA 0.337 4.864 4.527 0.000 0.000 0.300 285 F C 1.382 177.239 175.800 0.094 0.000 1.168 285 F CA 0.548 58.532 58.000 -0.027 0.000 1.433 285 F CB -1.145 37.712 39.000 -0.238 0.000 1.115 285 F HN 0.367 nan 8.300 nan 0.000 0.582 286 A N 0.344 123.190 122.820 0.043 0.000 2.406 286 A HA 0.369 4.689 4.320 0.000 0.000 0.243 286 A C 0.219 177.759 177.584 -0.073 0.000 1.082 286 A CA -0.388 51.380 52.037 -0.448 0.000 0.786 286 A CB 0.151 18.680 19.000 -0.785 0.000 1.029 286 A HN -0.050 nan 8.150 nan 0.000 0.495 287 V N 2.089 121.953 119.914 -0.083 0.000 2.479 287 V HA 0.268 4.388 4.120 0.000 0.000 0.281 287 V C 0.907 176.957 176.094 -0.074 0.000 1.031 287 V CA 0.411 62.730 62.300 0.030 0.000 1.038 287 V CB 0.917 32.680 31.823 -0.100 0.000 0.981 287 V HN 0.889 nan 8.190 nan 0.000 0.478 288 S N 4.092 119.790 115.700 -0.003 0.000 2.462 288 S HA 0.452 4.922 4.470 0.000 0.000 0.294 288 S C 1.117 175.679 174.600 -0.064 0.000 1.144 288 S CA 0.168 58.343 58.200 -0.042 0.000 1.088 288 S CB 1.824 65.026 63.200 0.002 0.000 1.009 288 S HN 0.919 nan 8.310 nan 0.000 0.484 289 Q N 3.837 123.584 119.800 -0.087 0.000 2.297 289 Q HA -0.061 4.279 4.340 0.000 0.000 0.208 289 Q C 1.777 177.746 176.000 -0.052 0.000 0.981 289 Q CA 1.796 57.548 55.803 -0.085 0.000 0.876 289 Q CB -0.687 28.003 28.738 -0.081 0.000 0.921 289 Q HN 0.907 nan 8.270 nan 0.000 0.446 290 R N -0.654 119.824 120.500 -0.036 0.000 2.297 290 R HA 0.085 4.425 4.340 0.000 0.000 0.197 290 R C 1.506 177.799 176.300 -0.011 0.000 0.943 290 R CA 0.635 56.721 56.100 -0.023 0.000 1.038 290 R CB 0.431 30.718 30.300 -0.021 0.000 0.957 290 R HN 0.206 nan 8.270 nan 0.000 0.484 291 K N 0.411 120.810 120.400 -0.002 0.000 2.370 291 K HA 0.193 4.513 4.320 0.000 0.000 0.194 291 K C 1.042 177.640 176.600 -0.002 0.000 1.070 291 K CA 0.332 56.632 56.287 0.023 0.000 0.998 291 K CB 0.665 33.220 32.500 0.091 0.000 0.911 291 K HN 0.220 nan 8.250 nan 0.000 0.533 292 I N -1.847 118.699 120.570 -0.039 0.000 3.100 292 I HA 0.411 4.581 4.170 0.000 0.000 0.312 292 I C -0.635 175.452 176.117 -0.049 0.000 1.063 292 I CA -0.935 60.327 61.300 -0.063 0.000 1.031 292 I CB 1.539 39.472 38.000 -0.113 0.000 1.243 292 I HN -0.305 nan 8.210 nan 0.000 0.483 293 D N 2.653 123.026 120.400 -0.045 0.000 2.456 293 D HA 0.314 4.954 4.640 0.000 0.000 0.219 293 D C 0.846 177.125 176.300 -0.035 0.000 1.126 293 D CA -0.246 53.734 54.000 -0.033 0.000 0.890 293 D CB 0.722 41.508 40.800 -0.022 0.000 1.025 293 D HN 0.636 nan 8.370 nan 0.000 0.511 294 L N 2.881 124.080 121.223 -0.039 0.000 2.187 294 L HA -0.151 4.189 4.340 0.000 0.000 0.213 294 L C 2.257 179.115 176.870 -0.020 0.000 1.100 294 L CA 0.852 55.670 54.840 -0.037 0.000 0.765 294 L CB -0.139 41.897 42.059 -0.038 0.000 0.904 294 L HN 0.370 nan 8.230 nan 0.000 0.437 295 R N 0.029 120.520 120.500 -0.014 0.000 2.120 295 R HA -0.097 4.243 4.340 0.000 0.000 0.234 295 R C 1.154 177.450 176.300 -0.006 0.000 1.123 295 R CA 0.791 56.888 56.100 -0.006 0.000 0.975 295 R CB -0.036 30.262 30.300 -0.002 0.000 0.866 295 R HN 0.170 nan 8.270 nan 0.000 0.446 296 K N 0.297 120.691 120.400 -0.011 0.000 2.514 296 K HA 0.186 4.506 4.320 0.000 0.000 0.207 296 K C -0.255 176.338 176.600 -0.012 0.000 1.035 296 K CA 0.172 56.452 56.287 -0.010 0.000 1.113 296 K CB 1.394 33.889 32.500 -0.009 0.000 0.846 296 K HN -0.033 nan 8.250 nan 0.000 0.491 297 T N 1.381 115.928 114.554 -0.012 0.000 2.859 297 T HA 0.526 4.876 4.350 0.000 0.000 0.281 297 T C 0.250 174.963 174.700 0.021 0.000 1.005 297 T CA -0.406 61.695 62.100 0.002 0.000 1.025 297 T CB 1.555 70.412 68.868 -0.020 0.000 0.977 297 T HN -0.009 nan 8.240 nan 0.000 0.458 298 I N 3.213 123.818 120.570 0.059 0.000 2.359 298 I HA 0.230 4.400 4.170 0.000 0.000 0.284 298 I C -0.482 175.789 176.117 0.257 0.000 1.018 298 I CA -0.694 60.641 61.300 0.058 0.000 1.173 298 I CB 0.727 38.627 38.000 -0.167 0.000 1.326 298 I HN 0.590 nan 8.210 nan 0.000 0.462 299 H N 6.549 125.683 119.070 0.107 0.000 2.623 299 H HA 0.632 5.188 4.556 0.001 0.000 0.299 299 H C -0.680 174.768 175.328 0.201 0.000 1.052 299 H CA -0.750 55.382 56.048 0.139 0.000 1.231 299 H CB 1.115 30.920 29.762 0.072 0.000 1.389 299 H HN 0.632 nan 8.280 nan 0.000 0.469 300 A N 5.697 128.634 122.820 0.196 0.000 2.253 300 A HA 0.579 4.899 4.320 0.000 0.000 0.316 300 A C -1.406 176.228 177.584 0.083 0.000 1.327 300 A CA -0.452 51.665 52.037 0.133 0.000 0.917 300 A CB -0.452 18.710 19.000 0.269 0.000 1.162 300 A HN 0.593 nan 8.150 nan 0.000 0.535 301 F N 1.468 121.273 119.950 -0.241 0.000 2.725 301 F HA 0.372 4.899 4.527 0.000 0.000 0.309 301 F C -0.777 174.961 175.800 -0.103 0.000 1.132 301 F CA -0.593 57.286 58.000 -0.200 0.000 0.957 301 F CB 1.374 40.114 39.000 -0.434 0.000 1.286 301 F HN 0.642 nan 8.300 nan 0.000 0.440 302 D N 3.869 123.823 120.400 -0.743 0.000 2.708 302 D HA -0.235 4.406 4.640 0.000 0.000 0.236 302 D C 0.342 176.538 176.300 -0.173 0.000 1.146 302 D CA 1.607 55.312 54.000 -0.492 0.000 0.662 302 D CB -0.511 40.066 40.800 -0.371 0.000 1.059 302 D HN 0.787 nan 8.370 nan 0.000 0.428 303 R N -3.485 116.936 120.500 -0.132 0.000 3.651 303 R HA -0.149 4.191 4.340 0.000 0.000 0.292 303 R C 0.147 176.457 176.300 0.016 0.000 1.161 303 R CA 1.275 57.343 56.100 -0.053 0.000 0.787 303 R CB -1.938 28.341 30.300 -0.035 0.000 1.249 303 R HN 0.438 nan 8.270 nan 0.000 0.476 304 A N -0.562 122.270 122.820 0.020 0.000 2.593 304 A HA 0.815 5.136 4.320 0.000 0.000 0.290 304 A C -0.912 176.715 177.584 0.072 0.000 1.126 304 A CA -0.552 51.525 52.037 0.067 0.000 0.695 304 A CB 2.184 21.228 19.000 0.074 0.000 1.290 304 A HN 0.024 nan 8.150 nan 0.000 0.414 305 V N 0.800 120.789 119.914 0.124 0.000 2.569 305 V HA 0.592 4.712 4.120 0.000 0.000 0.301 305 V C -0.498 175.685 176.094 0.150 0.000 1.044 305 V CA -0.364 62.016 62.300 0.133 0.000 0.874 305 V CB 1.853 33.754 31.823 0.131 0.000 1.002 305 V HN 0.930 nan 8.190 nan 0.000 0.424 306 T N 7.150 121.766 114.554 0.104 0.000 2.797 306 T HA 0.877 5.228 4.350 0.000 0.000 0.279 306 T C -0.883 173.811 174.700 -0.010 0.000 0.991 306 T CA -0.414 61.712 62.100 0.043 0.000 0.979 306 T CB 1.270 70.195 68.868 0.093 0.000 0.943 306 T HN 0.640 nan 8.240 nan 0.000 0.444 307 L N -0.442 120.674 121.223 -0.179 0.000 2.947 307 L HA 0.778 5.118 4.340 0.000 0.000 0.267 307 L C 0.514 177.149 176.870 -0.392 0.000 1.004 307 L CA -1.165 53.556 54.840 -0.198 0.000 0.937 307 L CB -0.057 41.922 42.059 -0.133 0.000 1.496 307 L HN 0.722 nan 8.230 nan 0.000 0.409 308 G N -0.694 108.031 108.800 -0.125 0.000 2.379 308 G HA2 0.110 4.070 3.960 0.000 0.000 0.297 308 G HA3 0.110 4.070 3.960 0.000 0.000 0.297 308 G C 0.893 175.921 174.900 0.212 0.000 1.004 308 G CA 2.190 47.330 45.100 0.067 0.000 0.921 308 G HN 2.699 nan 8.290 nan 0.000 0.511 309 Y N -2.621 117.719 120.300 0.067 0.000 4.272 309 Y HA -0.120 4.430 4.550 0.000 0.000 0.232 309 Y C 0.637 176.643 175.900 0.176 0.000 1.149 309 Y CA 1.775 59.939 58.100 0.107 0.000 1.961 309 Y CB -2.789 35.735 38.460 0.107 0.000 1.611 309 Y HN 2.384 nan 8.280 nan 0.000 0.682 310 H N -2.625 116.414 119.070 -0.052 0.000 3.037 310 H HA 0.767 5.323 4.556 0.000 0.000 0.355 310 H C -1.126 174.128 175.328 -0.123 0.000 1.263 310 H CA -0.587 55.393 56.048 -0.114 0.000 1.129 310 H CB 1.689 31.333 29.762 -0.196 0.000 1.861 310 H HN 0.544 nan 8.280 nan 0.000 0.546 311 T N 2.134 116.634 114.554 -0.091 0.000 2.824 311 T HA 0.341 4.691 4.350 0.000 0.000 0.282 311 T C -0.903 173.739 174.700 -0.097 0.000 0.993 311 T CA -0.522 61.533 62.100 -0.075 0.000 0.967 311 T CB 0.594 69.469 68.868 0.012 0.000 0.960 311 T HN 0.349 nan 8.240 nan 0.000 0.441 312 Y N 1.861 122.187 120.300 0.044 0.000 2.350 312 Y HA 0.580 5.131 4.550 0.001 0.000 0.340 312 Y C 0.665 176.591 175.900 0.044 0.000 1.006 312 Y CA -0.688 57.444 58.100 0.053 0.000 1.166 312 Y CB 0.830 39.317 38.460 0.045 0.000 1.168 312 Y HN 0.791 nan 8.280 nan 0.000 0.502 313 A N 1.831 124.761 122.820 0.182 0.000 2.269 313 A HA 0.552 4.872 4.320 0.000 0.000 0.319 313 A C -0.146 177.511 177.584 0.121 0.000 1.110 313 A CA -0.628 51.485 52.037 0.127 0.000 0.847 313 A CB 0.238 19.292 19.000 0.091 0.000 1.161 313 A HN 0.872 nan 8.150 nan 0.000 0.497 314 D N -0.728 119.734 120.400 0.104 0.000 2.705 314 D HA -0.137 4.503 4.640 0.000 0.000 0.240 314 D C -0.713 175.629 176.300 0.071 0.000 1.137 314 D CA 1.223 55.281 54.000 0.096 0.000 0.677 314 D CB -1.268 39.583 40.800 0.085 0.000 1.049 314 D HN 0.487 nan 8.370 nan 0.000 0.427 315 I N 1.080 121.685 120.570 0.058 0.000 2.495 315 I HA 0.198 4.368 4.170 0.000 0.000 0.277 315 I C -2.079 174.035 176.117 -0.005 0.000 1.045 315 I CA -1.734 59.582 61.300 0.026 0.000 1.135 315 I CB 2.004 40.024 38.000 0.032 0.000 1.241 315 I HN -0.274 nan 8.210 nan 0.000 0.469 316 P HA 0.026 nan 4.420 nan 0.000 0.271 316 P C 0.696 177.950 177.300 -0.076 0.000 1.216 316 P CA -0.401 62.636 63.100 -0.104 0.000 0.776 316 P CB 1.849 33.468 31.700 -0.135 0.000 0.881 317 L N 4.180 125.354 121.223 -0.082 0.000 2.042 317 L HA -0.202 4.138 4.340 0.000 0.000 0.210 317 L C 2.512 179.374 176.870 -0.012 0.000 1.076 317 L CA 2.511 57.350 54.840 -0.001 0.000 0.749 317 L CB -1.517 40.592 42.059 0.083 0.000 0.893 317 L HN 0.500 nan 8.230 nan 0.000 0.432 318 A N -0.863 121.918 122.820 -0.065 0.000 1.933 318 A HA -0.100 4.220 4.320 0.000 0.000 0.218 318 A C 2.326 179.891 177.584 -0.032 0.000 1.175 318 A CA 1.586 53.595 52.037 -0.046 0.000 0.628 318 A CB -1.458 17.492 19.000 -0.083 0.000 0.814 318 A HN 0.527 nan 8.150 nan 0.000 0.444 319 G N -0.364 108.411 108.800 -0.042 0.000 2.408 319 G HA2 -0.070 3.891 3.960 0.000 0.000 0.217 319 G HA3 -0.070 3.891 3.960 0.000 0.000 0.217 319 G C 1.472 176.366 174.900 -0.010 0.000 1.150 319 G CA 1.079 46.163 45.100 -0.027 0.000 0.776 319 G HN 0.502 nan 8.290 nan 0.000 0.542 320 L N 0.907 122.132 121.223 0.002 0.000 2.046 320 L HA 0.013 4.353 4.340 0.000 0.000 0.208 320 L C 2.853 179.752 176.870 0.049 0.000 1.077 320 L CA 1.437 56.293 54.840 0.027 0.000 0.747 320 L CB -0.512 41.587 42.059 0.067 0.000 0.896 320 L HN 0.066 nan 8.230 nan 0.000 0.432 321 V N -0.016 119.925 119.914 0.044 0.000 2.295 321 V HA -0.288 3.832 4.120 0.000 0.000 0.246 321 V C 2.301 178.411 176.094 0.027 0.000 1.049 321 V CA 2.015 64.340 62.300 0.042 0.000 1.024 321 V CB -0.825 31.009 31.823 0.019 0.000 0.648 321 V HN 0.462 nan 8.190 nan 0.000 0.447 322 D N 0.309 120.715 120.400 0.011 0.000 2.144 322 D HA -0.114 4.527 4.640 0.000 0.000 0.199 322 D C 2.212 178.516 176.300 0.006 0.000 0.984 322 D CA 1.620 55.623 54.000 0.005 0.000 0.834 322 D CB -0.282 40.515 40.800 -0.004 0.000 0.955 322 D HN 0.444 nan 8.370 nan 0.000 0.465 323 A N 0.459 123.282 122.820 0.004 0.000 1.930 323 A HA -0.093 4.227 4.320 0.000 0.000 0.217 323 A C 2.373 179.960 177.584 0.005 0.000 1.175 323 A CA 0.786 52.822 52.037 -0.003 0.000 0.627 323 A CB -0.625 18.364 19.000 -0.017 0.000 0.815 323 A HN 0.204 nan 8.150 nan 0.000 0.443 324 L N -0.792 120.446 121.223 0.024 0.000 2.109 324 L HA -0.111 4.229 4.340 0.000 0.000 0.207 324 L C 2.481 179.370 176.870 0.031 0.000 1.086 324 L CA 0.766 55.629 54.840 0.038 0.000 0.760 324 L CB -0.463 41.649 42.059 0.088 0.000 0.910 324 L HN 0.357 nan 8.230 nan 0.000 0.437 325 L N -0.405 120.834 121.223 0.027 0.000 2.083 325 L HA -0.206 4.135 4.340 0.000 0.000 0.209 325 L C 2.380 179.257 176.870 0.012 0.000 1.083 325 L CA 1.243 56.095 54.840 0.019 0.000 0.752 325 L CB -0.431 41.636 42.059 0.014 0.000 0.899 325 L HN 0.278 nan 8.230 nan 0.000 0.433 326 E N -0.067 120.138 120.200 0.008 0.000 2.265 326 E HA -0.178 4.172 4.350 0.000 0.000 0.196 326 E C 1.770 178.373 176.600 0.004 0.000 0.996 326 E CA 0.740 57.143 56.400 0.004 0.000 0.832 326 E CB 0.098 29.798 29.700 0.001 0.000 0.756 326 E HN 0.423 nan 8.360 nan 0.000 0.491 327 R N -0.201 120.302 120.500 0.006 0.000 2.393 327 R HA 0.255 4.595 4.340 0.000 0.000 0.244 327 R C -0.193 176.112 176.300 0.008 0.000 0.920 327 R CA -0.044 56.059 56.100 0.005 0.000 1.076 327 R CB 0.555 30.855 30.300 0.000 0.000 1.119 327 R HN -0.008 nan 8.270 nan 0.000 0.524 328 L N 2.215 123.446 121.223 0.012 0.000 2.362 328 L HA 0.494 4.834 4.340 0.000 0.000 0.275 328 L C -2.247 174.630 176.870 0.012 0.000 0.998 328 L CA -2.338 52.510 54.840 0.014 0.000 0.820 328 L CB 2.183 44.255 42.059 0.022 0.000 1.270 328 L HN -0.149 nan 8.230 nan 0.000 0.415 329 P HA 0.321 nan 4.420 nan 0.000 0.276 329 P C -2.714 174.592 177.300 0.009 0.000 1.244 329 P CA -1.609 61.496 63.100 0.008 0.000 0.801 329 P CB 0.096 31.800 31.700 0.007 0.000 1.006 330 P HA 0.161 nan 4.420 nan 0.000 0.270 330 P C -0.236 177.069 177.300 0.007 0.000 1.223 330 P CA 0.314 63.418 63.100 0.007 0.000 0.785 330 P CB 0.356 32.059 31.700 0.005 0.000 0.923 331 S N 0.200 115.904 115.700 0.007 0.000 2.556 331 S HA 0.375 4.846 4.470 0.000 0.000 0.271 331 S C -0.717 173.887 174.600 0.006 0.000 1.135 331 S CA -0.624 57.580 58.200 0.008 0.000 0.858 331 S CB 0.788 63.993 63.200 0.009 0.000 1.114 331 S HN 0.488 nan 8.310 nan 0.000 0.468 332 D N 1.553 121.957 120.400 0.006 0.000 2.402 332 D HA 0.100 4.741 4.640 0.000 0.000 0.216 332 D C 0.532 176.835 176.300 0.006 0.000 1.128 332 D CA -0.409 53.594 54.000 0.005 0.000 0.833 332 D CB -0.177 40.626 40.800 0.004 0.000 0.971 332 D HN 0.434 nan 8.370 nan 0.000 0.503 333 R N 0.391 120.895 120.500 0.007 0.000 2.523 333 R HA 0.139 4.479 4.340 0.000 0.000 0.281 333 R C -0.705 175.599 176.300 0.007 0.000 0.969 333 R CA 0.771 56.876 56.100 0.007 0.000 1.093 333 R CB 0.142 30.447 30.300 0.009 0.000 0.917 333 R HN -0.047 nan 8.270 nan 0.000 0.408 334 T N 2.894 117.452 114.554 0.007 0.000 2.928 334 T HA 0.191 4.541 4.350 0.000 0.000 0.296 334 T C 0.052 174.756 174.700 0.007 0.000 1.000 334 T CA -0.692 61.412 62.100 0.006 0.000 0.989 334 T CB 1.839 70.710 68.868 0.005 0.000 1.005 334 T HN 0.697 nan 8.240 nan 0.000 0.442 335 T N -0.322 114.236 114.554 0.007 0.000 3.252 335 T HA 0.311 4.662 4.350 0.000 0.000 0.286 335 T C 0.502 175.207 174.700 0.009 0.000 1.013 335 T CA -0.648 61.457 62.100 0.008 0.000 0.914 335 T CB 0.074 68.948 68.868 0.009 0.000 1.131 335 T HN 0.340 nan 8.240 nan 0.000 0.529 336 R N 0.555 121.060 120.500 0.008 0.000 2.738 336 R HA 0.621 4.961 4.340 0.000 0.000 0.268 336 R C 0.581 176.887 176.300 0.010 0.000 1.062 336 R CA 0.248 56.354 56.100 0.010 0.000 1.158 336 R CB 0.538 30.843 30.300 0.009 0.000 1.046 336 R HN 0.514 nan 8.270 nan 0.000 0.493 337 G N 0.537 109.344 108.800 0.013 0.000 2.488 337 G HA2 0.195 4.155 3.960 0.000 0.000 0.301 337 G HA3 0.195 4.155 3.960 0.000 0.000 0.301 337 G C -1.445 173.465 174.900 0.017 0.000 1.339 337 G CA -0.946 44.161 45.100 0.013 0.000 0.803 337 G HN 0.336 nan 8.290 nan 0.000 0.482 338 K N 1.176 121.585 120.400 0.016 0.000 2.436 338 K HA 0.474 4.794 4.320 0.000 0.000 0.275 338 K C 0.919 177.534 176.600 0.026 0.000 0.999 338 K CA 0.716 57.015 56.287 0.021 0.000 0.980 338 K CB 0.298 32.807 32.500 0.016 0.000 0.919 338 K HN 0.867 nan 8.250 nan 0.000 0.484 339 E N 4.068 124.292 120.200 0.041 0.000 3.231 339 E HA -0.127 4.223 4.350 0.000 0.000 0.271 339 E C -1.564 175.056 176.600 0.034 0.000 0.877 339 E CA -0.208 56.227 56.400 0.059 0.000 0.973 339 E CB -0.888 28.872 29.700 0.099 0.000 0.922 339 E HN 0.496 nan 8.360 nan 0.000 0.532 340 P HA -0.103 nan 4.420 nan 0.000 0.214 340 P C 0.383 177.672 177.300 -0.017 0.000 1.162 340 P CA 0.833 63.941 63.100 0.013 0.000 0.871 340 P CB 0.103 31.820 31.700 0.028 0.000 0.783 341 H N 1.069 120.068 119.070 -0.117 0.000 2.723 341 H HA 0.443 5.000 4.556 0.001 0.000 0.294 341 H C -0.770 174.367 175.328 -0.318 0.000 1.079 341 H CA -0.488 55.412 56.048 -0.246 0.000 1.411 341 H CB 0.539 30.080 29.762 -0.368 0.000 1.439 341 H HN 0.002 nan 8.280 nan 0.000 0.474 342 A N 6.726 129.244 122.820 -0.503 0.000 2.350 342 A HA 0.218 4.538 4.320 0.000 0.000 0.293 342 A C -0.883 176.536 177.584 -0.276 0.000 1.231 342 A CA -0.376 51.503 52.037 -0.264 0.000 0.883 342 A CB -0.471 18.417 19.000 -0.188 0.000 1.133 342 A HN 0.679 nan 8.150 nan 0.000 0.533 343 Y N 3.825 124.181 120.300 0.093 0.000 2.319 343 Y HA 0.325 4.876 4.550 0.001 0.000 0.328 343 Y C -1.448 174.491 175.900 0.066 0.000 1.133 343 Y CA -1.728 56.458 58.100 0.143 0.000 1.265 343 Y CB 0.567 39.105 38.460 0.130 0.000 1.218 343 Y HN 0.538 nan 8.280 nan 0.000 0.508 344 P HA 0.099 nan 4.420 nan 0.000 0.271 344 P C -0.501 176.869 177.300 0.117 0.000 1.220 344 P CA -0.080 63.096 63.100 0.127 0.000 0.768 344 P CB 1.113 32.883 31.700 0.116 0.000 0.848 345 T N -2.372 112.228 114.554 0.076 0.000 2.804 345 T HA 0.656 5.006 4.350 0.000 0.000 0.290 345 T C 0.392 175.113 174.700 0.034 0.000 1.099 345 T CA -0.329 61.803 62.100 0.053 0.000 1.011 345 T CB 1.090 69.987 68.868 0.048 0.000 1.291 345 T HN 0.593 nan 8.240 nan 0.000 0.523 346 G N 0.519 109.332 108.800 0.022 0.000 2.341 346 G HA2 -0.062 3.899 3.960 0.000 0.000 0.278 346 G HA3 -0.062 3.899 3.960 0.000 0.000 0.278 346 G C -0.275 174.633 174.900 0.013 0.000 1.111 346 G CA -0.159 44.949 45.100 0.014 0.000 0.982 346 G HN 1.247 nan 8.290 nan 0.000 0.502 347 L N 0.355 121.585 121.223 0.011 0.000 2.499 347 L HA 0.390 4.730 4.340 0.000 0.000 0.273 347 L C 0.567 177.440 176.870 0.004 0.000 1.195 347 L CA 0.156 55.001 54.840 0.008 0.000 0.882 347 L CB 0.573 42.635 42.059 0.005 0.000 1.133 347 L HN 0.366 nan 8.230 nan 0.000 0.483 348 Q N 5.675 125.477 119.800 0.003 0.000 2.441 348 Q HA 0.302 4.642 4.340 0.000 0.000 0.234 348 Q C -0.040 175.960 176.000 -0.001 0.000 1.078 348 Q CA 0.049 55.853 55.803 0.001 0.000 0.907 348 Q CB 0.996 29.735 28.738 0.002 0.000 1.269 348 Q HN 0.781 nan 8.270 nan 0.000 0.502 349 A N 3.856 126.675 122.820 -0.001 0.000 2.981 349 A HA 0.216 4.536 4.320 0.000 0.000 0.280 349 A C 0.010 177.592 177.584 -0.002 0.000 1.743 349 A CA -0.258 51.778 52.037 -0.002 0.000 1.430 349 A CB -0.592 18.407 19.000 -0.001 0.000 1.085 349 A HN 0.610 nan 8.150 nan 0.000 0.597 350 D N -0.579 119.819 120.400 -0.003 0.000 2.784 350 D HA 0.482 5.123 4.640 0.000 0.000 0.256 350 D C 1.059 177.357 176.300 -0.004 0.000 1.129 350 D CA 0.130 54.129 54.000 -0.003 0.000 1.102 350 D CB 0.073 40.872 40.800 -0.002 0.000 1.330 350 D HN -0.002 nan 8.370 nan 0.000 0.626 351 G N -1.183 107.615 108.800 -0.003 0.000 3.026 351 G HA2 0.030 3.990 3.960 0.000 0.000 0.208 351 G HA3 0.030 3.990 3.960 0.000 0.000 0.208 351 G C 0.199 175.097 174.900 -0.005 0.000 1.169 351 G CA -0.066 45.032 45.100 -0.004 0.000 0.788 351 G HN 0.212 nan 8.290 nan 0.000 0.533 352 E N 1.218 121.415 120.200 -0.005 0.000 2.374 352 E HA 0.204 4.554 4.350 0.000 0.000 0.260 352 E C -2.037 174.557 176.600 -0.009 0.000 1.101 352 E CA -2.016 54.380 56.400 -0.006 0.000 0.907 352 E CB 0.944 30.641 29.700 -0.005 0.000 1.014 352 E HN 0.103 nan 8.360 nan 0.000 0.427 353 P HA 0.137 nan 4.420 nan 0.000 0.273 353 P C -0.010 177.277 177.300 -0.021 0.000 1.250 353 P CA -0.027 63.065 63.100 -0.014 0.000 0.793 353 P CB 0.611 32.305 31.700 -0.010 0.000 1.011 354 I N 0.254 120.804 120.570 -0.033 0.000 2.396 354 I HA 0.419 4.590 4.170 0.000 0.000 0.292 354 I C 0.726 176.812 176.117 -0.052 0.000 0.999 354 I CA -0.427 60.842 61.300 -0.051 0.000 1.310 354 I CB 1.096 39.046 38.000 -0.082 0.000 1.404 354 I HN 0.344 nan 8.210 nan 0.000 0.496 355 A N 7.235 130.028 122.820 -0.046 0.000 2.354 355 A HA 0.683 5.003 4.320 0.000 0.000 0.321 355 A C -2.146 175.413 177.584 -0.041 0.000 1.125 355 A CA -1.675 50.346 52.037 -0.026 0.000 0.799 355 A CB 1.037 20.038 19.000 0.001 0.000 1.293 355 A HN 0.483 nan 8.150 nan 0.000 0.452 356 P HA -0.174 nan 4.420 nan 0.000 0.216 356 P C 1.506 178.851 177.300 0.075 0.000 1.150 356 P CA 1.453 64.590 63.100 0.061 0.000 0.843 356 P CB 0.005 31.839 31.700 0.224 0.000 0.787 357 M N -1.000 118.643 119.600 0.073 0.000 2.358 357 M HA -0.112 4.368 4.480 0.000 0.000 0.264 357 M C 1.250 177.579 176.300 0.049 0.000 1.064 357 M CA 1.446 56.792 55.300 0.077 0.000 1.093 357 M CB -1.517 31.125 32.600 0.069 0.000 1.401 357 M HN 0.009 nan 8.290 nan 0.000 0.440 358 D N 0.310 120.717 120.400 0.012 0.000 2.178 358 D HA -0.029 4.611 4.640 0.000 0.000 0.202 358 D C 2.148 178.441 176.300 -0.012 0.000 0.974 358 D CA 1.023 55.021 54.000 -0.003 0.000 0.841 358 D CB 0.041 40.826 40.800 -0.024 0.000 0.953 358 D HN 0.379 nan 8.370 nan 0.000 0.478 359 I N 1.337 121.880 120.570 -0.044 0.000 2.252 359 I HA -0.209 3.961 4.170 0.000 0.000 0.245 359 I C 2.563 178.708 176.117 0.046 0.000 1.102 359 I CA 0.783 62.052 61.300 -0.051 0.000 1.385 359 I CB -0.186 37.688 38.000 -0.210 0.000 1.064 359 I HN -0.097 nan 8.210 nan 0.000 0.414 360 A N 0.999 123.874 122.820 0.091 0.000 1.902 360 A HA -0.196 4.124 4.320 0.000 0.000 0.217 360 A C 2.396 180.036 177.584 0.092 0.000 1.181 360 A CA 1.454 53.565 52.037 0.124 0.000 0.623 360 A CB -0.546 18.550 19.000 0.160 0.000 0.818 360 A HN 0.305 nan 8.150 nan 0.000 0.443 361 R N -0.549 119.993 120.500 0.070 0.000 2.096 361 R HA -0.061 4.279 4.340 0.000 0.000 0.235 361 R C 2.467 178.786 176.300 0.031 0.000 1.127 361 R CA 1.124 57.255 56.100 0.053 0.000 0.968 361 R CB -0.446 29.878 30.300 0.040 0.000 0.861 361 R HN 0.521 nan 8.270 nan 0.000 0.440 362 A N 0.630 123.466 122.820 0.026 0.000 1.877 362 A HA -0.119 4.201 4.320 0.000 0.000 0.216 362 A C 2.344 179.936 177.584 0.015 0.000 1.186 362 A CA 1.387 53.434 52.037 0.017 0.000 0.620 362 A CB -0.559 18.452 19.000 0.019 0.000 0.822 362 A HN 0.115 nan 8.150 nan 0.000 0.443 363 V N 0.997 120.934 119.914 0.039 0.000 2.295 363 V HA -0.248 3.873 4.120 0.000 0.000 0.246 363 V C 2.278 178.359 176.094 -0.022 0.000 1.049 363 V CA 2.179 64.501 62.300 0.036 0.000 1.024 363 V CB -0.947 30.928 31.823 0.087 0.000 0.648 363 V HN 0.560 nan 8.190 nan 0.000 0.447 364 N N 0.186 118.883 118.700 -0.006 0.000 2.188 364 N HA -0.144 4.596 4.740 0.000 0.000 0.184 364 N C 1.530 177.014 175.510 -0.043 0.000 1.018 364 N CA 1.426 54.456 53.050 -0.034 0.000 0.858 364 N CB -0.483 38.014 38.487 0.017 0.000 0.989 364 N HN 0.456 nan 8.380 nan 0.000 0.426 365 D N 0.747 121.130 120.400 -0.028 0.000 2.144 365 D HA -0.078 4.562 4.640 0.000 0.000 0.199 365 D C 1.995 178.252 176.300 -0.071 0.000 0.984 365 D CA 0.720 54.699 54.000 -0.035 0.000 0.834 365 D CB -0.075 40.711 40.800 -0.022 0.000 0.955 365 D HN 0.259 nan 8.370 nan 0.000 0.465 366 R N 0.252 120.687 120.500 -0.108 0.000 2.081 366 R HA -0.072 4.268 4.340 0.000 0.000 0.235 366 R C 2.372 178.564 176.300 -0.179 0.000 1.131 366 R CA 0.665 56.657 56.100 -0.181 0.000 0.960 366 R CB -0.360 29.746 30.300 -0.324 0.000 0.856 366 R HN 0.096 nan 8.270 nan 0.000 0.436 367 V N 1.060 120.879 119.914 -0.158 0.000 2.295 367 V HA -0.234 3.886 4.120 0.000 0.000 0.246 367 V C 2.334 178.370 176.094 -0.096 0.000 1.049 367 V CA 1.594 63.814 62.300 -0.133 0.000 1.024 367 V CB -0.433 31.312 31.823 -0.129 0.000 0.648 367 V HN 0.250 nan 8.190 nan 0.000 0.447 368 R N 0.325 120.779 120.500 -0.077 0.000 2.152 368 R HA 0.013 4.354 4.340 0.000 0.000 0.232 368 R C 2.064 178.335 176.300 -0.047 0.000 1.117 368 R CA 1.299 57.369 56.100 -0.050 0.000 0.981 368 R CB -0.975 29.307 30.300 -0.029 0.000 0.870 368 R HN 0.541 nan 8.270 nan 0.000 0.451 369 A N -0.614 122.170 122.820 -0.061 0.000 2.238 369 A HA 0.299 4.619 4.320 0.000 0.000 0.208 369 A C 1.328 178.877 177.584 -0.059 0.000 1.177 369 A CA 1.013 53.017 52.037 -0.055 0.000 0.804 369 A CB 0.147 19.110 19.000 -0.062 0.000 0.823 369 A HN 0.398 nan 8.150 nan 0.000 0.482 370 G N -1.686 107.074 108.800 -0.067 0.000 2.260 370 G HA2 -0.166 3.794 3.960 0.000 0.000 0.179 370 G HA3 -0.166 3.794 3.960 0.000 0.000 0.179 370 G C 0.191 175.047 174.900 -0.073 0.000 1.002 370 G CA 0.099 45.163 45.100 -0.059 0.000 0.677 370 G HN 0.591 nan 8.290 nan 0.000 0.486 371 Q N 1.563 121.295 119.800 -0.114 0.000 2.297 371 Q HA 0.434 4.774 4.340 0.000 0.000 0.267 371 Q C -0.032 175.912 176.000 -0.093 0.000 1.006 371 Q CA 0.186 55.906 55.803 -0.137 0.000 0.896 371 Q CB 0.679 29.244 28.738 -0.287 0.000 1.186 371 Q HN 0.256 nan 8.270 nan 0.000 0.392 372 E N 5.220 125.392 120.200 -0.046 0.000 2.366 372 E HA 0.166 4.516 4.350 0.000 0.000 0.266 372 E C -2.486 174.109 176.600 -0.008 0.000 1.015 372 E CA -1.442 54.946 56.400 -0.020 0.000 0.906 372 E CB 0.573 30.277 29.700 0.007 0.000 0.979 372 E HN 0.559 nan 8.360 nan 0.000 0.443 373 P HA 0.119 nan 4.420 nan 0.000 0.267 373 P C -0.490 176.840 177.300 0.050 0.000 1.200 373 P CA 0.149 63.247 63.100 -0.004 0.000 0.772 373 P CB 0.377 32.050 31.700 -0.044 0.000 0.855 374 L N 2.017 123.297 121.223 0.096 0.000 2.352 374 L HA 0.450 4.791 4.340 0.000 0.000 0.269 374 L C 0.620 177.537 176.870 0.079 0.000 1.034 374 L CA -1.216 53.692 54.840 0.113 0.000 0.806 374 L CB 0.941 43.097 42.059 0.162 0.000 1.244 374 L HN 0.300 nan 8.230 nan 0.000 0.447 375 L N 2.190 123.466 121.223 0.088 0.000 2.426 375 L HA 0.363 4.703 4.340 0.000 0.000 0.271 375 L C -0.568 176.345 176.870 0.072 0.000 1.169 375 L CA 0.156 55.043 54.840 0.077 0.000 0.836 375 L CB 0.604 42.746 42.059 0.139 0.000 1.112 375 L HN 0.388 nan 8.230 nan 0.000 0.465 376 I N 4.862 125.465 120.570 0.056 0.000 2.404 376 I HA 0.490 4.661 4.170 0.000 0.000 0.293 376 I C -0.093 176.059 176.117 0.059 0.000 0.992 376 I CA -0.547 60.787 61.300 0.055 0.000 1.149 376 I CB 1.762 39.796 38.000 0.057 0.000 1.315 376 I HN 0.718 nan 8.210 nan 0.000 0.446 377 A N 5.302 128.148 122.820 0.043 0.000 2.288 377 A HA 0.884 5.204 4.320 0.000 0.000 0.320 377 A C -0.465 177.145 177.584 0.044 0.000 1.217 377 A CA -0.417 51.652 52.037 0.053 0.000 0.840 377 A CB 1.039 20.020 19.000 -0.033 0.000 1.179 377 A HN 0.791 nan 8.150 nan 0.000 0.504 378 A N 2.189 125.066 122.820 0.095 0.000 2.374 378 A HA 0.695 5.015 4.320 0.000 0.000 0.317 378 A C -0.390 177.223 177.584 0.048 0.000 1.094 378 A CA -0.582 51.471 52.037 0.027 0.000 0.765 378 A CB 0.993 19.996 19.000 0.005 0.000 1.268 378 A HN 0.809 nan 8.150 nan 0.000 0.438 379 D N 0.369 120.740 120.400 -0.048 0.000 2.478 379 D HA 0.422 5.062 4.640 0.000 0.000 0.269 379 D C -0.389 175.837 176.300 -0.124 0.000 1.232 379 D CA -0.247 53.712 54.000 -0.068 0.000 1.059 379 D CB 1.000 41.730 40.800 -0.118 0.000 1.104 379 D HN 0.452 nan 8.370 nan 0.000 0.566 380 M N 0.188 119.704 119.600 -0.140 0.000 2.188 380 M HA 0.449 4.929 4.480 0.000 0.000 0.357 380 M C -0.160 176.069 176.300 -0.118 0.000 1.204 380 M CA 0.294 55.499 55.300 -0.158 0.000 1.095 380 M CB 0.513 33.010 32.600 -0.171 0.000 1.604 380 M HN 0.464 nan 8.290 nan 0.000 0.464 381 G N 3.532 112.286 108.800 -0.077 0.000 2.362 381 G HA2 -0.019 3.942 3.960 0.000 0.000 0.288 381 G HA3 -0.019 3.942 3.960 0.000 0.000 0.288 381 G C -0.514 174.389 174.900 0.004 0.000 1.305 381 G CA -0.202 44.859 45.100 -0.065 0.000 0.910 381 G HN 0.570 nan 8.290 nan 0.000 0.518 382 D N -0.397 119.966 120.400 -0.062 0.000 2.309 382 D HA -0.095 4.545 4.640 0.000 0.000 0.212 382 D C 2.583 178.837 176.300 -0.077 0.000 0.968 382 D CA 2.078 56.076 54.000 -0.004 0.000 0.882 382 D CB -0.463 40.335 40.800 -0.004 0.000 0.918 382 D HN 0.743 nan 8.370 nan 0.000 0.503 383 C N -0.614 118.441 119.300 -0.409 0.000 2.413 383 C HA -0.071 4.390 4.460 0.000 0.000 0.277 383 C C 2.533 177.360 174.990 -0.272 0.000 1.265 383 C CA 0.258 58.798 59.018 -0.797 0.000 1.752 383 C CB -1.480 25.730 27.740 -0.882 0.000 1.998 383 C HN 0.319 nan 8.230 nan 0.000 0.489 384 L N 0.377 121.531 121.223 -0.115 0.000 2.072 384 L HA 0.181 4.522 4.340 0.000 0.000 0.205 384 L C 2.327 179.187 176.870 -0.015 0.000 1.079 384 L CA 1.705 56.501 54.840 -0.074 0.000 0.752 384 L CB -1.143 40.804 42.059 -0.188 0.000 0.906 384 L HN 0.295 nan 8.230 nan 0.000 0.436 385 F N -0.349 119.595 119.950 -0.010 0.000 2.216 385 F HA -0.179 4.349 4.527 0.001 0.000 0.300 385 F C 2.295 178.136 175.800 0.068 0.000 1.085 385 F CA 1.711 59.746 58.000 0.058 0.000 1.326 385 F CB -0.895 38.115 39.000 0.018 0.000 1.027 385 F HN 0.064 nan 8.300 nan 0.000 0.497 386 T N -0.507 114.188 114.554 0.236 0.000 2.857 386 T HA -0.079 4.271 4.350 0.000 0.000 0.266 386 T C 2.276 177.089 174.700 0.189 0.000 1.048 386 T CA 1.044 63.286 62.100 0.238 0.000 1.139 386 T CB -0.504 68.578 68.868 0.358 0.000 0.874 386 T HN 0.282 nan 8.240 nan 0.000 0.455 387 A N 1.938 124.837 122.820 0.131 0.000 2.019 387 A HA -0.046 4.274 4.320 0.000 0.000 0.219 387 A C 2.201 179.850 177.584 0.108 0.000 1.164 387 A CA 1.091 53.197 52.037 0.116 0.000 0.644 387 A CB -0.606 18.441 19.000 0.078 0.000 0.805 387 A HN 0.298 nan 8.150 nan 0.000 0.449 388 M N 0.020 119.669 119.600 0.081 0.000 2.346 388 M HA -0.096 4.384 4.480 0.000 0.000 0.263 388 M C 0.234 176.549 176.300 0.025 0.000 1.064 388 M CA 1.118 56.429 55.300 0.020 0.000 1.083 388 M CB -0.992 31.567 32.600 -0.070 0.000 1.399 388 M HN 0.258 nan 8.290 nan 0.000 0.435 389 D N -0.282 120.201 120.400 0.138 0.000 2.388 389 D HA 0.267 4.907 4.640 0.000 0.000 0.221 389 D C 0.088 176.622 176.300 0.390 0.000 1.133 389 D CA 0.157 54.311 54.000 0.257 0.000 0.831 389 D CB 0.323 41.273 40.800 0.250 0.000 0.962 389 D HN 0.285 nan 8.370 nan 0.000 0.502 390 M N 0.573 120.333 119.600 0.268 0.000 2.336 390 M HA 0.377 4.857 4.480 0.000 0.000 0.342 390 M C 0.018 176.278 176.300 -0.066 0.000 1.128 390 M CA -0.709 54.669 55.300 0.131 0.000 1.016 390 M CB 2.599 35.262 32.600 0.104 0.000 1.665 390 M HN -0.284 nan 8.290 nan 0.000 0.445 391 I N 3.151 123.513 120.570 -0.346 0.000 2.471 391 I HA 0.051 4.221 4.170 0.000 0.000 0.286 391 I C -0.276 175.714 176.117 -0.211 0.000 1.079 391 I CA 0.134 61.106 61.300 -0.546 0.000 1.398 391 I CB 0.105 37.772 38.000 -0.555 0.000 1.403 391 I HN 0.688 nan 8.210 nan 0.000 0.530 392 D N 4.946 125.255 120.400 -0.152 0.000 2.636 392 D HA 0.626 5.266 4.640 0.000 0.000 0.275 392 D C -0.541 175.724 176.300 -0.057 0.000 1.130 392 D CA -0.873 53.088 54.000 -0.064 0.000 1.031 392 D CB 1.595 42.378 40.800 -0.028 0.000 1.451 392 D HN 0.388 nan 8.370 nan 0.000 0.505 393 A N -0.172 122.632 122.820 -0.028 0.000 2.911 393 A HA 0.740 5.061 4.320 0.000 0.000 0.304 393 A C 0.618 178.176 177.584 -0.043 0.000 1.144 393 A CA 0.174 52.193 52.037 -0.031 0.000 0.988 393 A CB -1.000 17.998 19.000 -0.003 0.000 1.141 393 A HN 1.423 nan 8.150 nan 0.000 0.552 394 G N -0.725 108.041 108.800 -0.056 0.000 2.592 394 G HA2 0.373 4.333 3.960 0.000 0.000 0.685 394 G HA3 0.373 4.333 3.960 0.000 0.000 0.685 394 G C -1.476 173.393 174.900 -0.051 0.000 1.278 394 G CA -0.350 44.705 45.100 -0.076 0.000 0.822 394 G HN 1.403 nan 8.290 nan 0.000 0.652 395 L N 2.255 123.426 121.223 -0.086 0.000 2.406 395 L HA 0.918 5.258 4.340 0.000 0.000 0.272 395 L C -0.253 176.582 176.870 -0.058 0.000 0.980 395 L CA -0.925 53.883 54.840 -0.053 0.000 0.831 395 L CB 1.839 43.852 42.059 -0.076 0.000 1.253 395 L HN 0.889 nan 8.230 nan 0.000 0.406 396 M N 5.171 124.801 119.600 0.050 0.000 2.125 396 M HA 0.857 5.338 4.480 0.000 0.000 0.321 396 M C -1.219 175.213 176.300 0.220 0.000 0.983 396 M CA -0.236 55.138 55.300 0.123 0.000 0.934 396 M CB 1.326 34.041 32.600 0.193 0.000 1.542 396 M HN 0.884 nan 8.290 nan 0.000 0.424 397 A N 5.541 128.410 122.820 0.082 0.000 2.601 397 A HA 0.782 5.102 4.320 0.000 0.000 0.291 397 A C -2.907 174.419 177.584 -0.430 0.000 1.075 397 A CA -0.882 51.095 52.037 -0.099 0.000 0.671 397 A CB 1.365 20.410 19.000 0.074 0.000 1.277 397 A HN 0.599 nan 8.150 nan 0.000 0.417 398 P HA 0.157 nan 4.420 nan 0.000 0.218 398 P C 1.008 178.085 177.300 -0.372 0.000 1.793 398 P CA 0.542 63.336 63.100 -0.510 0.000 0.941 398 P CB -0.129 31.299 31.700 -0.453 0.000 1.919 399 G N 0.263 108.822 108.800 -0.402 0.000 2.479 399 G HA2 -0.244 3.716 3.960 0.000 0.000 0.220 399 G HA3 -0.244 3.716 3.960 0.000 0.000 0.220 399 G C 0.642 175.327 174.900 -0.359 0.000 1.115 399 G CA 0.778 45.437 45.100 -0.736 0.000 0.757 399 G HN 0.249 nan 8.290 nan 0.000 0.560 400 Y N -2.299 117.899 120.300 -0.170 0.000 2.506 400 Y HA 0.241 4.791 4.550 0.001 0.000 0.287 400 Y C 2.166 178.044 175.900 -0.035 0.000 1.147 400 Y CA -0.896 57.156 58.100 -0.080 0.000 1.241 400 Y CB -1.032 37.450 38.460 0.037 0.000 1.279 400 Y HN 0.186 nan 8.280 nan 0.000 0.527 401 Y N 1.383 121.697 120.300 0.024 0.000 2.293 401 Y HA 0.155 4.705 4.550 0.001 0.000 0.291 401 Y C 1.846 177.701 175.900 -0.076 0.000 1.137 401 Y CA 1.114 59.205 58.100 -0.014 0.000 1.202 401 Y CB -0.372 38.076 38.460 -0.019 0.000 0.990 401 Y HN 0.173 nan 8.280 nan 0.000 0.537 402 A N -0.287 122.445 122.820 -0.146 0.000 2.826 402 A HA -0.182 4.139 4.320 0.000 0.000 0.274 402 A C 0.925 178.352 177.584 -0.262 0.000 1.443 402 A CA 0.755 52.645 52.037 -0.246 0.000 0.833 402 A CB -2.229 16.628 19.000 -0.238 0.000 1.023 402 A HN 0.841 nan 8.150 nan 0.000 0.600 403 G N -0.977 107.695 108.800 -0.213 0.000 2.372 403 G HA2 0.558 4.518 3.960 0.000 0.000 0.283 403 G HA3 0.558 4.518 3.960 0.000 0.000 0.283 403 G C 0.018 174.888 174.900 -0.051 0.000 1.177 403 G CA -0.361 44.660 45.100 -0.130 0.000 0.842 403 G HN 0.493 nan 8.290 nan 0.000 0.503 404 M N 1.236 120.802 119.600 -0.056 0.000 2.255 404 M HA 0.438 4.918 4.480 0.000 0.000 0.336 404 M C 1.371 177.650 176.300 -0.035 0.000 1.135 404 M CA 1.321 56.582 55.300 -0.065 0.000 1.145 404 M CB 1.417 33.978 32.600 -0.065 0.000 1.473 404 M HN 0.927 nan 8.290 nan 0.000 0.462 405 G N 0.952 109.676 108.800 -0.127 0.000 2.218 405 G HA2 -0.276 3.685 3.960 0.000 0.000 0.216 405 G HA3 -0.276 3.685 3.960 0.000 0.000 0.216 405 G C 0.480 175.037 174.900 -0.572 0.000 0.994 405 G CA 0.272 45.274 45.100 -0.163 0.000 0.637 405 G HN 0.734 nan 8.290 nan 0.000 0.505 406 F N 2.422 121.763 119.950 -1.013 0.000 2.186 406 F HA 0.205 4.732 4.527 0.000 0.000 0.299 406 F C 2.399 177.835 175.800 -0.606 0.000 1.090 406 F CA 2.543 59.778 58.000 -1.275 0.000 1.307 406 F CB -0.408 38.113 39.000 -0.798 0.000 1.019 406 F HN 0.221 nan 8.300 nan 0.000 0.489 407 G N 0.450 109.096 108.800 -0.256 0.000 2.628 407 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 407 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 407 G C 1.734 176.449 174.900 -0.310 0.000 1.240 407 G CA 1.688 46.659 45.100 -0.216 0.000 0.792 407 G HN 0.311 nan 8.290 nan 0.000 0.593 408 V N 2.245 121.974 119.914 -0.308 0.000 2.295 408 V HA -0.106 4.015 4.120 0.000 0.000 0.246 408 V C 0.357 176.263 176.094 -0.313 0.000 1.049 408 V CA 2.356 64.473 62.300 -0.306 0.000 1.024 408 V CB -1.048 30.540 31.823 -0.392 0.000 0.648 408 V HN 0.300 nan 8.190 nan 0.000 0.447 409 P HA -0.118 nan 4.420 nan 0.000 0.218 409 P C 1.612 178.680 177.300 -0.386 0.000 1.149 409 P CA 1.858 64.798 63.100 -0.267 0.000 0.817 409 P CB -0.114 31.526 31.700 -0.099 0.000 0.785 410 A N -0.202 122.256 122.820 -0.603 0.000 1.898 410 A HA -0.024 4.296 4.320 0.000 0.000 0.216 410 A C 2.472 179.828 177.584 -0.380 0.000 1.181 410 A CA 1.885 53.506 52.037 -0.694 0.000 0.620 410 A CB -1.832 16.363 19.000 -1.341 0.000 0.819 410 A HN 0.262 nan 8.150 nan 0.000 0.442 411 G N 0.035 108.654 108.800 -0.301 0.000 2.422 411 G HA2 -0.186 3.774 3.960 0.000 0.000 0.218 411 G HA3 -0.186 3.774 3.960 0.000 0.000 0.218 411 G C 1.520 176.310 174.900 -0.184 0.000 1.146 411 G CA 1.137 46.123 45.100 -0.189 0.000 0.769 411 G HN 0.470 nan 8.290 nan 0.000 0.547 412 I N 1.097 121.542 120.570 -0.208 0.000 2.202 412 I HA -0.061 4.109 4.170 0.000 0.000 0.242 412 I C 3.088 179.107 176.117 -0.162 0.000 1.091 412 I CA 1.037 62.236 61.300 -0.169 0.000 1.368 412 I CB -0.412 37.492 38.000 -0.161 0.000 1.058 412 I HN 0.244 nan 8.210 nan 0.000 0.410 413 G N 0.374 109.016 108.800 -0.263 0.000 2.418 413 G HA2 -0.242 3.719 3.960 0.000 0.000 0.217 413 G HA3 -0.242 3.719 3.960 0.000 0.000 0.217 413 G C 1.850 176.680 174.900 -0.116 0.000 1.158 413 G CA 0.838 45.756 45.100 -0.304 0.000 0.771 413 G HN 0.487 nan 8.290 nan 0.000 0.545 414 A N 0.228 122.940 122.820 -0.180 0.000 1.877 414 A HA -0.102 4.219 4.320 0.000 0.000 0.216 414 A C 2.288 179.636 177.584 -0.393 0.000 1.186 414 A CA 2.062 53.943 52.037 -0.260 0.000 0.620 414 A CB -0.529 18.390 19.000 -0.134 0.000 0.822 414 A HN 0.452 nan 8.150 nan 0.000 0.443 415 Q N -1.042 118.612 119.800 -0.243 0.000 2.224 415 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 415 Q C 1.958 177.855 176.000 -0.172 0.000 0.970 415 Q CA 1.578 57.254 55.803 -0.211 0.000 0.865 415 Q CB -0.395 28.265 28.738 -0.130 0.000 0.922 415 Q HN 0.697 nan 8.270 nan 0.000 0.445 416 C N -0.541 118.688 119.300 -0.118 0.000 2.419 416 C HA -0.078 4.383 4.460 0.000 0.000 0.281 416 C C 2.189 177.149 174.990 -0.050 0.000 1.336 416 C CA 0.983 59.939 59.018 -0.103 0.000 1.770 416 C CB -0.652 27.048 27.740 -0.066 0.000 1.929 416 C HN 0.630 nan 8.230 nan 0.000 0.509 417 V N -0.668 119.193 119.914 -0.088 0.000 3.483 417 V HA 0.212 4.332 4.120 0.000 0.000 0.301 417 V C 1.534 177.513 176.094 -0.193 0.000 1.389 417 V CA 1.117 63.371 62.300 -0.077 0.000 1.101 417 V CB -0.668 31.163 31.823 0.014 0.000 0.971 417 V HN 0.460 nan 8.190 nan 0.000 0.434 418 S N 0.335 115.834 115.700 -0.334 0.000 2.593 418 S HA 0.313 4.783 4.470 0.000 0.000 0.217 418 S C 1.649 176.225 174.600 -0.039 0.000 0.966 418 S CA 0.591 58.607 58.200 -0.306 0.000 0.914 418 S CB -0.459 62.491 63.200 -0.417 0.000 0.776 418 S HN 1.920 nan 8.310 nan 0.000 0.523 419 G N 0.776 109.560 108.800 -0.027 0.000 2.323 419 G HA2 0.090 4.050 3.960 0.000 0.000 0.292 419 G HA3 0.090 4.050 3.960 0.000 0.000 0.292 419 G C 1.065 175.972 174.900 0.011 0.000 1.040 419 G CA 0.335 45.441 45.100 0.010 0.000 0.942 419 G HN 1.831 nan 8.290 nan 0.000 0.506 420 G N -1.459 107.336 108.800 -0.009 0.000 2.199 420 G HA2 -0.274 3.686 3.960 0.000 0.000 0.254 420 G HA3 -0.274 3.686 3.960 0.000 0.000 0.254 420 G C 0.562 175.468 174.900 0.010 0.000 0.982 420 G CA 0.793 45.893 45.100 -0.000 0.000 0.632 420 G HN 0.959 nan 8.290 nan 0.000 0.529 421 K N 1.101 121.514 120.400 0.020 0.000 2.412 421 K HA 0.255 4.575 4.320 0.000 0.000 0.284 421 K C 0.840 177.453 176.600 0.022 0.000 1.046 421 K CA -0.361 55.955 56.287 0.049 0.000 0.999 421 K CB 0.889 33.456 32.500 0.110 0.000 0.941 421 K HN 0.491 nan 8.250 nan 0.000 0.474 422 R N 2.845 123.363 120.500 0.030 0.000 2.543 422 R HA 0.169 4.509 4.340 0.000 0.000 0.277 422 R C -0.005 176.301 176.300 0.010 0.000 1.074 422 R CA -0.293 55.808 56.100 0.001 0.000 1.076 422 R CB 0.489 30.783 30.300 -0.011 0.000 0.993 422 R HN 0.392 nan 8.270 nan 0.000 0.459 423 I N 5.012 125.569 120.570 -0.022 0.000 2.441 423 I HA 0.225 4.395 4.170 0.000 0.000 0.295 423 I C -0.492 175.607 176.117 -0.029 0.000 0.994 423 I CA -0.996 60.299 61.300 -0.009 0.000 1.144 423 I CB 1.320 39.298 38.000 -0.035 0.000 1.314 423 I HN 0.497 nan 8.210 nan 0.000 0.445 424 L N 6.049 127.274 121.223 0.003 0.000 2.272 424 L HA 0.525 4.865 4.340 0.000 0.000 0.289 424 L C -0.162 176.714 176.870 0.010 0.000 1.032 424 L CA 0.380 55.220 54.840 0.001 0.000 0.810 424 L CB 1.255 43.352 42.059 0.062 0.000 1.205 424 L HN 0.584 nan 8.230 nan 0.000 0.422 425 T N 5.087 119.637 114.554 -0.007 0.000 2.794 425 T HA 0.634 4.984 4.350 0.000 0.000 0.280 425 T C -0.600 174.112 174.700 0.019 0.000 0.987 425 T CA -0.415 61.676 62.100 -0.015 0.000 0.993 425 T CB 1.403 70.234 68.868 -0.061 0.000 0.939 425 T HN 0.555 nan 8.240 nan 0.000 0.449 426 V N 1.370 121.288 119.914 0.005 0.000 2.495 426 V HA 0.977 5.097 4.120 0.000 0.000 0.298 426 V C -0.426 175.593 176.094 -0.125 0.000 1.031 426 V CA -0.838 61.461 62.300 -0.002 0.000 0.871 426 V CB 1.395 33.209 31.823 -0.013 0.000 0.988 426 V HN 0.698 nan 8.190 nan 0.000 0.432 427 V N 3.245 123.078 119.914 -0.135 0.000 3.077 427 V HA 0.889 5.010 4.120 0.000 0.000 0.299 427 V C 0.391 176.404 176.094 -0.134 0.000 1.276 427 V CA 0.503 62.713 62.300 -0.150 0.000 0.993 427 V CB 2.111 33.892 31.823 -0.070 0.000 1.076 427 V HN 1.456 nan 8.190 nan 0.000 0.434 428 G N 2.664 111.378 108.800 -0.143 0.000 2.547 428 G HA2 0.378 4.338 3.960 0.000 0.000 0.291 428 G HA3 0.378 4.338 3.960 0.000 0.000 0.291 428 G C 0.599 175.448 174.900 -0.085 0.000 1.211 428 G CA 0.372 45.433 45.100 -0.065 0.000 0.950 428 G HN 0.952 nan 8.290 nan 0.000 0.504 429 D N -0.428 119.935 120.400 -0.061 0.000 2.144 429 D HA -0.098 4.543 4.640 0.000 0.000 0.200 429 D C 2.197 178.450 176.300 -0.080 0.000 0.978 429 D CA 1.325 55.244 54.000 -0.135 0.000 0.833 429 D CB -0.874 39.971 40.800 0.075 0.000 0.961 429 D HN 0.475 nan 8.370 nan 0.000 0.470 430 G N 1.020 109.846 108.800 0.042 0.000 2.421 430 G HA2 -0.141 3.819 3.960 0.000 0.000 0.216 430 G HA3 -0.141 3.819 3.960 0.000 0.000 0.216 430 G C 1.861 176.837 174.900 0.126 0.000 1.171 430 G CA 1.615 46.832 45.100 0.195 0.000 0.775 430 G HN 0.514 nan 8.290 nan 0.000 0.543 431 A N 0.071 122.915 122.820 0.040 0.000 1.930 431 A HA 0.142 4.462 4.320 0.000 0.000 0.217 431 A C 2.162 179.667 177.584 -0.131 0.000 1.175 431 A CA 1.321 53.335 52.037 -0.037 0.000 0.627 431 A CB -0.498 18.454 19.000 -0.079 0.000 0.815 431 A HN 0.363 nan 8.150 nan 0.000 0.443 432 F N 0.736 120.471 119.950 -0.358 0.000 2.171 432 F HA -0.196 4.331 4.527 0.000 0.000 0.300 432 F C 2.472 177.927 175.800 -0.574 0.000 1.090 432 F CA 2.031 59.677 58.000 -0.590 0.000 1.293 432 F CB -0.167 38.276 39.000 -0.928 0.000 1.013 432 F HN 0.298 nan 8.300 nan 0.000 0.486 433 Q N -0.443 119.292 119.800 -0.107 0.000 2.291 433 Q HA -0.219 4.122 4.340 0.000 0.000 0.206 433 Q C 2.058 178.251 176.000 0.321 0.000 0.976 433 Q CA 1.665 57.555 55.803 0.144 0.000 0.875 433 Q CB -0.155 28.508 28.738 -0.125 0.000 0.927 433 Q HN 0.533 nan 8.270 nan 0.000 0.450 434 M N -0.867 118.790 119.600 0.096 0.000 2.191 434 M HA -0.052 4.428 4.480 0.000 0.000 0.262 434 M C 1.747 178.131 176.300 0.140 0.000 1.083 434 M CA 1.687 57.083 55.300 0.162 0.000 1.154 434 M CB 0.258 32.920 32.600 0.104 0.000 1.344 434 M HN 0.194 nan 8.290 nan 0.000 0.431 435 T N -4.452 110.021 114.554 -0.136 0.000 3.192 435 T HA 0.264 4.615 4.350 0.000 0.000 0.295 435 T C 1.401 175.757 174.700 -0.575 0.000 0.947 435 T CA 0.210 62.210 62.100 -0.167 0.000 0.916 435 T CB -0.128 68.709 68.868 -0.052 0.000 1.169 435 T HN 0.343 nan 8.240 nan 0.000 0.540 436 G N 0.979 109.002 108.800 -1.295 0.000 2.470 436 G HA2 -0.064 3.896 3.960 0.000 0.000 0.220 436 G HA3 -0.064 3.896 3.960 0.000 0.000 0.220 436 G C 0.987 175.000 174.900 -1.478 0.000 1.121 436 G CA 0.255 44.059 45.100 -2.160 0.000 0.766 436 G HN 0.699 nan 8.290 nan 0.000 0.553 437 W N 1.081 122.058 121.300 -0.539 0.000 2.468 437 W HA 0.083 4.743 4.660 0.000 0.000 0.262 437 W C 2.102 178.538 176.519 -0.139 0.000 1.241 437 W CA 0.319 57.559 57.345 -0.174 0.000 1.232 437 W CB 0.107 29.548 29.460 -0.032 0.000 1.124 437 W HN 0.124 nan 8.180 nan 0.000 0.597 438 E N 0.818 120.973 120.200 -0.075 0.000 2.333 438 E HA -0.143 4.207 4.350 0.000 0.000 0.198 438 E C 1.937 178.472 176.600 -0.108 0.000 1.007 438 E CA 0.822 57.194 56.400 -0.046 0.000 0.845 438 E CB -0.535 29.119 29.700 -0.076 0.000 0.766 438 E HN 0.475 nan 8.360 nan 0.000 0.507 439 L N 0.071 121.145 121.223 -0.250 0.000 2.265 439 L HA -0.101 4.239 4.340 0.000 0.000 0.215 439 L C 2.275 179.062 176.870 -0.139 0.000 1.117 439 L CA 0.914 55.497 54.840 -0.428 0.000 0.782 439 L CB -0.517 40.940 42.059 -1.004 0.000 0.914 439 L HN 0.148 nan 8.230 nan 0.000 0.441 440 G N -0.454 108.380 108.800 0.058 0.000 2.535 440 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 440 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 440 G C 1.260 176.249 174.900 0.150 0.000 1.122 440 G CA 0.338 45.553 45.100 0.191 0.000 0.769 440 G HN 0.389 nan 8.290 nan 0.000 0.549 441 N N -0.399 118.356 118.700 0.092 0.000 2.336 441 N HA -0.014 4.726 4.740 0.000 0.000 0.189 441 N C 1.761 177.319 175.510 0.080 0.000 1.113 441 N CA 0.036 53.138 53.050 0.086 0.000 0.858 441 N CB 0.081 38.612 38.487 0.073 0.000 0.970 441 N HN 0.190 nan 8.380 nan 0.000 0.471 442 C N 0.878 120.237 119.300 0.098 0.000 2.413 442 C HA -0.079 4.381 4.460 0.000 0.000 0.276 442 C C 2.802 177.854 174.990 0.102 0.000 1.248 442 C CA 0.586 59.667 59.018 0.106 0.000 1.742 442 C CB -0.834 27.033 27.740 0.213 0.000 2.017 442 C HN 0.479 nan 8.230 nan 0.000 0.481 443 R N 0.898 121.473 120.500 0.126 0.000 2.083 443 R HA -0.163 4.177 4.340 0.000 0.000 0.237 443 R C 2.470 178.808 176.300 0.063 0.000 1.137 443 R CA 1.756 57.907 56.100 0.085 0.000 0.951 443 R CB -0.473 29.876 30.300 0.082 0.000 0.851 443 R HN 0.522 nan 8.270 nan 0.000 0.434 444 R N 0.412 120.954 120.500 0.069 0.000 2.096 444 R HA -0.065 4.276 4.340 0.000 0.000 0.235 444 R C 2.200 178.533 176.300 0.054 0.000 1.127 444 R CA 1.221 57.359 56.100 0.063 0.000 0.968 444 R CB -0.163 30.182 30.300 0.075 0.000 0.861 444 R HN 0.276 nan 8.270 nan 0.000 0.440 445 L N -0.372 120.871 121.223 0.034 0.000 2.478 445 L HA 0.150 4.490 4.340 0.000 0.000 0.223 445 L C 1.101 177.949 176.870 -0.036 0.000 1.140 445 L CA 0.581 55.404 54.840 -0.029 0.000 0.842 445 L CB 0.033 42.042 42.059 -0.083 0.000 0.953 445 L HN 0.559 nan 8.230 nan 0.000 0.452 446 G N 1.669 110.471 108.800 0.004 0.000 2.198 446 G HA2 -0.278 3.682 3.960 0.000 0.000 0.257 446 G HA3 -0.278 3.682 3.960 0.000 0.000 0.257 446 G C 0.101 174.997 174.900 -0.006 0.000 1.042 446 G CA 0.617 45.721 45.100 0.005 0.000 0.791 446 G HN 0.491 nan 8.290 nan 0.000 0.502 447 I N -3.462 117.107 120.570 -0.001 0.000 3.002 447 I HA 0.883 5.054 4.170 0.000 0.000 0.310 447 I C -0.575 175.563 176.117 0.035 0.000 1.087 447 I CA -1.112 60.185 61.300 -0.006 0.000 1.017 447 I CB 2.510 40.486 38.000 -0.040 0.000 1.226 447 I HN 0.003 nan 8.210 nan 0.000 0.443 448 D N 1.284 121.701 120.400 0.028 0.000 2.945 448 D HA 0.313 4.953 4.640 0.000 0.000 0.340 448 D C -2.837 173.486 176.300 0.039 0.000 1.240 448 D CA -1.422 52.615 54.000 0.062 0.000 0.749 448 D CB 0.340 41.157 40.800 0.027 0.000 1.217 448 D HN 0.328 nan 8.370 nan 0.000 0.514 449 P HA 0.162 nan 4.420 nan 0.000 0.270 449 P C 0.184 177.484 177.300 -0.000 0.000 1.223 449 P CA -0.306 62.784 63.100 -0.017 0.000 0.785 449 P CB 1.520 33.190 31.700 -0.050 0.000 0.923 450 I N 1.304 121.828 120.570 -0.077 0.000 2.353 450 I HA 0.251 4.421 4.170 0.000 0.000 0.293 450 I C -0.018 176.076 176.117 -0.038 0.000 0.992 450 I CA -0.848 60.395 61.300 -0.096 0.000 1.268 450 I CB 1.563 39.391 38.000 -0.286 0.000 1.387 450 I HN 0.007 nan 8.210 nan 0.000 0.478 451 V N 7.634 127.556 119.914 0.014 0.000 2.483 451 V HA 0.424 4.544 4.120 0.000 0.000 0.297 451 V C -0.077 176.040 176.094 0.040 0.000 1.027 451 V CA -0.472 61.843 62.300 0.023 0.000 0.855 451 V CB 1.858 33.697 31.823 0.027 0.000 0.995 451 V HN 0.475 nan 8.190 nan 0.000 0.424 452 I N 5.751 126.367 120.570 0.077 0.000 2.307 452 I HA 0.398 4.568 4.170 0.000 0.000 0.289 452 I C -0.331 175.899 176.117 0.188 0.000 1.021 452 I CA -0.291 61.078 61.300 0.116 0.000 1.224 452 I CB 1.425 39.532 38.000 0.178 0.000 1.376 452 I HN 0.431 nan 8.210 nan 0.000 0.470 453 L N 7.183 128.445 121.223 0.065 0.000 2.257 453 L HA 0.459 4.799 4.340 0.000 0.000 0.290 453 L C -0.795 176.159 176.870 0.140 0.000 1.044 453 L CA -0.419 54.427 54.840 0.010 0.000 0.810 453 L CB 0.569 42.417 42.059 -0.352 0.000 1.193 453 L HN 0.442 nan 8.230 nan 0.000 0.425 454 F N 4.392 124.284 119.950 -0.098 0.000 2.439 454 F HA 0.154 4.681 4.527 0.000 0.000 0.356 454 F C 0.700 176.472 175.800 -0.047 0.000 1.161 454 F CA -0.458 57.514 58.000 -0.048 0.000 1.151 454 F CB 0.316 39.303 39.000 -0.023 0.000 1.222 454 F HN 0.529 nan 8.300 nan 0.000 0.558 455 N N 3.803 122.566 118.700 0.105 0.000 2.678 455 N HA 0.057 4.798 4.740 0.000 0.000 0.231 455 N C -0.026 175.539 175.510 0.092 0.000 1.038 455 N CA -0.383 52.733 53.050 0.111 0.000 0.932 455 N CB 0.155 38.735 38.487 0.156 0.000 1.176 455 N HN 0.462 nan 8.380 nan 0.000 0.511 456 N N 2.197 120.950 118.700 0.090 0.000 2.214 456 N HA 0.135 4.875 4.740 0.000 0.000 0.214 456 N C 0.209 175.747 175.510 0.046 0.000 1.132 456 N CA -0.007 53.080 53.050 0.061 0.000 0.856 456 N CB 0.106 38.629 38.487 0.060 0.000 1.020 456 N HN 0.320 nan 8.380 nan 0.000 0.509 457 A N -0.856 121.999 122.820 0.059 0.000 2.560 457 A HA -0.054 4.266 4.320 0.000 0.000 0.299 457 A C 0.272 177.842 177.584 -0.022 0.000 1.484 457 A CA 1.025 53.083 52.037 0.036 0.000 0.749 457 A CB -2.033 16.995 19.000 0.048 0.000 1.072 457 A HN 0.793 nan 8.150 nan 0.000 0.426 458 S N -1.252 114.423 115.700 -0.041 0.000 2.565 458 S HA 0.548 5.018 4.470 0.000 0.000 0.274 458 S C -1.389 173.226 174.600 0.025 0.000 1.144 458 S CA -0.417 57.754 58.200 -0.048 0.000 0.849 458 S CB 0.576 63.779 63.200 0.005 0.000 1.103 458 S HN 0.977 nan 8.310 nan 0.000 0.455 459 W N 3.470 124.780 121.300 0.017 0.000 1.978 459 W HA 0.343 5.003 4.660 0.000 0.000 0.373 459 W C 1.110 177.597 176.519 -0.054 0.000 0.813 459 W CA -0.574 56.768 57.345 -0.004 0.000 1.571 459 W CB 0.282 29.768 29.460 0.043 0.000 1.746 459 W HN 0.923 nan 8.180 nan 0.000 0.302 460 E N 1.909 122.175 120.200 0.110 0.000 2.110 460 E HA -0.239 4.111 4.350 0.000 0.000 0.193 460 E C 2.189 178.705 176.600 -0.140 0.000 0.988 460 E CA 1.439 57.833 56.400 -0.010 0.000 0.804 460 E CB -0.133 29.558 29.700 -0.015 0.000 0.745 460 E HN 0.399 nan 8.360 nan 0.000 0.458 461 M N -0.441 119.039 119.600 -0.199 0.000 2.202 461 M HA -0.144 4.336 4.480 0.000 0.000 0.262 461 M C 1.537 177.422 176.300 -0.692 0.000 1.063 461 M CA 1.323 56.341 55.300 -0.470 0.000 1.097 461 M CB 0.026 32.393 32.600 -0.388 0.000 1.382 461 M HN 0.182 nan 8.290 nan 0.000 0.413 462 L N -0.995 120.053 121.223 -0.291 0.000 2.156 462 L HA -0.133 4.207 4.340 0.000 0.000 0.208 462 L C 2.612 179.427 176.870 -0.090 0.000 1.095 462 L CA 0.925 55.685 54.840 -0.132 0.000 0.770 462 L CB -0.818 41.303 42.059 0.104 0.000 0.914 462 L HN 0.369 nan 8.230 nan 0.000 0.439 463 R N 0.600 121.050 120.500 -0.083 0.000 2.096 463 R HA -0.178 4.162 4.340 0.000 0.000 0.235 463 R C 2.422 178.666 176.300 -0.092 0.000 1.127 463 R CA 2.048 58.108 56.100 -0.067 0.000 0.968 463 R CB -0.273 29.996 30.300 -0.051 0.000 0.861 463 R HN 0.469 nan 8.270 nan 0.000 0.440 464 T N -2.116 112.314 114.554 -0.206 0.000 2.881 464 T HA -0.096 4.254 4.350 0.000 0.000 0.270 464 T C 1.738 176.465 174.700 0.045 0.000 1.068 464 T CA 1.139 63.151 62.100 -0.146 0.000 1.131 464 T CB -0.400 68.320 68.868 -0.246 0.000 0.871 464 T HN 0.341 nan 8.240 nan 0.000 0.479 465 F N 0.817 120.775 119.950 0.013 0.000 2.387 465 F HA 0.298 4.826 4.527 0.000 0.000 0.294 465 F C 2.018 177.823 175.800 0.008 0.000 1.093 465 F CA -0.230 57.777 58.000 0.013 0.000 1.420 465 F CB 0.296 39.313 39.000 0.027 0.000 1.086 465 F HN 0.210 nan 8.300 nan 0.000 0.531 466 Q N 0.960 120.865 119.800 0.174 0.000 3.662 466 Q HA 0.154 4.495 4.340 0.000 0.000 0.237 466 Q C -2.162 173.838 176.000 -0.001 0.000 0.895 466 Q CA -1.480 54.375 55.803 0.087 0.000 0.767 466 Q CB 1.154 29.962 28.738 0.118 0.000 1.469 466 Q HN -0.080 nan 8.270 nan 0.000 0.424 467 P HA -0.206 nan 4.420 nan 0.000 0.222 467 P C 0.754 178.014 177.300 -0.066 0.000 1.147 467 P CA 1.081 64.157 63.100 -0.040 0.000 0.790 467 P CB 0.310 31.999 31.700 -0.019 0.000 0.780 468 E N 0.097 120.262 120.200 -0.057 0.000 2.347 468 E HA -0.029 4.321 4.350 0.000 0.000 0.196 468 E C 0.295 176.821 176.600 -0.123 0.000 1.008 468 E CA 0.398 56.760 56.400 -0.064 0.000 0.852 468 E CB -0.703 28.978 29.700 -0.032 0.000 0.783 468 E HN 0.108 nan 8.360 nan 0.000 0.505 469 S N 0.887 116.450 115.700 -0.229 0.000 2.528 469 S HA 0.390 4.861 4.470 0.000 0.000 0.277 469 S C 0.827 175.152 174.600 -0.458 0.000 1.297 469 S CA 0.053 57.972 58.200 -0.469 0.000 1.052 469 S CB 1.582 64.151 63.200 -1.052 0.000 0.917 469 S HN 0.422 nan 8.310 nan 0.000 0.492 470 A N 2.908 125.535 122.820 -0.322 0.000 2.021 470 A HA 0.072 4.392 4.320 0.000 0.000 0.216 470 A C 1.484 179.006 177.584 -0.102 0.000 1.163 470 A CA 0.669 52.614 52.037 -0.153 0.000 0.676 470 A CB -0.637 18.343 19.000 -0.034 0.000 0.818 470 A HN 0.868 nan 8.150 nan 0.000 0.453 471 F N 0.292 120.296 119.950 0.090 0.000 2.546 471 F HA 0.008 4.535 4.527 0.000 0.000 0.298 471 F C 1.138 177.030 175.800 0.154 0.000 1.120 471 F CA 0.835 58.910 58.000 0.125 0.000 1.456 471 F CB -1.487 37.624 39.000 0.185 0.000 1.088 471 F HN 0.197 nan 8.300 nan 0.000 0.572 472 N N -0.298 118.467 118.700 0.110 0.000 2.467 472 N HA -0.065 4.675 4.740 0.000 0.000 0.184 472 N C -0.512 175.001 175.510 0.006 0.000 1.106 472 N CA 0.165 53.356 53.050 0.235 0.000 0.892 472 N CB -0.142 38.430 38.487 0.143 0.000 0.969 472 N HN 0.164 nan 8.380 nan 0.000 0.454 473 D N 1.243 121.619 120.400 -0.040 0.000 2.317 473 D HA 0.168 4.808 4.640 0.000 0.000 0.252 473 D C -0.006 176.222 176.300 -0.120 0.000 1.174 473 D CA 0.247 54.208 54.000 -0.065 0.000 0.866 473 D CB 1.063 41.841 40.800 -0.036 0.000 1.127 473 D HN 0.093 nan 8.370 nan 0.000 0.467 474 L N 1.353 122.488 121.223 -0.147 0.000 2.365 474 L HA 0.376 4.716 4.340 0.000 0.000 0.267 474 L C 0.844 177.723 176.870 0.013 0.000 1.033 474 L CA -1.032 53.722 54.840 -0.143 0.000 0.802 474 L CB 1.120 43.026 42.059 -0.256 0.000 1.267 474 L HN 0.203 nan 8.230 nan 0.000 0.457 475 D N -0.155 120.325 120.400 0.133 0.000 2.433 475 D HA 0.054 4.695 4.640 0.000 0.000 0.255 475 D C -1.021 175.426 176.300 0.245 0.000 1.226 475 D CA -0.237 53.851 54.000 0.146 0.000 1.015 475 D CB 1.241 42.101 40.800 0.100 0.000 1.091 475 D HN 0.455 nan 8.370 nan 0.000 0.527 476 D N 0.109 120.582 120.400 0.122 0.000 2.316 476 D HA 0.183 4.823 4.640 0.000 0.000 0.245 476 D C -1.188 175.157 176.300 0.075 0.000 1.171 476 D CA -0.234 53.829 54.000 0.106 0.000 0.856 476 D CB 0.187 40.998 40.800 0.018 0.000 1.090 476 D HN 0.119 nan 8.370 nan 0.000 0.476 477 W N 3.537 124.663 121.300 -0.290 0.000 2.587 477 W HA 0.425 5.085 4.660 0.001 0.000 0.324 477 W C 0.011 176.156 176.519 -0.624 0.000 1.040 477 W CA -1.016 55.996 57.345 -0.555 0.000 1.222 477 W CB 1.276 30.110 29.460 -1.044 0.000 1.381 477 W HN 0.203 nan 8.180 nan 0.000 0.483 478 R N 3.291 123.678 120.500 -0.187 0.000 3.235 478 R HA 0.249 4.589 4.340 0.000 0.000 0.232 478 R C 0.718 177.016 176.300 -0.004 0.000 1.475 478 R CA -0.296 55.759 56.100 -0.075 0.000 1.405 478 R CB -0.898 29.388 30.300 -0.022 0.000 1.266 478 R HN 0.393 nan 8.270 nan 0.000 0.650 479 F N 0.347 120.370 119.950 0.122 0.000 2.134 479 F HA -0.176 4.352 4.527 0.001 0.000 0.299 479 F C 2.309 178.129 175.800 0.033 0.000 1.097 479 F CA 1.538 59.561 58.000 0.039 0.000 1.264 479 F CB -0.466 38.356 39.000 -0.298 0.000 1.001 479 F HN 0.478 nan 8.300 nan 0.000 0.479 480 A N -0.005 122.930 122.820 0.191 0.000 1.940 480 A HA -0.205 4.115 4.320 0.000 0.000 0.219 480 A C 1.878 179.542 177.584 0.134 0.000 1.176 480 A CA 2.078 54.193 52.037 0.131 0.000 0.631 480 A CB -0.865 18.183 19.000 0.081 0.000 0.814 480 A HN 0.284 nan 8.150 nan 0.000 0.446 481 D N -0.672 119.800 120.400 0.119 0.000 2.310 481 D HA -0.064 4.576 4.640 0.000 0.000 0.212 481 D C 1.670 178.055 176.300 0.142 0.000 0.965 481 D CA 1.013 55.073 54.000 0.100 0.000 0.879 481 D CB -0.208 40.632 40.800 0.066 0.000 0.921 481 D HN 0.540 nan 8.370 nan 0.000 0.510 482 M N -0.453 119.282 119.600 0.225 0.000 2.502 482 M HA 0.190 4.670 4.480 0.000 0.000 0.243 482 M C 1.975 178.480 176.300 0.342 0.000 1.130 482 M CA -0.024 55.456 55.300 0.301 0.000 1.055 482 M CB 0.498 33.379 32.600 0.468 0.000 1.457 482 M HN -0.089 nan 8.290 nan 0.000 0.488 483 A N 0.980 123.986 122.820 0.310 0.000 1.902 483 A HA -0.046 4.274 4.320 0.000 0.000 0.217 483 A C 2.390 180.096 177.584 0.203 0.000 1.181 483 A CA 1.922 54.172 52.037 0.354 0.000 0.623 483 A CB -0.727 18.434 19.000 0.269 0.000 0.818 483 A HN 0.466 nan 8.150 nan 0.000 0.443 484 A N -0.442 122.442 122.820 0.107 0.000 1.940 484 A HA 0.084 4.404 4.320 0.000 0.000 0.219 484 A C 2.348 179.985 177.584 0.089 0.000 1.176 484 A CA 1.869 53.934 52.037 0.047 0.000 0.631 484 A CB -1.330 17.690 19.000 0.033 0.000 0.814 484 A HN 0.794 nan 8.150 nan 0.000 0.446 485 G N -1.236 107.647 108.800 0.138 0.000 2.509 485 G HA2 -0.084 3.876 3.960 0.000 0.000 0.218 485 G HA3 -0.084 3.876 3.960 0.000 0.000 0.218 485 G C 1.331 176.338 174.900 0.178 0.000 1.124 485 G CA 0.931 46.114 45.100 0.139 0.000 0.776 485 G HN 0.507 nan 8.290 nan 0.000 0.547 486 M N 0.066 119.822 119.600 0.259 0.000 2.383 486 M HA 0.269 4.749 4.480 0.000 0.000 0.247 486 M C 1.532 178.034 176.300 0.337 0.000 1.117 486 M CA 0.501 56.005 55.300 0.340 0.000 0.995 486 M CB 0.856 33.760 32.600 0.506 0.000 1.480 486 M HN 0.278 nan 8.290 nan 0.000 0.485 487 G N 0.856 109.749 108.800 0.154 0.000 2.137 487 G HA2 -0.163 3.797 3.960 0.000 0.000 0.237 487 G HA3 -0.163 3.797 3.960 0.000 0.000 0.237 487 G C 0.062 174.817 174.900 -0.242 0.000 1.002 487 G CA -0.094 45.025 45.100 0.031 0.000 0.702 487 G HN 0.618 nan 8.290 nan 0.000 0.515 488 G N -1.253 107.174 108.800 -0.622 0.000 2.816 488 G HA2 0.622 4.582 3.960 0.000 0.000 0.288 488 G HA3 0.622 4.582 3.960 0.000 0.000 0.288 488 G C -1.585 172.902 174.900 -0.688 0.000 1.334 488 G CA -0.452 43.796 45.100 -1.420 0.000 0.978 488 G HN 0.087 nan 8.290 nan 0.000 0.493 489 D N -0.066 119.999 120.400 -0.558 0.000 2.303 489 D HA 0.532 5.172 4.640 0.000 0.000 0.236 489 D C 0.165 176.404 176.300 -0.101 0.000 1.068 489 D CA 0.052 53.919 54.000 -0.221 0.000 0.830 489 D CB 1.624 42.335 40.800 -0.148 0.000 1.109 489 D HN 0.568 nan 8.370 nan 0.000 0.496 490 G N 0.077 108.864 108.800 -0.022 0.000 2.448 490 G HA2 0.580 4.540 3.960 0.000 0.000 0.324 490 G HA3 0.580 4.540 3.960 0.000 0.000 0.324 490 G C -1.165 173.754 174.900 0.032 0.000 1.203 490 G CA -0.710 44.418 45.100 0.046 0.000 0.954 490 G HN 0.340 nan 8.290 nan 0.000 0.480 491 V N 1.728 121.662 119.914 0.034 0.000 2.733 491 V HA 0.712 4.833 4.120 0.000 0.000 0.306 491 V C -0.602 175.507 176.094 0.026 0.000 1.084 491 V CA -1.118 61.197 62.300 0.025 0.000 0.905 491 V CB 1.893 33.725 31.823 0.015 0.000 1.010 491 V HN 0.892 nan 8.190 nan 0.000 0.424 492 R N 5.086 125.602 120.500 0.026 0.000 2.265 492 R HA 0.772 5.112 4.340 0.000 0.000 0.319 492 R C -1.095 175.212 176.300 0.012 0.000 1.006 492 R CA -0.281 55.834 56.100 0.025 0.000 0.880 492 R CB 1.605 31.924 30.300 0.033 0.000 1.077 492 R HN 0.801 nan 8.270 nan 0.000 0.454 493 V N 2.146 122.061 119.914 0.002 0.000 2.604 493 V HA 0.554 4.675 4.120 0.000 0.000 0.305 493 V C 0.249 176.336 176.094 -0.013 0.000 1.043 493 V CA -0.831 61.465 62.300 -0.007 0.000 0.888 493 V CB 2.021 33.836 31.823 -0.013 0.000 0.995 493 V HN 0.927 nan 8.190 nan 0.000 0.429 494 R N 1.410 121.904 120.500 -0.010 0.000 2.342 494 R HA 0.240 4.580 4.340 0.000 0.000 0.204 494 R C 0.702 176.992 176.300 -0.016 0.000 0.882 494 R CA 0.768 56.861 56.100 -0.012 0.000 1.041 494 R CB 0.920 31.217 30.300 -0.005 0.000 1.188 494 R HN 0.916 nan 8.270 nan 0.000 0.598 495 T N -2.319 112.227 114.554 -0.014 0.000 2.950 495 T HA 0.338 4.688 4.350 0.000 0.000 0.288 495 T C 0.885 175.575 174.700 -0.017 0.000 1.035 495 T CA -0.887 61.205 62.100 -0.014 0.000 1.028 495 T CB 2.453 71.316 68.868 -0.008 0.000 1.109 495 T HN -0.083 nan 8.240 nan 0.000 0.514 496 R N 0.481 120.972 120.500 -0.016 0.000 2.096 496 R HA -0.030 4.310 4.340 0.000 0.000 0.235 496 R C 2.622 178.916 176.300 -0.010 0.000 1.127 496 R CA 1.299 57.389 56.100 -0.016 0.000 0.968 496 R CB -0.816 29.476 30.300 -0.012 0.000 0.861 496 R HN 0.814 nan 8.270 nan 0.000 0.440 497 A N 1.425 124.242 122.820 -0.006 0.000 1.898 497 A HA -0.181 4.139 4.320 0.000 0.000 0.216 497 A C 1.888 179.471 177.584 -0.001 0.000 1.181 497 A CA 1.278 53.313 52.037 -0.003 0.000 0.620 497 A CB -0.260 18.739 19.000 -0.002 0.000 0.819 497 A HN 0.306 nan 8.150 nan 0.000 0.442 498 E N -0.690 119.508 120.200 -0.003 0.000 2.106 498 E HA -0.170 4.180 4.350 0.000 0.000 0.192 498 E C 1.937 178.537 176.600 -0.001 0.000 0.984 498 E CA 1.143 57.542 56.400 -0.001 0.000 0.806 498 E CB -0.254 29.444 29.700 -0.003 0.000 0.750 498 E HN 0.536 nan 8.360 nan 0.000 0.458 499 L N 1.661 122.879 121.223 -0.009 0.000 2.017 499 L HA -0.184 4.156 4.340 0.000 0.000 0.208 499 L C 2.145 179.019 176.870 0.006 0.000 1.073 499 L CA 1.843 56.677 54.840 -0.011 0.000 0.745 499 L CB -0.273 41.768 42.059 -0.030 0.000 0.894 499 L HN -0.113 nan 8.230 nan 0.000 0.432 500 K N -0.045 120.358 120.400 0.005 0.000 2.026 500 K HA -0.135 4.185 4.320 0.000 0.000 0.208 500 K C 1.988 178.601 176.600 0.022 0.000 1.048 500 K CA 1.532 57.827 56.287 0.013 0.000 0.929 500 K CB -0.400 32.103 32.500 0.005 0.000 0.713 500 K HN 0.496 nan 8.250 nan 0.000 0.439 501 A N 0.916 123.746 122.820 0.018 0.000 1.902 501 A HA -0.080 4.240 4.320 0.000 0.000 0.217 501 A C 2.364 179.968 177.584 0.033 0.000 1.181 501 A CA 2.101 54.152 52.037 0.022 0.000 0.623 501 A CB -0.668 18.341 19.000 0.014 0.000 0.818 501 A HN 0.420 nan 8.150 nan 0.000 0.443 502 A N -0.744 122.094 122.820 0.030 0.000 1.933 502 A HA -0.003 4.317 4.320 0.000 0.000 0.218 502 A C 2.117 179.739 177.584 0.063 0.000 1.175 502 A CA 1.664 53.722 52.037 0.035 0.000 0.628 502 A CB -0.547 18.466 19.000 0.022 0.000 0.814 502 A HN 0.583 nan 8.150 nan 0.000 0.444 503 L N -0.008 121.265 121.223 0.084 0.000 2.056 503 L HA -0.141 4.199 4.340 0.000 0.000 0.207 503 L C 1.668 178.680 176.870 0.238 0.000 1.078 503 L CA 2.300 57.239 54.840 0.165 0.000 0.749 503 L CB -0.553 41.602 42.059 0.160 0.000 0.901 503 L HN 0.316 nan 8.230 nan 0.000 0.433 504 D N -0.839 119.646 120.400 0.142 0.000 2.117 504 D HA -0.201 4.439 4.640 0.000 0.000 0.197 504 D C 2.290 178.673 176.300 0.138 0.000 0.987 504 D CA 1.379 55.456 54.000 0.129 0.000 0.829 504 D CB -0.097 40.737 40.800 0.058 0.000 0.961 504 D HN 0.176 nan 8.370 nan 0.000 0.460 505 K N 0.627 121.082 120.400 0.092 0.000 2.057 505 K HA -0.044 4.276 4.320 0.000 0.000 0.207 505 K C 2.147 178.785 176.600 0.063 0.000 1.049 505 K CA 1.201 57.526 56.287 0.064 0.000 0.931 505 K CB -0.650 31.872 32.500 0.037 0.000 0.714 505 K HN 0.226 nan 8.250 nan 0.000 0.440 506 A N -0.436 122.421 122.820 0.063 0.000 1.877 506 A HA -0.006 4.315 4.320 0.000 0.000 0.216 506 A C 2.125 179.683 177.584 -0.043 0.000 1.186 506 A CA 1.872 53.903 52.037 -0.010 0.000 0.620 506 A CB -0.811 18.160 19.000 -0.049 0.000 0.822 506 A HN 0.547 nan 8.150 nan 0.000 0.443 507 F N 0.023 119.982 119.950 0.015 0.000 2.234 507 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 507 F C 2.604 178.410 175.800 0.010 0.000 1.087 507 F CA 1.058 59.066 58.000 0.014 0.000 1.340 507 F CB -0.111 38.895 39.000 0.011 0.000 1.031 507 F HN 0.254 nan 8.300 nan 0.000 0.500 508 A N -1.384 121.541 122.820 0.175 0.000 2.206 508 A HA 0.062 4.382 4.320 0.000 0.000 0.211 508 A C 0.773 178.390 177.584 0.055 0.000 1.158 508 A CA 0.843 52.942 52.037 0.102 0.000 0.761 508 A CB -0.663 18.383 19.000 0.077 0.000 0.801 508 A HN 0.137 nan 8.150 nan 0.000 0.473 509 T N 1.372 115.945 114.554 0.032 0.000 2.963 509 T HA 0.423 4.774 4.350 0.000 0.000 0.343 509 T C -0.026 174.665 174.700 -0.014 0.000 1.146 509 T CA -0.489 61.613 62.100 0.003 0.000 1.016 509 T CB 0.758 69.620 68.868 -0.011 0.000 1.046 509 T HN 0.338 nan 8.240 nan 0.000 0.496 510 R N 0.765 121.262 120.500 -0.005 0.000 2.700 510 R HA 0.710 5.050 4.340 0.000 0.000 0.253 510 R C 1.255 177.549 176.300 -0.010 0.000 1.091 510 R CA -0.179 55.915 56.100 -0.009 0.000 1.104 510 R CB 1.034 31.336 30.300 0.004 0.000 1.202 510 R HN 0.789 nan 8.270 nan 0.000 0.532 511 G N 0.429 109.225 108.800 -0.006 0.000 2.254 511 G HA2 -0.247 3.713 3.960 0.000 0.000 0.225 511 G HA3 -0.247 3.713 3.960 0.000 0.000 0.225 511 G C 0.056 174.950 174.900 -0.011 0.000 1.003 511 G CA -0.183 44.914 45.100 -0.005 0.000 0.622 511 G HN 0.480 nan 8.290 nan 0.000 0.507 512 R N -0.347 120.136 120.500 -0.028 0.000 2.651 512 R HA 0.552 4.892 4.340 0.000 0.000 0.278 512 R C 0.086 176.357 176.300 -0.047 0.000 1.010 512 R CA -0.747 55.311 56.100 -0.070 0.000 0.896 512 R CB 1.254 31.461 30.300 -0.155 0.000 1.211 512 R HN 0.431 nan 8.270 nan 0.000 0.456 513 F N 0.587 120.533 119.950 -0.007 0.000 2.545 513 F HA 0.216 4.743 4.527 -0.000 0.000 0.348 513 F C -0.342 175.449 175.800 -0.015 0.000 1.163 513 F CA -0.301 57.689 58.000 -0.017 0.000 1.331 513 F CB 0.583 39.582 39.000 -0.002 0.000 1.138 513 F HN 0.115 nan 8.300 nan 0.000 0.602 514 Q N 4.261 124.192 119.800 0.218 0.000 2.341 514 Q HA 0.418 4.759 4.340 0.000 0.000 0.268 514 Q C -1.483 174.634 176.000 0.196 0.000 1.013 514 Q CA -0.806 55.053 55.803 0.095 0.000 0.798 514 Q CB 2.197 30.929 28.738 -0.010 0.000 1.253 514 Q HN 0.850 nan 8.270 nan 0.000 0.457 515 L N 4.261 125.612 121.223 0.213 0.000 2.280 515 L HA 0.508 4.848 4.340 0.000 0.000 0.287 515 L C -1.049 175.860 176.870 0.066 0.000 1.023 515 L CA -0.190 54.754 54.840 0.173 0.000 0.819 515 L CB 0.790 43.011 42.059 0.271 0.000 1.212 515 L HN 0.544 nan 8.230 nan 0.000 0.420 516 I N 4.868 125.456 120.570 0.029 0.000 2.328 516 I HA 0.290 4.460 4.170 0.000 0.000 0.287 516 I C 0.057 176.163 176.117 -0.019 0.000 1.012 516 I CA -0.323 60.982 61.300 0.008 0.000 1.195 516 I CB 1.257 39.263 38.000 0.009 0.000 1.350 516 I HN 0.620 nan 8.210 nan 0.000 0.464 517 E N 6.608 126.799 120.200 -0.015 0.000 2.001 517 E HA 0.465 4.815 4.350 0.000 0.000 0.279 517 E C -0.603 175.987 176.600 -0.017 0.000 1.045 517 E CA -0.616 55.773 56.400 -0.019 0.000 0.833 517 E CB 0.931 30.652 29.700 0.036 0.000 1.077 517 E HN 0.713 nan 8.360 nan 0.000 0.397 518 A N 6.565 129.352 122.820 -0.054 0.000 2.279 518 A HA 0.337 4.657 4.320 0.000 0.000 0.306 518 A C -0.036 177.512 177.584 -0.061 0.000 1.300 518 A CA -0.681 51.301 52.037 -0.091 0.000 0.925 518 A CB 0.270 19.143 19.000 -0.212 0.000 1.152 518 A HN 0.625 nan 8.150 nan 0.000 0.544 519 M N 3.089 122.671 119.600 -0.029 0.000 2.188 519 M HA 0.365 4.845 4.480 0.000 0.000 0.354 519 M C -0.395 175.891 176.300 -0.024 0.000 1.342 519 M CA 0.306 55.604 55.300 -0.004 0.000 1.117 519 M CB -0.371 32.233 32.600 0.008 0.000 1.670 519 M HN 0.478 nan 8.290 nan 0.000 0.466 520 I N 4.862 125.427 120.570 -0.007 0.000 2.582 520 I HA 0.402 4.572 4.170 0.000 0.000 0.292 520 I C -2.254 173.869 176.117 0.009 0.000 1.066 520 I CA -1.993 59.300 61.300 -0.011 0.000 1.053 520 I CB 2.632 40.628 38.000 -0.008 0.000 1.241 520 I HN 0.389 nan 8.210 nan 0.000 0.421 521 P HA 0.255 nan 4.420 nan 0.000 0.274 521 P C -0.781 176.525 177.300 0.010 0.000 1.231 521 P CA -0.488 62.617 63.100 0.007 0.000 0.790 521 P CB 0.508 32.210 31.700 0.002 0.000 0.951 522 R N 0.907 121.411 120.500 0.007 0.000 2.694 522 R HA 0.367 4.707 4.340 0.000 0.000 0.268 522 R C 1.332 177.631 176.300 -0.002 0.000 1.061 522 R CA 0.903 57.004 56.100 0.003 0.000 1.133 522 R CB -0.426 29.872 30.300 -0.003 0.000 1.020 522 R HN 0.863 nan 8.270 nan 0.000 0.475 523 G N 0.512 109.308 108.800 -0.007 0.000 2.176 523 G HA2 -0.256 3.704 3.960 0.000 0.000 0.253 523 G HA3 -0.256 3.704 3.960 0.000 0.000 0.253 523 G C -0.093 174.805 174.900 -0.003 0.000 0.979 523 G CA 0.015 45.109 45.100 -0.009 0.000 0.641 523 G HN 0.419 nan 8.290 nan 0.000 0.530 524 V N 2.256 122.173 119.914 0.005 0.000 2.347 524 V HA 0.698 4.818 4.120 0.000 0.000 0.280 524 V C 0.541 176.649 176.094 0.023 0.000 1.021 524 V CA -0.499 61.809 62.300 0.013 0.000 0.847 524 V CB 1.297 33.128 31.823 0.013 0.000 0.990 524 V HN 0.353 nan 8.190 nan 0.000 0.444 525 L N 3.471 124.707 121.223 0.022 0.000 2.319 525 L HA 0.669 5.009 4.340 0.000 0.000 0.267 525 L C 0.658 177.563 176.870 0.059 0.000 1.011 525 L CA -0.688 54.168 54.840 0.026 0.000 0.818 525 L CB 2.252 44.304 42.059 -0.012 0.000 1.316 525 L HN 0.684 nan 8.230 nan 0.000 0.432 526 S N -1.354 114.400 115.700 0.089 0.000 2.589 526 S HA 0.054 4.525 4.470 0.000 0.000 0.265 526 S C 0.381 175.048 174.600 0.110 0.000 1.342 526 S CA -0.509 57.769 58.200 0.130 0.000 1.005 526 S CB 0.916 64.234 63.200 0.197 0.000 0.909 526 S HN 0.612 nan 8.310 nan 0.000 0.555 527 D N 1.447 121.916 120.400 0.116 0.000 2.144 527 D HA -0.043 4.597 4.640 0.000 0.000 0.199 527 D C 1.939 178.320 176.300 0.134 0.000 0.984 527 D CA 1.665 55.726 54.000 0.101 0.000 0.834 527 D CB -0.864 39.987 40.800 0.084 0.000 0.955 527 D HN 0.719 nan 8.370 nan 0.000 0.465 528 T N 1.023 115.689 114.554 0.187 0.000 2.821 528 T HA -0.108 4.243 4.350 0.000 0.000 0.267 528 T C 1.861 176.773 174.700 0.353 0.000 1.046 528 T CA 0.411 62.669 62.100 0.264 0.000 1.139 528 T CB -0.211 68.825 68.868 0.280 0.000 0.871 528 T HN 0.039 nan 8.240 nan 0.000 0.454 529 L N 1.485 122.840 121.223 0.219 0.000 2.093 529 L HA 0.215 4.556 4.340 0.000 0.000 0.208 529 L C 2.554 179.449 176.870 0.041 0.000 1.085 529 L CA 1.538 56.296 54.840 -0.136 0.000 0.755 529 L CB -1.040 40.755 42.059 -0.441 0.000 0.904 529 L HN 0.204 nan 8.230 nan 0.000 0.435 530 A N -0.354 122.507 122.820 0.068 0.000 1.902 530 A HA -0.201 4.119 4.320 0.000 0.000 0.217 530 A C 2.422 180.070 177.584 0.107 0.000 1.181 530 A CA 1.674 53.753 52.037 0.070 0.000 0.623 530 A CB -0.509 18.524 19.000 0.055 0.000 0.818 530 A HN 0.494 nan 8.150 nan 0.000 0.443 531 R N -2.150 118.436 120.500 0.142 0.000 2.092 531 R HA -0.073 4.268 4.340 0.000 0.000 0.231 531 R C 1.981 178.395 176.300 0.190 0.000 1.119 531 R CA 1.379 57.562 56.100 0.139 0.000 0.970 531 R CB -0.464 29.917 30.300 0.134 0.000 0.864 531 R HN 0.595 nan 8.270 nan 0.000 0.440 532 F N 1.294 121.310 119.950 0.109 0.000 2.075 532 F HA -0.223 4.305 4.527 0.001 0.000 0.297 532 F C 2.108 177.968 175.800 0.101 0.000 1.113 532 F CA 1.371 59.459 58.000 0.146 0.000 1.218 532 F CB -0.297 38.843 39.000 0.235 0.000 0.984 532 F HN -0.295 nan 8.300 nan 0.000 0.472 533 V N 0.222 120.259 119.914 0.205 0.000 2.343 533 V HA -0.320 3.801 4.120 0.000 0.000 0.247 533 V C 2.312 178.414 176.094 0.014 0.000 1.051 533 V CA 2.139 64.502 62.300 0.106 0.000 1.036 533 V CB -0.906 30.992 31.823 0.125 0.000 0.654 533 V HN 0.394 nan 8.190 nan 0.000 0.451 534 Q N 1.032 120.848 119.800 0.027 0.000 2.119 534 Q HA -0.073 4.267 4.340 0.000 0.000 0.201 534 Q C 2.145 178.129 176.000 -0.027 0.000 0.972 534 Q CA 2.091 57.897 55.803 0.005 0.000 0.847 534 Q CB -0.874 27.877 28.738 0.021 0.000 0.903 534 Q HN 0.544 nan 8.270 nan 0.000 0.433 535 G N -0.075 108.700 108.800 -0.041 0.000 2.432 535 G HA2 -0.246 3.715 3.960 0.000 0.000 0.219 535 G HA3 -0.246 3.715 3.960 0.000 0.000 0.219 535 G C 1.314 176.139 174.900 -0.126 0.000 1.135 535 G CA 0.632 45.690 45.100 -0.071 0.000 0.767 535 G HN 0.289 nan 8.290 nan 0.000 0.550 536 Q N 0.399 120.082 119.800 -0.194 0.000 2.046 536 Q HA -0.065 4.275 4.340 0.000 0.000 0.200 536 Q C 3.002 178.928 176.000 -0.125 0.000 0.975 536 Q CA 1.972 57.644 55.803 -0.218 0.000 0.836 536 Q CB -0.721 27.841 28.738 -0.292 0.000 0.896 536 Q HN 0.579 nan 8.270 nan 0.000 0.428 537 K N 1.280 121.631 120.400 -0.082 0.000 2.032 537 K HA -0.177 4.144 4.320 0.000 0.000 0.209 537 K C 2.339 178.913 176.600 -0.045 0.000 1.048 537 K CA 2.271 58.529 56.287 -0.049 0.000 0.927 537 K CB -1.606 30.879 32.500 -0.025 0.000 0.712 537 K HN 0.396 nan 8.250 nan 0.000 0.441 538 R N 0.548 121.023 120.500 -0.042 0.000 2.133 538 R HA 0.110 4.451 4.340 0.000 0.000 0.247 538 R C 1.807 178.085 176.300 -0.037 0.000 1.151 538 R CA 1.718 57.799 56.100 -0.033 0.000 0.971 538 R CB -1.183 29.100 30.300 -0.028 0.000 0.866 538 R HN 0.595 nan 8.270 nan 0.000 0.447 539 L N 0.000 121.191 121.223 -0.053 0.000 2.949 539 L HA 0.000 4.340 4.340 0.000 0.000 0.249 539 L CA 0.000 54.809 54.840 -0.052 0.000 0.813 539 L CB 0.000 42.020 42.059 -0.065 0.000 0.961 539 L HN 0.000 nan 8.230 nan 0.000 0.502