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 3n8f_1_B DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVTcDEQSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcVQGDEcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NVKPSPcEFI NTTAHVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE MLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKNSKLMNQN KMVTSELRNK LFQPTHKVHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKVLAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW ASREN 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.646 174.600 0.076 0.000 1.055 1 S CA 0.000 58.126 58.200 -0.123 0.000 1.107 1 S CB 0.000 62.930 63.200 -0.450 0.000 0.593 2 W N 0.650 121.973 121.300 0.038 0.000 3.834 2 W HA -0.107 4.552 4.660 -0.002 0.000 0.320 2 W C -0.051 176.489 176.519 0.035 0.000 1.201 2 W CA 0.962 58.327 57.345 0.033 0.000 0.701 2 W CB -1.611 27.865 29.460 0.027 0.000 2.264 2 W HN 0.715 nan 8.180 nan 0.000 1.413 3 E N 0.685 120.990 120.200 0.176 0.000 3.898 3 E HA 0.181 4.530 4.350 -0.002 0.000 0.219 3 E C 1.129 177.783 176.600 0.090 0.000 1.207 3 E CA 0.380 56.859 56.400 0.132 0.000 1.240 3 E CB 0.507 30.280 29.700 0.120 0.000 1.239 3 E HN 0.066 nan 8.360 nan 0.000 0.422 4 V N -0.141 119.822 119.914 0.081 0.000 2.307 4 V HA 0.031 4.150 4.120 -0.002 0.000 0.245 4 V C 1.350 177.475 176.094 0.052 0.000 1.045 4 V CA 2.294 64.623 62.300 0.048 0.000 1.024 4 V CB -0.035 31.816 31.823 0.046 0.000 0.651 4 V HN 0.373 nan 8.190 nan 0.000 0.449 5 G N -1.509 107.328 108.800 0.061 0.000 3.337 5 G HA2 0.067 4.026 3.960 -0.002 0.000 0.246 5 G HA3 0.067 4.026 3.960 -0.002 0.000 0.246 5 G C 0.512 175.442 174.900 0.050 0.000 1.131 5 G CA 0.441 45.573 45.100 0.053 0.000 0.773 5 G HN 0.522 nan 8.290 nan 0.000 0.544 6 c N 1.634 120.270 118.600 0.061 0.000 2.517 6 c HA 0.522 5.091 4.570 -0.002 0.000 0.403 6 c C 1.218 175.325 174.090 0.029 0.000 1.467 6 c CA 0.850 57.214 56.329 0.058 0.000 1.542 6 c CB -0.997 41.567 42.510 0.090 0.000 2.482 6 c HN 0.489 nan 8.230 nan 0.000 0.610 7 G N 2.676 111.480 108.800 0.006 0.000 2.698 7 G HA2 0.673 4.632 3.960 -0.002 0.000 0.293 7 G HA3 0.673 4.632 3.960 -0.002 0.000 0.293 7 G C -0.598 174.281 174.900 -0.034 0.000 1.437 7 G CA 0.270 45.364 45.100 -0.010 0.000 0.852 7 G HN 1.215 nan 8.290 nan 0.000 0.499 8 A N 0.611 123.404 122.820 -0.046 0.000 2.596 8 A HA 0.550 4.869 4.320 -0.002 0.000 0.276 8 A C -1.558 175.998 177.584 -0.046 0.000 0.962 8 A CA -0.194 51.807 52.037 -0.060 0.000 1.010 8 A CB 0.075 19.015 19.000 -0.101 0.000 1.220 8 A HN 0.607 nan 8.150 nan 0.000 0.549 9 P HA 0.328 nan 4.420 nan 0.000 0.274 9 P C 0.212 177.509 177.300 -0.005 0.000 1.231 9 P CA 0.104 63.196 63.100 -0.013 0.000 0.790 9 P CB 1.267 32.970 31.700 0.005 0.000 0.951 10 V N 0.617 120.531 119.914 -0.000 0.000 2.420 10 V HA 0.171 4.290 4.120 -0.002 0.000 0.274 10 V C -1.910 174.193 176.094 0.014 0.000 1.003 10 V CA -0.941 61.361 62.300 0.004 0.000 1.092 10 V CB -0.666 31.162 31.823 0.008 0.000 1.002 10 V HN 0.542 nan 8.190 nan 0.000 0.473 11 P HA 0.591 nan 4.420 nan 0.000 0.332 11 P C 0.061 177.371 177.300 0.016 0.000 1.298 11 P CA -0.920 62.189 63.100 0.015 0.000 0.755 11 P CB 0.743 32.449 31.700 0.010 0.000 1.465 12 L N -3.869 117.364 121.223 0.017 0.000 3.600 12 L HA -0.114 4.225 4.340 -0.002 0.000 0.424 12 L C -0.699 176.184 176.870 0.021 0.000 1.260 12 L CA -0.140 54.710 54.840 0.016 0.000 0.883 12 L CB -2.519 39.547 42.059 0.011 0.000 1.895 12 L HN 0.034 nan 8.230 nan 0.000 0.827 13 V N -1.282 118.648 119.914 0.027 0.000 2.444 13 V HA 0.820 4.938 4.120 -0.002 0.000 0.294 13 V C 0.524 176.640 176.094 0.036 0.000 1.022 13 V CA 0.145 62.465 62.300 0.033 0.000 0.850 13 V CB 1.709 33.557 31.823 0.041 0.000 0.992 13 V HN 0.319 nan 8.190 nan 0.000 0.426 14 T N 0.304 114.879 114.554 0.034 0.000 2.916 14 T HA 0.611 4.960 4.350 -0.002 0.000 0.292 14 T C -0.426 174.298 174.700 0.040 0.000 1.064 14 T CA -0.684 61.438 62.100 0.036 0.000 1.011 14 T CB 1.702 70.588 68.868 0.030 0.000 1.152 14 T HN 0.624 nan 8.240 nan 0.000 0.510 15 c N 1.854 120.480 118.600 0.042 0.000 2.319 15 c HA 0.633 5.201 4.570 -0.002 0.000 0.335 15 c C 0.308 174.421 174.090 0.040 0.000 1.274 15 c CA -0.453 55.904 56.329 0.047 0.000 1.806 15 c CB -0.047 42.496 42.510 0.055 0.000 2.329 15 c HN 1.000 nan 8.230 nan 0.000 0.524 16 D N 1.569 121.994 120.400 0.042 0.000 2.456 16 D HA 0.151 4.790 4.640 -0.002 0.000 0.219 16 D C 0.853 177.175 176.300 0.037 0.000 1.126 16 D CA -0.100 53.920 54.000 0.034 0.000 0.890 16 D CB 0.448 41.267 40.800 0.032 0.000 1.025 16 D HN 0.587 nan 8.370 nan 0.000 0.511 17 E N 1.470 121.687 120.200 0.029 0.000 2.510 17 E HA -0.098 4.251 4.350 -0.002 0.000 0.202 17 E C 0.638 177.244 176.600 0.010 0.000 1.072 17 E CA 0.691 57.105 56.400 0.023 0.000 0.883 17 E CB 0.298 30.008 29.700 0.016 0.000 0.818 17 E HN 0.457 nan 8.360 nan 0.000 0.548 18 Q N -0.508 119.296 119.800 0.008 0.000 2.112 18 Q HA 0.167 4.506 4.340 -0.002 0.000 0.222 18 Q C -0.254 175.733 176.000 -0.023 0.000 0.798 18 Q CA -0.013 55.784 55.803 -0.011 0.000 1.060 18 Q CB 1.322 30.052 28.738 -0.013 0.000 1.184 18 Q HN -0.022 nan 8.270 nan 0.000 0.475 19 S N 2.175 117.874 115.700 -0.002 0.000 2.565 19 S HA 0.310 4.778 4.470 -0.002 0.000 0.274 19 S C -1.668 172.875 174.600 -0.096 0.000 1.309 19 S CA -1.056 57.121 58.200 -0.039 0.000 1.043 19 S CB 0.835 64.044 63.200 0.016 0.000 0.939 19 S HN 0.003 nan 8.310 nan 0.000 0.504 20 P HA 0.205 nan 4.420 nan 0.000 0.249 20 P C -1.097 175.826 177.300 -0.627 0.000 1.229 20 P CA 0.347 63.146 63.100 -0.501 0.000 0.788 20 P CB -0.064 31.167 31.700 -0.781 0.000 1.072 21 Y N -0.419 119.790 120.300 -0.153 0.000 2.524 21 Y HA 0.464 5.013 4.550 -0.002 0.000 0.344 21 Y C 1.085 176.593 175.900 -0.654 0.000 1.012 21 Y CA -1.504 56.374 58.100 -0.370 0.000 1.068 21 Y CB 1.205 39.531 38.460 -0.223 0.000 1.249 21 Y HN -0.354 nan 8.280 nan 0.000 0.468 22 R N 0.471 120.561 120.500 -0.684 0.000 2.643 22 R HA 0.284 4.623 4.340 -0.002 0.000 0.270 22 R C 0.055 176.213 176.300 -0.238 0.000 1.061 22 R CA -0.227 55.471 56.100 -0.671 0.000 1.107 22 R CB 0.247 30.244 30.300 -0.505 0.000 0.999 22 R HN 0.779 nan 8.270 nan 0.000 0.460 23 T N -0.458 114.022 114.554 -0.124 0.000 2.913 23 T HA 0.130 4.479 4.350 -0.002 0.000 0.297 23 T C 1.652 176.358 174.700 0.010 0.000 1.029 23 T CA -0.866 61.222 62.100 -0.019 0.000 1.104 23 T CB 0.697 69.584 68.868 0.031 0.000 0.964 23 T HN 0.312 nan 8.240 nan 0.000 0.532 24 I N 2.359 122.950 120.570 0.035 0.000 2.179 24 I HA -0.163 4.006 4.170 -0.002 0.000 0.242 24 I C 2.992 179.164 176.117 0.091 0.000 1.088 24 I CA 2.219 63.559 61.300 0.067 0.000 1.357 24 I CB -1.650 36.394 38.000 0.074 0.000 1.051 24 I HN 1.001 nan 8.210 nan 0.000 0.409 25 T N -1.582 113.023 114.554 0.084 0.000 2.962 25 T HA 0.033 4.381 4.350 -0.002 0.000 0.270 25 T C 1.628 176.410 174.700 0.138 0.000 1.088 25 T CA 1.320 63.479 62.100 0.097 0.000 1.127 25 T CB -0.045 68.870 68.868 0.079 0.000 0.883 25 T HN 0.549 nan 8.240 nan 0.000 0.493 26 G N 0.745 109.638 108.800 0.155 0.000 2.195 26 G HA2 -0.179 3.779 3.960 -0.002 0.000 0.224 26 G HA3 -0.179 3.779 3.960 -0.002 0.000 0.224 26 G C -0.210 174.836 174.900 0.242 0.000 0.990 26 G CA 0.008 45.259 45.100 0.252 0.000 0.639 26 G HN 0.602 nan 8.290 nan 0.000 0.514 27 D N -0.582 119.916 120.400 0.162 0.000 2.362 27 D HA 0.375 5.014 4.640 -0.002 0.000 0.238 27 D C 1.562 177.943 176.300 0.135 0.000 1.212 27 D CA 0.988 55.075 54.000 0.145 0.000 0.902 27 D CB 0.830 41.693 40.800 0.104 0.000 1.180 27 D HN 0.785 nan 8.370 nan 0.000 0.445 28 c N 0.401 119.080 118.600 0.132 0.000 4.593 28 c HA -0.170 4.399 4.570 -0.002 0.000 0.263 28 c C 1.992 176.169 174.090 0.145 0.000 1.378 28 c CA 0.137 56.540 56.329 0.123 0.000 1.666 28 c CB -2.485 40.090 42.510 0.108 0.000 1.603 28 c HN 0.767 nan 8.230 nan 0.000 0.704 29 N N 1.850 120.642 118.700 0.153 0.000 2.051 29 N HA -0.098 4.641 4.740 -0.002 0.000 0.192 29 N C 0.499 176.052 175.510 0.073 0.000 1.049 29 N CA 1.386 54.493 53.050 0.094 0.000 0.845 29 N CB -0.193 38.258 38.487 -0.060 0.000 1.031 29 N HN 0.753 nan 8.380 nan 0.000 0.425 30 N N 1.242 120.043 118.700 0.168 0.000 2.401 30 N HA 0.043 4.782 4.740 -0.002 0.000 0.255 30 N C 0.747 176.336 175.510 0.132 0.000 1.110 30 N CA 0.066 53.229 53.050 0.188 0.000 0.949 30 N CB 0.664 39.281 38.487 0.217 0.000 1.110 30 N HN 0.185 nan 8.380 nan 0.000 0.490 31 R N 2.644 123.211 120.500 0.111 0.000 2.090 31 R HA 0.003 4.342 4.340 -0.002 0.000 0.228 31 R C 1.989 178.332 176.300 0.070 0.000 1.110 31 R CA 1.014 57.160 56.100 0.077 0.000 0.973 31 R CB 0.088 30.422 30.300 0.058 0.000 0.869 31 R HN 0.547 nan 8.270 nan 0.000 0.440 32 R N -0.250 120.294 120.500 0.073 0.000 2.073 32 R HA -0.021 4.318 4.340 -0.002 0.000 0.234 32 R C 0.193 176.529 176.300 0.060 0.000 1.134 32 R CA 1.342 57.476 56.100 0.057 0.000 0.952 32 R CB 0.052 30.380 30.300 0.047 0.000 0.850 32 R HN -0.030 nan 8.270 nan 0.000 0.433 33 S N -0.469 115.278 115.700 0.077 0.000 2.539 33 S HA 0.345 4.814 4.470 -0.002 0.000 0.235 33 S C -2.321 172.340 174.600 0.101 0.000 1.326 33 S CA -1.674 56.573 58.200 0.079 0.000 1.183 33 S CB 1.676 64.920 63.200 0.074 0.000 1.073 33 S HN 0.026 nan 8.310 nan 0.000 0.480 34 P HA 0.135 nan 4.420 nan 0.000 0.225 34 P C 1.048 178.422 177.300 0.123 0.000 1.156 34 P CA 0.477 63.641 63.100 0.107 0.000 0.787 34 P CB 0.177 31.928 31.700 0.085 0.000 0.802 35 A N -0.717 122.168 122.820 0.108 0.000 2.169 35 A HA 0.046 4.364 4.320 -0.002 0.000 0.212 35 A C 1.072 178.734 177.584 0.129 0.000 1.153 35 A CA 0.030 52.131 52.037 0.108 0.000 0.756 35 A CB -1.096 17.952 19.000 0.079 0.000 0.813 35 A HN 0.114 nan 8.150 nan 0.000 0.471 36 L N 0.603 121.913 121.223 0.146 0.000 2.654 36 L HA 0.235 4.573 4.340 -0.002 0.000 0.271 36 L C 1.394 178.392 176.870 0.213 0.000 1.169 36 L CA 0.987 55.920 54.840 0.154 0.000 0.947 36 L CB -0.079 42.080 42.059 0.165 0.000 1.232 36 L HN 0.575 nan 8.230 nan 0.000 0.486 37 G N 2.374 111.226 108.800 0.087 0.000 2.144 37 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.218 37 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.218 37 G C 0.260 175.208 174.900 0.080 0.000 0.988 37 G CA -0.120 44.935 45.100 -0.075 0.000 0.659 37 G HN 0.895 nan 8.290 nan 0.000 0.522 38 A N -0.129 122.771 122.820 0.133 0.000 2.271 38 A HA 0.947 5.266 4.320 -0.002 0.000 0.288 38 A C 0.909 178.543 177.584 0.084 0.000 1.094 38 A CA 0.759 52.880 52.037 0.140 0.000 0.828 38 A CB 0.716 19.792 19.000 0.127 0.000 1.091 38 A HN 2.045 nan 8.150 nan 0.000 0.493 39 A N 0.716 123.589 122.820 0.089 0.000 2.322 39 A HA 0.520 4.839 4.320 -0.002 0.000 0.269 39 A C 0.655 178.265 177.584 0.043 0.000 1.094 39 A CA -0.020 52.058 52.037 0.067 0.000 0.807 39 A CB -0.206 18.843 19.000 0.083 0.000 1.047 39 A HN 1.207 nan 8.150 nan 0.000 0.487 40 N N -0.503 118.211 118.700 0.024 0.000 2.818 40 N HA -0.130 4.608 4.740 -0.002 0.000 0.250 40 N C -0.270 175.235 175.510 -0.008 0.000 1.108 40 N CA 1.294 54.341 53.050 -0.005 0.000 0.745 40 N CB -0.852 37.630 38.487 -0.008 0.000 1.104 40 N HN 0.782 nan 8.380 nan 0.000 0.557 41 R N 0.008 120.511 120.500 0.005 0.000 2.919 41 R HA 0.743 5.082 4.340 -0.002 0.000 0.260 41 R C 0.049 176.358 176.300 0.015 0.000 1.067 41 R CA -0.255 55.851 56.100 0.010 0.000 1.003 41 R CB 0.945 31.260 30.300 0.024 0.000 1.192 41 R HN 0.162 nan 8.270 nan 0.000 0.488 42 A N 1.610 124.446 122.820 0.025 0.000 2.561 42 A HA 0.093 4.412 4.320 -0.002 0.000 0.234 42 A C -0.038 177.569 177.584 0.038 0.000 1.055 42 A CA 0.067 52.129 52.037 0.042 0.000 0.756 42 A CB -0.187 18.845 19.000 0.054 0.000 0.986 42 A HN 0.535 nan 8.150 nan 0.000 0.505 43 L N 1.840 123.093 121.223 0.049 0.000 2.453 43 L HA 0.318 4.657 4.340 -0.002 0.000 0.272 43 L C 1.185 178.068 176.870 0.022 0.000 1.182 43 L CA -0.090 54.768 54.840 0.030 0.000 0.858 43 L CB 0.424 42.515 42.059 0.053 0.000 1.120 43 L HN 0.859 nan 8.230 nan 0.000 0.474 44 A N 5.149 127.966 122.820 -0.005 0.000 2.507 44 A HA 0.257 4.576 4.320 -0.002 0.000 0.235 44 A C 0.175 177.747 177.584 -0.020 0.000 1.070 44 A CA 0.102 52.152 52.037 0.022 0.000 0.768 44 A CB 0.124 19.165 19.000 0.069 0.000 1.011 44 A HN 0.772 nan 8.150 nan 0.000 0.502 45 R N 1.273 121.813 120.500 0.067 0.000 2.388 45 R HA 0.180 4.519 4.340 -0.002 0.000 0.314 45 R C -0.436 176.007 176.300 0.238 0.000 0.959 45 R CA -0.573 55.573 56.100 0.077 0.000 0.851 45 R CB 0.915 31.265 30.300 0.083 0.000 1.168 45 R HN 0.931 nan 8.270 nan 0.000 0.472 46 W N 2.518 123.860 121.300 0.070 0.000 2.584 46 W HA 0.121 4.779 4.660 -0.002 0.000 0.264 46 W C 0.337 176.827 176.519 -0.048 0.000 1.264 46 W CA 0.242 57.606 57.345 0.033 0.000 1.306 46 W CB -0.110 29.302 29.460 -0.081 0.000 1.110 46 W HN 0.303 nan 8.180 nan 0.000 0.606 47 L N -0.259 121.031 121.223 0.113 0.000 2.424 47 L HA 0.366 4.705 4.340 -0.002 0.000 0.258 47 L C -2.237 174.617 176.870 -0.028 0.000 0.995 47 L CA -2.185 52.615 54.840 -0.066 0.000 0.821 47 L CB 1.881 43.683 42.059 -0.428 0.000 1.383 47 L HN -0.522 nan 8.230 nan 0.000 0.410 48 P HA 0.099 nan 4.420 nan 0.000 0.265 48 P C -0.462 176.816 177.300 -0.037 0.000 1.193 48 P CA -0.152 62.941 63.100 -0.012 0.000 0.765 48 P CB 0.595 32.289 31.700 -0.010 0.000 0.823 49 A N 3.071 125.877 122.820 -0.024 0.000 2.492 49 A HA 0.077 4.396 4.320 -0.002 0.000 0.236 49 A C 0.147 177.640 177.584 -0.152 0.000 1.078 49 A CA 0.261 52.231 52.037 -0.111 0.000 0.773 49 A CB -0.137 18.811 19.000 -0.087 0.000 1.023 49 A HN 0.594 nan 8.150 nan 0.000 0.504 50 E N -0.037 119.984 120.200 -0.299 0.000 2.220 50 E HA 0.520 4.869 4.350 -0.002 0.000 0.256 50 E C -1.806 174.635 176.600 -0.265 0.000 0.881 50 E CA -0.059 56.269 56.400 -0.120 0.000 0.766 50 E CB 1.379 31.120 29.700 0.069 0.000 1.187 50 E HN 0.611 nan 8.360 nan 0.000 0.419 51 Y N 0.117 120.381 120.300 -0.059 0.000 2.665 51 Y HA 0.147 4.696 4.550 -0.002 0.000 0.336 51 Y C 1.401 176.835 175.900 -0.776 0.000 1.085 51 Y CA -0.916 56.954 58.100 -0.384 0.000 1.096 51 Y CB 1.157 39.441 38.460 -0.293 0.000 1.301 51 Y HN 0.493 nan 8.280 nan 0.000 0.493 52 E N 0.518 120.237 120.200 -0.800 0.000 2.047 52 E HA -0.205 4.144 4.350 -0.002 0.000 0.191 52 E C 0.745 177.154 176.600 -0.318 0.000 0.987 52 E CA 1.974 57.910 56.400 -0.775 0.000 0.799 52 E CB 0.034 29.420 29.700 -0.523 0.000 0.752 52 E HN 0.814 nan 8.360 nan 0.000 0.449 53 D N -1.665 118.583 120.400 -0.253 0.000 2.349 53 D HA 0.076 4.715 4.640 -0.002 0.000 0.214 53 D C 1.228 177.462 176.300 -0.111 0.000 1.063 53 D CA 0.762 54.662 54.000 -0.167 0.000 0.847 53 D CB 0.539 41.217 40.800 -0.204 0.000 0.933 53 D HN 0.378 nan 8.370 nan 0.000 0.513 54 G N 0.088 108.846 108.800 -0.071 0.000 2.179 54 G HA2 -0.254 3.704 3.960 -0.002 0.000 0.260 54 G HA3 -0.254 3.704 3.960 -0.002 0.000 0.260 54 G C 0.464 175.379 174.900 0.026 0.000 0.977 54 G CA 0.599 45.707 45.100 0.013 0.000 0.641 54 G HN 0.370 nan 8.290 nan 0.000 0.533 55 L N -1.486 119.677 121.223 -0.099 0.000 3.635 55 L HA 0.676 5.015 4.340 -0.002 0.000 0.185 55 L C 2.306 178.836 176.870 -0.566 0.000 1.293 55 L CA 1.096 55.821 54.840 -0.192 0.000 1.200 55 L CB -0.620 41.315 42.059 -0.207 0.000 1.655 55 L HN 0.473 nan 8.230 nan 0.000 0.762 56 A N -0.495 121.897 122.820 -0.714 0.000 2.508 56 A HA 0.380 4.699 4.320 -0.002 0.000 0.257 56 A C -0.050 176.904 177.584 -1.050 0.000 1.226 56 A CA -0.045 51.366 52.037 -1.044 0.000 0.947 56 A CB 0.309 18.864 19.000 -0.740 0.000 1.079 56 A HN 0.113 nan 8.150 nan 0.000 0.531 57 V N 2.636 122.036 119.914 -0.856 0.000 2.370 57 V HA 0.297 4.416 4.120 -0.002 0.000 0.279 57 V C -2.444 173.328 176.094 -0.536 0.000 1.029 57 V CA -1.809 60.017 62.300 -0.791 0.000 0.870 57 V CB 1.487 32.903 31.823 -0.679 0.000 0.984 57 V HN 0.218 nan 8.190 nan 0.000 0.451 58 P HA 0.174 nan 4.420 nan 0.000 0.272 58 P C -0.539 176.708 177.300 -0.088 0.000 1.230 58 P CA -0.284 62.738 63.100 -0.129 0.000 0.788 58 P CB 0.427 31.962 31.700 -0.276 0.000 0.949 59 F N 0.703 120.742 119.950 0.148 0.000 2.495 59 F HA 0.358 4.884 4.527 -0.002 0.000 0.365 59 F C 1.841 177.782 175.800 0.236 0.000 1.090 59 F CA 1.756 59.855 58.000 0.164 0.000 1.235 59 F CB 0.089 39.178 39.000 0.148 0.000 1.119 59 F HN 0.637 nan 8.300 nan 0.000 0.562 60 G N 3.066 112.121 108.800 0.425 0.000 2.259 60 G HA2 -0.291 3.667 3.960 -0.002 0.000 0.217 60 G HA3 -0.291 3.667 3.960 -0.002 0.000 0.217 60 G C 1.145 176.266 174.900 0.368 0.000 1.001 60 G CA 0.135 45.457 45.100 0.370 0.000 0.627 60 G HN 0.751 nan 8.290 nan 0.000 0.501 61 W N 2.019 123.371 121.300 0.087 0.000 2.311 61 W HA -0.024 4.634 4.660 -0.003 0.000 0.326 61 W C 0.506 177.039 176.519 0.023 0.000 1.239 61 W CA 2.182 59.507 57.345 -0.034 0.000 1.258 61 W CB -0.605 28.677 29.460 -0.298 0.000 1.165 61 W HN 0.234 nan 8.180 nan 0.000 0.466 62 T N 2.168 116.864 114.554 0.237 0.000 2.882 62 T HA 0.073 4.421 4.350 -0.002 0.000 0.287 62 T C 1.064 175.819 174.700 0.092 0.000 0.992 62 T CA -0.519 61.651 62.100 0.118 0.000 1.076 62 T CB 1.856 70.824 68.868 0.167 0.000 0.961 62 T HN 0.013 nan 8.240 nan 0.000 0.490 63 Q N 1.921 121.748 119.800 0.044 0.000 2.137 63 Q HA -0.058 4.281 4.340 -0.002 0.000 0.198 63 Q C 2.436 178.470 176.000 0.056 0.000 0.960 63 Q CA 1.040 56.869 55.803 0.045 0.000 0.847 63 Q CB -0.180 28.566 28.738 0.014 0.000 0.915 63 Q HN 0.731 nan 8.270 nan 0.000 0.448 64 R N 0.430 120.961 120.500 0.051 0.000 2.148 64 R HA 0.014 4.353 4.340 -0.002 0.000 0.227 64 R C 0.471 176.809 176.300 0.064 0.000 1.103 64 R CA 0.586 56.715 56.100 0.048 0.000 0.983 64 R CB -0.056 30.266 30.300 0.036 0.000 0.874 64 R HN -0.150 nan 8.270 nan 0.000 0.451 65 K N 2.102 122.555 120.400 0.089 0.000 2.202 65 K HA 0.107 4.426 4.320 -0.002 0.000 0.264 65 K C -0.039 176.652 176.600 0.151 0.000 1.010 65 K CA 0.246 56.604 56.287 0.119 0.000 0.940 65 K CB 1.478 34.060 32.500 0.136 0.000 0.983 65 K HN 0.339 nan 8.250 nan 0.000 0.475 66 T N -1.419 113.230 114.554 0.159 0.000 2.893 66 T HA 0.381 4.730 4.350 -0.002 0.000 0.293 66 T C -0.296 174.507 174.700 0.170 0.000 1.027 66 T CA -1.039 61.145 62.100 0.142 0.000 0.988 66 T CB 2.016 70.906 68.868 0.037 0.000 1.043 66 T HN 0.479 nan 8.240 nan 0.000 0.461 67 R N 2.138 122.668 120.500 0.050 0.000 2.202 67 R HA 0.250 4.589 4.340 -0.002 0.000 0.334 67 R C -0.095 176.158 176.300 -0.079 0.000 1.036 67 R CA -0.175 55.785 56.100 -0.234 0.000 0.878 67 R CB -0.095 29.776 30.300 -0.716 0.000 1.067 67 R HN 0.814 nan 8.270 nan 0.000 0.457 68 N N 3.071 121.738 118.700 -0.055 0.000 2.714 68 N HA -0.211 4.528 4.740 -0.002 0.000 0.250 68 N C 0.533 175.967 175.510 -0.127 0.000 1.117 68 N CA 1.546 54.581 53.050 -0.025 0.000 0.719 68 N CB -1.055 37.453 38.487 0.035 0.000 1.081 68 N HN 1.051 nan 8.380 nan 0.000 0.557 69 G N -2.288 106.380 108.800 -0.220 0.000 2.175 69 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.244 69 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.244 69 G C -0.105 174.311 174.900 -0.807 0.000 0.982 69 G CA 0.348 45.133 45.100 -0.524 0.000 0.641 69 G HN 0.394 nan 8.290 nan 0.000 0.527 70 F N -0.012 119.952 119.950 0.023 0.000 2.599 70 F HA 0.723 5.249 4.527 -0.002 0.000 0.311 70 F C 0.698 176.514 175.800 0.027 0.000 1.076 70 F CA -1.361 56.654 58.000 0.025 0.000 0.937 70 F CB 1.195 40.210 39.000 0.025 0.000 1.282 70 F HN -0.039 nan 8.300 nan 0.000 0.460 71 R N 0.855 121.486 120.500 0.219 0.000 2.643 71 R HA 0.431 4.770 4.340 -0.002 0.000 0.270 71 R C -0.590 175.776 176.300 0.110 0.000 1.061 71 R CA -0.687 55.497 56.100 0.140 0.000 1.107 71 R CB 0.363 30.723 30.300 0.100 0.000 0.999 71 R HN 0.534 nan 8.270 nan 0.000 0.460 72 V N 0.489 120.462 119.914 0.100 0.000 2.740 72 V HA 0.249 4.367 4.120 -0.002 0.000 0.303 72 V C -1.714 174.357 176.094 -0.039 0.000 1.054 72 V CA -1.608 60.722 62.300 0.051 0.000 1.106 72 V CB 0.107 32.008 31.823 0.130 0.000 0.957 72 V HN 0.700 nan 8.190 nan 0.000 0.486 73 P HA 0.365 nan 4.420 nan 0.000 0.276 73 P C -0.107 177.118 177.300 -0.126 0.000 1.244 73 P CA -0.693 62.282 63.100 -0.208 0.000 0.801 73 P CB 0.836 32.285 31.700 -0.418 0.000 1.006 74 L N 0.870 122.038 121.223 -0.092 0.000 2.499 74 L HA -0.015 4.324 4.340 -0.002 0.000 0.281 74 L C 2.062 178.884 176.870 -0.080 0.000 1.234 74 L CA -0.053 54.739 54.840 -0.079 0.000 0.839 74 L CB -0.071 41.947 42.059 -0.067 0.000 1.104 74 L HN 0.486 nan 8.230 nan 0.000 0.500 75 A N 2.866 125.622 122.820 -0.108 0.000 1.877 75 A HA -0.182 4.137 4.320 -0.002 0.000 0.216 75 A C 2.151 179.714 177.584 -0.034 0.000 1.186 75 A CA 1.688 53.670 52.037 -0.091 0.000 0.620 75 A CB -0.407 18.473 19.000 -0.200 0.000 0.822 75 A HN 0.854 nan 8.150 nan 0.000 0.443 76 R N -0.390 120.085 120.500 -0.040 0.000 2.335 76 R HA 0.121 4.459 4.340 -0.002 0.000 0.223 76 R C 1.418 177.744 176.300 0.044 0.000 0.940 76 R CA 0.680 56.797 56.100 0.028 0.000 1.086 76 R CB -0.101 30.241 30.300 0.070 0.000 1.073 76 R HN 0.680 nan 8.270 nan 0.000 0.504 77 E N -0.870 119.338 120.200 0.013 0.000 2.389 77 E HA -0.014 4.335 4.350 -0.002 0.000 0.199 77 E C 1.116 177.727 176.600 0.019 0.000 0.978 77 E CA 0.200 56.606 56.400 0.011 0.000 0.912 77 E CB 0.561 30.250 29.700 -0.019 0.000 0.907 77 E HN 0.196 nan 8.360 nan 0.000 0.494 78 V N 0.850 120.782 119.914 0.030 0.000 2.407 78 V HA -0.193 3.925 4.120 -0.002 0.000 0.245 78 V C 2.494 178.664 176.094 0.127 0.000 1.041 78 V CA 1.775 64.126 62.300 0.085 0.000 1.040 78 V CB -0.267 31.641 31.823 0.142 0.000 0.671 78 V HN 0.313 nan 8.190 nan 0.000 0.455 79 S N 0.935 116.712 115.700 0.128 0.000 2.382 79 S HA -0.252 4.217 4.470 -0.002 0.000 0.228 79 S C 1.874 176.544 174.600 0.116 0.000 1.027 79 S CA 2.057 60.346 58.200 0.148 0.000 0.991 79 S CB -0.505 62.771 63.200 0.127 0.000 0.823 79 S HN 0.582 nan 8.310 nan 0.000 0.469 80 N N 1.509 120.260 118.700 0.085 0.000 2.135 80 N HA 0.064 4.803 4.740 -0.002 0.000 0.186 80 N C 1.807 177.357 175.510 0.065 0.000 1.027 80 N CA 1.397 54.487 53.050 0.067 0.000 0.849 80 N CB -0.275 38.241 38.487 0.049 0.000 1.002 80 N HN 0.595 nan 8.380 nan 0.000 0.425 81 K N 0.221 120.658 120.400 0.061 0.000 2.031 81 K HA 0.079 4.398 4.320 -0.002 0.000 0.205 81 K C 1.715 178.359 176.600 0.073 0.000 1.049 81 K CA 0.869 57.190 56.287 0.057 0.000 0.939 81 K CB 0.200 32.725 32.500 0.042 0.000 0.717 81 K HN 0.195 nan 8.250 nan 0.000 0.438 82 I N -0.008 120.617 120.570 0.091 0.000 2.810 82 I HA -0.060 4.109 4.170 -0.002 0.000 0.262 82 I C 2.183 178.369 176.117 0.115 0.000 1.131 82 I CA 0.660 62.016 61.300 0.094 0.000 1.453 82 I CB -0.527 37.531 38.000 0.096 0.000 1.161 82 I HN -0.153 nan 8.210 nan 0.000 0.444 83 V N 1.491 121.497 119.914 0.152 0.000 2.725 83 V HA 0.160 4.279 4.120 -0.002 0.000 0.247 83 V C 1.528 177.768 176.094 0.243 0.000 1.058 83 V CA 0.895 63.312 62.300 0.195 0.000 1.080 83 V CB -0.613 31.372 31.823 0.270 0.000 0.713 83 V HN 0.413 nan 8.190 nan 0.000 0.465 84 G N -0.276 108.644 108.800 0.200 0.000 2.537 84 G HA2 0.462 4.421 3.960 -0.002 0.000 0.273 84 G HA3 0.462 4.421 3.960 -0.002 0.000 0.273 84 G C -1.032 174.032 174.900 0.273 0.000 1.189 84 G CA -0.062 45.144 45.100 0.178 0.000 0.881 84 G HN 0.496 nan 8.290 nan 0.000 0.535 85 Y N -0.648 119.692 120.300 0.067 0.000 2.480 85 Y HA 0.499 5.048 4.550 -0.002 0.000 0.329 85 Y C -0.050 175.882 175.900 0.053 0.000 1.127 85 Y CA -1.282 56.851 58.100 0.055 0.000 1.037 85 Y CB 0.957 39.451 38.460 0.056 0.000 1.320 85 Y HN 0.435 nan 8.280 nan 0.000 0.446 86 L N 1.489 122.768 121.223 0.094 0.000 2.049 86 L HA 0.097 4.435 4.340 -0.002 0.000 0.203 86 L C 0.803 177.710 176.870 0.062 0.000 1.074 86 L CA 1.588 56.443 54.840 0.024 0.000 0.749 86 L CB -0.363 41.722 42.059 0.044 0.000 0.907 86 L HN 0.906 nan 8.230 nan 0.000 0.439 87 D N -0.206 120.300 120.400 0.176 0.000 2.361 87 D HA -0.040 4.599 4.640 -0.002 0.000 0.239 87 D C 0.702 177.181 176.300 0.299 0.000 1.200 87 D CA 0.485 54.598 54.000 0.189 0.000 0.915 87 D CB 0.882 41.778 40.800 0.160 0.000 1.170 87 D HN 0.494 nan 8.370 nan 0.000 0.444 88 E N 0.932 121.262 120.200 0.217 0.000 2.743 88 E HA -0.002 4.347 4.350 -0.002 0.000 0.222 88 E C -0.588 176.110 176.600 0.163 0.000 0.959 88 E CA -0.404 56.145 56.400 0.248 0.000 1.198 88 E CB 0.376 30.174 29.700 0.164 0.000 1.100 88 E HN 0.144 nan 8.360 nan 0.000 0.518 89 E N 0.237 120.511 120.200 0.123 0.000 2.259 89 E HA 0.412 4.761 4.350 -0.002 0.000 0.281 89 E C 0.612 177.250 176.600 0.063 0.000 1.027 89 E CA 1.124 57.574 56.400 0.082 0.000 0.838 89 E CB 1.044 30.783 29.700 0.066 0.000 1.066 89 E HN 0.332 nan 8.360 nan 0.000 0.401 90 G N 2.923 111.756 108.800 0.055 0.000 2.160 90 G HA2 -0.282 3.676 3.960 -0.002 0.000 0.251 90 G HA3 -0.282 3.676 3.960 -0.002 0.000 0.251 90 G C 0.785 175.701 174.900 0.028 0.000 1.008 90 G CA 0.638 45.761 45.100 0.038 0.000 0.724 90 G HN 0.916 nan 8.290 nan 0.000 0.514 91 V N -2.211 117.726 119.914 0.039 0.000 3.235 91 V HA 0.450 4.569 4.120 -0.002 0.000 0.259 91 V C 1.679 177.800 176.094 0.045 0.000 1.133 91 V CA 0.570 62.880 62.300 0.017 0.000 1.128 91 V CB -0.239 31.597 31.823 0.022 0.000 0.757 91 V HN 0.401 nan 8.190 nan 0.000 0.469 92 L N 1.991 123.253 121.223 0.064 0.000 2.514 92 L HA 0.139 4.478 4.340 -0.002 0.000 0.280 92 L C 0.688 177.599 176.870 0.069 0.000 1.223 92 L CA 0.376 55.262 54.840 0.077 0.000 0.864 92 L CB -0.038 42.067 42.059 0.076 0.000 1.118 92 L HN 0.302 nan 8.230 nan 0.000 0.494 93 D N 1.589 122.041 120.400 0.086 0.000 2.382 93 D HA -0.020 4.618 4.640 -0.002 0.000 0.240 93 D C 0.428 176.761 176.300 0.055 0.000 1.146 93 D CA -0.074 53.972 54.000 0.076 0.000 0.897 93 D CB 1.317 42.183 40.800 0.110 0.000 1.197 93 D HN 0.484 nan 8.370 nan 0.000 0.432 94 Q N 1.441 121.260 119.800 0.032 0.000 2.392 94 Q HA -0.002 4.337 4.340 -0.002 0.000 0.219 94 Q C 0.515 176.522 176.000 0.012 0.000 0.895 94 Q CA 0.426 56.245 55.803 0.025 0.000 0.929 94 Q CB 0.243 28.991 28.738 0.017 0.000 1.077 94 Q HN 0.352 nan 8.270 nan 0.000 0.532 95 N N 0.774 119.467 118.700 -0.011 0.000 2.433 95 N HA 0.069 4.808 4.740 -0.002 0.000 0.270 95 N C -1.138 174.326 175.510 -0.075 0.000 1.354 95 N CA 0.001 53.028 53.050 -0.038 0.000 0.889 95 N CB 0.487 38.939 38.487 -0.060 0.000 1.285 95 N HN -0.157 nan 8.380 nan 0.000 0.503 96 R N 0.349 120.829 120.500 -0.033 0.000 2.533 96 R HA 0.313 4.652 4.340 -0.002 0.000 0.288 96 R C -0.436 175.920 176.300 0.095 0.000 1.039 96 R CA -0.505 55.575 56.100 -0.032 0.000 0.909 96 R CB 1.224 31.472 30.300 -0.087 0.000 1.195 96 R HN 0.284 nan 8.270 nan 0.000 0.438 97 S N 1.360 117.124 115.700 0.107 0.000 2.603 97 S HA 0.099 4.567 4.470 -0.002 0.000 0.268 97 S C 1.324 176.017 174.600 0.155 0.000 1.317 97 S CA -0.701 57.561 58.200 0.103 0.000 1.012 97 S CB 0.983 64.199 63.200 0.027 0.000 0.926 97 S HN 0.592 nan 8.310 nan 0.000 0.539 98 L N 1.033 122.322 121.223 0.109 0.000 2.187 98 L HA 0.012 4.351 4.340 -0.002 0.000 0.213 98 L C 1.961 178.868 176.870 0.061 0.000 1.100 98 L CA 1.354 56.254 54.840 0.100 0.000 0.765 98 L CB -0.773 41.330 42.059 0.073 0.000 0.904 98 L HN 0.827 nan 8.230 nan 0.000 0.437 99 L N -1.690 119.522 121.223 -0.019 0.000 2.551 99 L HA -0.116 4.223 4.340 -0.002 0.000 0.228 99 L C 1.941 178.775 176.870 -0.060 0.000 1.153 99 L CA 1.189 55.925 54.840 -0.173 0.000 0.851 99 L CB -0.719 41.072 42.059 -0.447 0.000 0.959 99 L HN 0.341 nan 8.230 nan 0.000 0.451 100 F N -0.713 119.255 119.950 0.031 0.000 2.206 100 F HA -0.135 4.390 4.527 -0.002 0.000 0.298 100 F C 2.218 178.230 175.800 0.353 0.000 1.090 100 F CA 1.552 59.757 58.000 0.342 0.000 1.323 100 F CB -0.192 39.003 39.000 0.324 0.000 1.028 100 F HN 0.166 nan 8.300 nan 0.000 0.492 101 M N -0.114 119.523 119.600 0.060 0.000 2.123 101 M HA -0.165 4.314 4.480 -0.002 0.000 0.263 101 M C 2.003 178.245 176.300 -0.097 0.000 1.069 101 M CA 1.558 56.815 55.300 -0.071 0.000 1.133 101 M CB -0.551 32.059 32.600 0.017 0.000 1.356 101 M HN 0.146 nan 8.290 nan 0.000 0.415 102 Q N -0.665 119.108 119.800 -0.045 0.000 2.124 102 Q HA -0.212 4.127 4.340 -0.002 0.000 0.202 102 Q C 1.781 177.730 176.000 -0.085 0.000 0.977 102 Q CA 1.458 57.216 55.803 -0.074 0.000 0.850 102 Q CB -0.624 28.087 28.738 -0.044 0.000 0.901 102 Q HN 0.708 nan 8.270 nan 0.000 0.429 103 W N 0.444 121.604 121.300 -0.234 0.000 2.518 103 W HA -0.038 4.621 4.660 -0.002 0.000 0.273 103 W C 1.663 177.910 176.519 -0.453 0.000 1.247 103 W CA 1.142 58.331 57.345 -0.260 0.000 1.288 103 W CB -0.009 29.407 29.460 -0.072 0.000 1.107 103 W HN 0.181 nan 8.180 nan 0.000 0.586 104 G N 0.135 108.682 108.800 -0.422 0.000 2.448 104 G HA2 -0.310 3.648 3.960 -0.002 0.000 0.219 104 G HA3 -0.310 3.648 3.960 -0.002 0.000 0.219 104 G C 1.381 175.912 174.900 -0.614 0.000 1.127 104 G CA 0.788 45.617 45.100 -0.450 0.000 0.766 104 G HN 0.362 nan 8.290 nan 0.000 0.552 105 Q N -0.726 118.744 119.800 -0.551 0.000 2.339 105 Q HA 0.135 4.473 4.340 -0.002 0.000 0.205 105 Q C 2.372 177.956 176.000 -0.694 0.000 0.925 105 Q CA -0.116 55.308 55.803 -0.633 0.000 0.898 105 Q CB 0.055 28.472 28.738 -0.535 0.000 1.013 105 Q HN 0.335 nan 8.270 nan 0.000 0.504 106 I N 0.296 120.493 120.570 -0.622 0.000 2.163 106 I HA -0.211 3.958 4.170 -0.002 0.000 0.240 106 I C 2.292 178.075 176.117 -0.557 0.000 1.081 106 I CA 0.922 61.842 61.300 -0.634 0.000 1.353 106 I CB -0.899 36.609 38.000 -0.819 0.000 1.054 106 I HN 0.085 nan 8.210 nan 0.000 0.407 107 V N 1.398 120.917 119.914 -0.659 0.000 2.332 107 V HA -0.316 3.803 4.120 -0.002 0.000 0.248 107 V C 2.480 178.570 176.094 -0.007 0.000 1.055 107 V CA 2.243 64.385 62.300 -0.262 0.000 1.038 107 V CB -0.705 31.070 31.823 -0.079 0.000 0.651 107 V HN 0.499 nan 8.190 nan 0.000 0.450 108 D N -0.554 119.715 120.400 -0.219 0.000 2.092 108 D HA -0.263 4.376 4.640 -0.002 0.000 0.193 108 D C 1.936 178.245 176.300 0.014 0.000 0.994 108 D CA 1.986 55.833 54.000 -0.257 0.000 0.828 108 D CB -0.267 40.090 40.800 -0.738 0.000 0.963 108 D HN 0.677 nan 8.370 nan 0.000 0.450 109 H N -0.523 118.421 119.070 -0.210 0.000 2.491 109 H HA -0.093 4.462 4.556 -0.002 0.000 0.290 109 H C 1.670 176.955 175.328 -0.072 0.000 1.050 109 H CA 0.762 56.719 56.048 -0.151 0.000 1.309 109 H CB 0.281 29.943 29.762 -0.165 0.000 1.392 109 H HN 0.230 nan 8.280 nan 0.000 0.554 110 D N 0.744 121.186 120.400 0.071 0.000 2.178 110 D HA -0.086 4.552 4.640 -0.002 0.000 0.202 110 D C 1.977 178.352 176.300 0.126 0.000 0.974 110 D CA 0.667 54.719 54.000 0.087 0.000 0.841 110 D CB 0.282 41.133 40.800 0.085 0.000 0.953 110 D HN 0.374 nan 8.370 nan 0.000 0.478 111 L N -0.145 121.166 121.223 0.147 0.000 2.316 111 L HA 0.134 4.472 4.340 -0.002 0.000 0.207 111 L C 0.003 176.944 176.870 0.118 0.000 1.070 111 L CA 0.226 55.154 54.840 0.145 0.000 0.820 111 L CB 0.119 42.305 42.059 0.213 0.000 0.992 111 L HN -0.081 nan 8.230 nan 0.000 0.466 112 D N -0.941 119.536 120.400 0.128 0.000 2.819 112 D HA 0.454 5.093 4.640 -0.002 0.000 0.232 112 D C -1.259 175.125 176.300 0.141 0.000 1.160 112 D CA -0.366 53.701 54.000 0.113 0.000 0.858 112 D CB 2.805 43.674 40.800 0.114 0.000 1.610 112 D HN -0.205 nan 8.370 nan 0.000 0.481 113 F N 0.985 120.897 119.950 -0.063 0.000 3.152 113 F HA 0.526 5.052 4.527 -0.002 0.000 0.367 113 F C -1.602 174.169 175.800 -0.048 0.000 1.272 113 F CA -1.255 56.690 58.000 -0.091 0.000 1.172 113 F CB 1.331 40.273 39.000 -0.098 0.000 1.552 113 F HN 0.588 nan 8.300 nan 0.000 0.616 114 A N 7.859 130.610 122.820 -0.115 0.000 2.391 114 A HA 0.691 5.009 4.320 -0.002 0.000 0.316 114 A C -2.576 174.734 177.584 -0.456 0.000 1.381 114 A CA -1.302 50.621 52.037 -0.188 0.000 0.998 114 A CB -0.448 18.605 19.000 0.087 0.000 1.147 114 A HN 0.368 nan 8.150 nan 0.000 0.545 115 P HA 0.223 nan 4.420 nan 0.000 0.278 115 P C -0.095 176.990 177.300 -0.358 0.000 1.238 115 P CA -0.273 62.326 63.100 -0.835 0.000 0.794 115 P CB 0.922 32.158 31.700 -0.774 0.000 0.955 116 E N 0.151 120.199 120.200 -0.252 0.000 2.391 116 E HA 0.113 4.462 4.350 -0.002 0.000 0.255 116 E C 0.228 176.741 176.600 -0.146 0.000 1.187 116 E CA -0.231 56.078 56.400 -0.151 0.000 0.941 116 E CB 0.464 30.087 29.700 -0.128 0.000 1.010 116 E HN 0.350 nan 8.360 nan 0.000 0.458 117 T N 0.775 115.275 114.554 -0.091 0.000 2.802 117 T HA -0.076 4.272 4.350 -0.002 0.000 0.305 117 T C -0.291 174.325 174.700 -0.140 0.000 1.053 117 T CA -0.352 61.710 62.100 -0.063 0.000 1.058 117 T CB 0.482 69.371 68.868 0.035 0.000 0.988 117 T HN 0.511 nan 8.240 nan 0.000 0.539 118 E N 2.999 123.125 120.200 -0.123 0.000 2.608 118 E HA -0.094 4.255 4.350 -0.002 0.000 0.259 118 E C -0.649 175.831 176.600 -0.199 0.000 0.951 118 E CA -0.500 55.812 56.400 -0.148 0.000 0.945 118 E CB 0.270 29.902 29.700 -0.114 0.000 0.916 118 E HN 0.267 nan 8.360 nan 0.000 0.477 119 L N 4.881 125.985 121.223 -0.198 0.000 2.361 119 L HA 0.253 4.591 4.340 -0.002 0.000 0.278 119 L C 0.882 177.642 176.870 -0.183 0.000 1.113 119 L CA 0.689 55.389 54.840 -0.233 0.000 0.849 119 L CB 0.509 42.452 42.059 -0.193 0.000 1.155 119 L HN 0.729 nan 8.230 nan 0.000 0.452 120 G N 3.120 111.804 108.800 -0.194 0.000 2.544 120 G HA2 0.186 4.145 3.960 -0.002 0.000 0.242 120 G HA3 0.186 4.145 3.960 -0.002 0.000 0.242 120 G C -0.202 174.640 174.900 -0.096 0.000 1.247 120 G CA -0.411 44.616 45.100 -0.122 0.000 0.840 120 G HN 0.658 nan 8.290 nan 0.000 0.578 121 S N 0.274 115.934 115.700 -0.066 0.000 2.439 121 S HA 0.337 4.805 4.470 -0.002 0.000 0.282 121 S C 1.000 175.582 174.600 -0.030 0.000 1.170 121 S CA 0.070 58.239 58.200 -0.050 0.000 1.054 121 S CB 0.848 64.023 63.200 -0.042 0.000 0.956 121 S HN 0.887 nan 8.310 nan 0.000 0.490 122 S N 2.320 118.002 115.700 -0.031 0.000 3.559 122 S HA -0.123 4.346 4.470 -0.002 0.000 0.369 122 S C 0.194 174.806 174.600 0.019 0.000 0.987 122 S CA 0.432 58.626 58.200 -0.010 0.000 1.187 122 S CB -0.807 62.392 63.200 -0.001 0.000 0.914 122 S HN 0.694 nan 8.310 nan 0.000 0.480 123 E N 0.451 120.651 120.200 -0.000 0.000 2.398 123 E HA 0.146 4.495 4.350 -0.002 0.000 0.263 123 E C 1.092 177.734 176.600 0.070 0.000 1.046 123 E CA -0.064 56.354 56.400 0.029 0.000 0.908 123 E CB 0.363 30.049 29.700 -0.023 0.000 0.963 123 E HN 0.546 nan 8.360 nan 0.000 0.431 124 H N 0.471 119.545 119.070 0.008 0.000 3.058 124 H HA 0.068 4.623 4.556 -0.001 0.000 0.258 124 H C 1.713 177.074 175.328 0.055 0.000 1.015 124 H CA 0.330 56.394 56.048 0.027 0.000 1.210 124 H CB 0.934 30.706 29.762 0.016 0.000 1.481 124 H HN 0.391 nan 8.280 nan 0.000 0.492 125 S N 0.767 116.573 115.700 0.176 0.000 2.402 125 S HA -0.095 4.374 4.470 -0.002 0.000 0.229 125 S C 1.835 176.574 174.600 0.231 0.000 1.021 125 S CA 1.076 59.382 58.200 0.175 0.000 0.974 125 S CB 0.147 63.434 63.200 0.146 0.000 0.800 125 S HN 0.346 nan 8.310 nan 0.000 0.484 126 K N 0.472 120.981 120.400 0.183 0.000 2.063 126 K HA -0.051 4.268 4.320 -0.002 0.000 0.208 126 K C 1.977 178.758 176.600 0.300 0.000 1.048 126 K CA 1.536 57.994 56.287 0.285 0.000 0.928 126 K CB -0.403 32.138 32.500 0.068 0.000 0.713 126 K HN 0.218 nan 8.250 nan 0.000 0.442 127 V N 1.467 121.490 119.914 0.182 0.000 2.343 127 V HA -0.260 3.858 4.120 -0.002 0.000 0.247 127 V C 2.302 178.537 176.094 0.235 0.000 1.051 127 V CA 1.658 64.062 62.300 0.174 0.000 1.036 127 V CB -0.418 31.463 31.823 0.096 0.000 0.654 127 V HN 0.363 nan 8.190 nan 0.000 0.451 128 Q N -1.634 118.295 119.800 0.215 0.000 2.181 128 Q HA -0.258 4.081 4.340 -0.002 0.000 0.205 128 Q C 2.386 178.498 176.000 0.188 0.000 0.980 128 Q CA 1.954 57.877 55.803 0.201 0.000 0.862 128 Q CB -0.295 28.517 28.738 0.123 0.000 0.905 128 Q HN 0.734 nan 8.270 nan 0.000 0.429 129 c N 0.065 118.761 118.600 0.160 0.000 2.543 129 c HA -0.071 4.498 4.570 -0.002 0.000 0.281 129 c C 2.438 176.561 174.090 0.055 0.000 1.276 129 c CA 0.620 56.980 56.329 0.051 0.000 1.700 129 c CB -0.550 41.890 42.510 -0.117 0.000 2.093 129 c HN 0.570 nan 8.230 nan 0.000 0.488 130 E N 0.197 120.477 120.200 0.132 0.000 2.033 130 E HA -0.243 4.106 4.350 -0.002 0.000 0.199 130 E C 1.974 178.608 176.600 0.055 0.000 1.011 130 E CA 1.960 58.434 56.400 0.124 0.000 0.815 130 E CB -0.056 29.781 29.700 0.228 0.000 0.755 130 E HN 0.691 nan 8.360 nan 0.000 0.451 131 E N -1.743 118.503 120.200 0.078 0.000 2.340 131 E HA -0.051 4.298 4.350 -0.002 0.000 0.194 131 E C 1.159 177.580 176.600 -0.299 0.000 0.996 131 E CA 0.406 56.754 56.400 -0.088 0.000 0.869 131 E CB 0.345 30.000 29.700 -0.075 0.000 0.835 131 E HN 0.356 nan 8.360 nan 0.000 0.493 132 Y N -1.173 119.138 120.300 0.018 0.000 2.430 132 Y HA 0.173 4.722 4.550 -0.001 0.000 0.254 132 Y C 0.563 176.455 175.900 -0.013 0.000 1.088 132 Y CA -0.403 57.702 58.100 0.008 0.000 1.267 132 Y CB 0.697 39.168 38.460 0.018 0.000 1.204 132 Y HN -0.051 nan 8.280 nan 0.000 0.515 133 c N 0.974 119.627 118.600 0.088 0.000 4.454 133 c HA -0.137 4.431 4.570 -0.002 0.000 0.301 133 c C 0.294 174.387 174.090 0.005 0.000 1.366 133 c CA -0.908 55.423 56.329 0.004 0.000 2.016 133 c CB -3.111 39.372 42.510 -0.043 0.000 1.253 133 c HN 0.095 nan 8.230 nan 0.000 0.770 134 V N 2.001 121.942 119.914 0.044 0.000 2.356 134 V HA 0.180 4.299 4.120 -0.002 0.000 0.258 134 V C 0.750 176.833 176.094 -0.018 0.000 1.065 134 V CA 0.623 62.933 62.300 0.017 0.000 0.935 134 V CB 1.204 33.054 31.823 0.045 0.000 1.061 134 V HN 0.657 nan 8.190 nan 0.000 0.484 135 Q N 3.167 122.909 119.800 -0.098 0.000 2.432 135 Q HA 0.494 4.833 4.340 -0.002 0.000 0.264 135 Q C 0.307 176.246 176.000 -0.102 0.000 1.035 135 Q CA 0.788 56.475 55.803 -0.194 0.000 0.908 135 Q CB 1.011 29.468 28.738 -0.468 0.000 1.280 135 Q HN 1.000 nan 8.270 nan 0.000 0.455 136 G N 2.308 111.139 108.800 0.051 0.000 2.435 136 G HA2 0.151 4.110 3.960 -0.002 0.000 0.603 136 G HA3 0.151 4.110 3.960 -0.002 0.000 0.603 136 G C -0.965 174.162 174.900 0.377 0.000 1.496 136 G CA -0.260 45.027 45.100 0.311 0.000 0.896 136 G HN 0.958 nan 8.290 nan 0.000 0.657 137 D N -0.430 120.186 120.400 0.360 0.000 3.639 137 D HA -0.203 4.435 4.640 -0.002 0.000 0.162 137 D C 1.050 177.500 176.300 0.250 0.000 1.054 137 D CA 1.682 55.812 54.000 0.218 0.000 1.085 137 D CB -0.677 40.233 40.800 0.184 0.000 0.547 137 D HN 0.551 nan 8.370 nan 0.000 0.595 138 E N -0.648 119.700 120.200 0.247 0.000 2.437 138 E HA 0.191 4.540 4.350 -0.002 0.000 0.189 138 E C 0.178 177.002 176.600 0.373 0.000 1.054 138 E CA 0.105 56.669 56.400 0.274 0.000 0.874 138 E CB -0.476 29.375 29.700 0.252 0.000 1.011 138 E HN 0.383 nan 8.360 nan 0.000 0.474 139 c N 1.428 120.237 118.600 0.347 0.000 2.239 139 c HA 0.451 5.020 4.570 -0.002 0.000 0.325 139 c C -0.445 173.875 174.090 0.384 0.000 1.231 139 c CA -0.816 55.634 56.329 0.203 0.000 1.652 139 c CB -1.217 41.333 42.510 0.067 0.000 2.284 139 c HN 0.183 nan 8.230 nan 0.000 0.499 140 F N 9.209 129.320 119.950 0.267 0.000 2.371 140 F HA 0.523 5.049 4.527 -0.002 0.000 0.343 140 F C -2.502 173.350 175.800 0.088 0.000 1.150 140 F CA -3.325 54.858 58.000 0.305 0.000 1.220 140 F CB 0.302 39.613 39.000 0.517 0.000 1.475 140 F HN 0.443 nan 8.300 nan 0.000 0.521 141 P HA 0.119 nan 4.420 nan 0.000 0.269 141 P C -0.102 176.946 177.300 -0.421 0.000 1.209 141 P CA -0.003 62.975 63.100 -0.203 0.000 0.776 141 P CB 1.023 32.620 31.700 -0.171 0.000 0.876 142 I N 2.666 122.983 120.570 -0.421 0.000 2.306 142 I HA 0.303 4.472 4.170 -0.002 0.000 0.288 142 I C -0.588 175.227 176.117 -0.503 0.000 1.036 142 I CA -0.896 60.115 61.300 -0.483 0.000 1.221 142 I CB 0.431 38.160 38.000 -0.452 0.000 1.385 142 I HN 0.159 nan 8.210 nan 0.000 0.472 143 M N 7.433 126.797 119.600 -0.393 0.000 2.217 143 M HA 0.315 4.794 4.480 -0.002 0.000 0.354 143 M C -0.753 175.373 176.300 -0.290 0.000 1.225 143 M CA 0.087 55.187 55.300 -0.334 0.000 1.137 143 M CB 0.322 32.813 32.600 -0.181 0.000 1.576 143 M HN 0.355 nan 8.290 nan 0.000 0.461 144 F N 5.918 125.816 119.950 -0.086 0.000 2.467 144 F HA 0.349 4.875 4.527 -0.002 0.000 0.362 144 F C -1.509 174.255 175.800 -0.060 0.000 1.090 144 F CA -1.903 56.053 58.000 -0.073 0.000 1.202 144 F CB -0.444 38.511 39.000 -0.074 0.000 1.113 144 F HN 0.448 nan 8.300 nan 0.000 0.541 145 P HA 0.086 nan 4.420 nan 0.000 0.279 145 P C -0.635 176.696 177.300 0.051 0.000 1.282 145 P CA -0.763 62.372 63.100 0.058 0.000 0.788 145 P CB 0.750 32.471 31.700 0.035 0.000 1.139 146 K N 0.519 120.932 120.400 0.023 0.000 2.436 146 K HA -0.028 4.291 4.320 -0.002 0.000 0.275 146 K C 0.182 176.784 176.600 0.002 0.000 0.999 146 K CA 0.430 56.723 56.287 0.010 0.000 0.980 146 K CB -0.715 31.787 32.500 0.004 0.000 0.919 146 K HN 0.478 nan 8.250 nan 0.000 0.484 147 N N 1.530 120.223 118.700 -0.010 0.000 2.776 147 N HA -0.218 4.520 4.740 -0.002 0.000 0.249 147 N C -1.528 173.962 175.510 -0.033 0.000 1.111 147 N CA 0.701 53.738 53.050 -0.021 0.000 0.711 147 N CB -0.869 37.610 38.487 -0.013 0.000 1.065 147 N HN 0.626 nan 8.380 nan 0.000 0.556 148 D N -0.537 119.832 120.400 -0.051 0.000 2.177 148 D HA 0.273 4.912 4.640 -0.002 0.000 0.247 148 D C -1.577 174.629 176.300 -0.157 0.000 1.063 148 D CA -2.223 51.720 54.000 -0.095 0.000 0.867 148 D CB 1.182 41.921 40.800 -0.101 0.000 1.168 148 D HN -0.096 nan 8.370 nan 0.000 0.445 149 P HA 0.010 nan 4.420 nan 0.000 0.241 149 P C 0.529 177.681 177.300 -0.246 0.000 1.191 149 P CA 0.533 63.536 63.100 -0.161 0.000 0.771 149 P CB 0.320 31.950 31.700 -0.117 0.000 0.929 150 K N -0.500 119.656 120.400 -0.408 0.000 2.296 150 K HA 0.081 4.400 4.320 -0.002 0.000 0.200 150 K C 1.848 178.042 176.600 -0.676 0.000 1.048 150 K CA 0.609 56.513 56.287 -0.637 0.000 0.966 150 K CB -0.466 31.384 32.500 -1.084 0.000 0.754 150 K HN 0.236 nan 8.250 nan 0.000 0.466 151 L N 1.414 122.316 121.223 -0.534 0.000 2.042 151 L HA -0.199 4.140 4.340 -0.002 0.000 0.210 151 L C 2.213 178.978 176.870 -0.175 0.000 1.076 151 L CA 1.515 56.192 54.840 -0.272 0.000 0.749 151 L CB -0.217 41.760 42.059 -0.136 0.000 0.893 151 L HN 0.105 nan 8.230 nan 0.000 0.432 152 K N -1.073 119.227 120.400 -0.167 0.000 2.288 152 K HA -0.049 4.270 4.320 -0.002 0.000 0.201 152 K C 1.450 177.986 176.600 -0.107 0.000 1.048 152 K CA 1.625 57.844 56.287 -0.113 0.000 0.956 152 K CB 0.055 32.498 32.500 -0.096 0.000 0.746 152 K HN 0.457 nan 8.250 nan 0.000 0.461 153 T N -2.340 112.130 114.554 -0.140 0.000 2.986 153 T HA 0.153 4.502 4.350 -0.002 0.000 0.264 153 T C 1.470 176.105 174.700 -0.109 0.000 0.964 153 T CA -0.374 61.660 62.100 -0.110 0.000 0.895 153 T CB 0.491 69.296 68.868 -0.105 0.000 1.163 153 T HN -0.010 nan 8.240 nan 0.000 0.517 154 Q N 0.738 120.447 119.800 -0.151 0.000 2.581 154 Q HA 0.531 4.870 4.340 -0.002 0.000 0.222 154 Q C 1.048 177.033 176.000 -0.026 0.000 0.904 154 Q CA 0.641 56.382 55.803 -0.103 0.000 0.923 154 Q CB 1.380 30.023 28.738 -0.158 0.000 1.117 154 Q HN 0.558 nan 8.270 nan 0.000 0.618 155 G N 0.230 109.043 108.800 0.021 0.000 2.333 155 G HA2 0.079 4.037 3.960 -0.002 0.000 0.288 155 G HA3 0.079 4.037 3.960 -0.002 0.000 0.288 155 G C -0.881 174.149 174.900 0.217 0.000 1.286 155 G CA -0.582 44.569 45.100 0.085 0.000 0.865 155 G HN -0.071 nan 8.290 nan 0.000 0.506 156 K N -1.021 119.476 120.400 0.160 0.000 2.361 156 K HA 0.320 4.638 4.320 -0.002 0.000 0.196 156 K C 0.605 177.250 176.600 0.075 0.000 1.039 156 K CA 1.091 57.488 56.287 0.182 0.000 1.001 156 K CB 0.185 32.710 32.500 0.040 0.000 0.795 156 K HN 0.823 nan 8.250 nan 0.000 0.495 157 c N -1.838 116.673 118.600 -0.148 0.000 3.239 157 c HA 0.579 5.148 4.570 -0.002 0.000 0.317 157 c C -0.965 172.791 174.090 -0.555 0.000 1.310 157 c CA -1.415 54.548 56.329 -0.611 0.000 1.371 157 c CB 0.736 43.048 42.510 -0.330 0.000 1.714 157 c HN 0.059 nan 8.230 nan 0.000 0.473 158 M N 3.894 123.085 119.600 -0.682 0.000 2.157 158 M HA 0.421 4.899 4.480 -0.002 0.000 0.354 158 M C -2.129 174.113 176.300 -0.098 0.000 1.170 158 M CA -1.463 53.650 55.300 -0.311 0.000 1.060 158 M CB 1.788 34.269 32.600 -0.198 0.000 1.615 158 M HN 0.590 nan 8.290 nan 0.000 0.460 159 P HA 0.050 nan 4.420 nan 0.000 0.267 159 P C -1.291 175.989 177.300 -0.033 0.000 1.200 159 P CA 0.268 63.309 63.100 -0.098 0.000 0.772 159 P CB 0.366 31.985 31.700 -0.134 0.000 0.855 160 F N 3.027 122.751 119.950 -0.377 0.000 2.653 160 F HA 0.462 4.987 4.527 -0.002 0.000 0.327 160 F C -1.620 173.998 175.800 -0.304 0.000 1.195 160 F CA -0.853 56.996 58.000 -0.252 0.000 0.993 160 F CB 0.944 39.827 39.000 -0.195 0.000 1.259 160 F HN 0.066 nan 8.300 nan 0.000 0.478 161 F N 5.396 125.154 119.950 -0.320 0.000 2.420 161 F HA 0.578 5.104 4.527 -0.003 0.000 0.342 161 F C 0.645 176.270 175.800 -0.292 0.000 1.113 161 F CA -0.762 57.145 58.000 -0.155 0.000 1.059 161 F CB 1.302 40.239 39.000 -0.104 0.000 1.128 161 F HN 0.290 nan 8.300 nan 0.000 0.475 162 R N 1.552 122.158 120.500 0.176 0.000 2.738 162 R HA 0.518 4.856 4.340 -0.002 0.000 0.268 162 R C -0.041 176.301 176.300 0.070 0.000 1.062 162 R CA -0.547 55.658 56.100 0.174 0.000 1.158 162 R CB 0.480 30.912 30.300 0.220 0.000 1.046 162 R HN 0.728 nan 8.270 nan 0.000 0.493 163 A N 1.187 124.029 122.820 0.036 0.000 2.371 163 A HA 0.395 4.714 4.320 -0.002 0.000 0.257 163 A C 0.578 178.178 177.584 0.027 0.000 1.089 163 A CA -0.049 51.978 52.037 -0.016 0.000 0.794 163 A CB 0.384 19.334 19.000 -0.082 0.000 1.029 163 A HN 0.772 nan 8.150 nan 0.000 0.488 164 G N -0.228 108.567 108.800 -0.008 0.000 2.630 164 G HA2 0.456 4.414 3.960 -0.002 0.000 0.236 164 G HA3 0.456 4.414 3.960 -0.002 0.000 0.236 164 G C -0.344 174.619 174.900 0.106 0.000 1.248 164 G CA 0.332 45.432 45.100 -0.000 0.000 0.844 164 G HN 1.303 nan 8.290 nan 0.000 0.588 165 F N -0.907 118.985 119.950 -0.096 0.000 2.643 165 F HA 0.574 5.099 4.527 -0.003 0.000 0.314 165 F C 0.280 176.030 175.800 -0.084 0.000 1.096 165 F CA -1.143 56.810 58.000 -0.078 0.000 0.953 165 F CB 1.532 40.486 39.000 -0.077 0.000 1.345 165 F HN 0.518 nan 8.300 nan 0.000 0.468 166 V N -0.908 119.028 119.914 0.037 0.000 3.661 166 V HA 0.103 4.222 4.120 -0.002 0.000 0.271 166 V C 1.401 177.442 176.094 -0.088 0.000 1.315 166 V CA 1.217 63.472 62.300 -0.075 0.000 1.072 166 V CB -0.010 31.812 31.823 -0.001 0.000 0.830 166 V HN 1.050 nan 8.190 nan 0.000 0.443 167 c N 1.107 119.695 118.600 -0.020 0.000 2.429 167 c HA 0.226 4.795 4.570 -0.002 0.000 0.277 167 c C -1.159 172.753 174.090 -0.296 0.000 1.262 167 c CA 1.763 58.047 56.329 -0.075 0.000 1.733 167 c CB -0.934 41.636 42.510 0.100 0.000 2.010 167 c HN 0.754 nan 8.230 nan 0.000 0.483 168 P HA 0.295 nan 4.420 nan 0.000 0.302 168 P C -0.427 176.531 177.300 -0.570 0.000 1.095 168 P CA 0.178 62.949 63.100 -0.549 0.000 1.123 168 P CB 1.401 32.523 31.700 -0.963 0.000 1.478 169 T N -1.557 112.710 114.554 -0.479 0.000 3.040 169 T HA 0.323 4.672 4.350 -0.002 0.000 0.266 169 T C -1.574 172.875 174.700 -0.419 0.000 1.005 169 T CA -0.187 61.594 62.100 -0.531 0.000 0.906 169 T CB -0.668 67.996 68.868 -0.339 0.000 1.082 169 T HN 0.305 nan 8.240 nan 0.000 0.531 170 P HA 0.450 nan 4.420 nan 0.000 0.203 170 P C -2.517 174.894 177.300 0.185 0.000 1.106 170 P CA 0.367 63.446 63.100 -0.035 0.000 0.918 170 P CB 0.159 31.852 31.700 -0.012 0.000 0.754 171 P HA 0.424 nan 4.420 nan 0.000 0.371 171 P C -1.901 175.662 177.300 0.437 0.000 1.310 171 P CA -0.453 62.869 63.100 0.370 0.000 1.448 171 P CB 2.461 34.264 31.700 0.170 0.000 2.811 172 Y N -0.543 119.832 120.300 0.125 0.000 2.656 172 Y HA 0.436 4.985 4.550 -0.002 0.000 0.334 172 Y C -1.133 174.740 175.900 -0.046 0.000 1.179 172 Y CA -0.475 57.662 58.100 0.060 0.000 1.050 172 Y CB 2.433 40.974 38.460 0.134 0.000 1.308 172 Y HN 0.266 nan 8.280 nan 0.000 0.456 173 Q N 2.291 122.020 119.800 -0.118 0.000 2.347 173 Q HA 0.688 5.027 4.340 -0.002 0.000 0.265 173 Q C -1.098 174.809 176.000 -0.155 0.000 1.024 173 Q CA -0.655 55.066 55.803 -0.136 0.000 0.731 173 Q CB 2.135 30.785 28.738 -0.146 0.000 1.245 173 Q HN 0.659 nan 8.270 nan 0.000 0.472 174 S N 0.732 116.394 115.700 -0.062 0.000 2.703 174 S HA 0.534 5.002 4.470 -0.002 0.000 0.273 174 S C -1.036 173.580 174.600 0.027 0.000 1.178 174 S CA -1.054 57.139 58.200 -0.011 0.000 0.838 174 S CB 0.546 63.789 63.200 0.073 0.000 1.178 174 S HN 0.523 nan 8.310 nan 0.000 0.494 175 L N 2.368 123.624 121.223 0.056 0.000 2.593 175 L HA 0.487 4.826 4.340 -0.002 0.000 0.287 175 L C 0.751 177.663 176.870 0.070 0.000 1.243 175 L CA 0.796 55.673 54.840 0.063 0.000 0.890 175 L CB -0.617 41.490 42.059 0.080 0.000 1.134 175 L HN 1.172 nan 8.230 nan 0.000 0.502 176 A N 5.379 128.245 122.820 0.076 0.000 2.587 176 A HA 0.104 4.423 4.320 -0.002 0.000 0.235 176 A C 0.556 178.217 177.584 0.127 0.000 1.044 176 A CA 0.460 52.561 52.037 0.106 0.000 0.754 176 A CB -0.301 18.816 19.000 0.196 0.000 0.968 176 A HN 0.999 nan 8.150 nan 0.000 0.509 177 R N 2.120 122.658 120.500 0.063 0.000 2.640 177 R HA 0.168 4.507 4.340 -0.002 0.000 0.270 177 R C -1.164 175.222 176.300 0.143 0.000 1.024 177 R CA 0.311 56.436 56.100 0.042 0.000 1.085 177 R CB 0.449 30.626 30.300 -0.204 0.000 0.963 177 R HN 0.603 nan 8.270 nan 0.000 0.426 178 D N 2.661 123.149 120.400 0.146 0.000 2.375 178 D HA 0.171 4.810 4.640 -0.002 0.000 0.247 178 D C -0.843 175.544 176.300 0.145 0.000 1.061 178 D CA -0.540 53.546 54.000 0.144 0.000 0.834 178 D CB 1.947 42.819 40.800 0.119 0.000 1.247 178 D HN 0.496 nan 8.370 nan 0.000 0.489 179 Q N 0.891 120.771 119.800 0.135 0.000 2.259 179 Q HA 0.474 4.812 4.340 -0.002 0.000 0.246 179 Q C 0.085 176.138 176.000 0.088 0.000 0.920 179 Q CA -0.441 55.425 55.803 0.105 0.000 0.895 179 Q CB 1.782 30.571 28.738 0.085 0.000 1.220 179 Q HN 0.495 nan 8.270 nan 0.000 0.439 180 I N -1.291 119.299 120.570 0.032 0.000 2.428 180 I HA 0.522 4.691 4.170 -0.002 0.000 0.296 180 I C -0.441 175.665 176.117 -0.018 0.000 0.985 180 I CA -0.910 60.389 61.300 -0.002 0.000 1.260 180 I CB 1.524 39.498 38.000 -0.044 0.000 1.389 180 I HN 0.334 nan 8.210 nan 0.000 0.484 181 N N 4.680 123.379 118.700 -0.001 0.000 2.500 181 N HA 0.397 5.136 4.740 -0.002 0.000 0.236 181 N C 0.543 176.061 175.510 0.014 0.000 1.022 181 N CA -0.149 52.906 53.050 0.009 0.000 0.935 181 N CB 1.527 40.026 38.487 0.019 0.000 1.147 181 N HN 0.805 nan 8.380 nan 0.000 0.512 182 A N 2.530 125.353 122.820 0.005 0.000 2.239 182 A HA 0.110 4.429 4.320 -0.002 0.000 0.209 182 A C 0.600 178.253 177.584 0.115 0.000 1.171 182 A CA 0.582 52.641 52.037 0.037 0.000 0.768 182 A CB -0.428 18.567 19.000 -0.007 0.000 0.790 182 A HN 0.468 nan 8.150 nan 0.000 0.478 183 V N -3.880 116.107 119.914 0.122 0.000 3.126 183 V HA 0.747 4.866 4.120 -0.002 0.000 0.314 183 V C 0.049 176.199 176.094 0.092 0.000 1.138 183 V CA -0.365 62.008 62.300 0.121 0.000 1.034 183 V CB 1.012 32.914 31.823 0.132 0.000 1.075 183 V HN 0.325 nan 8.190 nan 0.000 0.442 184 T N -0.961 113.662 114.554 0.114 0.000 2.897 184 T HA 0.305 4.654 4.350 -0.002 0.000 0.294 184 T C 0.708 175.433 174.700 0.042 0.000 1.004 184 T CA 0.213 62.385 62.100 0.121 0.000 1.106 184 T CB 1.033 70.048 68.868 0.244 0.000 0.949 184 T HN 0.814 nan 8.240 nan 0.000 0.520 185 S N 1.759 117.356 115.700 -0.171 0.000 2.701 185 S HA 0.260 4.728 4.470 -0.002 0.000 0.220 185 S C -0.486 173.875 174.600 -0.399 0.000 0.954 185 S CA -0.388 57.619 58.200 -0.322 0.000 0.936 185 S CB -0.704 62.228 63.200 -0.446 0.000 0.777 185 S HN 0.639 nan 8.310 nan 0.000 0.518 186 F N 0.410 120.456 119.950 0.159 0.000 2.522 186 F HA 0.455 4.981 4.527 -0.002 0.000 0.324 186 F C 0.127 176.072 175.800 0.242 0.000 1.077 186 F CA -1.321 56.809 58.000 0.218 0.000 0.944 186 F CB 0.739 39.877 39.000 0.229 0.000 1.175 186 F HN -0.166 nan 8.300 nan 0.000 0.468 187 L N 3.442 124.970 121.223 0.509 0.000 2.536 187 L HA 0.138 4.477 4.340 -0.002 0.000 0.282 187 L C -0.475 176.614 176.870 0.365 0.000 1.147 187 L CA 0.230 55.327 54.840 0.427 0.000 0.936 187 L CB -0.416 41.953 42.059 0.516 0.000 1.279 187 L HN 0.648 nan 8.230 nan 0.000 0.461 188 D N 2.305 122.885 120.400 0.301 0.000 2.914 188 D HA 0.179 4.817 4.640 -0.002 0.000 0.349 188 D C 0.530 176.971 176.300 0.236 0.000 1.540 188 D CA -0.124 54.024 54.000 0.247 0.000 0.778 188 D CB 0.439 41.375 40.800 0.228 0.000 1.213 188 D HN 0.360 nan 8.370 nan 0.000 0.451 189 A N 0.321 123.278 122.820 0.229 0.000 2.596 189 A HA -0.249 4.070 4.320 -0.002 0.000 0.300 189 A C 1.665 179.376 177.584 0.211 0.000 1.495 189 A CA 1.070 53.231 52.037 0.206 0.000 0.769 189 A CB -2.325 16.869 19.000 0.323 0.000 1.047 189 A HN 0.393 nan 8.150 nan 0.000 0.436 190 S N -0.638 115.162 115.700 0.168 0.000 2.382 190 S HA -0.119 4.349 4.470 -0.002 0.000 0.228 190 S C 1.791 176.450 174.600 0.098 0.000 1.027 190 S CA 1.660 59.953 58.200 0.155 0.000 0.991 190 S CB -0.423 62.865 63.200 0.147 0.000 0.823 190 S HN 1.139 nan 8.310 nan 0.000 0.469 191 L N 0.989 122.239 121.223 0.046 0.000 2.093 191 L HA 0.075 4.414 4.340 -0.002 0.000 0.208 191 L C 2.105 178.974 176.870 -0.000 0.000 1.085 191 L CA 0.966 55.827 54.840 0.036 0.000 0.755 191 L CB -1.595 40.447 42.059 -0.028 0.000 0.904 191 L HN 0.101 nan 8.230 nan 0.000 0.435 192 V N -1.497 118.316 119.914 -0.168 0.000 2.407 192 V HA -0.167 3.952 4.120 -0.002 0.000 0.245 192 V C 2.227 178.035 176.094 -0.476 0.000 1.041 192 V CA 1.541 63.600 62.300 -0.401 0.000 1.040 192 V CB -0.719 30.663 31.823 -0.735 0.000 0.671 192 V HN 0.374 nan 8.190 nan 0.000 0.455 193 Y N 0.434 120.736 120.300 0.004 0.000 2.476 193 Y HA 0.512 5.060 4.550 -0.002 0.000 0.283 193 Y C 1.397 177.328 175.900 0.053 0.000 1.109 193 Y CA 0.672 58.785 58.100 0.020 0.000 1.246 193 Y CB 0.392 38.852 38.460 0.000 0.000 1.068 193 Y HN 0.365 nan 8.280 nan 0.000 0.552 194 G N -0.397 108.499 108.800 0.161 0.000 2.539 194 G HA2 -0.117 3.841 3.960 -0.002 0.000 0.686 194 G HA3 -0.117 3.841 3.960 -0.002 0.000 0.686 194 G C -0.057 174.920 174.900 0.129 0.000 1.258 194 G CA -0.312 44.860 45.100 0.120 0.000 0.846 194 G HN -0.050 nan 8.290 nan 0.000 0.647 195 S N 0.295 116.059 115.700 0.106 0.000 2.593 195 S HA 0.326 4.795 4.470 -0.002 0.000 0.236 195 S C 0.287 174.940 174.600 0.088 0.000 0.991 195 S CA 0.321 58.585 58.200 0.108 0.000 0.963 195 S CB 0.259 63.526 63.200 0.112 0.000 0.865 195 S HN 0.564 nan 8.310 nan 0.000 0.488 196 E N 1.813 122.058 120.200 0.076 0.000 2.256 196 E HA 0.360 4.709 4.350 -0.002 0.000 0.268 196 E C -2.902 173.726 176.600 0.047 0.000 0.877 196 E CA -2.286 54.147 56.400 0.055 0.000 0.757 196 E CB 1.737 31.465 29.700 0.046 0.000 1.183 196 E HN 0.007 nan 8.360 nan 0.000 0.418 200 A N 0.592 123.431 122.820 0.031 0.000 1.958 200 A HA -0.225 4.094 4.320 -0.002 0.000 0.221 200 A C 2.182 179.764 177.584 -0.003 0.000 1.178 200 A CA 3.041 55.107 52.037 0.048 0.000 0.642 200 A CB -0.906 18.127 19.000 0.055 0.000 0.816 200 A HN 0.822 nan 8.150 nan 0.000 0.453 201 S N -0.381 115.294 115.700 -0.042 0.000 2.475 201 S HA -0.047 4.422 4.470 -0.002 0.000 0.224 201 S C 1.857 176.427 174.600 -0.050 0.000 1.042 201 S CA 0.543 58.691 58.200 -0.088 0.000 0.935 201 S CB -0.378 62.759 63.200 -0.104 0.000 0.801 201 S HN 0.788 nan 8.310 nan 0.000 0.509 202 R N 1.549 122.035 120.500 -0.023 0.000 2.200 202 R HA 0.117 4.456 4.340 -0.002 0.000 0.234 202 R C 1.699 177.997 176.300 -0.003 0.000 1.127 202 R CA 1.307 57.401 56.100 -0.010 0.000 0.989 202 R CB -0.827 29.473 30.300 -0.000 0.000 0.869 202 R HN 0.406 nan 8.270 nan 0.000 0.459 203 L N 0.345 121.568 121.223 0.000 0.000 2.492 203 L HA 0.122 4.461 4.340 -0.002 0.000 0.223 203 L C 0.840 177.716 176.870 0.011 0.000 1.132 203 L CA 0.274 55.119 54.840 0.009 0.000 0.850 203 L CB -0.069 42.002 42.059 0.021 0.000 0.966 203 L HN 0.132 nan 8.230 nan 0.000 0.454 204 R N 0.250 120.744 120.500 -0.010 0.000 2.573 204 R HA 0.183 4.521 4.340 -0.002 0.000 0.272 204 R C 0.099 176.400 176.300 0.002 0.000 1.009 204 R CA -0.643 55.451 56.100 -0.010 0.000 1.059 204 R CB 0.646 30.872 30.300 -0.123 0.000 1.112 204 R HN -0.139 nan 8.270 nan 0.000 0.517 205 N N 2.943 121.662 118.700 0.032 0.000 2.767 205 N HA 0.072 4.811 4.740 -0.002 0.000 0.238 205 N C 0.039 175.561 175.510 0.019 0.000 1.083 205 N CA 0.022 53.093 53.050 0.034 0.000 0.964 205 N CB 0.501 39.024 38.487 0.061 0.000 1.252 205 N HN 0.556 nan 8.380 nan 0.000 0.512 206 L N 1.298 122.519 121.223 -0.004 0.000 2.592 206 L HA 0.090 4.429 4.340 -0.002 0.000 0.227 206 L C 1.821 178.691 176.870 0.000 0.000 1.127 206 L CA 0.049 54.879 54.840 -0.016 0.000 0.884 206 L CB 0.068 42.103 42.059 -0.039 0.000 1.065 206 L HN 0.328 nan 8.230 nan 0.000 0.457 207 S N -0.318 115.389 115.700 0.012 0.000 2.383 207 S HA -0.077 4.391 4.470 -0.002 0.000 0.227 207 S C 1.161 175.774 174.600 0.022 0.000 1.026 207 S CA 0.937 59.147 58.200 0.018 0.000 0.981 207 S CB -0.113 63.103 63.200 0.025 0.000 0.818 207 S HN 0.588 nan 8.310 nan 0.000 0.472 208 S N 1.412 117.129 115.700 0.028 0.000 2.687 208 S HA 0.464 4.933 4.470 -0.002 0.000 0.283 208 S C -2.656 171.962 174.600 0.030 0.000 1.170 208 S CA -1.340 56.879 58.200 0.031 0.000 1.008 208 S CB 1.072 64.296 63.200 0.039 0.000 1.026 208 S HN 0.017 nan 8.310 nan 0.000 0.541 209 P HA 0.341 nan 4.420 nan 0.000 0.254 209 P C 0.310 177.637 177.300 0.046 0.000 1.494 209 P CA -0.093 63.029 63.100 0.036 0.000 0.961 209 P CB -0.185 31.537 31.700 0.036 0.000 1.493 210 L N -1.394 119.858 121.223 0.048 0.000 2.592 210 L HA 0.309 4.648 4.340 -0.002 0.000 0.227 210 L C 1.331 178.240 176.870 0.066 0.000 1.127 210 L CA 0.500 55.370 54.840 0.050 0.000 0.884 210 L CB -0.764 41.318 42.059 0.038 0.000 1.065 210 L HN 0.122 nan 8.230 nan 0.000 0.457 211 G N 1.280 110.134 108.800 0.090 0.000 2.221 211 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.265 211 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.265 211 G C 0.085 175.137 174.900 0.253 0.000 1.041 211 G CA 0.021 45.217 45.100 0.159 0.000 0.807 211 G HN 0.242 nan 8.290 nan 0.000 0.502 212 L N -0.123 121.219 121.223 0.198 0.000 2.399 212 L HA 0.599 4.938 4.340 -0.002 0.000 0.265 212 L C 1.211 178.254 176.870 0.289 0.000 1.089 212 L CA -1.132 53.854 54.840 0.245 0.000 0.802 212 L CB 0.830 42.968 42.059 0.131 0.000 1.180 212 L HN 0.061 nan 8.230 nan 0.000 0.454 213 M N 1.228 121.021 119.600 0.321 0.000 2.288 213 M HA 0.316 4.795 4.480 -0.002 0.000 0.334 213 M C 0.297 176.648 176.300 0.085 0.000 1.150 213 M CA -0.429 54.967 55.300 0.159 0.000 1.118 213 M CB 1.103 33.748 32.600 0.074 0.000 1.501 213 M HN 0.674 nan 8.290 nan 0.000 0.462 214 A N 2.273 125.117 122.820 0.040 0.000 2.520 214 A HA 0.449 4.768 4.320 -0.002 0.000 0.235 214 A C 0.045 177.617 177.584 -0.020 0.000 1.065 214 A CA -0.394 51.652 52.037 0.014 0.000 0.764 214 A CB -0.016 18.987 19.000 0.005 0.000 1.002 214 A HN 0.818 nan 8.150 nan 0.000 0.502 215 V N 0.197 120.082 119.914 -0.047 0.000 3.141 215 V HA 0.573 4.692 4.120 -0.002 0.000 0.312 215 V C -0.045 175.921 176.094 -0.213 0.000 1.157 215 V CA -1.408 60.806 62.300 -0.143 0.000 1.041 215 V CB 1.844 33.562 31.823 -0.176 0.000 1.071 215 V HN 0.832 nan 8.190 nan 0.000 0.441 216 N N 1.838 120.322 118.700 -0.360 0.000 2.475 216 N HA 0.193 4.932 4.740 -0.002 0.000 0.267 216 N C 0.632 175.839 175.510 -0.505 0.000 1.169 216 N CA 0.036 52.835 53.050 -0.417 0.000 0.947 216 N CB 1.590 39.782 38.487 -0.492 0.000 1.061 216 N HN 0.776 nan 8.380 nan 0.000 0.466 217 Q N 1.977 121.671 119.800 -0.177 0.000 2.250 217 Q HA 0.014 4.353 4.340 -0.002 0.000 0.200 217 Q C 0.844 176.949 176.000 0.175 0.000 0.941 217 Q CA 0.861 56.713 55.803 0.081 0.000 0.872 217 Q CB 0.272 29.099 28.738 0.149 0.000 0.965 217 Q HN 0.627 nan 8.270 nan 0.000 0.480 218 E N 0.995 121.253 120.200 0.096 0.000 2.076 218 E HA 0.072 4.420 4.350 -0.002 0.000 0.190 218 E C 0.449 177.192 176.600 0.239 0.000 0.979 218 E CA 0.566 57.103 56.400 0.228 0.000 0.807 218 E CB 0.105 30.031 29.700 0.377 0.000 0.761 218 E HN 0.146 nan 8.360 nan 0.000 0.454 219 A N 0.220 123.086 122.820 0.077 0.000 2.350 219 A HA 0.598 4.916 4.320 -0.002 0.000 0.324 219 A C -1.467 176.107 177.584 -0.016 0.000 1.118 219 A CA -0.575 51.577 52.037 0.192 0.000 0.783 219 A CB 0.928 20.095 19.000 0.279 0.000 1.236 219 A HN 0.101 nan 8.150 nan 0.000 0.457 220 W N 0.313 121.724 121.300 0.186 0.000 3.062 220 W HA 0.563 5.222 4.660 -0.002 0.000 0.336 220 W C -1.275 175.174 176.519 -0.116 0.000 1.224 220 W CA -0.041 57.281 57.345 -0.038 0.000 1.159 220 W CB 1.956 31.395 29.460 -0.035 0.000 1.454 220 W HN 0.717 nan 8.180 nan 0.000 0.569 221 D N 0.130 120.506 120.400 -0.039 0.000 2.602 221 D HA 0.171 4.810 4.640 -0.002 0.000 0.245 221 D C -0.062 176.248 176.300 0.017 0.000 1.325 221 D CA -0.549 53.398 54.000 -0.089 0.000 0.952 221 D CB 0.297 41.038 40.800 -0.099 0.000 1.317 221 D HN 0.671 nan 8.370 nan 0.000 0.577 222 H N 1.902 120.990 119.070 0.031 0.000 2.776 222 H HA -0.205 4.350 4.556 -0.002 0.000 0.300 222 H C 1.388 176.748 175.328 0.054 0.000 1.161 222 H CA 1.539 57.578 56.048 -0.015 0.000 1.147 222 H CB -1.428 28.268 29.762 -0.110 0.000 1.366 222 H HN 1.089 nan 8.280 nan 0.000 0.397 223 G N -0.967 107.900 108.800 0.111 0.000 2.225 223 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.254 223 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.254 223 G C 0.505 175.513 174.900 0.180 0.000 0.988 223 G CA 0.483 45.633 45.100 0.084 0.000 0.625 223 G HN 0.428 nan 8.290 nan 0.000 0.527 224 L N 0.509 121.844 121.223 0.186 0.000 2.469 224 L HA 0.752 5.091 4.340 -0.002 0.000 0.253 224 L C 1.089 177.993 176.870 0.057 0.000 1.143 224 L CA -0.396 54.505 54.840 0.103 0.000 0.804 224 L CB 0.930 42.996 42.059 0.011 0.000 1.214 224 L HN 0.342 nan 8.230 nan 0.000 0.476 225 A N -0.562 122.191 122.820 -0.111 0.000 2.269 225 A HA 0.730 5.049 4.320 -0.002 0.000 0.327 225 A C -1.453 175.845 177.584 -0.477 0.000 1.112 225 A CA -0.258 51.598 52.037 -0.302 0.000 0.865 225 A CB 0.884 19.777 19.000 -0.178 0.000 1.227 225 A HN 0.457 nan 8.150 nan 0.000 0.498 226 Y N -0.864 119.209 120.300 -0.379 0.000 2.602 226 Y HA 0.537 5.086 4.550 -0.002 0.000 0.342 226 Y C -2.285 173.391 175.900 -0.374 0.000 1.029 226 Y CA -2.554 55.322 58.100 -0.374 0.000 1.080 226 Y CB 1.461 39.744 38.460 -0.295 0.000 1.284 226 Y HN 0.411 nan 8.280 nan 0.000 0.485 227 P HA 0.146 nan 4.420 nan 0.000 0.270 227 P C -2.663 174.610 177.300 -0.046 0.000 1.223 227 P CA -1.099 61.912 63.100 -0.150 0.000 0.785 227 P CB 0.061 31.638 31.700 -0.206 0.000 0.923 228 P HA 0.178 nan 4.420 nan 0.000 0.278 228 P C -0.588 176.701 177.300 -0.019 0.000 1.238 228 P CA -0.156 62.880 63.100 -0.107 0.000 0.794 228 P CB 0.200 31.875 31.700 -0.041 0.000 0.955 229 F N 1.114 121.092 119.950 0.046 0.000 2.563 229 F HA 0.081 4.607 4.527 -0.002 0.000 0.363 229 F C 1.565 177.362 175.800 -0.005 0.000 1.123 229 F CA 0.274 58.263 58.000 -0.018 0.000 1.307 229 F CB -0.293 38.674 39.000 -0.054 0.000 1.115 229 F HN 0.245 nan 8.300 nan 0.000 0.592 230 N N 3.921 122.742 118.700 0.202 0.000 2.521 230 N HA 0.001 4.739 4.740 -0.002 0.000 0.236 230 N C -0.877 174.674 175.510 0.068 0.000 1.067 230 N CA -0.260 52.853 53.050 0.106 0.000 0.939 230 N CB -0.349 38.182 38.487 0.075 0.000 1.201 230 N HN 0.400 nan 8.380 nan 0.000 0.511 231 N N 3.760 122.497 118.700 0.061 0.000 2.895 231 N HA -0.017 4.722 4.740 -0.002 0.000 0.277 231 N C 0.916 176.429 175.510 0.005 0.000 1.185 231 N CA -0.060 53.002 53.050 0.021 0.000 1.106 231 N CB 1.376 39.879 38.487 0.027 0.000 1.422 231 N HN 0.331 nan 8.380 nan 0.000 0.521 232 V N 1.494 121.405 119.914 -0.005 0.000 2.581 232 V HA 0.053 4.172 4.120 -0.002 0.000 0.240 232 V C 0.166 176.244 176.094 -0.026 0.000 1.054 232 V CA 0.737 63.028 62.300 -0.016 0.000 1.076 232 V CB -0.318 31.492 31.823 -0.020 0.000 0.748 232 V HN 0.627 nan 8.190 nan 0.000 0.474 233 K N 1.738 122.120 120.400 -0.029 0.000 6.478 233 K HA -0.107 4.212 4.320 -0.002 0.000 0.706 233 K C -2.376 174.198 176.600 -0.042 0.000 2.136 233 K CA 0.499 56.768 56.287 -0.029 0.000 1.616 233 K CB -1.038 31.449 32.500 -0.022 0.000 1.834 233 K HN 0.533 nan 8.250 nan 0.000 0.304 234 P HA 0.117 nan 4.420 nan 0.000 0.286 234 P C -0.624 176.637 177.300 -0.065 0.000 1.269 234 P CA -0.518 62.551 63.100 -0.052 0.000 0.787 234 P CB 1.476 33.128 31.700 -0.079 0.000 0.920 235 S N 3.067 118.747 115.700 -0.033 0.000 2.541 235 S HA 0.418 4.887 4.470 -0.002 0.000 0.283 235 S C -1.487 173.109 174.600 -0.007 0.000 1.196 235 S CA -1.229 56.949 58.200 -0.037 0.000 1.062 235 S CB 1.283 64.474 63.200 -0.015 0.000 1.009 235 S HN 0.280 nan 8.310 nan 0.000 0.502 236 P HA 0.007 nan 4.420 nan 0.000 0.220 236 P C 1.149 178.572 177.300 0.205 0.000 1.148 236 P CA 0.664 63.762 63.100 -0.004 0.000 0.803 236 P CB -0.325 31.091 31.700 -0.472 0.000 0.782 237 c N 0.362 119.057 118.600 0.157 0.000 2.462 237 c HA -0.062 4.507 4.570 -0.002 0.000 0.278 237 c C 2.698 176.880 174.090 0.154 0.000 1.253 237 c CA 0.757 57.214 56.329 0.213 0.000 1.713 237 c CB -1.580 41.023 42.510 0.155 0.000 2.049 237 c HN 0.310 nan 8.230 nan 0.000 0.477 238 E N -0.063 120.191 120.200 0.091 0.000 2.130 238 E HA -0.267 4.082 4.350 -0.002 0.000 0.196 238 E C 1.750 178.390 176.600 0.067 0.000 0.998 238 E CA 1.411 57.835 56.400 0.040 0.000 0.806 238 E CB -0.297 29.421 29.700 0.029 0.000 0.738 238 E HN 0.740 nan 8.360 nan 0.000 0.459 239 F N 1.291 121.243 119.950 0.003 0.000 2.407 239 F HA -0.025 4.501 4.527 -0.002 0.000 0.299 239 F C 1.912 177.708 175.800 -0.007 0.000 1.097 239 F CA 0.718 58.727 58.000 0.016 0.000 1.422 239 F CB 0.047 39.103 39.000 0.094 0.000 1.067 239 F HN -0.027 nan 8.300 nan 0.000 0.539 240 I N -2.013 118.515 120.570 -0.070 0.000 3.428 240 I HA 0.081 4.250 4.170 -0.002 0.000 0.286 240 I C 0.041 176.047 176.117 -0.184 0.000 1.287 240 I CA 0.543 61.742 61.300 -0.169 0.000 1.396 240 I CB -0.259 37.704 38.000 -0.062 0.000 1.062 240 I HN 0.129 nan 8.210 nan 0.000 0.471 241 N N 1.236 119.790 118.700 -0.243 0.000 3.049 241 N HA 0.008 4.747 4.740 -0.002 0.000 0.241 241 N C 0.416 175.696 175.510 -0.382 0.000 1.323 241 N CA 0.530 53.338 53.050 -0.404 0.000 0.824 241 N CB 1.229 39.269 38.487 -0.745 0.000 1.557 241 N HN 0.219 nan 8.380 nan 0.000 0.612 242 T N -1.401 112.938 114.554 -0.357 0.000 3.088 242 T HA 0.003 4.352 4.350 -0.002 0.000 0.259 242 T C 1.480 175.836 174.700 -0.573 0.000 1.122 242 T CA 1.119 63.006 62.100 -0.354 0.000 1.095 242 T CB 0.045 68.777 68.868 -0.226 0.000 0.930 242 T HN 0.258 nan 8.240 nan 0.000 0.508 243 T N 1.998 116.254 114.554 -0.498 0.000 2.821 243 T HA 0.178 4.527 4.350 -0.002 0.000 0.267 243 T C 2.368 176.755 174.700 -0.521 0.000 1.046 243 T CA 1.084 62.898 62.100 -0.476 0.000 1.139 243 T CB -0.555 68.114 68.868 -0.332 0.000 0.871 243 T HN 0.597 nan 8.240 nan 0.000 0.454 244 A N 0.629 123.157 122.820 -0.487 0.000 2.014 244 A HA -0.047 4.272 4.320 -0.002 0.000 0.218 244 A C 0.617 178.100 177.584 -0.168 0.000 1.163 244 A CA 0.549 52.402 52.037 -0.306 0.000 0.652 244 A CB -0.572 18.223 19.000 -0.342 0.000 0.808 244 A HN 0.699 nan 8.150 nan 0.000 0.449 245 H N -1.584 117.393 119.070 -0.155 0.000 2.604 245 H HA -0.126 4.429 4.556 -0.002 0.000 0.321 245 H C -0.839 174.352 175.328 -0.228 0.000 1.132 245 H CA 0.805 56.758 56.048 -0.160 0.000 1.129 245 H CB -2.255 27.423 29.762 -0.140 0.000 1.526 245 H HN 0.242 nan 8.280 nan 0.000 0.415 246 V N 2.749 122.580 119.914 -0.138 0.000 2.326 246 V HA 0.254 4.372 4.120 -0.002 0.000 0.281 246 V C -1.542 174.413 176.094 -0.231 0.000 1.015 246 V CA -1.151 61.006 62.300 -0.238 0.000 0.823 246 V CB 2.033 33.827 31.823 -0.049 0.000 1.009 246 V HN 0.155 nan 8.190 nan 0.000 0.436 247 P HA 0.333 nan 4.420 nan 0.000 0.282 247 P C -0.202 177.016 177.300 -0.136 0.000 1.287 247 P CA -0.603 62.371 63.100 -0.210 0.000 0.792 247 P CB 0.867 32.432 31.700 -0.225 0.000 1.163 248 c N -0.699 117.880 118.600 -0.035 0.000 2.649 248 c HA 0.316 4.885 4.570 -0.002 0.000 0.377 248 c C 0.827 174.904 174.090 -0.021 0.000 1.321 248 c CA -0.100 56.221 56.329 -0.012 0.000 2.368 248 c CB -1.359 41.214 42.510 0.106 0.000 2.597 248 c HN 0.345 nan 8.230 nan 0.000 0.678 249 F N 0.685 120.689 119.950 0.090 0.000 2.389 249 F HA 0.319 4.845 4.527 -0.002 0.000 0.337 249 F C 0.685 176.472 175.800 -0.021 0.000 1.112 249 F CA 0.015 58.021 58.000 0.011 0.000 1.192 249 F CB 0.497 39.455 39.000 -0.070 0.000 1.185 249 F HN 0.519 nan 8.300 nan 0.000 0.552 250 Q N 2.540 122.455 119.800 0.192 0.000 2.430 250 Q HA 0.637 4.976 4.340 -0.002 0.000 0.245 250 Q C -1.129 174.886 176.000 0.025 0.000 1.021 250 Q CA -0.470 55.381 55.803 0.080 0.000 0.867 250 Q CB 0.675 29.453 28.738 0.067 0.000 1.210 250 Q HN 0.799 nan 8.270 nan 0.000 0.487 251 A N 2.045 124.853 122.820 -0.021 0.000 2.387 251 A HA 0.704 5.023 4.320 -0.002 0.000 0.303 251 A C 0.725 178.303 177.584 -0.011 0.000 1.145 251 A CA -0.291 51.723 52.037 -0.038 0.000 0.801 251 A CB 1.097 20.015 19.000 -0.137 0.000 1.342 251 A HN 0.787 nan 8.150 nan 0.000 0.440 252 G N -0.559 108.252 108.800 0.019 0.000 3.028 252 G HA2 0.308 4.267 3.960 -0.002 0.000 0.205 252 G HA3 0.308 4.267 3.960 -0.002 0.000 0.205 252 G C -0.163 174.761 174.900 0.041 0.000 1.182 252 G CA 1.107 46.227 45.100 0.033 0.000 0.860 252 G HN 0.723 nan 8.290 nan 0.000 0.507 253 D N -2.206 118.205 120.400 0.018 0.000 2.819 253 D HA 0.422 5.061 4.640 -0.002 0.000 0.232 253 D C 1.265 177.493 176.300 -0.121 0.000 1.160 253 D CA -0.574 53.395 54.000 -0.051 0.000 0.858 253 D CB 1.472 42.275 40.800 0.005 0.000 1.610 253 D HN -0.128 nan 8.370 nan 0.000 0.481 254 S N 1.655 117.236 115.700 -0.198 0.000 2.382 254 S HA -0.112 4.356 4.470 -0.002 0.000 0.228 254 S C 1.379 175.890 174.600 -0.149 0.000 1.027 254 S CA 0.921 59.030 58.200 -0.151 0.000 0.991 254 S CB -0.105 63.015 63.200 -0.134 0.000 0.823 254 S HN 0.496 nan 8.310 nan 0.000 0.469 255 R N 1.168 121.498 120.500 -0.285 0.000 2.363 255 R HA 0.363 4.702 4.340 -0.002 0.000 0.236 255 R C 1.749 178.015 176.300 -0.056 0.000 0.966 255 R CA 0.351 56.341 56.100 -0.183 0.000 1.100 255 R CB -0.226 29.825 30.300 -0.415 0.000 1.125 255 R HN 0.353 nan 8.270 nan 0.000 0.514 256 A N 0.902 123.642 122.820 -0.133 0.000 2.067 256 A HA -0.105 4.214 4.320 -0.002 0.000 0.219 256 A C 1.702 179.182 177.584 -0.174 0.000 1.158 256 A CA 1.422 53.254 52.037 -0.341 0.000 0.661 256 A CB 0.031 18.549 19.000 -0.804 0.000 0.801 256 A HN 0.335 nan 8.150 nan 0.000 0.452 257 S N -1.328 114.343 115.700 -0.048 0.000 2.663 257 S HA 0.168 4.637 4.470 -0.002 0.000 0.243 257 S C 1.109 175.604 174.600 -0.175 0.000 1.009 257 S CA 0.229 58.444 58.200 0.024 0.000 0.988 257 S CB 0.301 63.603 63.200 0.171 0.000 0.896 257 S HN 0.522 nan 8.310 nan 0.000 0.502 258 E N 1.933 121.897 120.200 -0.393 0.000 2.267 258 E HA -0.128 4.221 4.350 -0.002 0.000 0.197 258 E C 0.603 176.972 176.600 -0.384 0.000 0.998 258 E CA 0.905 56.787 56.400 -0.862 0.000 0.830 258 E CB 0.168 29.569 29.700 -0.499 0.000 0.751 258 E HN 0.798 nan 8.360 nan 0.000 0.491 259 Q N -0.929 118.795 119.800 -0.127 0.000 2.511 259 Q HA 0.196 4.535 4.340 -0.002 0.000 0.289 259 Q C 0.901 176.895 176.000 -0.010 0.000 1.021 259 Q CA -0.504 55.305 55.803 0.009 0.000 0.785 259 Q CB 1.147 29.925 28.738 0.067 0.000 1.472 259 Q HN 0.022 nan 8.270 nan 0.000 0.411 260 I N 1.218 121.774 120.570 -0.024 0.000 2.202 260 I HA -0.261 3.907 4.170 -0.002 0.000 0.242 260 I C 1.970 178.088 176.117 0.001 0.000 1.091 260 I CA 1.132 62.419 61.300 -0.022 0.000 1.368 260 I CB -0.093 37.864 38.000 -0.072 0.000 1.058 260 I HN 0.602 nan 8.210 nan 0.000 0.410 261 L N -0.008 121.212 121.223 -0.006 0.000 2.217 261 L HA -0.168 4.171 4.340 -0.002 0.000 0.211 261 L C 2.491 179.369 176.870 0.013 0.000 1.107 261 L CA 0.505 55.347 54.840 0.004 0.000 0.783 261 L CB -0.375 41.683 42.059 -0.001 0.000 0.919 261 L HN 0.276 nan 8.230 nan 0.000 0.442 262 L N 0.374 121.599 121.223 0.003 0.000 2.027 262 L HA -0.074 4.265 4.340 -0.002 0.000 0.206 262 L C 2.630 179.557 176.870 0.095 0.000 1.074 262 L CA 1.946 56.792 54.840 0.010 0.000 0.745 262 L CB -0.628 41.410 42.059 -0.035 0.000 0.898 262 L HN 0.114 nan 8.230 nan 0.000 0.433 263 A N -1.567 121.290 122.820 0.062 0.000 2.019 263 A HA -0.165 4.154 4.320 -0.002 0.000 0.219 263 A C 2.196 179.786 177.584 0.010 0.000 1.164 263 A CA 2.056 54.123 52.037 0.050 0.000 0.644 263 A CB -1.123 17.961 19.000 0.140 0.000 0.805 263 A HN 0.537 nan 8.150 nan 0.000 0.449 264 T N -0.202 114.370 114.554 0.030 0.000 2.708 264 T HA -0.114 4.235 4.350 -0.002 0.000 0.266 264 T C 1.814 176.541 174.700 0.046 0.000 1.037 264 T CA 1.737 63.851 62.100 0.024 0.000 1.146 264 T CB -0.431 68.457 68.868 0.033 0.000 0.865 264 T HN 0.207 nan 8.240 nan 0.000 0.435 265 V N 0.925 120.891 119.914 0.087 0.000 2.667 265 V HA -0.115 4.004 4.120 -0.002 0.000 0.252 265 V C 2.342 178.458 176.094 0.037 0.000 1.065 265 V CA 1.164 63.544 62.300 0.133 0.000 1.083 265 V CB -0.770 31.180 31.823 0.212 0.000 0.692 265 V HN 0.572 nan 8.190 nan 0.000 0.468 266 H N 0.915 119.956 119.070 -0.049 0.000 2.353 266 H HA -0.130 4.424 4.556 -0.002 0.000 0.300 266 H C 2.489 177.728 175.328 -0.149 0.000 1.090 266 H CA 2.196 58.182 56.048 -0.104 0.000 1.327 266 H CB -0.118 29.570 29.762 -0.124 0.000 1.383 266 H HN 0.432 nan 8.280 nan 0.000 0.508 267 T N 1.404 115.925 114.554 -0.054 0.000 2.746 267 T HA -0.091 4.257 4.350 -0.002 0.000 0.267 267 T C 2.448 177.079 174.700 -0.115 0.000 1.039 267 T CA 0.710 62.729 62.100 -0.135 0.000 1.142 267 T CB -0.321 68.453 68.868 -0.157 0.000 0.866 267 T HN 0.184 nan 8.240 nan 0.000 0.444 268 L N 0.466 121.635 121.223 -0.089 0.000 2.012 268 L HA -0.064 4.275 4.340 -0.002 0.000 0.210 268 L C 2.514 179.284 176.870 -0.168 0.000 1.073 268 L CA 1.236 55.998 54.840 -0.131 0.000 0.748 268 L CB -0.647 41.343 42.059 -0.114 0.000 0.891 268 L HN 0.256 nan 8.230 nan 0.000 0.431 269 L N -0.940 120.202 121.223 -0.134 0.000 2.093 269 L HA -0.207 4.132 4.340 -0.002 0.000 0.208 269 L C 2.555 179.324 176.870 -0.170 0.000 1.085 269 L CA 0.649 55.391 54.840 -0.162 0.000 0.755 269 L CB -0.433 41.539 42.059 -0.145 0.000 0.904 269 L HN 0.263 nan 8.230 nan 0.000 0.435 270 L N 0.057 121.189 121.223 -0.152 0.000 2.027 270 L HA -0.165 4.173 4.340 -0.002 0.000 0.206 270 L C 2.764 179.588 176.870 -0.076 0.000 1.074 270 L CA 1.644 56.405 54.840 -0.130 0.000 0.745 270 L CB -0.456 41.528 42.059 -0.124 0.000 0.898 270 L HN 0.062 nan 8.230 nan 0.000 0.433 271 R N -0.570 119.865 120.500 -0.108 0.000 2.080 271 R HA -0.234 4.104 4.340 -0.002 0.000 0.236 271 R C 2.209 178.442 176.300 -0.112 0.000 1.137 271 R CA 1.536 57.573 56.100 -0.105 0.000 0.943 271 R CB -0.505 29.713 30.300 -0.136 0.000 0.846 271 R HN 0.350 nan 8.270 nan 0.000 0.431 272 E N 0.272 120.374 120.200 -0.164 0.000 2.136 272 E HA -0.286 4.063 4.350 -0.002 0.000 0.202 272 E C 1.703 178.220 176.600 -0.137 0.000 1.019 272 E CA 2.116 58.390 56.400 -0.211 0.000 0.819 272 E CB -0.308 29.192 29.700 -0.334 0.000 0.739 272 E HN 0.453 nan 8.360 nan 0.000 0.458 273 H N -0.068 118.920 119.070 -0.136 0.000 2.267 273 H HA -0.078 4.477 4.556 -0.002 0.000 0.297 273 H C 1.820 177.117 175.328 -0.051 0.000 1.080 273 H CA 2.364 58.378 56.048 -0.057 0.000 1.278 273 H CB -0.375 29.404 29.762 0.027 0.000 1.365 273 H HN 0.149 nan 8.280 nan 0.000 0.489 274 N N 0.443 119.093 118.700 -0.083 0.000 2.094 274 N HA -0.194 4.545 4.740 -0.002 0.000 0.191 274 N C 2.108 177.522 175.510 -0.161 0.000 1.023 274 N CA 1.393 54.374 53.050 -0.116 0.000 0.857 274 N CB -0.484 38.000 38.487 -0.005 0.000 1.013 274 N HN 0.435 nan 8.380 nan 0.000 0.426 275 R N 0.861 121.270 120.500 -0.150 0.000 2.097 275 R HA -0.078 4.261 4.340 -0.002 0.000 0.236 275 R C 2.219 178.409 176.300 -0.183 0.000 1.135 275 R CA 1.254 57.262 56.100 -0.152 0.000 0.934 275 R CB -0.399 29.804 30.300 -0.160 0.000 0.846 275 R HN 0.180 nan 8.270 nan 0.000 0.431 276 L N 0.240 121.324 121.223 -0.232 0.000 2.079 276 L HA -0.180 4.158 4.340 -0.002 0.000 0.210 276 L C 2.743 179.474 176.870 -0.232 0.000 1.081 276 L CA 1.385 56.072 54.840 -0.255 0.000 0.752 276 L CB -0.589 41.299 42.059 -0.286 0.000 0.896 276 L HN 0.365 nan 8.230 nan 0.000 0.433 277 A N 0.182 122.832 122.820 -0.282 0.000 1.873 277 A HA -0.171 4.148 4.320 -0.002 0.000 0.215 277 A C 2.424 179.944 177.584 -0.106 0.000 1.186 277 A CA 1.344 53.258 52.037 -0.204 0.000 0.616 277 A CB -0.420 18.418 19.000 -0.271 0.000 0.823 277 A HN 0.307 nan 8.150 nan 0.000 0.442 278 R N -0.672 119.764 120.500 -0.108 0.000 2.081 278 R HA -0.089 4.249 4.340 -0.002 0.000 0.235 278 R C 2.018 178.270 176.300 -0.081 0.000 1.131 278 R CA 1.314 57.370 56.100 -0.073 0.000 0.960 278 R CB -0.212 30.049 30.300 -0.066 0.000 0.856 278 R HN 0.430 nan 8.270 nan 0.000 0.436 279 E N 0.749 120.885 120.200 -0.107 0.000 2.112 279 E HA -0.065 4.283 4.350 -0.002 0.000 0.190 279 E C 2.026 178.555 176.600 -0.118 0.000 0.979 279 E CA 0.810 57.144 56.400 -0.111 0.000 0.814 279 E CB 0.043 29.665 29.700 -0.130 0.000 0.762 279 E HN 0.320 nan 8.360 nan 0.000 0.460 280 L N 0.513 121.666 121.223 -0.116 0.000 2.291 280 L HA -0.082 4.257 4.340 -0.002 0.000 0.214 280 L C 2.477 179.265 176.870 -0.137 0.000 1.120 280 L CA 0.757 55.533 54.840 -0.107 0.000 0.799 280 L CB -0.144 41.920 42.059 0.009 0.000 0.925 280 L HN 0.027 nan 8.230 nan 0.000 0.446 281 K N 0.417 120.771 120.400 -0.078 0.000 2.031 281 K HA -0.129 4.189 4.320 -0.002 0.000 0.205 281 K C 2.253 178.776 176.600 -0.128 0.000 1.049 281 K CA 0.951 57.190 56.287 -0.081 0.000 0.939 281 K CB 0.069 32.555 32.500 -0.023 0.000 0.717 281 K HN 0.091 nan 8.250 nan 0.000 0.438 282 R N 0.428 120.867 120.500 -0.102 0.000 2.094 282 R HA -0.161 4.178 4.340 -0.002 0.000 0.239 282 R C 2.392 178.623 176.300 -0.115 0.000 1.137 282 R CA 1.997 58.043 56.100 -0.089 0.000 0.943 282 R CB -0.604 29.653 30.300 -0.071 0.000 0.850 282 R HN 0.236 nan 8.270 nan 0.000 0.433 283 L N 0.483 121.617 121.223 -0.147 0.000 2.201 283 L HA -0.097 4.242 4.340 -0.002 0.000 0.212 283 L C 0.154 176.869 176.870 -0.259 0.000 1.105 283 L CA 0.751 55.494 54.840 -0.160 0.000 0.775 283 L CB -0.047 41.930 42.059 -0.136 0.000 0.913 283 L HN 0.187 nan 8.230 nan 0.000 0.440 284 N N -1.040 117.398 118.700 -0.437 0.000 2.790 284 N HA 0.185 4.924 4.740 -0.002 0.000 0.256 284 N C -2.098 173.057 175.510 -0.591 0.000 1.409 284 N CA -1.062 51.533 53.050 -0.759 0.000 0.799 284 N CB 1.142 38.567 38.487 -1.769 0.000 1.170 284 N HN -0.126 nan 8.380 nan 0.000 0.507 285 P HA -0.168 nan 4.420 nan 0.000 0.216 285 P C 1.436 178.717 177.300 -0.033 0.000 1.150 285 P CA 1.379 64.430 63.100 -0.081 0.000 0.837 285 P CB 0.039 31.750 31.700 0.018 0.000 0.786 286 H N -3.163 115.928 119.070 0.034 0.000 2.456 286 H HA -0.095 4.460 4.556 -0.002 0.000 0.296 286 H C 0.332 175.815 175.328 0.257 0.000 1.079 286 H CA 0.291 56.413 56.048 0.123 0.000 1.322 286 H CB -1.412 28.424 29.762 0.122 0.000 1.388 286 H HN 0.093 nan 8.280 nan 0.000 0.538 287 W N 4.215 125.304 121.300 -0.352 0.000 2.293 287 W HA 0.039 4.698 4.660 -0.002 0.000 0.342 287 W C 0.481 176.973 176.519 -0.044 0.000 1.274 287 W CA -0.028 57.222 57.345 -0.158 0.000 1.290 287 W CB 0.144 29.491 29.460 -0.190 0.000 1.176 287 W HN 0.377 nan 8.180 nan 0.000 0.570 288 D N -0.048 120.445 120.400 0.155 0.000 2.326 288 D HA 0.376 5.015 4.640 -0.002 0.000 0.248 288 D C 1.359 177.690 176.300 0.050 0.000 1.001 288 D CA -0.275 53.777 54.000 0.086 0.000 0.961 288 D CB 0.353 41.189 40.800 0.059 0.000 1.183 288 D HN 0.433 nan 8.370 nan 0.000 0.502 289 G N 0.375 109.201 108.800 0.044 0.000 2.624 289 G HA2 -0.447 3.512 3.960 -0.002 0.000 0.221 289 G HA3 -0.447 3.512 3.960 -0.002 0.000 0.221 289 G C 1.231 176.146 174.900 0.025 0.000 1.169 289 G CA 1.732 46.854 45.100 0.038 0.000 0.771 289 G HN 0.677 nan 8.290 nan 0.000 0.598 290 E N 0.047 120.239 120.200 -0.014 0.000 2.058 290 E HA -0.126 4.223 4.350 -0.002 0.000 0.194 290 E C 2.456 179.013 176.600 -0.071 0.000 0.997 290 E CA 1.585 57.961 56.400 -0.039 0.000 0.801 290 E CB -0.454 29.211 29.700 -0.057 0.000 0.746 290 E HN 0.481 nan 8.360 nan 0.000 0.450 291 M N -0.382 119.133 119.600 -0.142 0.000 2.296 291 M HA -0.066 4.413 4.480 -0.002 0.000 0.265 291 M C 1.693 177.848 176.300 -0.241 0.000 1.064 291 M CA 0.983 56.101 55.300 -0.303 0.000 1.109 291 M CB 0.038 32.326 32.600 -0.520 0.000 1.396 291 M HN 0.207 nan 8.290 nan 0.000 0.430 292 L N -1.036 120.164 121.223 -0.038 0.000 1.976 292 L HA -0.239 4.100 4.340 -0.002 0.000 0.209 292 L C 2.505 179.397 176.870 0.036 0.000 1.071 292 L CA 1.727 56.613 54.840 0.077 0.000 0.746 292 L CB -1.227 40.903 42.059 0.117 0.000 0.890 292 L HN 0.326 nan 8.230 nan 0.000 0.432 293 Y N 0.734 121.014 120.300 -0.033 0.000 2.102 293 Y HA -0.344 4.204 4.550 -0.002 0.000 0.280 293 Y C 2.792 178.630 175.900 -0.103 0.000 1.178 293 Y CA 1.773 59.901 58.100 0.048 0.000 1.146 293 Y CB -0.158 38.303 38.460 0.003 0.000 0.968 293 Y HN 0.195 nan 8.280 nan 0.000 0.504 294 Q N 0.289 119.913 119.800 -0.295 0.000 2.016 294 Q HA -0.167 4.171 4.340 -0.002 0.000 0.200 294 Q C 2.179 177.861 176.000 -0.530 0.000 0.978 294 Q CA 1.657 57.046 55.803 -0.690 0.000 0.833 294 Q CB -0.411 27.595 28.738 -1.221 0.000 0.895 294 Q HN 0.604 nan 8.270 nan 0.000 0.427 295 E N 0.624 120.660 120.200 -0.274 0.000 2.110 295 E HA -0.100 4.249 4.350 -0.002 0.000 0.193 295 E C 1.879 178.496 176.600 0.028 0.000 0.988 295 E CA 0.994 57.432 56.400 0.063 0.000 0.804 295 E CB -0.069 29.764 29.700 0.223 0.000 0.745 295 E HN 0.291 nan 8.360 nan 0.000 0.458 296 A N 1.598 124.365 122.820 -0.090 0.000 1.855 296 A HA -0.204 4.115 4.320 -0.002 0.000 0.215 296 A C 2.225 179.774 177.584 -0.058 0.000 1.191 296 A CA 1.685 53.646 52.037 -0.125 0.000 0.613 296 A CB -0.562 18.286 19.000 -0.252 0.000 0.829 296 A HN 0.161 nan 8.150 nan 0.000 0.442 297 R N -0.067 120.307 120.500 -0.210 0.000 2.136 297 R HA -0.258 4.081 4.340 -0.002 0.000 0.242 297 R C 2.275 178.485 176.300 -0.150 0.000 1.131 297 R CA 2.374 58.188 56.100 -0.476 0.000 0.937 297 R CB -0.376 29.240 30.300 -1.139 0.000 0.863 297 R HN 0.514 nan 8.270 nan 0.000 0.435 298 K N 0.061 120.429 120.400 -0.054 0.000 2.074 298 K HA -0.169 4.150 4.320 -0.002 0.000 0.209 298 K C 2.044 178.865 176.600 0.369 0.000 1.048 298 K CA 2.079 58.484 56.287 0.196 0.000 0.926 298 K CB -0.143 32.551 32.500 0.322 0.000 0.713 298 K HN 0.311 nan 8.250 nan 0.000 0.444 299 I N 0.575 121.285 120.570 0.233 0.000 2.439 299 I HA -0.230 3.938 4.170 -0.002 0.000 0.251 299 I C 2.181 178.343 176.117 0.075 0.000 1.139 299 I CA 0.355 61.704 61.300 0.081 0.000 1.438 299 I CB -0.138 37.738 38.000 -0.207 0.000 1.085 299 I HN 0.173 nan 8.210 nan 0.000 0.427 300 L N 1.123 122.404 121.223 0.096 0.000 2.072 300 L HA 0.021 4.359 4.340 -0.002 0.000 0.205 300 L C 2.312 179.340 176.870 0.263 0.000 1.079 300 L CA 1.977 56.903 54.840 0.143 0.000 0.752 300 L CB -1.107 41.051 42.059 0.164 0.000 0.906 300 L HN 0.159 nan 8.230 nan 0.000 0.436 301 G N -1.089 107.852 108.800 0.234 0.000 2.408 301 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.217 301 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.217 301 G C 1.591 176.603 174.900 0.187 0.000 1.150 301 G CA 0.681 45.920 45.100 0.231 0.000 0.776 301 G HN 0.601 nan 8.290 nan 0.000 0.542 302 A N 0.513 123.438 122.820 0.174 0.000 1.933 302 A HA 0.071 4.390 4.320 -0.002 0.000 0.218 302 A C 2.120 179.602 177.584 -0.171 0.000 1.175 302 A CA 1.499 53.535 52.037 -0.002 0.000 0.628 302 A CB -0.545 18.484 19.000 0.049 0.000 0.814 302 A HN 0.439 nan 8.150 nan 0.000 0.444 303 F N 0.861 120.728 119.950 -0.139 0.000 2.069 303 F HA -0.227 4.299 4.527 -0.002 0.000 0.298 303 F C 1.968 177.765 175.800 -0.005 0.000 1.113 303 F CA 2.092 60.022 58.000 -0.117 0.000 1.214 303 F CB -0.276 38.692 39.000 -0.053 0.000 0.978 303 F HN 0.198 nan 8.300 nan 0.000 0.474 304 I N 0.380 121.138 120.570 0.313 0.000 2.099 304 I HA -0.370 3.799 4.170 -0.002 0.000 0.239 304 I C 2.549 178.802 176.117 0.226 0.000 1.066 304 I CA 1.801 63.344 61.300 0.404 0.000 1.324 304 I CB -0.912 37.361 38.000 0.455 0.000 1.037 304 I HN 0.287 nan 8.210 nan 0.000 0.401 305 Q N 0.491 120.350 119.800 0.098 0.000 2.096 305 Q HA -0.261 4.077 4.340 -0.002 0.000 0.208 305 Q C 2.329 178.275 176.000 -0.090 0.000 0.993 305 Q CA 2.004 57.809 55.803 0.003 0.000 0.862 305 Q CB -0.292 28.215 28.738 -0.386 0.000 0.915 305 Q HN 0.553 nan 8.270 nan 0.000 0.416 306 I N 0.206 120.509 120.570 -0.445 0.000 2.113 306 I HA -0.305 3.863 4.170 -0.002 0.000 0.238 306 I C 2.245 178.251 176.117 -0.184 0.000 1.070 306 I CA 1.201 62.200 61.300 -0.502 0.000 1.332 306 I CB -0.226 37.286 38.000 -0.813 0.000 1.044 306 I HN 0.191 nan 8.210 nan 0.000 0.402 307 I N 0.127 120.530 120.570 -0.279 0.000 2.208 307 I HA -0.291 3.878 4.170 -0.002 0.000 0.245 307 I C 2.451 178.532 176.117 -0.059 0.000 1.097 307 I CA 1.550 62.688 61.300 -0.271 0.000 1.363 307 I CB -0.625 37.042 38.000 -0.554 0.000 1.051 307 I HN 0.274 nan 8.210 nan 0.000 0.413 308 T N 0.428 115.138 114.554 0.260 0.000 2.833 308 T HA -0.132 4.217 4.350 -0.002 0.000 0.269 308 T C 1.516 176.374 174.700 0.264 0.000 1.054 308 T CA 1.535 63.905 62.100 0.451 0.000 1.135 308 T CB -0.217 69.031 68.868 0.632 0.000 0.869 308 T HN 0.168 nan 8.240 nan 0.000 0.466 309 F N 0.222 120.301 119.950 0.216 0.000 2.505 309 F HA 0.352 4.878 4.527 -0.002 0.000 0.289 309 F C 2.461 178.340 175.800 0.133 0.000 1.101 309 F CA 0.052 58.193 58.000 0.235 0.000 1.446 309 F CB -0.011 39.270 39.000 0.469 0.000 1.123 309 F HN -0.109 nan 8.300 nan 0.000 0.564 310 R N 0.177 120.818 120.500 0.235 0.000 2.066 310 R HA -0.058 4.281 4.340 -0.002 0.000 0.224 310 R C 1.043 177.329 176.300 -0.024 0.000 1.122 310 R CA 1.682 57.849 56.100 0.111 0.000 0.974 310 R CB -0.044 30.302 30.300 0.075 0.000 0.871 310 R HN 0.107 nan 8.270 nan 0.000 0.435 311 D N -1.298 119.019 120.400 -0.139 0.000 2.380 311 D HA -0.050 4.589 4.640 -0.002 0.000 0.212 311 D C 1.090 177.072 176.300 -0.531 0.000 1.021 311 D CA 0.521 54.322 54.000 -0.332 0.000 0.884 311 D CB 0.080 40.633 40.800 -0.412 0.000 1.001 311 D HN 0.196 nan 8.370 nan 0.000 0.506 312 Y N 1.325 121.303 120.300 -0.536 0.000 2.222 312 Y HA 0.154 4.703 4.550 -0.002 0.000 0.290 312 Y C 2.082 177.901 175.900 -0.135 0.000 1.123 312 Y CA 0.751 58.631 58.100 -0.367 0.000 1.120 312 Y CB -0.399 37.982 38.460 -0.132 0.000 1.060 312 Y HN -0.245 nan 8.280 nan 0.000 0.508 313 L N 0.660 121.714 121.223 -0.282 0.000 2.042 313 L HA -0.153 4.185 4.340 -0.002 0.000 0.210 313 L C -0.715 175.979 176.870 -0.293 0.000 1.076 313 L CA 1.386 55.970 54.840 -0.426 0.000 0.749 313 L CB -1.635 40.115 42.059 -0.515 0.000 0.893 313 L HN 0.238 nan 8.230 nan 0.000 0.432 314 P HA -0.144 nan 4.420 nan 0.000 0.222 314 P C 1.420 178.628 177.300 -0.152 0.000 1.147 314 P CA 1.282 64.307 63.100 -0.126 0.000 0.790 314 P CB -0.102 31.551 31.700 -0.079 0.000 0.780 315 I N -5.959 114.487 120.570 -0.208 0.000 3.883 315 I HA 0.106 4.275 4.170 -0.002 0.000 0.326 315 I C 1.089 177.088 176.117 -0.198 0.000 1.283 315 I CA 0.191 61.356 61.300 -0.224 0.000 1.161 315 I CB -0.056 37.773 38.000 -0.285 0.000 1.012 315 I HN -0.270 nan 8.210 nan 0.000 0.421 316 V N 0.782 120.573 119.914 -0.206 0.000 2.690 316 V HA 0.080 4.199 4.120 -0.002 0.000 0.240 316 V C 2.185 178.171 176.094 -0.180 0.000 1.078 316 V CA 0.826 63.032 62.300 -0.158 0.000 1.102 316 V CB 0.028 31.655 31.823 -0.327 0.000 0.800 316 V HN 0.367 nan 8.190 nan 0.000 0.479 317 L N 0.105 121.222 121.223 -0.176 0.000 2.240 317 L HA 0.294 4.633 4.340 -0.002 0.000 0.211 317 L C 1.789 178.626 176.870 -0.054 0.000 1.106 317 L CA 1.046 55.825 54.840 -0.101 0.000 0.793 317 L CB -0.926 41.102 42.059 -0.051 0.000 0.927 317 L HN 0.571 nan 8.230 nan 0.000 0.446 318 G N 0.889 109.645 108.800 -0.073 0.000 2.561 318 G HA2 -0.420 3.538 3.960 -0.002 0.000 0.289 318 G HA3 -0.420 3.538 3.960 -0.002 0.000 0.289 318 G C 0.892 175.775 174.900 -0.028 0.000 1.169 318 G CA 0.614 45.680 45.100 -0.056 0.000 0.980 318 G HN 0.385 nan 8.290 nan 0.000 0.550 319 S N 0.405 116.095 115.700 -0.017 0.000 2.555 319 S HA 0.131 4.600 4.470 -0.002 0.000 0.230 319 S C 1.419 176.025 174.600 0.008 0.000 0.978 319 S CA 1.696 59.890 58.200 -0.010 0.000 0.934 319 S CB 0.211 63.403 63.200 -0.014 0.000 0.766 319 S HN 0.586 nan 8.310 nan 0.000 0.533 320 E N 0.498 120.724 120.200 0.044 0.000 2.479 320 E HA 0.162 4.510 4.350 -0.002 0.000 0.193 320 E C 1.314 178.013 176.600 0.165 0.000 1.049 320 E CA -0.037 56.435 56.400 0.119 0.000 0.870 320 E CB -0.106 29.728 29.700 0.223 0.000 0.944 320 E HN 0.538 nan 8.360 nan 0.000 0.492 321 M N 1.759 121.408 119.600 0.082 0.000 2.065 321 M HA -0.251 4.227 4.480 -0.002 0.000 0.259 321 M C 2.243 178.601 176.300 0.097 0.000 1.069 321 M CA 1.970 57.319 55.300 0.080 0.000 1.110 321 M CB -0.251 32.364 32.600 0.024 0.000 1.328 321 M HN 0.053 nan 8.290 nan 0.000 0.405 322 Q N -0.945 118.880 119.800 0.043 0.000 2.187 322 Q HA -0.168 4.171 4.340 -0.002 0.000 0.199 322 Q C 2.098 178.076 176.000 -0.037 0.000 0.957 322 Q CA 1.389 57.204 55.803 0.020 0.000 0.857 322 Q CB -0.728 28.008 28.738 -0.003 0.000 0.929 322 Q HN 0.602 nan 8.270 nan 0.000 0.453 323 K N -0.165 120.162 120.400 -0.121 0.000 2.211 323 K HA -0.149 4.170 4.320 -0.002 0.000 0.204 323 K C 0.784 177.075 176.600 -0.515 0.000 1.047 323 K CA 1.632 57.700 56.287 -0.366 0.000 0.935 323 K CB 0.007 32.209 32.500 -0.497 0.000 0.728 323 K HN 0.433 nan 8.250 nan 0.000 0.452 324 W N -0.400 120.907 121.300 0.012 0.000 2.893 324 W HA 0.300 4.959 4.660 -0.002 0.000 0.253 324 W C 0.250 176.799 176.519 0.050 0.000 1.171 324 W CA -0.522 56.838 57.345 0.024 0.000 1.480 324 W CB 0.749 30.233 29.460 0.039 0.000 0.963 324 W HN -0.222 nan 8.180 nan 0.000 0.637 325 I N 3.146 123.876 120.570 0.267 0.000 2.557 325 I HA 0.202 4.370 4.170 -0.002 0.000 0.277 325 I C -1.979 174.227 176.117 0.148 0.000 1.106 325 I CA -1.944 59.489 61.300 0.221 0.000 1.180 325 I CB 0.317 38.474 38.000 0.262 0.000 1.392 325 I HN -0.435 nan 8.210 nan 0.000 0.506 326 P HA 0.249 nan 4.420 nan 0.000 0.275 326 P C -2.521 174.837 177.300 0.096 0.000 1.270 326 P CA -1.072 62.067 63.100 0.065 0.000 0.791 326 P CB -0.550 31.165 31.700 0.024 0.000 1.089 327 P HA 0.079 nan 4.420 nan 0.000 0.272 327 P C -0.556 176.817 177.300 0.122 0.000 1.223 327 P CA -0.034 63.133 63.100 0.113 0.000 0.784 327 P CB -0.066 31.682 31.700 0.080 0.000 0.923 328 Y N 2.158 122.459 120.300 0.001 0.000 2.677 328 Y HA -0.035 4.513 4.550 -0.002 0.000 0.335 328 Y C 1.130 177.004 175.900 -0.043 0.000 1.162 328 Y CA 0.656 58.725 58.100 -0.050 0.000 1.483 328 Y CB 0.163 38.590 38.460 -0.055 0.000 1.209 328 Y HN 0.295 nan 8.280 nan 0.000 0.528 329 Q N 4.801 124.361 119.800 -0.401 0.000 2.247 329 Q HA 0.293 4.632 4.340 -0.002 0.000 0.204 329 Q C 0.761 176.434 176.000 -0.546 0.000 0.872 329 Q CA 0.549 56.134 55.803 -0.364 0.000 0.951 329 Q CB 0.267 28.883 28.738 -0.203 0.000 1.099 329 Q HN 1.008 nan 8.270 nan 0.000 0.501 330 G N 1.262 109.363 108.800 -1.165 0.000 2.663 330 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.686 330 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.686 330 G C -1.155 173.478 174.900 -0.444 0.000 1.288 330 G CA -0.775 43.814 45.100 -0.851 0.000 0.836 330 G HN 0.231 nan 8.290 nan 0.000 0.584 331 Y N 2.037 122.207 120.300 -0.215 0.000 2.697 331 Y HA 0.427 4.976 4.550 -0.002 0.000 0.349 331 Y C 0.630 176.484 175.900 -0.077 0.000 1.120 331 Y CA -0.519 57.547 58.100 -0.057 0.000 1.468 331 Y CB 0.395 38.857 38.460 0.003 0.000 1.182 331 Y HN 0.598 nan 8.280 nan 0.000 0.525 332 N N 5.799 124.261 118.700 -0.396 0.000 2.462 332 N HA -0.027 4.711 4.740 -0.002 0.000 0.242 332 N C 0.527 175.659 175.510 -0.629 0.000 1.010 332 N CA -0.188 52.602 53.050 -0.433 0.000 0.939 332 N CB 0.310 38.666 38.487 -0.218 0.000 1.127 332 N HN 0.903 nan 8.380 nan 0.000 0.509 333 N N 2.114 120.348 118.700 -0.776 0.000 2.459 333 N HA -0.070 4.669 4.740 -0.002 0.000 0.181 333 N C 0.565 175.956 175.510 -0.198 0.000 1.046 333 N CA 0.663 53.361 53.050 -0.588 0.000 0.904 333 N CB -0.120 38.126 38.487 -0.402 0.000 0.964 333 N HN 0.197 nan 8.380 nan 0.000 0.444 334 S N -0.180 115.420 115.700 -0.166 0.000 2.561 334 S HA 0.121 4.589 4.470 -0.002 0.000 0.225 334 S C 0.386 174.960 174.600 -0.043 0.000 0.977 334 S CA -0.239 57.914 58.200 -0.078 0.000 0.926 334 S CB 0.004 63.158 63.200 -0.076 0.000 0.769 334 S HN 0.163 nan 8.310 nan 0.000 0.533 335 V N 3.421 123.305 119.914 -0.050 0.000 2.439 335 V HA 0.082 4.200 4.120 -0.002 0.000 0.271 335 V C 0.155 176.284 176.094 0.059 0.000 1.040 335 V CA -0.705 61.596 62.300 0.001 0.000 1.002 335 V CB 0.638 32.463 31.823 0.004 0.000 1.000 335 V HN 0.239 nan 8.190 nan 0.000 0.477 336 D N 8.509 128.945 120.400 0.062 0.000 2.349 336 D HA 0.117 4.756 4.640 -0.002 0.000 0.266 336 D C -1.194 175.166 176.300 0.102 0.000 1.293 336 D CA -1.436 52.618 54.000 0.090 0.000 0.926 336 D CB 1.293 42.149 40.800 0.094 0.000 1.090 336 D HN 0.305 nan 8.370 nan 0.000 0.502 337 P HA 0.035 nan 4.420 nan 0.000 0.251 337 P C 0.013 177.237 177.300 -0.126 0.000 1.223 337 P CA -0.103 63.023 63.100 0.044 0.000 0.796 337 P CB 0.322 32.142 31.700 0.200 0.000 1.068 338 R N 1.407 121.877 120.500 -0.050 0.000 2.538 338 R HA 0.144 4.482 4.340 -0.002 0.000 0.282 338 R C 0.839 177.098 176.300 -0.069 0.000 1.009 338 R CA -0.144 55.913 56.100 -0.071 0.000 1.063 338 R CB -0.056 30.249 30.300 0.008 0.000 0.945 338 R HN 0.240 nan 8.270 nan 0.000 0.414 339 I N 0.239 120.720 120.570 -0.149 0.000 2.441 339 I HA 0.220 4.388 4.170 -0.002 0.000 0.287 339 I C 0.572 176.582 176.117 -0.178 0.000 1.049 339 I CA -0.458 60.712 61.300 -0.216 0.000 1.381 339 I CB 1.557 39.352 38.000 -0.342 0.000 1.409 339 I HN 0.497 nan 8.210 nan 0.000 0.523 340 S N 4.131 119.642 115.700 -0.314 0.000 2.634 340 S HA 0.202 4.670 4.470 -0.002 0.000 0.261 340 S C 0.835 175.259 174.600 -0.294 0.000 1.271 340 S CA -0.471 57.446 58.200 -0.472 0.000 0.985 340 S CB 1.076 63.462 63.200 -1.357 0.000 0.968 340 S HN 0.829 nan 8.310 nan 0.000 0.568 341 N N 0.197 118.763 118.700 -0.224 0.000 2.080 341 N HA -0.119 4.620 4.740 -0.002 0.000 0.189 341 N C 1.870 177.373 175.510 -0.011 0.000 1.036 341 N CA 1.428 54.464 53.050 -0.024 0.000 0.846 341 N CB -1.055 37.493 38.487 0.101 0.000 1.015 341 N HN 0.520 nan 8.380 nan 0.000 0.423 342 V N 0.999 120.774 119.914 -0.232 0.000 2.439 342 V HA -0.252 3.867 4.120 -0.002 0.000 0.253 342 V C 2.092 178.070 176.094 -0.194 0.000 1.074 342 V CA 1.719 63.803 62.300 -0.359 0.000 1.076 342 V CB -0.724 30.442 31.823 -1.096 0.000 0.664 342 V HN 0.285 nan 8.190 nan 0.000 0.461 343 F N 1.912 121.631 119.950 -0.385 0.000 2.126 343 F HA -0.206 4.319 4.527 -0.002 0.000 0.299 343 F C 2.694 178.449 175.800 -0.075 0.000 1.096 343 F CA 2.416 60.280 58.000 -0.226 0.000 1.255 343 F CB -0.799 38.038 39.000 -0.272 0.000 0.997 343 F HN 0.398 nan 8.300 nan 0.000 0.479 344 T N -2.470 112.039 114.554 -0.075 0.000 3.077 344 T HA -0.161 4.187 4.350 -0.002 0.000 0.269 344 T C 1.460 175.826 174.700 -0.556 0.000 1.146 344 T CA 1.363 63.277 62.100 -0.311 0.000 1.091 344 T CB -0.892 67.729 68.868 -0.412 0.000 0.892 344 T HN 0.303 nan 8.240 nan 0.000 0.533 345 F N 0.289 120.161 119.950 -0.129 0.000 2.637 345 F HA 0.600 5.126 4.527 -0.002 0.000 0.284 345 F C 2.639 178.488 175.800 0.081 0.000 1.105 345 F CA -0.111 57.875 58.000 -0.024 0.000 1.356 345 F CB -0.386 38.589 39.000 -0.042 0.000 1.096 345 F HN 0.179 nan 8.300 nan 0.000 0.616 346 A N -0.012 122.877 122.820 0.115 0.000 1.930 346 A HA -0.172 4.147 4.320 -0.002 0.000 0.217 346 A C 1.919 179.636 177.584 0.221 0.000 1.175 346 A CA 1.185 53.278 52.037 0.092 0.000 0.627 346 A CB -1.023 17.945 19.000 -0.053 0.000 0.815 346 A HN 0.340 nan 8.150 nan 0.000 0.443 347 F N 1.042 120.877 119.950 -0.191 0.000 2.502 347 F HA 0.028 4.554 4.527 -0.002 0.000 0.298 347 F C 1.945 177.542 175.800 -0.338 0.000 1.111 347 F CA 0.367 58.237 58.000 -0.218 0.000 1.445 347 F CB -0.338 38.278 39.000 -0.640 0.000 1.081 347 F HN 0.208 nan 8.300 nan 0.000 0.558 348 R N 0.031 120.545 120.500 0.023 0.000 2.369 348 R HA -0.144 4.195 4.340 -0.002 0.000 0.200 348 R C 1.958 178.328 176.300 0.117 0.000 1.046 348 R CA 0.767 56.807 56.100 -0.101 0.000 1.057 348 R CB -1.052 29.372 30.300 0.206 0.000 0.888 348 R HN 0.440 nan 8.270 nan 0.000 0.474 349 F N -0.579 119.463 119.950 0.155 0.000 2.236 349 F HA -0.028 4.498 4.527 -0.002 0.000 0.302 349 F C 1.962 177.809 175.800 0.079 0.000 1.073 349 F CA 0.999 59.045 58.000 0.077 0.000 1.336 349 F CB -0.955 38.073 39.000 0.047 0.000 1.040 349 F HN -0.118 nan 8.300 nan 0.000 0.507 350 G N -0.252 108.078 108.800 -0.785 0.000 2.432 350 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.219 350 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.219 350 G C 1.186 176.005 174.900 -0.135 0.000 1.135 350 G CA 1.005 45.776 45.100 -0.548 0.000 0.767 350 G HN 0.619 nan 8.290 nan 0.000 0.550 351 H N -0.303 118.787 119.070 0.034 0.000 2.492 351 H HA 0.047 4.602 4.556 -0.002 0.000 0.296 351 H C 1.980 177.433 175.328 0.207 0.000 1.095 351 H CA 0.771 56.915 56.048 0.160 0.000 1.281 351 H CB -0.033 29.911 29.762 0.304 0.000 1.374 351 H HN 0.336 nan 8.280 nan 0.000 0.545 352 M N 0.233 120.006 119.600 0.289 0.000 2.571 352 M HA 0.047 4.526 4.480 -0.002 0.000 0.235 352 M C 0.308 176.726 176.300 0.196 0.000 1.216 352 M CA 0.652 56.090 55.300 0.230 0.000 0.979 352 M CB 0.540 33.231 32.600 0.151 0.000 1.616 352 M HN 0.288 nan 8.290 nan 0.000 0.469 353 E N -0.333 119.975 120.200 0.181 0.000 2.571 353 E HA 0.119 4.468 4.350 -0.002 0.000 0.222 353 E C -0.139 176.555 176.600 0.156 0.000 0.904 353 E CA -0.077 56.423 56.400 0.168 0.000 1.157 353 E CB 1.198 30.984 29.700 0.143 0.000 1.158 353 E HN 0.167 nan 8.360 nan 0.000 0.540 354 V N 4.704 124.717 119.914 0.166 0.000 2.446 354 V HA 0.139 4.257 4.120 -0.002 0.000 0.276 354 V C -2.022 174.180 176.094 0.180 0.000 1.030 354 V CA -1.152 61.247 62.300 0.164 0.000 1.033 354 V CB -0.184 31.754 31.823 0.191 0.000 0.993 354 V HN 0.037 nan 8.190 nan 0.000 0.477 355 P HA 0.289 nan 4.420 nan 0.000 0.283 355 P C 0.810 178.189 177.300 0.131 0.000 1.278 355 P CA -0.657 62.536 63.100 0.154 0.000 0.834 355 P CB 1.308 33.086 31.700 0.130 0.000 1.150 356 S N -0.925 114.852 115.700 0.128 0.000 2.419 356 S HA -0.038 4.431 4.470 -0.002 0.000 0.233 356 S C 0.976 175.611 174.600 0.059 0.000 1.016 356 S CA 1.245 59.505 58.200 0.101 0.000 0.974 356 S CB -1.345 61.913 63.200 0.097 0.000 0.786 356 S HN 0.772 nan 8.310 nan 0.000 0.492 357 T N -1.689 112.894 114.554 0.048 0.000 2.926 357 T HA 0.752 5.101 4.350 -0.002 0.000 0.289 357 T C -0.954 173.749 174.700 0.004 0.000 1.054 357 T CA -0.863 61.245 62.100 0.013 0.000 1.015 357 T CB 1.922 70.803 68.868 0.021 0.000 1.167 357 T HN 0.033 nan 8.240 nan 0.000 0.526 358 V N 1.463 121.364 119.914 -0.022 0.000 2.569 358 V HA 0.580 4.699 4.120 -0.002 0.000 0.301 358 V C -0.249 175.835 176.094 -0.015 0.000 1.044 358 V CA -0.689 61.599 62.300 -0.021 0.000 0.874 358 V CB 2.005 33.797 31.823 -0.051 0.000 1.002 358 V HN 1.131 nan 8.190 nan 0.000 0.424 359 S N 4.472 120.175 115.700 0.004 0.000 2.651 359 S HA 0.696 5.165 4.470 -0.002 0.000 0.291 359 S C -0.419 174.183 174.600 0.004 0.000 1.141 359 S CA -0.839 57.370 58.200 0.014 0.000 1.027 359 S CB 1.277 64.494 63.200 0.028 0.000 1.043 359 S HN 0.659 nan 8.310 nan 0.000 0.530 360 R N 1.656 122.173 120.500 0.029 0.000 2.451 360 R HA 0.479 4.817 4.340 -0.002 0.000 0.307 360 R C -1.306 175.016 176.300 0.037 0.000 0.965 360 R CA -0.447 55.655 56.100 0.004 0.000 0.865 360 R CB 0.942 31.277 30.300 0.058 0.000 1.174 360 R HN 0.444 nan 8.270 nan 0.000 0.455 361 L N 2.357 123.526 121.223 -0.090 0.000 2.334 361 L HA 0.375 4.714 4.340 -0.002 0.000 0.275 361 L C 0.580 177.321 176.870 -0.214 0.000 1.036 361 L CA -0.969 53.805 54.840 -0.111 0.000 0.807 361 L CB 1.037 42.971 42.059 -0.208 0.000 1.231 361 L HN 0.615 nan 8.230 nan 0.000 0.438 362 D N 0.575 120.931 120.400 -0.073 0.000 2.478 362 D HA 0.034 4.672 4.640 -0.002 0.000 0.274 362 D C 0.695 176.866 176.300 -0.215 0.000 1.234 362 D CA -0.306 53.664 54.000 -0.050 0.000 1.069 362 D CB 0.607 41.590 40.800 0.305 0.000 1.113 362 D HN 0.520 nan 8.370 nan 0.000 0.571 363 E N -0.735 119.389 120.200 -0.126 0.000 2.118 363 E HA -0.158 4.191 4.350 -0.002 0.000 0.195 363 E C 0.933 177.446 176.600 -0.144 0.000 0.992 363 E CA 1.421 57.728 56.400 -0.155 0.000 0.804 363 E CB -0.474 29.190 29.700 -0.060 0.000 0.741 363 E HN 0.504 nan 8.360 nan 0.000 0.458 364 N N -0.246 118.401 118.700 -0.088 0.000 2.322 364 N HA 0.073 4.812 4.740 -0.002 0.000 0.216 364 N C -0.883 174.499 175.510 -0.213 0.000 1.144 364 N CA -0.175 52.856 53.050 -0.032 0.000 0.830 364 N CB 0.023 38.543 38.487 0.056 0.000 1.034 364 N HN 0.117 nan 8.380 nan 0.000 0.484 365 Y N 0.181 120.156 120.300 -0.541 0.000 3.168 365 Y HA -0.283 4.266 4.550 -0.002 0.000 0.207 365 Y C -0.068 175.641 175.900 -0.319 0.000 1.280 365 Y CA 0.343 58.080 58.100 -0.606 0.000 1.235 365 Y CB -1.460 36.248 38.460 -1.252 0.000 1.370 365 Y HN 0.316 nan 8.280 nan 0.000 0.537 366 Q N -0.140 119.608 119.800 -0.087 0.000 2.394 366 Q HA 0.428 4.766 4.340 -0.002 0.000 0.273 366 Q C -2.437 173.579 176.000 0.027 0.000 1.089 366 Q CA -2.340 53.460 55.803 -0.006 0.000 0.812 366 Q CB 1.915 30.664 28.738 0.017 0.000 1.353 366 Q HN -0.124 nan 8.270 nan 0.000 0.438 367 P HA -0.123 nan 4.420 nan 0.000 0.258 367 P C -0.795 176.569 177.300 0.106 0.000 1.172 367 P CA 0.429 63.567 63.100 0.064 0.000 0.762 367 P CB 0.090 31.812 31.700 0.036 0.000 0.764 368 W N 6.264 127.528 121.300 -0.059 0.000 2.416 368 W HA 0.451 5.110 4.660 -0.002 0.000 0.318 368 W C 0.726 177.223 176.519 -0.036 0.000 1.150 368 W CA 1.283 58.595 57.345 -0.055 0.000 1.392 368 W CB -0.235 29.184 29.460 -0.069 0.000 1.311 368 W HN 0.824 nan 8.180 nan 0.000 0.436 369 G N 6.223 114.806 108.800 -0.362 0.000 2.752 369 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.234 369 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.234 369 G C -1.494 173.281 174.900 -0.208 0.000 1.367 369 G CA -0.334 44.512 45.100 -0.423 0.000 0.879 369 G HN 0.399 nan 8.290 nan 0.000 0.563 370 P HA 0.106 nan 4.420 nan 0.000 0.217 370 P C 0.616 177.874 177.300 -0.070 0.000 1.150 370 P CA 1.628 64.664 63.100 -0.107 0.000 0.832 370 P CB 0.087 31.724 31.700 -0.104 0.000 0.787 371 E N -1.104 119.052 120.200 -0.072 0.000 2.916 371 E HA 0.459 4.807 4.350 -0.002 0.000 0.217 371 E C 0.457 177.061 176.600 0.007 0.000 1.100 371 E CA -0.361 56.022 56.400 -0.028 0.000 0.891 371 E CB 0.820 30.508 29.700 -0.020 0.000 1.311 371 E HN 0.004 nan 8.360 nan 0.000 0.421 372 A N 2.557 125.390 122.820 0.022 0.000 1.871 372 A HA -0.006 4.313 4.320 -0.002 0.000 0.211 372 A C 1.037 178.649 177.584 0.046 0.000 1.207 372 A CA 0.437 52.521 52.037 0.078 0.000 0.620 372 A CB 0.109 19.155 19.000 0.078 0.000 0.860 372 A HN 0.443 nan 8.150 nan 0.000 0.450 373 E N 0.328 120.540 120.200 0.020 0.000 2.194 373 E HA 0.511 4.860 4.350 -0.002 0.000 0.284 373 E C -1.357 175.232 176.600 -0.019 0.000 1.035 373 E CA -0.261 56.142 56.400 0.006 0.000 0.836 373 E CB 0.367 30.074 29.700 0.012 0.000 1.070 373 E HN 0.394 nan 8.360 nan 0.000 0.401 374 L N 6.177 127.375 121.223 -0.042 0.000 2.365 374 L HA 0.484 4.823 4.340 -0.002 0.000 0.273 374 L C -2.243 174.561 176.870 -0.111 0.000 1.000 374 L CA -2.749 52.039 54.840 -0.087 0.000 0.819 374 L CB 1.899 43.885 42.059 -0.121 0.000 1.284 374 L HN 0.505 nan 8.230 nan 0.000 0.418 375 P HA -0.026 nan 4.420 nan 0.000 0.264 375 P C 0.538 177.661 177.300 -0.295 0.000 1.193 375 P CA -0.108 62.883 63.100 -0.182 0.000 0.763 375 P CB 0.733 32.280 31.700 -0.256 0.000 0.810 376 L N 4.673 125.778 121.223 -0.198 0.000 2.127 376 L HA -0.215 4.124 4.340 -0.002 0.000 0.211 376 L C 2.414 178.890 176.870 -0.658 0.000 1.089 376 L CA 1.722 56.377 54.840 -0.310 0.000 0.757 376 L CB -0.987 40.985 42.059 -0.144 0.000 0.899 376 L HN 0.545 nan 8.230 nan 0.000 0.434 377 H N -3.043 115.764 119.070 -0.439 0.000 2.456 377 H HA -0.100 4.455 4.556 -0.002 0.000 0.296 377 H C 1.581 176.778 175.328 -0.218 0.000 1.079 377 H CA 1.452 57.260 56.048 -0.400 0.000 1.322 377 H CB -1.013 28.799 29.762 0.084 0.000 1.388 377 H HN 0.294 nan 8.280 nan 0.000 0.538 378 T N 1.898 116.054 114.554 -0.664 0.000 2.849 378 T HA -0.051 4.297 4.350 -0.002 0.000 0.270 378 T C 2.006 176.579 174.700 -0.213 0.000 1.066 378 T CA 1.308 63.181 62.100 -0.378 0.000 1.130 378 T CB -0.089 68.556 68.868 -0.372 0.000 0.864 378 T HN 0.357 nan 8.240 nan 0.000 0.481 379 L N -0.444 120.578 121.223 -0.335 0.000 2.693 379 L HA 0.329 4.668 4.340 -0.002 0.000 0.235 379 L C -0.346 176.463 176.870 -0.102 0.000 1.127 379 L CA -0.403 54.292 54.840 -0.242 0.000 0.914 379 L CB -0.047 41.855 42.059 -0.261 0.000 1.193 379 L HN 0.116 nan 8.230 nan 0.000 0.502 380 F N 0.720 120.737 119.950 0.112 0.000 2.541 380 F HA 0.164 4.690 4.527 -0.002 0.000 0.378 380 F C 0.804 176.760 175.800 0.260 0.000 1.068 380 F CA -0.696 57.383 58.000 0.131 0.000 1.199 380 F CB -0.620 38.550 39.000 0.284 0.000 1.091 380 F HN -0.026 nan 8.300 nan 0.000 0.555 381 F N 0.220 120.380 119.950 0.349 0.000 3.084 381 F HA -0.331 4.195 4.527 -0.002 0.000 0.286 381 F C 0.754 176.642 175.800 0.147 0.000 0.855 381 F CA 0.192 58.337 58.000 0.243 0.000 1.091 381 F CB -1.350 37.852 39.000 0.337 0.000 1.177 381 F HN 0.495 nan 8.300 nan 0.000 0.542 382 N N 1.108 119.907 118.700 0.165 0.000 2.401 382 N HA 0.201 4.939 4.740 -0.002 0.000 0.255 382 N C 0.954 176.448 175.510 -0.025 0.000 1.110 382 N CA 0.948 54.017 53.050 0.031 0.000 0.949 382 N CB 1.042 39.441 38.487 -0.147 0.000 1.110 382 N HN 0.309 nan 8.380 nan 0.000 0.490 383 T N -0.087 114.470 114.554 0.006 0.000 2.959 383 T HA 0.043 4.392 4.350 -0.002 0.000 0.254 383 T C 1.726 176.412 174.700 -0.023 0.000 1.003 383 T CA -0.477 61.593 62.100 -0.050 0.000 0.950 383 T CB -0.278 68.464 68.868 -0.210 0.000 1.090 383 T HN 0.659 nan 8.240 nan 0.000 0.503 384 W N 2.391 123.664 121.300 -0.045 0.000 2.436 384 W HA 0.139 4.798 4.660 -0.002 0.000 0.284 384 W C 1.395 177.920 176.519 0.010 0.000 1.225 384 W CA -0.068 57.258 57.345 -0.031 0.000 1.271 384 W CB -0.718 28.713 29.460 -0.048 0.000 1.114 384 W HN 0.045 nan 8.180 nan 0.000 0.559 385 R N 1.138 121.225 120.500 -0.689 0.000 2.148 385 R HA -0.043 4.296 4.340 -0.002 0.000 0.227 385 R C 2.069 178.260 176.300 -0.180 0.000 1.103 385 R CA 1.210 56.954 56.100 -0.593 0.000 0.983 385 R CB -0.696 29.158 30.300 -0.744 0.000 0.874 385 R HN 0.409 nan 8.270 nan 0.000 0.451 386 I N 0.516 121.029 120.570 -0.095 0.000 2.206 386 I HA -0.189 3.980 4.170 -0.002 0.000 0.239 386 I C 2.339 178.503 176.117 0.079 0.000 1.078 386 I CA 1.069 62.379 61.300 0.016 0.000 1.367 386 I CB -0.299 37.750 38.000 0.082 0.000 1.078 386 I HN 0.038 nan 8.210 nan 0.000 0.413 387 I N -1.564 119.028 120.570 0.038 0.000 2.716 387 I HA -0.056 4.113 4.170 -0.002 0.000 0.259 387 I C 1.743 177.975 176.117 0.191 0.000 1.172 387 I CA 1.338 62.682 61.300 0.074 0.000 1.478 387 I CB -0.196 37.767 38.000 -0.063 0.000 1.104 387 I HN 0.012 nan 8.210 nan 0.000 0.439 388 K N 0.042 120.560 120.400 0.197 0.000 2.387 388 K HA 0.131 4.450 4.320 -0.002 0.000 0.203 388 K C 0.025 176.773 176.600 0.247 0.000 1.030 388 K CA 0.182 56.608 56.287 0.232 0.000 1.099 388 K CB 0.479 33.139 32.500 0.266 0.000 0.863 388 K HN 0.183 nan 8.250 nan 0.000 0.529 389 D N -0.621 119.909 120.400 0.216 0.000 2.540 389 D HA 0.139 4.777 4.640 -0.002 0.000 0.229 389 D C 0.691 177.198 176.300 0.346 0.000 1.250 389 D CA 0.383 54.542 54.000 0.265 0.000 0.817 389 D CB 1.005 41.905 40.800 0.168 0.000 1.060 389 D HN 0.254 nan 8.370 nan 0.000 0.508 390 G N -1.027 107.896 108.800 0.204 0.000 2.977 390 G HA2 0.255 4.214 3.960 -0.002 0.000 0.211 390 G HA3 0.255 4.214 3.960 -0.002 0.000 0.211 390 G C 0.943 175.821 174.900 -0.037 0.000 0.994 390 G CA 0.210 45.301 45.100 -0.015 0.000 0.795 390 G HN 0.870 nan 8.290 nan 0.000 0.518 391 G N 0.132 108.982 108.800 0.084 0.000 2.484 391 G HA2 0.043 4.002 3.960 -0.002 0.000 0.225 391 G HA3 0.043 4.002 3.960 -0.002 0.000 0.225 391 G C 0.934 175.885 174.900 0.086 0.000 1.250 391 G CA 0.707 45.907 45.100 0.167 0.000 0.926 391 G HN 1.602 nan 8.290 nan 0.000 0.581 392 I N -2.626 117.983 120.570 0.066 0.000 4.181 392 I HA 0.413 4.582 4.170 -0.002 0.000 0.331 392 I C 1.461 177.539 176.117 -0.065 0.000 1.312 392 I CA 1.197 62.503 61.300 0.011 0.000 1.146 392 I CB 0.347 38.371 38.000 0.040 0.000 1.074 392 I HN 0.353 nan 8.210 nan 0.000 0.402 393 D N 3.919 124.261 120.400 -0.097 0.000 2.127 393 D HA -0.156 4.483 4.640 -0.002 0.000 0.190 393 D C -0.633 175.521 176.300 -0.244 0.000 1.000 393 D CA 2.500 56.402 54.000 -0.163 0.000 0.839 393 D CB -1.188 39.493 40.800 -0.199 0.000 0.955 393 D HN 0.378 nan 8.370 nan 0.000 0.446 394 P HA -0.062 nan 4.420 nan 0.000 0.230 394 P C 1.127 178.285 177.300 -0.237 0.000 1.158 394 P CA 0.939 63.797 63.100 -0.404 0.000 0.769 394 P CB 0.108 31.405 31.700 -0.672 0.000 0.807 395 L N -1.339 119.786 121.223 -0.164 0.000 2.298 395 L HA 0.012 4.351 4.340 -0.002 0.000 0.209 395 L C 2.555 179.403 176.870 -0.036 0.000 1.084 395 L CA 0.532 55.322 54.840 -0.083 0.000 0.816 395 L CB -0.664 41.361 42.059 -0.057 0.000 0.967 395 L HN -0.237 nan 8.230 nan 0.000 0.460 396 V N -0.170 119.723 119.914 -0.035 0.000 2.548 396 V HA -0.167 3.952 4.120 -0.002 0.000 0.249 396 V C 2.545 178.666 176.094 0.045 0.000 1.055 396 V CA 1.460 63.777 62.300 0.029 0.000 1.065 396 V CB -0.570 31.270 31.823 0.027 0.000 0.681 396 V HN 0.376 nan 8.190 nan 0.000 0.462 397 R N 0.219 120.683 120.500 -0.060 0.000 2.090 397 R HA -0.037 4.302 4.340 -0.002 0.000 0.228 397 R C 2.501 178.825 176.300 0.040 0.000 1.110 397 R CA 1.237 57.282 56.100 -0.092 0.000 0.973 397 R CB -0.732 29.230 30.300 -0.562 0.000 0.869 397 R HN 0.577 nan 8.270 nan 0.000 0.440 398 G N 1.512 110.303 108.800 -0.016 0.000 2.459 398 G HA2 -0.265 3.693 3.960 -0.002 0.000 0.217 398 G HA3 -0.265 3.693 3.960 -0.002 0.000 0.217 398 G C 1.431 176.379 174.900 0.081 0.000 1.183 398 G CA 0.580 45.698 45.100 0.030 0.000 0.776 398 G HN 0.141 nan 8.290 nan 0.000 0.552 399 L N -0.084 121.180 121.223 0.068 0.000 2.081 399 L HA -0.070 4.269 4.340 -0.002 0.000 0.212 399 L C 2.902 179.826 176.870 0.090 0.000 1.080 399 L CA 0.693 55.568 54.840 0.059 0.000 0.754 399 L CB -0.276 41.801 42.059 0.030 0.000 0.893 399 L HN 0.216 nan 8.230 nan 0.000 0.433 400 L N -1.165 120.169 121.223 0.184 0.000 2.156 400 L HA -0.086 4.253 4.340 -0.002 0.000 0.208 400 L C 2.406 179.485 176.870 0.347 0.000 1.095 400 L CA 1.004 56.005 54.840 0.268 0.000 0.770 400 L CB -0.438 41.907 42.059 0.476 0.000 0.914 400 L HN 0.214 nan 8.230 nan 0.000 0.439 401 A N -1.767 121.264 122.820 0.352 0.000 2.288 401 A HA 0.155 4.474 4.320 -0.002 0.000 0.216 401 A C 0.900 178.600 177.584 0.193 0.000 1.199 401 A CA 0.020 52.246 52.037 0.314 0.000 0.891 401 A CB 0.284 19.460 19.000 0.294 0.000 0.923 401 A HN -0.029 nan 8.150 nan 0.000 0.500 402 K N 0.769 121.259 120.400 0.151 0.000 2.168 402 K HA 0.401 4.720 4.320 -0.002 0.000 0.239 402 K C -0.977 175.688 176.600 0.108 0.000 0.999 402 K CA -0.683 55.673 56.287 0.114 0.000 0.900 402 K CB 0.565 33.120 32.500 0.091 0.000 1.111 402 K HN 0.129 nan 8.250 nan 0.000 0.452 403 N N -0.232 118.529 118.700 0.103 0.000 2.466 403 N HA 0.261 5.000 4.740 -0.002 0.000 0.294 403 N C -0.332 175.252 175.510 0.122 0.000 1.129 403 N CA -0.233 52.883 53.050 0.109 0.000 0.931 403 N CB 1.391 39.936 38.487 0.098 0.000 1.193 403 N HN 0.326 nan 8.380 nan 0.000 0.500 404 S N 0.264 116.057 115.700 0.155 0.000 2.641 404 S HA 0.145 4.614 4.470 -0.002 0.000 0.261 404 S C 0.382 175.076 174.600 0.158 0.000 1.257 404 S CA -0.355 57.953 58.200 0.179 0.000 0.983 404 S CB 0.691 64.058 63.200 0.278 0.000 0.990 404 S HN 0.389 nan 8.310 nan 0.000 0.572 405 K N 1.007 121.505 120.400 0.165 0.000 2.201 405 K HA 0.366 4.685 4.320 -0.002 0.000 0.278 405 K C -0.982 175.707 176.600 0.149 0.000 1.027 405 K CA -0.534 55.841 56.287 0.147 0.000 0.909 405 K CB 0.556 33.152 32.500 0.160 0.000 1.062 405 K HN 0.424 nan 8.250 nan 0.000 0.465 406 L N 5.326 126.614 121.223 0.107 0.000 2.319 406 L HA 0.202 4.540 4.340 -0.002 0.000 0.280 406 L C 0.091 176.998 176.870 0.062 0.000 1.099 406 L CA -0.182 54.714 54.840 0.094 0.000 0.828 406 L CB 0.959 43.053 42.059 0.057 0.000 1.150 406 L HN 0.716 nan 8.230 nan 0.000 0.442 407 M N 5.476 125.127 119.600 0.084 0.000 2.248 407 M HA 0.091 4.570 4.480 -0.002 0.000 0.345 407 M C -0.819 175.481 176.300 -0.001 0.000 1.243 407 M CA 0.787 56.116 55.300 0.048 0.000 1.090 407 M CB -0.055 32.589 32.600 0.073 0.000 1.683 407 M HN 0.803 nan 8.290 nan 0.000 0.450 408 N N 3.567 122.242 118.700 -0.041 0.000 2.455 408 N HA 0.174 4.912 4.740 -0.002 0.000 0.285 408 N C -0.044 175.424 175.510 -0.070 0.000 1.080 408 N CA -0.231 52.780 53.050 -0.065 0.000 0.932 408 N CB 1.326 39.747 38.487 -0.110 0.000 1.610 408 N HN 0.705 nan 8.380 nan 0.000 0.493 409 Q N 1.028 120.798 119.800 -0.050 0.000 2.152 409 Q HA -0.072 4.267 4.340 -0.002 0.000 0.206 409 Q C 0.683 176.662 176.000 -0.035 0.000 0.985 409 Q CA 1.639 57.417 55.803 -0.041 0.000 0.863 409 Q CB 0.135 28.855 28.738 -0.030 0.000 0.904 409 Q HN 0.546 nan 8.270 nan 0.000 0.422 410 N N 0.066 118.738 118.700 -0.045 0.000 2.422 410 N HA 0.011 4.750 4.740 -0.002 0.000 0.181 410 N C -0.455 175.020 175.510 -0.059 0.000 1.080 410 N CA 0.657 53.689 53.050 -0.030 0.000 0.893 410 N CB 0.509 38.983 38.487 -0.022 0.000 0.973 410 N HN 0.106 nan 8.380 nan 0.000 0.456 411 K N 0.258 120.551 120.400 -0.178 0.000 2.705 411 K HA 0.361 4.680 4.320 -0.002 0.000 0.238 411 K C 0.275 176.683 176.600 -0.319 0.000 0.996 411 K CA -0.074 55.917 56.287 -0.493 0.000 1.007 411 K CB 1.941 33.813 32.500 -1.046 0.000 1.206 411 K HN -0.132 nan 8.250 nan 0.000 0.488 412 M N 0.373 119.999 119.600 0.042 0.000 2.508 412 M HA 0.153 4.632 4.480 -0.002 0.000 0.238 412 M C 0.328 176.802 176.300 0.291 0.000 1.210 412 M CA 0.625 55.995 55.300 0.117 0.000 1.231 412 M CB 0.529 33.179 32.600 0.084 0.000 1.201 412 M HN 0.113 nan 8.290 nan 0.000 0.491 413 V N 0.825 120.989 119.914 0.417 0.000 2.417 413 V HA 0.220 4.339 4.120 -0.002 0.000 0.291 413 V C 0.128 176.436 176.094 0.356 0.000 1.024 413 V CA -0.735 61.806 62.300 0.401 0.000 0.861 413 V CB 1.462 33.506 31.823 0.369 0.000 0.985 413 V HN 0.365 nan 8.190 nan 0.000 0.436 414 T N 2.968 117.700 114.554 0.298 0.000 2.855 414 T HA 0.023 4.372 4.350 -0.002 0.000 0.314 414 T C 1.447 176.130 174.700 -0.029 0.000 1.077 414 T CA 0.421 62.536 62.100 0.024 0.000 1.095 414 T CB 0.807 69.763 68.868 0.147 0.000 0.987 414 T HN 0.809 nan 8.240 nan 0.000 0.546 415 S N 2.368 117.985 115.700 -0.137 0.000 2.442 415 S HA -0.073 4.396 4.470 -0.002 0.000 0.236 415 S C 1.840 176.480 174.600 0.067 0.000 1.007 415 S CA 0.627 58.797 58.200 -0.050 0.000 0.965 415 S CB -0.153 62.998 63.200 -0.082 0.000 0.773 415 S HN 0.694 nan 8.310 nan 0.000 0.504 416 E N 1.020 121.293 120.200 0.123 0.000 2.204 416 E HA 0.033 4.382 4.350 -0.002 0.000 0.194 416 E C 1.759 178.582 176.600 0.371 0.000 0.989 416 E CA 0.637 57.183 56.400 0.243 0.000 0.824 416 E CB -0.122 29.713 29.700 0.226 0.000 0.756 416 E HN 0.503 nan 8.360 nan 0.000 0.477 417 L N -0.119 121.263 121.223 0.265 0.000 2.388 417 L HA 0.104 4.443 4.340 -0.002 0.000 0.209 417 L C 2.307 179.251 176.870 0.123 0.000 1.061 417 L CA 0.322 55.284 54.840 0.204 0.000 0.834 417 L CB -0.021 42.133 42.059 0.158 0.000 1.029 417 L HN 0.022 nan 8.230 nan 0.000 0.473 418 R N -1.313 119.261 120.500 0.124 0.000 2.317 418 R HA 0.125 4.464 4.340 -0.002 0.000 0.208 418 R C 0.515 176.874 176.300 0.098 0.000 0.914 418 R CA 0.487 56.651 56.100 0.107 0.000 1.060 418 R CB 0.004 30.378 30.300 0.123 0.000 1.015 418 R HN 0.135 nan 8.270 nan 0.000 0.498 419 N N -0.116 118.646 118.700 0.102 0.000 2.039 419 N HA 0.155 4.893 4.740 -0.002 0.000 0.228 419 N C -0.633 174.934 175.510 0.096 0.000 1.369 419 N CA -0.034 53.060 53.050 0.074 0.000 0.806 419 N CB 1.177 39.678 38.487 0.023 0.000 1.190 419 N HN 0.157 nan 8.380 nan 0.000 0.506 420 K N -0.094 120.418 120.400 0.188 0.000 2.614 420 K HA 0.212 4.531 4.320 -0.002 0.000 0.190 420 K C -0.698 176.196 176.600 0.490 0.000 1.255 420 K CA -0.269 56.181 56.287 0.272 0.000 1.099 420 K CB 1.280 33.867 32.500 0.144 0.000 1.023 420 K HN -0.104 nan 8.250 nan 0.000 0.576 421 L N 2.110 123.540 121.223 0.344 0.000 2.513 421 L HA 0.213 4.552 4.340 -0.002 0.000 0.272 421 L C -0.503 176.513 176.870 0.243 0.000 1.187 421 L CA 0.160 55.075 54.840 0.124 0.000 0.895 421 L CB 0.057 42.068 42.059 -0.079 0.000 1.147 421 L HN 0.012 nan 8.230 nan 0.000 0.483 422 F N 5.086 125.047 119.950 0.019 0.000 2.408 422 F HA 0.430 4.956 4.527 -0.002 0.000 0.344 422 F C -0.091 175.752 175.800 0.072 0.000 1.112 422 F CA -0.201 57.803 58.000 0.007 0.000 1.096 422 F CB 0.711 39.601 39.000 -0.184 0.000 1.129 422 F HN 0.519 nan 8.300 nan 0.000 0.486 423 Q N 7.618 127.056 119.800 -0.603 0.000 2.337 423 Q HA 0.264 4.603 4.340 -0.002 0.000 0.266 423 Q C -1.915 173.617 176.000 -0.779 0.000 1.023 423 Q CA -1.927 53.570 55.803 -0.509 0.000 0.829 423 Q CB 2.164 30.585 28.738 -0.528 0.000 1.306 423 Q HN 0.414 nan 8.270 nan 0.000 0.449 424 P HA -0.292 nan 4.420 nan 0.000 0.217 424 P C 1.354 178.306 177.300 -0.581 0.000 1.162 424 P CA 2.222 64.851 63.100 -0.784 0.000 0.901 424 P CB 0.053 31.394 31.700 -0.599 0.000 0.793 425 T N -4.159 110.099 114.554 -0.493 0.000 2.770 425 T HA -0.100 4.249 4.350 -0.002 0.000 0.263 425 T C 1.201 175.602 174.700 -0.499 0.000 1.039 425 T CA 0.877 62.676 62.100 -0.501 0.000 1.142 425 T CB -1.166 67.355 68.868 -0.579 0.000 0.868 425 T HN 0.118 nan 8.240 nan 0.000 0.435 426 H N 1.301 120.217 119.070 -0.256 0.000 2.639 426 H HA 0.349 4.904 4.556 -0.002 0.000 0.373 426 H C 1.017 176.272 175.328 -0.123 0.000 1.372 426 H CA 0.033 56.019 56.048 -0.104 0.000 1.448 426 H CB 0.841 30.672 29.762 0.115 0.000 1.544 426 H HN 0.333 nan 8.280 nan 0.000 0.615 427 K N 0.357 120.908 120.400 0.252 0.000 2.365 427 K HA 0.133 4.452 4.320 -0.002 0.000 0.195 427 K C 0.539 177.566 176.600 0.710 0.000 1.079 427 K CA 0.202 56.771 56.287 0.470 0.000 0.979 427 K CB 0.729 33.457 32.500 0.380 0.000 0.929 427 K HN 0.321 nan 8.250 nan 0.000 0.523 428 V N 0.082 120.297 119.914 0.502 0.000 2.716 428 V HA 0.284 4.403 4.120 -0.002 0.000 0.304 428 V C -0.454 175.988 176.094 0.581 0.000 1.053 428 V CA -0.845 61.750 62.300 0.492 0.000 0.984 428 V CB 0.970 32.939 31.823 0.243 0.000 1.021 428 V HN 0.130 nan 8.190 nan 0.000 0.467 429 H N 2.890 122.225 119.070 0.443 0.000 2.745 429 H HA 0.626 5.181 4.556 -0.002 0.000 0.235 429 H C 0.873 176.336 175.328 0.224 0.000 1.815 429 H CA 0.301 56.604 56.048 0.425 0.000 1.321 429 H CB 0.415 30.384 29.762 0.345 0.000 1.716 429 H HN 1.056 nan 8.280 nan 0.000 0.546 430 G N 1.031 109.977 108.800 0.244 0.000 4.956 430 G HA2 0.069 4.028 3.960 -0.002 0.000 0.263 430 G HA3 0.069 4.028 3.960 -0.002 0.000 0.263 430 G C -0.361 174.514 174.900 -0.041 0.000 0.958 430 G CA -0.244 44.892 45.100 0.060 0.000 0.749 430 G HN 0.223 nan 8.290 nan 0.000 0.356 431 F N 0.780 120.783 119.950 0.088 0.000 2.368 431 F HA 0.534 5.059 4.527 -0.002 0.000 0.315 431 F C 0.265 176.091 175.800 0.044 0.000 1.145 431 F CA -0.489 57.538 58.000 0.044 0.000 1.095 431 F CB 1.271 40.259 39.000 -0.020 0.000 1.286 431 F HN -0.083 nan 8.300 nan 0.000 0.530 432 D N 1.373 121.924 120.400 0.253 0.000 2.308 432 D HA 0.181 4.820 4.640 -0.002 0.000 0.242 432 D C 0.322 176.656 176.300 0.058 0.000 1.059 432 D CA -0.393 53.688 54.000 0.135 0.000 0.830 432 D CB 1.719 42.589 40.800 0.118 0.000 1.161 432 D HN 0.346 nan 8.370 nan 0.000 0.494 433 L N 4.858 126.076 121.223 -0.009 0.000 2.068 433 L HA 0.162 4.501 4.340 -0.002 0.000 0.204 433 L C 2.098 178.832 176.870 -0.226 0.000 1.076 433 L CA 1.978 56.726 54.840 -0.153 0.000 0.753 433 L CB -0.973 40.948 42.059 -0.229 0.000 0.910 433 L HN 0.575 nan 8.230 nan 0.000 0.439 434 A N -0.280 122.487 122.820 -0.088 0.000 1.892 434 A HA -0.199 4.119 4.320 -0.002 0.000 0.218 434 A C 2.426 179.910 177.584 -0.168 0.000 1.188 434 A CA 2.235 54.208 52.037 -0.106 0.000 0.631 434 A CB -1.223 17.959 19.000 0.303 0.000 0.822 434 A HN 0.541 nan 8.150 nan 0.000 0.447 435 A N -0.468 122.328 122.820 -0.040 0.000 1.930 435 A HA 0.013 4.332 4.320 -0.002 0.000 0.217 435 A C 1.951 179.478 177.584 -0.096 0.000 1.175 435 A CA 1.445 53.456 52.037 -0.045 0.000 0.627 435 A CB -0.435 18.559 19.000 -0.010 0.000 0.815 435 A HN 0.413 nan 8.150 nan 0.000 0.443 436 I N 0.851 121.389 120.570 -0.053 0.000 2.361 436 I HA -0.228 3.940 4.170 -0.002 0.000 0.251 436 I C 1.922 178.059 176.117 0.033 0.000 1.133 436 I CA 1.270 62.608 61.300 0.063 0.000 1.413 436 I CB -1.874 36.161 38.000 0.060 0.000 1.073 436 I HN 0.457 nan 8.210 nan 0.000 0.424 437 N N 0.619 119.189 118.700 -0.216 0.000 2.106 437 N HA -0.110 4.628 4.740 -0.002 0.000 0.188 437 N C 2.003 177.451 175.510 -0.103 0.000 1.029 437 N CA 0.823 53.682 53.050 -0.319 0.000 0.848 437 N CB 0.023 37.833 38.487 -1.128 0.000 1.007 437 N HN 0.252 nan 8.380 nan 0.000 0.423 438 L N 0.617 121.775 121.223 -0.108 0.000 2.027 438 L HA -0.148 4.190 4.340 -0.002 0.000 0.206 438 L C 2.469 179.346 176.870 0.011 0.000 1.074 438 L CA 0.986 55.846 54.840 0.033 0.000 0.745 438 L CB -0.411 41.704 42.059 0.093 0.000 0.898 438 L HN 0.155 nan 8.230 nan 0.000 0.433 439 Q N 0.259 119.974 119.800 -0.142 0.000 2.368 439 Q HA -0.206 4.133 4.340 -0.002 0.000 0.210 439 Q C 2.092 178.070 176.000 -0.037 0.000 0.982 439 Q CA 1.422 57.013 55.803 -0.352 0.000 0.884 439 Q CB -0.033 28.066 28.738 -1.065 0.000 0.933 439 Q HN 0.220 nan 8.270 nan 0.000 0.460 440 R N -2.102 118.536 120.500 0.230 0.000 2.282 440 R HA 0.140 4.479 4.340 -0.002 0.000 0.195 440 R C 1.598 178.177 176.300 0.465 0.000 0.909 440 R CA 0.548 57.005 56.100 0.596 0.000 1.039 440 R CB 0.084 30.805 30.300 0.702 0.000 1.015 440 R HN 0.325 nan 8.270 nan 0.000 0.513 441 C N -0.116 119.229 119.300 0.075 0.000 2.450 441 C HA 0.066 4.525 4.460 -0.002 0.000 0.279 441 C C 2.289 177.262 174.990 -0.027 0.000 1.335 441 C CA 0.522 59.317 59.018 -0.372 0.000 1.749 441 C CB -0.688 26.899 27.740 -0.254 0.000 1.963 441 C HN 0.457 nan 8.230 nan 0.000 0.501 442 R N 0.902 121.507 120.500 0.175 0.000 2.093 442 R HA -0.072 4.267 4.340 -0.002 0.000 0.224 442 R C 1.855 178.363 176.300 0.347 0.000 1.101 442 R CA 1.476 57.749 56.100 0.288 0.000 0.979 442 R CB -0.430 30.101 30.300 0.385 0.000 0.877 442 R HN 0.449 nan 8.270 nan 0.000 0.441 443 D N 0.145 120.811 120.400 0.443 0.000 2.178 443 D HA -0.158 4.481 4.640 -0.002 0.000 0.201 443 D C 0.803 177.284 176.300 0.302 0.000 0.980 443 D CA 1.264 55.514 54.000 0.416 0.000 0.842 443 D CB 0.079 41.236 40.800 0.596 0.000 0.948 443 D HN 0.290 nan 8.370 nan 0.000 0.472 444 H N -1.266 117.968 119.070 0.274 0.000 2.538 444 H HA 0.398 4.953 4.556 -0.002 0.000 0.286 444 H C 1.085 176.432 175.328 0.031 0.000 1.035 444 H CA 0.451 56.634 56.048 0.225 0.000 1.169 444 H CB 0.218 30.161 29.762 0.301 0.000 1.417 444 H HN 0.163 nan 8.280 nan 0.000 0.567 445 G N 1.297 110.066 108.800 -0.051 0.000 2.395 445 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.300 445 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.300 445 G C 0.101 174.800 174.900 -0.333 0.000 0.998 445 G CA -0.036 44.567 45.100 -0.828 0.000 1.046 445 G HN 0.169 nan 8.290 nan 0.000 0.513 446 M N -0.030 119.513 119.600 -0.095 0.000 2.211 446 M HA 0.285 4.763 4.480 -0.002 0.000 0.356 446 M C -1.785 174.570 176.300 0.093 0.000 1.216 446 M CA -2.286 53.030 55.300 0.026 0.000 1.134 446 M CB 0.431 32.990 32.600 -0.067 0.000 1.564 446 M HN -0.031 nan 8.290 nan 0.000 0.463 447 P HA 0.238 nan 4.420 nan 0.000 0.274 447 P C 0.229 177.621 177.300 0.154 0.000 1.246 447 P CA -0.303 62.811 63.100 0.023 0.000 0.795 447 P CB 0.438 31.953 31.700 -0.309 0.000 1.006 448 G N -0.476 108.357 108.800 0.055 0.000 2.621 448 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.271 448 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.271 448 G C 0.295 175.354 174.900 0.263 0.000 1.236 448 G CA -0.163 45.020 45.100 0.139 0.000 0.958 448 G HN 0.442 nan 8.290 nan 0.000 0.512 449 Y N 0.604 120.968 120.300 0.108 0.000 2.030 449 Y HA -0.278 4.270 4.550 -0.002 0.000 0.272 449 Y C 2.655 178.635 175.900 0.134 0.000 1.185 449 Y CA 2.783 60.958 58.100 0.125 0.000 1.120 449 Y CB -0.328 38.137 38.460 0.007 0.000 0.955 449 Y HN 0.457 nan 8.280 nan 0.000 0.495 450 N N -0.569 118.118 118.700 -0.022 0.000 2.309 450 N HA -0.120 4.619 4.740 -0.002 0.000 0.182 450 N C 1.946 177.393 175.510 -0.105 0.000 1.018 450 N CA 1.331 54.300 53.050 -0.134 0.000 0.876 450 N CB -0.384 38.078 38.487 -0.041 0.000 0.972 450 N HN 0.295 nan 8.380 nan 0.000 0.434 451 S N -0.722 114.901 115.700 -0.129 0.000 2.402 451 S HA -0.072 4.397 4.470 -0.002 0.000 0.229 451 S C 1.400 175.817 174.600 -0.305 0.000 1.021 451 S CA 0.764 58.805 58.200 -0.266 0.000 0.974 451 S CB -0.219 62.725 63.200 -0.427 0.000 0.800 451 S HN 0.513 nan 8.310 nan 0.000 0.484 452 W N 1.334 122.642 121.300 0.013 0.000 2.539 452 W HA 0.182 4.841 4.660 -0.002 0.000 0.281 452 W C 2.358 178.906 176.519 0.048 0.000 1.220 452 W CA -0.448 56.939 57.345 0.070 0.000 1.332 452 W CB -0.016 29.473 29.460 0.047 0.000 1.095 452 W HN 0.004 nan 8.180 nan 0.000 0.571 453 R N 0.221 120.756 120.500 0.057 0.000 2.159 453 R HA -0.083 4.256 4.340 -0.002 0.000 0.237 453 R C 2.120 178.432 176.300 0.021 0.000 1.131 453 R CA 1.499 57.557 56.100 -0.070 0.000 0.982 453 R CB -1.216 28.882 30.300 -0.336 0.000 0.868 453 R HN 0.355 nan 8.270 nan 0.000 0.453 454 G N -0.652 108.171 108.800 0.039 0.000 2.459 454 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.213 454 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.213 454 G C 1.220 176.180 174.900 0.100 0.000 1.155 454 G CA -0.252 44.872 45.100 0.041 0.000 0.811 454 G HN 0.304 nan 8.290 nan 0.000 0.534 455 F N 0.858 120.820 119.950 0.020 0.000 2.451 455 F HA 0.002 4.528 4.527 -0.002 0.000 0.299 455 F C 1.809 177.692 175.800 0.139 0.000 1.101 455 F CA 0.708 58.756 58.000 0.080 0.000 1.436 455 F CB 0.151 39.236 39.000 0.142 0.000 1.074 455 F HN 0.143 nan 8.300 nan 0.000 0.553 456 c N 0.434 119.111 118.600 0.128 0.000 2.926 456 c HA 0.476 5.045 4.570 -0.002 0.000 0.272 456 c C 1.531 175.682 174.090 0.101 0.000 1.249 456 c CA 0.389 56.765 56.329 0.078 0.000 1.691 456 c CB -0.832 41.778 42.510 0.167 0.000 1.983 456 c HN 0.776 nan 8.230 nan 0.000 0.615 457 G N 1.393 110.224 108.800 0.052 0.000 2.291 457 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.271 457 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.271 457 G C -0.677 174.250 174.900 0.045 0.000 1.099 457 G CA -0.083 45.037 45.100 0.035 0.000 0.919 457 G HN 0.343 nan 8.290 nan 0.000 0.496 458 L N 0.469 121.716 121.223 0.040 0.000 2.319 458 L HA 0.796 5.135 4.340 -0.002 0.000 0.267 458 L C 1.245 178.115 176.870 0.001 0.000 1.011 458 L CA -0.263 54.594 54.840 0.028 0.000 0.818 458 L CB 1.663 43.743 42.059 0.034 0.000 1.316 458 L HN 0.613 nan 8.230 nan 0.000 0.432 459 S N 0.701 116.403 115.700 0.003 0.000 2.558 459 S HA 0.115 4.583 4.470 -0.002 0.000 0.287 459 S C -0.261 174.328 174.600 -0.019 0.000 1.321 459 S CA -0.289 57.911 58.200 -0.000 0.000 1.048 459 S CB 0.049 63.257 63.200 0.013 0.000 0.844 459 S HN 0.562 nan 8.310 nan 0.000 0.512 460 Q N 2.217 122.010 119.800 -0.011 0.000 2.508 460 Q HA 0.342 4.681 4.340 -0.002 0.000 0.247 460 Q C -2.625 173.385 176.000 0.016 0.000 1.047 460 Q CA -1.870 53.922 55.803 -0.019 0.000 0.783 460 Q CB 1.181 29.905 28.738 -0.022 0.000 1.172 460 Q HN 0.552 nan 8.270 nan 0.000 0.515 461 P HA 0.033 nan 4.420 nan 0.000 0.271 461 P C 0.098 177.435 177.300 0.062 0.000 1.220 461 P CA -0.147 62.992 63.100 0.065 0.000 0.768 461 P CB 0.966 32.730 31.700 0.107 0.000 0.848 462 K N 0.248 120.677 120.400 0.047 0.000 2.391 462 K HA 0.134 4.452 4.320 -0.002 0.000 0.197 462 K C 0.663 177.286 176.600 0.039 0.000 1.087 462 K CA 0.633 56.948 56.287 0.046 0.000 1.012 462 K CB 0.469 32.993 32.500 0.041 0.000 0.925 462 K HN 0.565 nan 8.250 nan 0.000 0.547 463 T N -1.498 113.077 114.554 0.034 0.000 2.924 463 T HA 0.291 4.640 4.350 -0.002 0.000 0.291 463 T C 1.028 175.740 174.700 0.020 0.000 1.045 463 T CA -0.829 61.286 62.100 0.024 0.000 1.015 463 T CB 1.873 70.754 68.868 0.023 0.000 1.103 463 T HN -0.103 nan 8.240 nan 0.000 0.496 464 L N 1.498 122.728 121.223 0.012 0.000 1.990 464 L HA -0.046 4.293 4.340 -0.002 0.000 0.213 464 L C 2.459 179.337 176.870 0.013 0.000 1.072 464 L CA 1.946 56.791 54.840 0.008 0.000 0.755 464 L CB -0.796 41.265 42.059 0.003 0.000 0.889 464 L HN 0.807 nan 8.230 nan 0.000 0.432 465 K N -0.584 119.825 120.400 0.014 0.000 2.147 465 K HA -0.081 4.237 4.320 -0.002 0.000 0.205 465 K C 1.996 178.609 176.600 0.021 0.000 1.049 465 K CA 1.101 57.397 56.287 0.016 0.000 0.936 465 K CB -0.690 31.819 32.500 0.014 0.000 0.722 465 K HN 0.607 nan 8.250 nan 0.000 0.446 466 G N 1.401 110.216 108.800 0.026 0.000 2.433 466 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.216 466 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.216 466 G C 1.376 176.302 174.900 0.044 0.000 1.186 466 G CA 0.587 45.708 45.100 0.034 0.000 0.779 466 G HN 0.189 nan 8.290 nan 0.000 0.543 467 L N 0.364 121.615 121.223 0.047 0.000 2.265 467 L HA 0.033 4.371 4.340 -0.002 0.000 0.215 467 L C 2.827 179.718 176.870 0.035 0.000 1.117 467 L CA 1.606 56.479 54.840 0.054 0.000 0.782 467 L CB -0.354 41.726 42.059 0.035 0.000 0.914 467 L HN 0.309 nan 8.230 nan 0.000 0.441 468 Q N -0.958 118.856 119.800 0.024 0.000 2.084 468 Q HA -0.172 4.166 4.340 -0.002 0.000 0.202 468 Q C 2.268 178.280 176.000 0.021 0.000 0.978 468 Q CA 1.585 57.398 55.803 0.017 0.000 0.844 468 Q CB -0.272 28.474 28.738 0.013 0.000 0.898 468 Q HN 0.698 nan 8.270 nan 0.000 0.426 469 A N 0.020 122.856 122.820 0.027 0.000 1.930 469 A HA -0.116 4.203 4.320 -0.002 0.000 0.217 469 A C 2.252 179.857 177.584 0.035 0.000 1.175 469 A CA 1.153 53.206 52.037 0.027 0.000 0.627 469 A CB -0.483 18.532 19.000 0.026 0.000 0.815 469 A HN 0.207 nan 8.150 nan 0.000 0.443 470 V N -0.606 119.339 119.914 0.051 0.000 2.283 470 V HA -0.159 3.960 4.120 -0.002 0.000 0.243 470 V C 2.295 178.425 176.094 0.061 0.000 1.039 470 V CA 1.693 64.036 62.300 0.072 0.000 1.016 470 V CB -0.591 31.305 31.823 0.123 0.000 0.650 470 V HN 0.468 nan 8.190 nan 0.000 0.449 471 L N -0.481 120.768 121.223 0.044 0.000 2.478 471 L HA 0.110 4.449 4.340 -0.002 0.000 0.223 471 L C 1.418 178.294 176.870 0.010 0.000 1.140 471 L CA 0.981 55.832 54.840 0.017 0.000 0.842 471 L CB -0.910 41.143 42.059 -0.010 0.000 0.953 471 L HN 0.333 nan 8.230 nan 0.000 0.452 472 K N 0.293 120.702 120.400 0.015 0.000 3.020 472 K HA -0.253 4.066 4.320 -0.002 0.000 0.266 472 K C -0.004 176.599 176.600 0.004 0.000 1.067 472 K CA 0.685 56.977 56.287 0.010 0.000 0.780 472 K CB -1.292 31.214 32.500 0.009 0.000 1.220 472 K HN 0.328 nan 8.250 nan 0.000 0.483 473 N N 0.305 119.007 118.700 0.002 0.000 2.549 473 N HA 0.172 4.911 4.740 -0.002 0.000 0.290 473 N C 0.169 175.679 175.510 0.000 0.000 1.122 473 N CA -0.579 52.470 53.050 -0.001 0.000 0.885 473 N CB 1.189 39.673 38.487 -0.006 0.000 1.455 473 N HN -0.069 nan 8.380 nan 0.000 0.521 474 K N 0.985 121.387 120.400 0.003 0.000 2.097 474 K HA -0.044 4.274 4.320 -0.002 0.000 0.206 474 K C 1.333 177.935 176.600 0.003 0.000 1.049 474 K CA 1.323 57.612 56.287 0.004 0.000 0.933 474 K CB 0.259 32.762 32.500 0.005 0.000 0.717 474 K HN 0.288 nan 8.250 nan 0.000 0.442 475 V N 1.214 121.130 119.914 0.003 0.000 2.346 475 V HA -0.182 3.937 4.120 -0.002 0.000 0.244 475 V C 2.115 178.212 176.094 0.005 0.000 1.037 475 V CA 1.091 63.394 62.300 0.005 0.000 1.029 475 V CB -0.394 31.434 31.823 0.007 0.000 0.663 475 V HN 0.199 nan 8.190 nan 0.000 0.454 476 L N 1.207 122.430 121.223 -0.000 0.000 2.083 476 L HA -0.048 4.291 4.340 -0.002 0.000 0.209 476 L C 2.412 179.276 176.870 -0.010 0.000 1.083 476 L CA 2.251 57.089 54.840 -0.004 0.000 0.752 476 L CB -0.902 41.148 42.059 -0.016 0.000 0.899 476 L HN 0.236 nan 8.230 nan 0.000 0.433 477 A N -1.063 121.749 122.820 -0.013 0.000 2.015 477 A HA -0.205 4.113 4.320 -0.002 0.000 0.219 477 A C 2.310 179.891 177.584 -0.004 0.000 1.163 477 A CA 1.692 53.719 52.037 -0.016 0.000 0.646 477 A CB -0.453 18.541 19.000 -0.009 0.000 0.806 477 A HN 0.411 nan 8.150 nan 0.000 0.448 478 K N 0.279 120.680 120.400 0.002 0.000 2.116 478 K HA 0.020 4.339 4.320 -0.002 0.000 0.203 478 K C 1.872 178.479 176.600 0.011 0.000 1.052 478 K CA 1.523 57.812 56.287 0.005 0.000 0.952 478 K CB -0.159 32.344 32.500 0.005 0.000 0.729 478 K HN 0.422 nan 8.250 nan 0.000 0.446 479 K N 0.170 120.581 120.400 0.018 0.000 2.057 479 K HA -0.048 4.271 4.320 -0.002 0.000 0.206 479 K C 2.052 178.685 176.600 0.055 0.000 1.050 479 K CA 1.435 57.740 56.287 0.029 0.000 0.935 479 K CB -0.186 32.334 32.500 0.033 0.000 0.715 479 K HN 0.105 nan 8.250 nan 0.000 0.439 480 L N 0.912 122.175 121.223 0.068 0.000 2.046 480 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 480 L C 2.362 179.348 176.870 0.194 0.000 1.077 480 L CA 1.083 56.013 54.840 0.149 0.000 0.747 480 L CB -0.395 41.683 42.059 0.032 0.000 0.896 480 L HN 0.155 nan 8.230 nan 0.000 0.432 481 L N -0.616 120.651 121.223 0.074 0.000 2.056 481 L HA -0.195 4.144 4.340 -0.002 0.000 0.207 481 L C 2.126 178.997 176.870 0.002 0.000 1.078 481 L CA 0.933 55.796 54.840 0.037 0.000 0.749 481 L CB -0.532 41.522 42.059 -0.008 0.000 0.901 481 L HN 0.228 nan 8.230 nan 0.000 0.433 482 D N -0.009 120.390 120.400 -0.002 0.000 2.221 482 D HA -0.169 4.469 4.640 -0.002 0.000 0.204 482 D C 2.237 178.510 176.300 -0.044 0.000 0.982 482 D CA 1.221 55.205 54.000 -0.026 0.000 0.857 482 D CB 0.006 40.799 40.800 -0.012 0.000 0.934 482 D HN 0.275 nan 8.370 nan 0.000 0.475 483 L N -1.480 119.721 121.223 -0.036 0.000 2.253 483 L HA -0.019 4.320 4.340 -0.002 0.000 0.205 483 L C 1.487 178.212 176.870 -0.242 0.000 1.078 483 L CA 0.540 55.294 54.840 -0.143 0.000 0.805 483 L CB 0.086 42.033 42.059 -0.187 0.000 0.963 483 L HN 0.023 nan 8.230 nan 0.000 0.459 484 Y N -0.696 119.567 120.300 -0.063 0.000 2.481 484 Y HA 0.042 4.591 4.550 -0.002 0.000 0.258 484 Y C 1.180 176.980 175.900 -0.167 0.000 1.103 484 Y CA -0.419 57.639 58.100 -0.070 0.000 1.287 484 Y CB 0.498 38.930 38.460 -0.047 0.000 1.108 484 Y HN -0.059 nan 8.280 nan 0.000 0.529 485 K N -0.605 119.722 120.400 -0.121 0.000 3.564 485 K HA -0.258 4.060 4.320 -0.002 0.000 0.278 485 K C 0.400 176.756 176.600 -0.406 0.000 1.048 485 K CA 1.636 57.670 56.287 -0.422 0.000 1.109 485 K CB -1.933 30.006 32.500 -0.935 0.000 1.405 485 K HN 0.380 nan 8.250 nan 0.000 0.452 486 T N -0.673 113.779 114.554 -0.170 0.000 2.932 486 T HA 0.464 4.813 4.350 -0.002 0.000 0.318 486 T C -2.567 172.144 174.700 0.018 0.000 1.265 486 T CA -1.301 60.770 62.100 -0.047 0.000 1.036 486 T CB 2.319 71.214 68.868 0.045 0.000 1.209 486 T HN -0.243 nan 8.240 nan 0.000 0.484 487 P HA 0.091 nan 4.420 nan 0.000 0.223 487 P C 0.793 178.143 177.300 0.083 0.000 1.151 487 P CA 0.501 63.629 63.100 0.046 0.000 0.787 487 P CB 0.190 31.953 31.700 0.104 0.000 0.788 488 D N -0.973 119.473 120.400 0.076 0.000 2.309 488 D HA -0.085 4.553 4.640 -0.002 0.000 0.212 488 D C 1.136 177.463 176.300 0.045 0.000 0.968 488 D CA 0.901 54.941 54.000 0.066 0.000 0.882 488 D CB -0.344 40.492 40.800 0.060 0.000 0.918 488 D HN 0.113 nan 8.370 nan 0.000 0.503 489 N N 0.100 118.828 118.700 0.045 0.000 2.220 489 N HA 0.087 4.826 4.740 -0.002 0.000 0.195 489 N C 0.440 175.941 175.510 -0.014 0.000 1.123 489 N CA -0.116 52.974 53.050 0.068 0.000 0.874 489 N CB 0.633 39.236 38.487 0.193 0.000 0.995 489 N HN 0.343 nan 8.380 nan 0.000 0.498 490 I N -0.533 119.835 120.570 -0.338 0.000 2.533 490 I HA 0.163 4.331 4.170 -0.002 0.000 0.284 490 I C -0.320 175.652 176.117 -0.242 0.000 1.109 490 I CA -0.260 60.537 61.300 -0.838 0.000 1.412 490 I CB 0.463 37.922 38.000 -0.903 0.000 1.396 490 I HN -0.231 nan 8.210 nan 0.000 0.543 491 D N 6.523 126.857 120.400 -0.109 0.000 2.424 491 D HA 0.106 4.745 4.640 -0.002 0.000 0.244 491 D C 1.516 177.882 176.300 0.111 0.000 1.134 491 D CA 0.071 54.130 54.000 0.098 0.000 0.881 491 D CB 1.984 42.908 40.800 0.206 0.000 1.191 491 D HN 0.598 nan 8.370 nan 0.000 0.445 492 I N 0.619 121.283 120.570 0.157 0.000 2.151 492 I HA -0.279 3.890 4.170 -0.002 0.000 0.243 492 I C 2.401 178.624 176.117 0.178 0.000 1.080 492 I CA 1.046 62.451 61.300 0.175 0.000 1.339 492 I CB -0.373 37.666 38.000 0.064 0.000 1.039 492 I HN 0.579 nan 8.210 nan 0.000 0.409 493 W N 2.858 124.194 121.300 0.060 0.000 2.290 493 W HA -0.297 4.362 4.660 -0.002 0.000 0.323 493 W C 2.449 179.023 176.519 0.092 0.000 1.260 493 W CA 2.946 60.357 57.345 0.111 0.000 1.266 493 W CB -0.392 29.166 29.460 0.164 0.000 1.149 493 W HN 0.308 nan 8.180 nan 0.000 0.482 494 I N -2.069 118.545 120.570 0.072 0.000 2.584 494 I HA 0.198 4.367 4.170 -0.002 0.000 0.255 494 I C 2.297 178.296 176.117 -0.197 0.000 1.145 494 I CA 1.616 62.831 61.300 -0.142 0.000 1.462 494 I CB -1.509 36.519 38.000 0.047 0.000 1.102 494 I HN 0.035 nan 8.210 nan 0.000 0.433 495 G N 1.345 110.031 108.800 -0.191 0.000 2.402 495 G HA2 -0.095 3.863 3.960 -0.002 0.000 0.216 495 G HA3 -0.095 3.863 3.960 -0.002 0.000 0.216 495 G C 1.630 176.401 174.900 -0.215 0.000 1.162 495 G CA 0.800 45.632 45.100 -0.446 0.000 0.777 495 G HN 0.523 nan 8.290 nan 0.000 0.539 496 G N 0.431 109.252 108.800 0.036 0.000 2.396 496 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.214 496 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.214 496 G C 1.624 176.507 174.900 -0.028 0.000 1.166 496 G CA 0.762 45.921 45.100 0.099 0.000 0.793 496 G HN 0.498 nan 8.290 nan 0.000 0.533 497 N N 0.466 119.081 118.700 -0.142 0.000 2.459 497 N HA 0.101 4.839 4.740 -0.002 0.000 0.181 497 N C 2.176 177.592 175.510 -0.157 0.000 1.046 497 N CA 0.651 53.584 53.050 -0.194 0.000 0.904 497 N CB 0.015 38.249 38.487 -0.422 0.000 0.964 497 N HN 0.326 nan 8.380 nan 0.000 0.444 498 A N 0.475 123.203 122.820 -0.154 0.000 2.123 498 A HA 0.019 4.337 4.320 -0.002 0.000 0.214 498 A C 0.656 178.196 177.584 -0.072 0.000 1.152 498 A CA 0.322 52.287 52.037 -0.121 0.000 0.728 498 A CB 0.036 18.948 19.000 -0.148 0.000 0.814 498 A HN 0.257 nan 8.150 nan 0.000 0.464 499 E N 0.884 121.058 120.200 -0.043 0.000 2.418 499 E HA 0.187 4.536 4.350 -0.002 0.000 0.261 499 E C -2.376 174.219 176.600 -0.008 0.000 1.070 499 E CA -1.604 54.797 56.400 0.003 0.000 0.931 499 E CB 0.101 29.832 29.700 0.053 0.000 0.954 499 E HN 0.229 nan 8.360 nan 0.000 0.439 500 P HA 0.042 nan 4.420 nan 0.000 0.275 500 P C -0.590 176.707 177.300 -0.004 0.000 1.228 500 P CA 0.070 63.168 63.100 -0.003 0.000 0.786 500 P CB 0.525 32.226 31.700 0.002 0.000 0.927 501 M N 1.775 121.369 119.600 -0.011 0.000 2.238 501 M HA 0.100 4.579 4.480 -0.002 0.000 0.347 501 M C 0.727 177.019 176.300 -0.013 0.000 1.173 501 M CA -0.393 54.896 55.300 -0.018 0.000 1.147 501 M CB 0.429 33.019 32.600 -0.018 0.000 1.547 501 M HN 0.186 nan 8.290 nan 0.000 0.455 502 V N 0.401 120.305 119.914 -0.016 0.000 3.566 502 V HA 0.079 4.198 4.120 -0.002 0.000 0.301 502 V C 0.263 176.347 176.094 -0.016 0.000 1.105 502 V CA -0.573 61.723 62.300 -0.007 0.000 1.142 502 V CB 0.266 32.090 31.823 0.003 0.000 1.107 502 V HN 0.896 nan 8.190 nan 0.000 0.481 503 E N 0.885 121.078 120.200 -0.013 0.000 2.166 503 E HA 0.293 4.642 4.350 -0.002 0.000 0.279 503 E C 0.565 177.146 176.600 -0.031 0.000 1.095 503 E CA 0.175 56.563 56.400 -0.020 0.000 0.888 503 E CB 0.023 29.713 29.700 -0.016 0.000 1.041 503 E HN 0.724 nan 8.360 nan 0.000 0.414 504 R N 1.421 121.895 120.500 -0.042 0.000 3.489 504 R HA -0.143 4.196 4.340 -0.002 0.000 0.489 504 R C 0.473 176.726 176.300 -0.077 0.000 0.770 504 R CA 0.632 56.695 56.100 -0.061 0.000 1.404 504 R CB -1.598 28.666 30.300 -0.059 0.000 2.091 504 R HN 0.635 nan 8.270 nan 0.000 0.456 505 G N -0.651 108.110 108.800 -0.064 0.000 2.583 505 G HA2 0.537 4.496 3.960 -0.002 0.000 0.280 505 G HA3 0.537 4.496 3.960 -0.002 0.000 0.280 505 G C 0.369 175.236 174.900 -0.055 0.000 1.376 505 G CA -0.430 44.624 45.100 -0.076 0.000 1.043 505 G HN 0.026 nan 8.290 nan 0.000 0.538 506 R N -0.942 119.525 120.500 -0.056 0.000 2.549 506 R HA 0.236 4.574 4.340 -0.002 0.000 0.399 506 R C -0.050 176.174 176.300 -0.127 0.000 0.964 506 R CA -0.001 56.101 56.100 0.002 0.000 1.173 506 R CB 0.356 30.789 30.300 0.222 0.000 1.535 506 R HN 0.454 nan 8.270 nan 0.000 0.551 507 V N -3.743 116.045 119.914 -0.211 0.000 3.156 507 V HA 0.965 5.084 4.120 -0.002 0.000 0.311 507 V C 0.244 176.263 176.094 -0.126 0.000 1.208 507 V CA -1.059 61.087 62.300 -0.256 0.000 1.063 507 V CB 1.692 33.240 31.823 -0.459 0.000 1.098 507 V HN 0.031 nan 8.190 nan 0.000 0.452 508 G N -1.356 107.390 108.800 -0.090 0.000 2.597 508 G HA2 0.655 4.613 3.960 -0.002 0.000 0.317 508 G HA3 0.655 4.613 3.960 -0.002 0.000 0.317 508 G C -2.146 172.758 174.900 0.006 0.000 1.230 508 G CA -1.559 43.526 45.100 -0.024 0.000 0.996 508 G HN 0.571 nan 8.290 nan 0.000 0.490 509 P HA -0.212 nan 4.420 nan 0.000 0.221 509 P C 2.028 179.378 177.300 0.084 0.000 1.160 509 P CA 1.283 64.434 63.100 0.085 0.000 0.933 509 P CB 0.144 31.893 31.700 0.083 0.000 0.793 510 L N -2.258 119.007 121.223 0.070 0.000 2.109 510 L HA -0.025 4.314 4.340 -0.002 0.000 0.207 510 L C 2.122 179.001 176.870 0.015 0.000 1.086 510 L CA 1.716 56.596 54.840 0.066 0.000 0.760 510 L CB -1.377 40.738 42.059 0.094 0.000 0.910 510 L HN -0.155 nan 8.230 nan 0.000 0.437 511 L N -0.009 121.207 121.223 -0.011 0.000 2.131 511 L HA 0.142 4.481 4.340 -0.002 0.000 0.206 511 L C 2.537 179.327 176.870 -0.132 0.000 1.087 511 L CA 1.697 56.497 54.840 -0.067 0.000 0.767 511 L CB -1.058 40.946 42.059 -0.092 0.000 0.917 511 L HN 0.323 nan 8.230 nan 0.000 0.441 512 A N -1.724 121.018 122.820 -0.129 0.000 2.067 512 A HA -0.239 4.079 4.320 -0.002 0.000 0.219 512 A C 2.525 179.898 177.584 -0.352 0.000 1.158 512 A CA 1.442 53.391 52.037 -0.148 0.000 0.661 512 A CB -1.298 17.688 19.000 -0.022 0.000 0.801 512 A HN 0.624 nan 8.150 nan 0.000 0.452 513 c N -0.376 117.963 118.600 -0.435 0.000 2.541 513 c HA 0.001 4.570 4.570 -0.002 0.000 0.282 513 c C 2.528 176.229 174.090 -0.648 0.000 1.263 513 c CA 1.207 56.926 56.329 -1.017 0.000 1.709 513 c CB -1.528 40.655 42.510 -0.546 0.000 2.097 513 c HN 0.563 nan 8.230 nan 0.000 0.480 514 L N 0.830 121.952 121.223 -0.168 0.000 2.129 514 L HA -0.157 4.182 4.340 -0.002 0.000 0.212 514 L C 2.638 179.628 176.870 0.200 0.000 1.087 514 L CA 1.415 56.340 54.840 0.141 0.000 0.757 514 L CB -0.669 41.445 42.059 0.092 0.000 0.896 514 L HN 0.459 nan 8.230 nan 0.000 0.434 515 L N -0.664 120.601 121.223 0.070 0.000 1.993 515 L HA -0.069 4.269 4.340 -0.002 0.000 0.206 515 L C 2.712 179.768 176.870 0.309 0.000 1.074 515 L CA 1.477 56.456 54.840 0.230 0.000 0.746 515 L CB -1.157 40.946 42.059 0.073 0.000 0.896 515 L HN 0.281 nan 8.230 nan 0.000 0.435 516 G N -0.731 108.114 108.800 0.075 0.000 2.432 516 G HA2 -0.273 3.685 3.960 -0.002 0.000 0.219 516 G HA3 -0.273 3.685 3.960 -0.002 0.000 0.219 516 G C 1.725 176.727 174.900 0.170 0.000 1.135 516 G CA 0.434 45.625 45.100 0.151 0.000 0.767 516 G HN 0.213 nan 8.290 nan 0.000 0.550 517 R N -0.560 119.924 120.500 -0.026 0.000 2.280 517 R HA 0.038 4.377 4.340 -0.002 0.000 0.207 517 R C 2.357 178.707 176.300 0.082 0.000 1.043 517 R CA 1.150 57.243 56.100 -0.010 0.000 1.006 517 R CB 0.054 30.205 30.300 -0.248 0.000 0.885 517 R HN 0.435 nan 8.270 nan 0.000 0.467 518 Q N -1.061 118.850 119.800 0.185 0.000 2.388 518 Q HA 0.049 4.388 4.340 -0.002 0.000 0.204 518 Q C 1.184 177.161 176.000 -0.037 0.000 0.946 518 Q CA 1.122 56.967 55.803 0.071 0.000 0.880 518 Q CB -0.138 28.493 28.738 -0.178 0.000 0.997 518 Q HN 0.205 nan 8.270 nan 0.000 0.552 519 F N 1.649 121.655 119.950 0.093 0.000 2.307 519 F HA -0.161 4.365 4.527 -0.002 0.000 0.301 519 F C 2.397 178.405 175.800 0.346 0.000 1.076 519 F CA 1.623 59.738 58.000 0.192 0.000 1.383 519 F CB -0.214 38.796 39.000 0.016 0.000 1.055 519 F HN 0.338 nan 8.300 nan 0.000 0.526 520 Q N 0.555 120.580 119.800 0.376 0.000 2.049 520 Q HA -0.229 4.110 4.340 -0.002 0.000 0.198 520 Q C 2.016 178.109 176.000 0.154 0.000 0.971 520 Q CA 1.622 57.583 55.803 0.263 0.000 0.833 520 Q CB -0.272 28.593 28.738 0.212 0.000 0.896 520 Q HN 0.465 nan 8.270 nan 0.000 0.434 521 Q N 0.650 120.525 119.800 0.125 0.000 2.096 521 Q HA -0.160 4.179 4.340 -0.002 0.000 0.204 521 Q C 2.284 178.358 176.000 0.122 0.000 0.982 521 Q CA 1.949 57.809 55.803 0.093 0.000 0.850 521 Q CB -0.420 28.365 28.738 0.077 0.000 0.901 521 Q HN 0.681 nan 8.270 nan 0.000 0.422 522 I N -1.844 118.807 120.570 0.135 0.000 2.614 522 I HA -0.169 4.000 4.170 -0.002 0.000 0.258 522 I C 2.381 178.657 176.117 0.266 0.000 1.189 522 I CA 1.201 62.630 61.300 0.216 0.000 1.462 522 I CB -0.204 37.916 38.000 0.201 0.000 1.092 522 I HN 0.024 nan 8.210 nan 0.000 0.442 523 R N 1.220 121.746 120.500 0.043 0.000 2.064 523 R HA -0.063 4.275 4.340 -0.002 0.000 0.221 523 R C 1.582 177.753 176.300 -0.215 0.000 1.136 523 R CA 1.349 57.161 56.100 -0.480 0.000 0.980 523 R CB -0.067 29.611 30.300 -1.037 0.000 0.876 523 R HN 0.235 nan 8.270 nan 0.000 0.437 524 D N -0.409 119.974 120.400 -0.029 0.000 2.348 524 D HA -0.024 4.614 4.640 -0.002 0.000 0.216 524 D C 0.946 177.338 176.300 0.153 0.000 0.970 524 D CA 1.118 55.160 54.000 0.070 0.000 0.889 524 D CB 0.289 41.104 40.800 0.026 0.000 0.912 524 D HN 0.504 nan 8.370 nan 0.000 0.524 525 G N -0.382 108.557 108.800 0.231 0.000 3.774 525 G HA2 0.015 3.973 3.960 -0.002 0.000 0.287 525 G HA3 0.015 3.973 3.960 -0.002 0.000 0.287 525 G C -0.313 174.916 174.900 0.549 0.000 1.030 525 G CA -0.288 45.021 45.100 0.349 0.000 0.824 525 G HN -0.066 nan 8.290 nan 0.000 0.518 526 D N 0.379 121.062 120.400 0.472 0.000 2.461 526 D HA 0.208 4.847 4.640 -0.002 0.000 0.240 526 D C 1.362 177.633 176.300 -0.048 0.000 1.094 526 D CA -0.709 53.461 54.000 0.282 0.000 0.868 526 D CB 1.173 42.231 40.800 0.430 0.000 1.062 526 D HN 0.069 nan 8.370 nan 0.000 0.530 527 R N 2.409 122.604 120.500 -0.508 0.000 2.200 527 R HA -0.102 4.237 4.340 -0.002 0.000 0.234 527 R C 0.643 176.445 176.300 -0.830 0.000 1.127 527 R CA 1.314 56.730 56.100 -1.140 0.000 0.989 527 R CB 0.024 29.632 30.300 -1.153 0.000 0.869 527 R HN 0.357 nan 8.270 nan 0.000 0.459 528 F N -1.189 118.633 119.950 -0.213 0.000 2.639 528 F HA 0.142 4.667 4.527 -0.002 0.000 0.302 528 F C 0.397 176.229 175.800 0.053 0.000 1.097 528 F CA -0.895 57.035 58.000 -0.116 0.000 1.294 528 F CB 0.164 39.076 39.000 -0.147 0.000 1.027 528 F HN 0.082 nan 8.300 nan 0.000 0.550 529 W N 3.403 124.740 121.300 0.062 0.000 2.295 529 W HA -0.134 4.525 4.660 -0.002 0.000 0.335 529 W C 1.216 177.802 176.519 0.111 0.000 1.351 529 W CA -0.509 56.898 57.345 0.103 0.000 1.273 529 W CB 0.416 29.852 29.460 -0.040 0.000 1.214 529 W HN 0.501 nan 8.180 nan 0.000 0.563 530 W N 4.800 125.854 121.300 -0.409 0.000 2.318 530 W HA -0.240 4.419 4.660 -0.002 0.000 0.313 530 W C 1.129 177.660 176.519 0.019 0.000 1.221 530 W CA 1.723 59.033 57.345 -0.058 0.000 1.266 530 W CB -1.052 28.332 29.460 -0.127 0.000 1.150 530 W HN 0.470 nan 8.180 nan 0.000 0.496 531 E N 0.864 120.349 120.200 -1.193 0.000 2.409 531 E HA -0.159 4.189 4.350 -0.002 0.000 0.198 531 E C 0.235 176.835 176.600 0.001 0.000 1.024 531 E CA 0.122 56.040 56.400 -0.803 0.000 0.861 531 E CB -0.360 28.736 29.700 -1.007 0.000 0.788 531 E HN 0.149 nan 8.360 nan 0.000 0.521 532 N N 1.731 120.548 118.700 0.194 0.000 2.483 532 N HA 0.011 4.749 4.740 -0.002 0.000 0.264 532 N C -2.643 172.925 175.510 0.097 0.000 1.197 532 N CA -1.274 51.935 53.050 0.266 0.000 0.927 532 N CB 0.763 39.377 38.487 0.212 0.000 1.065 532 N HN -0.226 nan 8.380 nan 0.000 0.461 533 P HA 0.158 nan 4.420 nan 0.000 0.269 533 P C 0.687 177.977 177.300 -0.015 0.000 1.209 533 P CA 0.301 63.416 63.100 0.025 0.000 0.776 533 P CB 0.763 32.473 31.700 0.016 0.000 0.876 534 G N 0.291 109.076 108.800 -0.025 0.000 2.317 534 G HA2 -0.309 3.649 3.960 -0.002 0.000 0.227 534 G HA3 -0.309 3.649 3.960 -0.002 0.000 0.227 534 G C 1.041 175.882 174.900 -0.099 0.000 1.042 534 G CA 0.294 45.356 45.100 -0.062 0.000 0.623 534 G HN 0.384 nan 8.290 nan 0.000 0.509 535 V N 0.254 120.101 119.914 -0.112 0.000 2.237 535 V HA 0.232 4.351 4.120 -0.002 0.000 0.245 535 V C 1.353 177.186 176.094 -0.434 0.000 1.046 535 V CA 2.158 64.319 62.300 -0.231 0.000 1.007 535 V CB -0.472 31.257 31.823 -0.157 0.000 0.638 535 V HN 0.320 nan 8.190 nan 0.000 0.445 536 F N -0.520 119.461 119.950 0.052 0.000 2.546 536 F HA 0.484 5.010 4.527 -0.002 0.000 0.320 536 F C 0.670 176.439 175.800 -0.053 0.000 1.076 536 F CA -0.869 57.131 58.000 0.001 0.000 0.928 536 F CB 1.412 40.447 39.000 0.059 0.000 1.189 536 F HN -0.045 nan 8.300 nan 0.000 0.465 537 T N -2.103 112.493 114.554 0.070 0.000 2.900 537 T HA 0.064 4.412 4.350 -0.002 0.000 0.307 537 T C 1.016 175.719 174.700 0.006 0.000 1.065 537 T CA -0.421 61.676 62.100 -0.005 0.000 1.105 537 T CB 1.164 69.990 68.868 -0.071 0.000 0.979 537 T HN 0.874 nan 8.240 nan 0.000 0.544 538 E N 0.957 121.161 120.200 0.008 0.000 2.171 538 E HA -0.229 4.120 4.350 -0.002 0.000 0.197 538 E C 1.762 178.363 176.600 0.003 0.000 0.997 538 E CA 1.134 57.545 56.400 0.018 0.000 0.810 538 E CB 0.009 29.717 29.700 0.014 0.000 0.738 538 E HN 0.566 nan 8.360 nan 0.000 0.467 539 K N 0.268 120.648 120.400 -0.033 0.000 2.026 539 K HA -0.174 4.145 4.320 -0.002 0.000 0.208 539 K C 2.242 178.786 176.600 -0.092 0.000 1.048 539 K CA 1.389 57.646 56.287 -0.050 0.000 0.929 539 K CB -0.269 32.192 32.500 -0.066 0.000 0.713 539 K HN 0.313 nan 8.250 nan 0.000 0.439 540 Q N 0.195 119.864 119.800 -0.219 0.000 2.124 540 Q HA -0.084 4.255 4.340 -0.002 0.000 0.202 540 Q C 2.229 178.163 176.000 -0.110 0.000 0.977 540 Q CA 1.143 56.685 55.803 -0.435 0.000 0.850 540 Q CB -0.015 28.237 28.738 -0.811 0.000 0.901 540 Q HN 0.233 nan 8.270 nan 0.000 0.429 541 R N 0.531 121.043 120.500 0.020 0.000 2.075 541 R HA -0.099 4.240 4.340 -0.002 0.000 0.232 541 R C 1.386 177.784 176.300 0.165 0.000 1.126 541 R CA 1.177 57.375 56.100 0.164 0.000 0.963 541 R CB -0.081 30.339 30.300 0.200 0.000 0.858 541 R HN 0.276 nan 8.270 nan 0.000 0.435 542 D N 0.027 120.490 120.400 0.105 0.000 2.392 542 D HA -0.027 4.612 4.640 -0.002 0.000 0.228 542 D C 1.023 177.374 176.300 0.084 0.000 1.003 542 D CA 0.795 54.852 54.000 0.095 0.000 0.917 542 D CB 0.343 41.183 40.800 0.067 0.000 0.890 542 D HN 0.176 nan 8.370 nan 0.000 0.532 543 S N -0.231 115.528 115.700 0.098 0.000 2.502 543 S HA 0.102 4.571 4.470 -0.002 0.000 0.228 543 S C 2.090 176.738 174.600 0.079 0.000 1.061 543 S CA -0.198 58.070 58.200 0.113 0.000 0.935 543 S CB 0.310 63.640 63.200 0.217 0.000 0.809 543 S HN 0.174 nan 8.310 nan 0.000 0.510 544 L N 1.681 122.945 121.223 0.069 0.000 2.376 544 L HA -0.013 4.325 4.340 -0.002 0.000 0.219 544 L C 2.422 179.212 176.870 -0.134 0.000 1.133 544 L CA 0.843 55.649 54.840 -0.057 0.000 0.816 544 L CB -0.433 41.539 42.059 -0.146 0.000 0.933 544 L HN 0.331 nan 8.230 nan 0.000 0.449 545 Q N -0.138 119.651 119.800 -0.018 0.000 2.291 545 Q HA -0.189 4.150 4.340 -0.002 0.000 0.205 545 Q C 1.915 177.901 176.000 -0.025 0.000 0.970 545 Q CA 1.158 56.959 55.803 -0.003 0.000 0.876 545 Q CB 0.100 28.901 28.738 0.106 0.000 0.935 545 Q HN 0.421 nan 8.270 nan 0.000 0.455 546 K N 0.149 120.540 120.400 -0.015 0.000 2.314 546 K HA 0.025 4.343 4.320 -0.002 0.000 0.198 546 K C 0.614 177.198 176.600 -0.027 0.000 1.045 546 K CA 0.096 56.376 56.287 -0.011 0.000 0.988 546 K CB 0.375 32.879 32.500 0.005 0.000 0.783 546 K HN 0.084 nan 8.250 nan 0.000 0.484 547 V N 0.438 120.328 119.914 -0.039 0.000 2.999 547 V HA 0.147 4.266 4.120 -0.002 0.000 0.307 547 V C -0.071 175.994 176.094 -0.049 0.000 1.084 547 V CA -0.510 61.786 62.300 -0.007 0.000 1.155 547 V CB 1.105 32.974 31.823 0.076 0.000 0.975 547 V HN 0.235 nan 8.190 nan 0.000 0.490 548 S N 2.062 117.773 115.700 0.018 0.000 2.565 548 S HA 0.517 4.986 4.470 -0.002 0.000 0.269 548 S C -0.215 174.452 174.600 0.111 0.000 1.153 548 S CA -0.357 57.844 58.200 0.002 0.000 0.835 548 S CB 1.178 64.378 63.200 0.000 0.000 1.122 548 S HN 0.812 nan 8.310 nan 0.000 0.462 549 F N 2.079 122.008 119.950 -0.035 0.000 2.216 549 F HA -0.067 4.458 4.527 -0.002 0.000 0.300 549 F C 2.482 178.272 175.800 -0.017 0.000 1.085 549 F CA 2.125 60.126 58.000 0.002 0.000 1.326 549 F CB -0.362 38.536 39.000 -0.170 0.000 1.027 549 F HN 0.678 nan 8.300 nan 0.000 0.497 550 S N 0.135 115.908 115.700 0.123 0.000 2.372 550 S HA -0.320 4.149 4.470 -0.002 0.000 0.227 550 S C 1.974 176.552 174.600 -0.037 0.000 1.044 550 S CA 1.736 59.952 58.200 0.028 0.000 1.050 550 S CB -0.434 62.752 63.200 -0.023 0.000 0.901 550 S HN 0.294 nan 8.310 nan 0.000 0.447 551 R N 1.105 121.581 120.500 -0.040 0.000 2.066 551 R HA 0.048 4.386 4.340 -0.002 0.000 0.232 551 R C 2.182 178.398 176.300 -0.141 0.000 1.131 551 R CA 1.012 57.071 56.100 -0.069 0.000 0.955 551 R CB -1.074 29.204 30.300 -0.036 0.000 0.851 551 R HN 0.362 nan 8.270 nan 0.000 0.432 552 L N 1.191 122.296 121.223 -0.196 0.000 2.064 552 L HA -0.173 4.166 4.340 -0.002 0.000 0.216 552 L C 1.734 178.389 176.870 -0.358 0.000 1.077 552 L CA 2.107 56.723 54.840 -0.373 0.000 0.766 552 L CB -0.479 41.219 42.059 -0.601 0.000 0.890 552 L HN 0.496 nan 8.230 nan 0.000 0.435 553 I N -4.739 115.636 120.570 -0.325 0.000 3.810 553 I HA 0.046 4.215 4.170 -0.002 0.000 0.322 553 I C 1.358 177.394 176.117 -0.134 0.000 1.288 553 I CA 0.045 61.215 61.300 -0.216 0.000 1.143 553 I CB -0.768 37.156 38.000 -0.128 0.000 1.012 553 I HN 0.151 nan 8.210 nan 0.000 0.423 554 c N 0.625 119.143 118.600 -0.136 0.000 2.464 554 c HA 0.153 4.722 4.570 -0.002 0.000 0.348 554 c C 1.956 175.959 174.090 -0.146 0.000 1.367 554 c CA 0.256 56.519 56.329 -0.110 0.000 2.012 554 c CB -0.276 42.189 42.510 -0.075 0.000 2.434 554 c HN 0.483 nan 8.230 nan 0.000 0.536 555 D N 1.362 121.666 120.400 -0.161 0.000 2.371 555 D HA -0.014 4.625 4.640 -0.002 0.000 0.221 555 D C 1.134 177.316 176.300 -0.197 0.000 0.986 555 D CA 0.946 54.844 54.000 -0.169 0.000 0.899 555 D CB -0.280 40.418 40.800 -0.169 0.000 0.902 555 D HN 0.507 nan 8.370 nan 0.000 0.530 556 N N -1.082 117.488 118.700 -0.217 0.000 2.082 556 N HA 0.058 4.797 4.740 -0.002 0.000 0.228 556 N C -0.061 175.314 175.510 -0.225 0.000 1.341 556 N CA 0.140 53.059 53.050 -0.219 0.000 0.873 556 N CB 1.728 40.082 38.487 -0.220 0.000 1.137 556 N HN -0.014 nan 8.380 nan 0.000 0.505 557 T N -1.652 112.753 114.554 -0.248 0.000 2.645 557 T HA 0.343 4.692 4.350 -0.002 0.000 0.273 557 T C -0.327 174.142 174.700 -0.386 0.000 0.960 557 T CA -0.276 61.683 62.100 -0.234 0.000 1.051 557 T CB 1.441 70.232 68.868 -0.129 0.000 1.366 557 T HN 0.002 nan 8.240 nan 0.000 0.536 558 H N -0.496 118.504 119.070 -0.117 0.000 2.475 558 H HA 0.476 5.031 4.556 -0.002 0.000 0.276 558 H C -0.213 175.049 175.328 -0.110 0.000 1.126 558 H CA -0.143 55.828 56.048 -0.130 0.000 1.023 558 H CB -0.101 29.537 29.762 -0.207 0.000 1.669 558 H HN 0.231 nan 8.280 nan 0.000 0.573 559 I N 1.113 121.675 120.570 -0.013 0.000 2.428 559 I HA 0.121 4.290 4.170 -0.002 0.000 0.289 559 I C 0.714 176.861 176.117 0.049 0.000 1.019 559 I CA -0.052 61.261 61.300 0.022 0.000 1.351 559 I CB 1.498 39.530 38.000 0.053 0.000 1.412 559 I HN 0.214 nan 8.210 nan 0.000 0.513 560 T N 0.592 115.200 114.554 0.089 0.000 3.288 560 T HA 0.326 4.675 4.350 -0.002 0.000 0.293 560 T C 0.102 174.887 174.700 0.141 0.000 1.008 560 T CA -0.502 61.650 62.100 0.087 0.000 0.929 560 T CB -0.048 68.858 68.868 0.063 0.000 1.152 560 T HN 0.365 nan 8.240 nan 0.000 0.517 561 K N 2.021 122.560 120.400 0.232 0.000 2.565 561 K HA 0.621 4.940 4.320 -0.002 0.000 0.249 561 K C -1.166 175.726 176.600 0.486 0.000 0.958 561 K CA -0.476 56.019 56.287 0.345 0.000 0.806 561 K CB 2.657 35.410 32.500 0.421 0.000 1.194 561 K HN 0.305 nan 8.250 nan 0.000 0.434 562 V N 0.091 120.194 119.914 0.316 0.000 3.048 562 V HA 0.679 4.798 4.120 -0.002 0.000 0.303 562 V C -2.790 173.135 176.094 -0.281 0.000 1.214 562 V CA -2.212 60.145 62.300 0.095 0.000 0.984 562 V CB 2.178 34.034 31.823 0.054 0.000 1.054 562 V HN 0.475 nan 8.190 nan 0.000 0.430 563 P HA 0.464 nan 4.420 nan 0.000 0.276 563 P C 0.508 177.623 177.300 -0.307 0.000 1.252 563 P CA -0.434 62.335 63.100 -0.551 0.000 0.802 563 P CB 1.867 33.172 31.700 -0.659 0.000 1.035 564 L N 0.233 121.266 121.223 -0.316 0.000 2.049 564 L HA -0.005 4.334 4.340 -0.002 0.000 0.203 564 L C 1.258 177.889 176.870 -0.398 0.000 1.074 564 L CA 1.122 55.732 54.840 -0.383 0.000 0.749 564 L CB -0.662 41.077 42.059 -0.534 0.000 0.907 564 L HN 0.407 nan 8.230 nan 0.000 0.439 565 H N -0.018 119.015 119.070 -0.063 0.000 2.787 565 H HA 0.313 4.868 4.556 -0.002 0.000 0.275 565 H C 0.504 175.821 175.328 -0.019 0.000 1.183 565 H CA 0.037 56.081 56.048 -0.006 0.000 1.290 565 H CB 1.008 30.767 29.762 -0.006 0.000 1.438 565 H HN 0.137 nan 8.280 nan 0.000 0.487 566 A N 2.562 125.422 122.820 0.067 0.000 2.259 566 A HA 0.068 4.386 4.320 -0.002 0.000 0.208 566 A C 0.953 178.407 177.584 -0.216 0.000 1.201 566 A CA 0.140 52.117 52.037 -0.101 0.000 0.824 566 A CB -0.439 18.475 19.000 -0.142 0.000 0.838 566 A HN 0.455 nan 8.150 nan 0.000 0.485 567 F N -0.035 119.909 119.950 -0.011 0.000 2.717 567 F HA 0.120 4.645 4.527 -0.002 0.000 0.295 567 F C 1.521 177.300 175.800 -0.036 0.000 1.117 567 F CA 0.109 58.117 58.000 0.012 0.000 1.361 567 F CB 0.328 39.351 39.000 0.039 0.000 1.112 567 F HN 0.373 nan 8.300 nan 0.000 0.594 568 Q N 1.098 120.961 119.800 0.105 0.000 2.193 568 Q HA 0.654 4.992 4.340 -0.002 0.000 0.246 568 Q C -0.240 175.770 176.000 0.016 0.000 0.959 568 Q CA -0.985 54.826 55.803 0.013 0.000 0.904 568 Q CB 1.591 30.323 28.738 -0.011 0.000 1.238 568 Q HN 0.049 nan 8.270 nan 0.000 0.469 569 A N 2.736 125.563 122.820 0.011 0.000 2.524 569 A HA 0.158 4.477 4.320 -0.002 0.000 0.250 569 A C -0.504 177.105 177.584 0.041 0.000 1.078 569 A CA -0.282 51.777 52.037 0.037 0.000 0.761 569 A CB -0.292 18.733 19.000 0.041 0.000 1.012 569 A HN 0.750 nan 8.150 nan 0.000 0.500 570 N N 2.014 120.750 118.700 0.060 0.000 2.404 570 N HA 0.339 5.078 4.740 -0.002 0.000 0.297 570 N C -1.194 174.427 175.510 0.186 0.000 1.163 570 N CA -0.627 52.458 53.050 0.058 0.000 0.864 570 N CB 1.536 39.966 38.487 -0.094 0.000 1.247 570 N HN 0.612 nan 8.380 nan 0.000 0.510 571 N N 1.202 120.035 118.700 0.221 0.000 2.664 571 N HA 0.112 4.851 4.740 -0.002 0.000 0.257 571 N C -1.430 174.248 175.510 0.281 0.000 1.108 571 N CA -0.337 52.852 53.050 0.230 0.000 0.822 571 N CB 0.497 39.077 38.487 0.155 0.000 1.199 571 N HN 0.489 nan 8.380 nan 0.000 0.529 572 Y N 3.792 124.177 120.300 0.143 0.000 2.511 572 Y HA 0.187 4.736 4.550 -0.002 0.000 0.332 572 Y C -0.917 174.974 175.900 -0.016 0.000 1.177 572 Y CA -0.436 57.613 58.100 -0.085 0.000 1.422 572 Y CB 0.951 39.081 38.460 -0.549 0.000 1.271 572 Y HN 0.477 nan 8.280 nan 0.000 0.550 573 P HA -0.075 nan 4.420 nan 0.000 0.238 573 P C 1.350 178.435 177.300 -0.358 0.000 1.183 573 P CA 1.083 63.535 63.100 -1.080 0.000 0.813 573 P CB 0.010 31.179 31.700 -0.886 0.000 0.944 574 H N 1.419 120.390 119.070 -0.166 0.000 2.290 574 H HA -0.134 4.421 4.556 -0.002 0.000 0.298 574 H C 0.709 176.027 175.328 -0.016 0.000 1.087 574 H CA 1.911 57.916 56.048 -0.073 0.000 1.291 574 H CB -0.237 29.500 29.762 -0.041 0.000 1.369 574 H HN -0.052 nan 8.280 nan 0.000 0.492 575 D N 0.051 120.366 120.400 -0.141 0.000 2.351 575 D HA -0.056 4.582 4.640 -0.002 0.000 0.216 575 D C -0.062 176.056 176.300 -0.302 0.000 0.968 575 D CA 0.485 54.333 54.000 -0.253 0.000 0.899 575 D CB -0.412 40.327 40.800 -0.101 0.000 0.907 575 D HN 0.148 nan 8.370 nan 0.000 0.514 576 F N 0.245 120.046 119.950 -0.247 0.000 2.404 576 F HA 0.307 4.832 4.527 -0.002 0.000 0.339 576 F C 0.665 176.367 175.800 -0.164 0.000 1.105 576 F CA -1.026 56.870 58.000 -0.174 0.000 1.087 576 F CB 1.351 40.267 39.000 -0.139 0.000 1.143 576 F HN -0.320 nan 8.300 nan 0.000 0.491 577 V N -0.591 119.335 119.914 0.021 0.000 3.040 577 V HA 0.550 4.668 4.120 -0.002 0.000 0.312 577 V C -0.835 175.284 176.094 0.040 0.000 1.115 577 V CA -1.163 61.134 62.300 -0.005 0.000 0.998 577 V CB 1.784 33.567 31.823 -0.068 0.000 1.042 577 V HN 0.587 nan 8.190 nan 0.000 0.433 578 D N 0.955 121.374 120.400 0.030 0.000 2.423 578 D HA 0.166 4.805 4.640 -0.002 0.000 0.238 578 D C 1.046 177.357 176.300 0.018 0.000 1.142 578 D CA 0.373 54.396 54.000 0.039 0.000 0.884 578 D CB 1.329 42.145 40.800 0.027 0.000 1.199 578 D HN 0.733 nan 8.370 nan 0.000 0.438 579 c N 1.590 120.203 118.600 0.022 0.000 2.409 579 c HA -0.149 4.419 4.570 -0.002 0.000 0.284 579 c C 2.645 176.726 174.090 -0.015 0.000 1.354 579 c CA 1.198 57.527 56.329 -0.001 0.000 1.787 579 c CB -1.568 40.938 42.510 -0.006 0.000 1.900 579 c HN 0.773 nan 8.230 nan 0.000 0.520 580 S N 1.453 117.148 115.700 -0.010 0.000 2.399 580 S HA -0.085 4.384 4.470 -0.002 0.000 0.231 580 S C 1.886 176.475 174.600 -0.019 0.000 1.022 580 S CA 1.272 59.464 58.200 -0.014 0.000 0.983 580 S CB -0.445 62.750 63.200 -0.008 0.000 0.803 580 S HN 0.649 nan 8.310 nan 0.000 0.480 581 A N 1.425 124.232 122.820 -0.022 0.000 2.168 581 A HA 0.384 4.702 4.320 -0.002 0.000 0.215 581 A C 1.116 178.675 177.584 -0.042 0.000 1.152 581 A CA 0.669 52.687 52.037 -0.031 0.000 0.716 581 A CB -0.741 18.237 19.000 -0.036 0.000 0.794 581 A HN 0.842 nan 8.150 nan 0.000 0.465 582 V N -2.352 117.536 119.914 -0.043 0.000 2.612 582 V HA 0.493 4.612 4.120 -0.002 0.000 0.301 582 V C -0.869 175.201 176.094 -0.040 0.000 1.046 582 V CA -1.429 60.841 62.300 -0.051 0.000 0.946 582 V CB 1.187 32.974 31.823 -0.060 0.000 1.003 582 V HN 0.125 nan 8.190 nan 0.000 0.459 583 D N 2.934 123.311 120.400 -0.037 0.000 2.455 583 D HA 0.239 4.878 4.640 -0.002 0.000 0.241 583 D C 0.187 176.471 176.300 -0.028 0.000 1.138 583 D CA 0.385 54.369 54.000 -0.026 0.000 0.877 583 D CB 0.762 41.551 40.800 -0.019 0.000 1.187 583 D HN 0.593 nan 8.370 nan 0.000 0.451 584 K N 1.155 121.539 120.400 -0.026 0.000 2.087 584 K HA 0.310 4.629 4.320 -0.002 0.000 0.255 584 K C -0.201 176.383 176.600 -0.026 0.000 0.988 584 K CA -1.083 55.184 56.287 -0.034 0.000 0.915 584 K CB 1.389 33.867 32.500 -0.036 0.000 1.043 584 K HN 0.226 nan 8.250 nan 0.000 0.457 585 L N 2.404 123.601 121.223 -0.042 0.000 2.369 585 L HA 0.087 4.425 4.340 -0.002 0.000 0.279 585 L C -0.339 176.512 176.870 -0.032 0.000 1.108 585 L CA 0.214 55.029 54.840 -0.041 0.000 0.852 585 L CB 0.163 42.170 42.059 -0.087 0.000 1.169 585 L HN 0.398 nan 8.230 nan 0.000 0.452 586 D N 4.910 125.321 120.400 0.019 0.000 2.339 586 D HA 0.105 4.743 4.640 -0.002 0.000 0.241 586 D C 0.658 177.024 176.300 0.111 0.000 1.183 586 D CA 0.108 54.137 54.000 0.048 0.000 0.859 586 D CB 0.803 41.642 40.800 0.065 0.000 1.067 586 D HN 0.686 nan 8.370 nan 0.000 0.484 587 L N 2.913 124.169 121.223 0.054 0.000 2.611 587 L HA -0.034 4.305 4.340 -0.002 0.000 0.229 587 L C 2.212 179.226 176.870 0.240 0.000 1.137 587 L CA -0.002 54.890 54.840 0.086 0.000 0.901 587 L CB -0.037 41.945 42.059 -0.128 0.000 1.098 587 L HN 0.346 nan 8.230 nan 0.000 0.456 588 S N 0.200 116.006 115.700 0.177 0.000 2.382 588 S HA -0.050 4.419 4.470 -0.002 0.000 0.228 588 S C -0.591 174.108 174.600 0.165 0.000 1.027 588 S CA 0.548 58.827 58.200 0.132 0.000 0.991 588 S CB -1.470 61.772 63.200 0.071 0.000 0.823 588 S HN 0.235 nan 8.310 nan 0.000 0.469 589 P HA 0.013 nan 4.420 nan 0.000 0.234 589 P C 0.613 177.913 177.300 0.001 0.000 1.167 589 P CA 0.636 63.765 63.100 0.048 0.000 0.763 589 P CB -0.264 31.396 31.700 -0.067 0.000 0.835 590 W N -0.271 121.060 121.300 0.052 0.000 3.197 590 W HA 0.362 5.021 4.660 -0.002 0.000 0.274 590 W C 0.593 177.110 176.519 -0.003 0.000 1.297 590 W CA -0.366 57.035 57.345 0.093 0.000 1.662 590 W CB 0.005 29.532 29.460 0.111 0.000 1.106 590 W HN -0.133 nan 8.180 nan 0.000 0.663 591 A N 1.268 124.166 122.820 0.130 0.000 2.488 591 A HA 0.298 4.617 4.320 -0.002 0.000 0.249 591 A C 0.182 177.780 177.584 0.023 0.000 1.083 591 A CA 0.545 52.578 52.037 -0.007 0.000 0.768 591 A CB 0.489 19.487 19.000 -0.002 0.000 1.017 591 A HN -0.020 nan 8.150 nan 0.000 0.496 592 S N 2.797 118.499 115.700 0.004 0.000 2.609 592 S HA 0.487 4.956 4.470 -0.002 0.000 0.250 592 S C -0.446 174.248 174.600 0.156 0.000 1.112 592 S CA -0.697 57.575 58.200 0.120 0.000 1.102 592 S CB 0.291 63.656 63.200 0.275 0.000 1.124 592 S HN 0.825 nan 8.310 nan 0.000 0.460 593 R N 1.710 122.249 120.500 0.066 0.000 2.797 593 R HA 0.518 4.857 4.340 -0.002 0.000 0.251 593 R C 0.688 176.959 176.300 -0.049 0.000 1.107 593 R CA -0.924 55.156 56.100 -0.034 0.000 1.084 593 R CB 0.507 30.787 30.300 -0.034 0.000 1.205 593 R HN 0.496 nan 8.270 nan 0.000 0.515 594 E N 0.952 121.085 120.200 -0.112 0.000 2.008 594 E HA -0.054 4.294 4.350 -0.002 0.000 0.191 594 E C 0.229 176.813 176.600 -0.026 0.000 0.986 594 E CA 1.364 57.718 56.400 -0.076 0.000 0.807 594 E CB -0.307 29.333 29.700 -0.101 0.000 0.766 594 E HN 0.390 nan 8.360 nan 0.000 0.450 595 N N 0.000 118.685 118.700 -0.025 0.000 1.763 595 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 595 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 595 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667