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 2e9e_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 LVYGSEPSLA 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 0.000 174.784 174.600 0.306 0.000 1.055 1 S CA 0.000 58.291 58.200 0.152 0.000 1.107 1 S CB 0.000 63.284 63.200 0.140 0.000 0.593 2 W N 1.318 122.641 121.300 0.038 0.000 3.256 2 W HA 0.613 5.272 4.660 -0.001 0.000 0.324 2 W C -0.944 175.606 176.519 0.051 0.000 1.196 2 W CA -0.341 57.027 57.345 0.039 0.000 1.206 2 W CB 1.338 30.818 29.460 0.034 0.000 1.385 2 W HN 0.911 nan 8.180 nan 0.000 0.522 3 E N 2.075 122.199 120.200 -0.126 0.000 2.446 3 E HA -0.166 4.184 4.350 -0.000 0.000 0.162 3 E C 1.024 177.616 176.600 -0.014 0.000 1.797 3 E CA 1.177 57.483 56.400 -0.157 0.000 0.619 3 E CB -0.624 28.923 29.700 -0.254 0.000 1.050 3 E HN 0.571 nan 8.360 nan 0.000 0.321 4 V N 0.168 120.090 119.914 0.013 0.000 3.546 4 V HA 0.149 4.268 4.120 -0.000 0.000 0.272 4 V C 1.122 177.229 176.094 0.021 0.000 1.228 4 V CA 1.310 63.632 62.300 0.038 0.000 1.184 4 V CB 0.229 32.080 31.823 0.047 0.000 0.886 4 V HN 0.478 nan 8.190 nan 0.000 0.508 5 G N -1.306 107.492 108.800 -0.004 0.000 4.677 5 G HA2 0.312 4.271 3.960 -0.000 0.000 0.225 5 G HA3 0.312 4.271 3.960 -0.000 0.000 0.225 5 G C -0.352 174.531 174.900 -0.028 0.000 0.876 5 G CA -0.004 45.090 45.100 -0.009 0.000 0.652 5 G HN 0.317 nan 8.290 nan 0.000 0.481 6 c N -0.038 118.547 118.600 -0.024 0.000 2.553 6 c HA 0.941 5.511 4.570 -0.000 0.000 0.345 6 c C 1.134 175.199 174.090 -0.042 0.000 1.369 6 c CA 1.403 57.708 56.329 -0.040 0.000 2.447 6 c CB 0.730 43.223 42.510 -0.027 0.000 2.358 6 c HN 1.315 nan 8.230 nan 0.000 0.676 7 G N 0.075 108.833 108.800 -0.070 0.000 2.318 7 G HA2 0.596 4.556 3.960 -0.000 0.000 0.302 7 G HA3 0.596 4.556 3.960 -0.000 0.000 0.302 7 G C -1.359 173.489 174.900 -0.086 0.000 1.633 7 G CA 0.223 45.281 45.100 -0.071 0.000 0.965 7 G HN 1.388 nan 8.290 nan 0.000 0.698 8 A N 1.645 124.408 122.820 -0.095 0.000 2.552 8 A HA 1.026 5.346 4.320 -0.000 0.000 0.288 8 A C -1.807 175.730 177.584 -0.079 0.000 1.193 8 A CA -0.544 51.435 52.037 -0.098 0.000 0.713 8 A CB 0.694 19.609 19.000 -0.141 0.000 1.305 8 A HN 1.049 nan 8.150 nan 0.000 0.424 9 P HA -0.181 nan 4.420 nan 0.000 0.178 9 P C 0.223 177.504 177.300 -0.033 0.000 1.145 9 P CA 1.525 64.594 63.100 -0.052 0.000 0.668 9 P CB -1.292 30.372 31.700 -0.060 0.000 0.631 10 V N 0.117 120.012 119.914 -0.031 0.000 2.486 10 V HA -0.009 4.111 4.120 -0.000 0.000 0.290 10 V C -0.867 175.223 176.094 -0.007 0.000 0.991 10 V CA -0.355 61.937 62.300 -0.013 0.000 1.142 10 V CB -0.819 30.998 31.823 -0.010 0.000 0.926 10 V HN 0.154 nan 8.190 nan 0.000 0.472 11 P HA 0.455 nan 4.420 nan 0.000 0.332 11 P C 0.939 178.244 177.300 0.008 0.000 1.298 11 P CA -0.811 62.291 63.100 0.003 0.000 0.755 11 P CB 0.233 31.937 31.700 0.007 0.000 1.465 12 L N -1.830 119.397 121.223 0.007 0.000 2.199 12 L HA -0.195 4.145 4.340 -0.000 0.000 0.248 12 L C 0.825 177.703 176.870 0.013 0.000 1.116 12 L CA 1.717 56.562 54.840 0.008 0.000 0.843 12 L CB -2.479 39.585 42.059 0.008 0.000 0.961 12 L HN 0.213 nan 8.230 nan 0.000 0.441 13 V N -4.170 115.756 119.914 0.020 0.000 3.203 13 V HA 0.587 4.707 4.120 -0.000 0.000 0.305 13 V C -0.089 176.023 176.094 0.030 0.000 1.361 13 V CA -0.396 61.917 62.300 0.022 0.000 1.066 13 V CB 1.492 33.326 31.823 0.018 0.000 1.085 13 V HN 0.502 nan 8.190 nan 0.000 0.456 14 T N 0.109 114.680 114.554 0.028 0.000 2.934 14 T HA 0.332 4.681 4.350 -0.000 0.000 0.283 14 T C -0.120 174.599 174.700 0.032 0.000 1.005 14 T CA -0.243 61.876 62.100 0.032 0.000 1.041 14 T CB 0.964 69.848 68.868 0.026 0.000 1.042 14 T HN 0.861 nan 8.240 nan 0.000 0.505 15 c N 2.180 120.802 118.600 0.038 0.000 2.592 15 c HA 0.036 4.606 4.570 -0.000 0.000 0.408 15 c C 1.769 175.879 174.090 0.032 0.000 1.436 15 c CA -0.438 55.915 56.329 0.041 0.000 1.595 15 c CB -1.314 41.224 42.510 0.047 0.000 2.487 15 c HN 0.946 nan 8.230 nan 0.000 0.610 16 D N 0.500 120.919 120.400 0.032 0.000 2.390 16 D HA -0.040 4.600 4.640 -0.000 0.000 0.235 16 D C 1.614 177.927 176.300 0.020 0.000 1.040 16 D CA 0.710 54.724 54.000 0.024 0.000 0.923 16 D CB -0.043 40.772 40.800 0.025 0.000 0.886 16 D HN 0.782 nan 8.370 nan 0.000 0.532 17 E N -0.646 119.570 120.200 0.027 0.000 3.616 17 E HA -0.340 4.010 4.350 -0.000 0.000 0.275 17 E C 0.677 177.282 176.600 0.009 0.000 0.689 17 E CA 1.716 58.129 56.400 0.021 0.000 0.942 17 E CB -0.528 29.180 29.700 0.015 0.000 1.505 17 E HN 0.399 nan 8.360 nan 0.000 0.443 18 Q N -1.232 118.569 119.800 0.002 0.000 2.081 18 Q HA 0.194 4.534 4.340 -0.000 0.000 0.220 18 Q C -0.099 175.881 176.000 -0.034 0.000 0.775 18 Q CA 0.586 56.378 55.803 -0.018 0.000 0.983 18 Q CB 1.130 29.855 28.738 -0.022 0.000 1.188 18 Q HN 0.168 nan 8.270 nan 0.000 0.458 19 S N 2.705 118.396 115.700 -0.016 0.000 2.558 19 S HA 0.090 4.560 4.470 -0.000 0.000 0.288 19 S C -1.607 172.937 174.600 -0.093 0.000 1.318 19 S CA -0.687 57.480 58.200 -0.056 0.000 1.056 19 S CB 0.700 63.899 63.200 -0.002 0.000 0.853 19 S HN -0.006 nan 8.310 nan 0.000 0.505 20 P HA 0.190 nan 4.420 nan 0.000 0.249 20 P C -1.039 176.011 177.300 -0.418 0.000 1.229 20 P CA 0.435 63.288 63.100 -0.412 0.000 0.788 20 P CB 0.015 31.290 31.700 -0.708 0.000 1.072 21 Y N -0.210 120.024 120.300 -0.110 0.000 2.468 21 Y HA 0.444 4.994 4.550 -0.000 0.000 0.342 21 Y C 1.105 176.626 175.900 -0.631 0.000 1.021 21 Y CA -1.713 56.179 58.100 -0.347 0.000 1.079 21 Y CB 1.104 39.428 38.460 -0.226 0.000 1.226 21 Y HN -0.321 nan 8.280 nan 0.000 0.460 22 R N 0.360 120.418 120.500 -0.736 0.000 2.694 22 R HA 0.295 4.635 4.340 -0.000 0.000 0.268 22 R C 0.221 176.350 176.300 -0.284 0.000 1.061 22 R CA -0.243 55.408 56.100 -0.749 0.000 1.133 22 R CB 0.138 30.066 30.300 -0.621 0.000 1.020 22 R HN 0.771 nan 8.270 nan 0.000 0.475 23 T N -1.028 113.424 114.554 -0.171 0.000 2.813 23 T HA 0.120 4.469 4.350 -0.000 0.000 0.297 23 T C 1.383 176.069 174.700 -0.024 0.000 1.036 23 T CA -0.648 61.421 62.100 -0.051 0.000 1.044 23 T CB 0.600 69.472 68.868 0.006 0.000 0.993 23 T HN 0.402 nan 8.240 nan 0.000 0.535 24 I N 1.640 122.221 120.570 0.017 0.000 2.439 24 I HA -0.077 4.093 4.170 -0.000 0.000 0.251 24 I C 2.846 179.010 176.117 0.079 0.000 1.139 24 I CA 1.654 62.985 61.300 0.052 0.000 1.438 24 I CB -0.506 37.532 38.000 0.064 0.000 1.085 24 I HN 0.999 nan 8.210 nan 0.000 0.427 25 T N -2.994 111.604 114.554 0.075 0.000 3.067 25 T HA 0.281 4.631 4.350 -0.000 0.000 0.257 25 T C 1.708 176.492 174.700 0.139 0.000 1.105 25 T CA 0.553 62.709 62.100 0.094 0.000 1.104 25 T CB 0.140 69.053 68.868 0.074 0.000 0.925 25 T HN 0.459 nan 8.240 nan 0.000 0.498 26 G N 1.270 110.157 108.800 0.144 0.000 2.213 26 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.236 26 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.236 26 G C -0.167 174.879 174.900 0.243 0.000 0.991 26 G CA -0.025 45.223 45.100 0.246 0.000 0.629 26 G HN 0.592 nan 8.290 nan 0.000 0.517 27 D N -0.394 120.104 120.400 0.163 0.000 2.406 27 D HA 0.253 4.893 4.640 -0.000 0.000 0.234 27 D C 1.490 177.863 176.300 0.122 0.000 1.196 27 D CA 1.326 55.411 54.000 0.142 0.000 0.881 27 D CB 0.695 41.553 40.800 0.097 0.000 1.205 27 D HN 0.782 nan 8.370 nan 0.000 0.453 28 c N 0.701 119.377 118.600 0.126 0.000 4.784 28 c HA -0.177 4.393 4.570 -0.000 0.000 0.261 28 c C 2.039 176.208 174.090 0.133 0.000 1.492 28 c CA 0.205 56.602 56.329 0.113 0.000 1.622 28 c CB -2.520 40.044 42.510 0.090 0.000 1.855 28 c HN 0.785 nan 8.230 nan 0.000 0.662 29 N N 1.821 120.604 118.700 0.138 0.000 2.106 29 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 29 N C 0.445 176.009 175.510 0.092 0.000 1.029 29 N CA 1.436 54.534 53.050 0.080 0.000 0.848 29 N CB -0.142 38.228 38.487 -0.194 0.000 1.007 29 N HN 0.797 nan 8.380 nan 0.000 0.423 30 N N 0.820 119.638 118.700 0.197 0.000 2.434 30 N HA 0.082 4.822 4.740 -0.000 0.000 0.272 30 N C 0.659 176.261 175.510 0.154 0.000 1.040 30 N CA -0.078 53.105 53.050 0.223 0.000 0.956 30 N CB 1.004 39.645 38.487 0.257 0.000 1.108 30 N HN 0.138 nan 8.380 nan 0.000 0.481 31 R N 2.455 123.037 120.500 0.136 0.000 2.093 31 R HA 0.114 4.453 4.340 -0.000 0.000 0.224 31 R C 1.818 178.165 176.300 0.079 0.000 1.101 31 R CA 1.051 57.206 56.100 0.092 0.000 0.979 31 R CB 0.260 30.605 30.300 0.076 0.000 0.877 31 R HN 0.540 nan 8.270 nan 0.000 0.441 32 R N -0.863 119.687 120.500 0.082 0.000 2.119 32 R HA 0.069 4.409 4.340 -0.000 0.000 0.222 32 R C 0.503 176.844 176.300 0.069 0.000 1.088 32 R CA 0.753 56.891 56.100 0.064 0.000 0.984 32 R CB 0.236 30.567 30.300 0.053 0.000 0.884 32 R HN -0.081 nan 8.270 nan 0.000 0.447 33 S N 0.678 116.432 115.700 0.089 0.000 2.395 33 S HA 0.241 4.711 4.470 -0.000 0.000 0.207 33 S C -1.952 172.716 174.600 0.113 0.000 1.454 33 S CA -1.729 56.525 58.200 0.091 0.000 1.211 33 S CB 1.175 64.429 63.200 0.090 0.000 1.093 33 S HN -0.031 nan 8.310 nan 0.000 0.472 34 P HA -0.101 nan 4.420 nan 0.000 0.215 34 P C 1.226 178.606 177.300 0.133 0.000 1.153 34 P CA 1.198 64.367 63.100 0.113 0.000 0.853 34 P CB 0.080 31.832 31.700 0.085 0.000 0.788 35 A N -0.763 122.124 122.820 0.112 0.000 2.119 35 A HA -0.021 4.298 4.320 -0.000 0.000 0.217 35 A C 1.220 178.885 177.584 0.134 0.000 1.153 35 A CA 0.094 52.197 52.037 0.111 0.000 0.692 35 A CB -1.254 17.793 19.000 0.077 0.000 0.799 35 A HN 0.144 nan 8.150 nan 0.000 0.458 36 L N 0.718 122.030 121.223 0.150 0.000 2.654 36 L HA 0.357 4.697 4.340 -0.000 0.000 0.271 36 L C 1.371 178.349 176.870 0.181 0.000 1.169 36 L CA 1.488 56.417 54.840 0.148 0.000 0.947 36 L CB -0.395 41.763 42.059 0.165 0.000 1.232 36 L HN 0.646 nan 8.230 nan 0.000 0.486 37 G N 2.685 111.514 108.800 0.048 0.000 2.232 37 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.226 37 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.226 37 G C 0.565 175.451 174.900 -0.024 0.000 0.996 37 G CA 0.163 45.165 45.100 -0.163 0.000 0.626 37 G HN 1.108 nan 8.290 nan 0.000 0.509 38 A N 0.525 123.427 122.820 0.137 0.000 2.475 38 A HA 0.728 5.048 4.320 -0.000 0.000 0.239 38 A C 1.152 178.786 177.584 0.083 0.000 1.087 38 A CA 1.295 53.420 52.037 0.147 0.000 0.779 38 A CB 0.076 19.157 19.000 0.135 0.000 1.036 38 A HN 2.148 nan 8.150 nan 0.000 0.506 39 A N 0.483 123.357 122.820 0.090 0.000 2.304 39 A HA 0.516 4.836 4.320 -0.000 0.000 0.271 39 A C 0.789 178.398 177.584 0.042 0.000 1.091 39 A CA 0.070 52.148 52.037 0.068 0.000 0.812 39 A CB -0.130 18.919 19.000 0.082 0.000 1.056 39 A HN 1.254 nan 8.150 nan 0.000 0.489 40 N N -0.537 118.178 118.700 0.025 0.000 2.818 40 N HA -0.115 4.625 4.740 -0.000 0.000 0.250 40 N C -0.474 175.030 175.510 -0.011 0.000 1.108 40 N CA 1.035 54.083 53.050 -0.003 0.000 0.745 40 N CB -0.682 37.801 38.487 -0.006 0.000 1.104 40 N HN 0.718 nan 8.380 nan 0.000 0.557 41 R N 0.019 120.519 120.500 0.001 0.000 2.919 41 R HA 0.727 5.067 4.340 -0.000 0.000 0.260 41 R C 0.170 176.474 176.300 0.007 0.000 1.067 41 R CA -0.426 55.676 56.100 0.003 0.000 1.003 41 R CB 0.796 31.107 30.300 0.019 0.000 1.192 41 R HN 0.117 nan 8.270 nan 0.000 0.488 42 A N 1.568 124.399 122.820 0.018 0.000 2.498 42 A HA 0.244 4.564 4.320 -0.000 0.000 0.239 42 A C 0.352 177.957 177.584 0.034 0.000 1.068 42 A CA -0.231 51.826 52.037 0.034 0.000 0.766 42 A CB -0.100 18.932 19.000 0.054 0.000 1.003 42 A HN 0.533 nan 8.150 nan 0.000 0.497 43 L N 1.394 122.643 121.223 0.042 0.000 2.483 43 L HA 0.303 4.643 4.340 -0.000 0.000 0.276 43 L C 1.161 178.042 176.870 0.018 0.000 1.213 43 L CA 0.015 54.870 54.840 0.024 0.000 0.843 43 L CB 0.215 42.305 42.059 0.052 0.000 1.107 43 L HN 0.822 nan 8.230 nan 0.000 0.487 44 A N 3.900 126.706 122.820 -0.023 0.000 2.386 44 A HA 0.424 4.744 4.320 -0.000 0.000 0.248 44 A C -0.036 177.527 177.584 -0.034 0.000 1.082 44 A CA -0.331 51.709 52.037 0.004 0.000 0.789 44 A CB 0.245 19.264 19.000 0.033 0.000 1.025 44 A HN 0.657 nan 8.150 nan 0.000 0.490 45 R N 1.293 121.838 120.500 0.075 0.000 2.360 45 R HA 0.149 4.489 4.340 -0.000 0.000 0.318 45 R C -0.430 176.039 176.300 0.282 0.000 0.950 45 R CA -0.414 55.750 56.100 0.108 0.000 0.837 45 R CB 0.926 31.301 30.300 0.124 0.000 1.165 45 R HN 0.952 nan 8.270 nan 0.000 0.458 46 W N 2.283 123.675 121.300 0.154 0.000 2.658 46 W HA 0.193 4.853 4.660 -0.000 0.000 0.263 46 W C 0.411 177.010 176.519 0.134 0.000 1.274 46 W CA 0.209 57.657 57.345 0.171 0.000 1.343 46 W CB 0.045 29.580 29.460 0.126 0.000 1.106 46 W HN 0.266 nan 8.180 nan 0.000 0.615 47 L N -0.166 121.214 121.223 0.262 0.000 2.434 47 L HA 0.357 4.697 4.340 -0.000 0.000 0.260 47 L C -2.224 174.663 176.870 0.028 0.000 0.983 47 L CA -2.097 52.768 54.840 0.042 0.000 0.820 47 L CB 1.973 43.846 42.059 -0.311 0.000 1.361 47 L HN -0.516 nan 8.230 nan 0.000 0.410 48 P HA 0.094 nan 4.420 nan 0.000 0.266 48 P C -0.486 176.793 177.300 -0.035 0.000 1.195 48 P CA -0.162 62.942 63.100 0.005 0.000 0.768 48 P CB 0.584 32.285 31.700 0.001 0.000 0.838 49 A N 2.863 125.661 122.820 -0.037 0.000 2.507 49 A HA 0.059 4.379 4.320 -0.000 0.000 0.235 49 A C 0.166 177.639 177.584 -0.185 0.000 1.070 49 A CA 0.267 52.208 52.037 -0.159 0.000 0.768 49 A CB -0.159 18.733 19.000 -0.181 0.000 1.011 49 A HN 0.595 nan 8.150 nan 0.000 0.502 50 E N 0.476 120.492 120.200 -0.307 0.000 2.402 50 E HA 0.410 4.760 4.350 -0.000 0.000 0.244 50 E C -1.749 174.681 176.600 -0.284 0.000 0.945 50 E CA -0.023 56.304 56.400 -0.122 0.000 0.774 50 E CB 1.017 30.766 29.700 0.082 0.000 1.296 50 E HN 0.624 nan 8.360 nan 0.000 0.414 51 Y N 0.259 120.432 120.300 -0.213 0.000 2.621 51 Y HA 0.154 4.704 4.550 0.000 0.000 0.334 51 Y C 1.614 177.001 175.900 -0.854 0.000 1.074 51 Y CA -0.865 56.932 58.100 -0.504 0.000 1.149 51 Y CB 1.054 39.311 38.460 -0.339 0.000 1.302 51 Y HN 0.423 nan 8.280 nan 0.000 0.501 52 E N 0.415 120.129 120.200 -0.811 0.000 2.106 52 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 52 E C 0.164 176.607 176.600 -0.262 0.000 0.984 52 E CA 1.591 57.569 56.400 -0.704 0.000 0.806 52 E CB 0.061 29.516 29.700 -0.409 0.000 0.750 52 E HN 0.772 nan 8.360 nan 0.000 0.458 53 D N -1.451 118.819 120.400 -0.217 0.000 2.559 53 D HA 0.123 4.763 4.640 -0.000 0.000 0.234 53 D C 1.065 177.303 176.300 -0.104 0.000 1.226 53 D CA 0.358 54.273 54.000 -0.141 0.000 0.830 53 D CB 0.197 40.894 40.800 -0.173 0.000 1.028 53 D HN 0.300 nan 8.370 nan 0.000 0.492 54 G N 0.425 109.186 108.800 -0.065 0.000 2.238 54 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.270 54 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.270 54 G C 0.804 175.728 174.900 0.041 0.000 0.977 54 G CA 1.113 46.212 45.100 -0.002 0.000 0.639 54 G HN 0.478 nan 8.290 nan 0.000 0.544 55 L N -2.581 118.613 121.223 -0.048 0.000 2.638 55 L HA 0.618 4.958 4.340 -0.000 0.000 0.195 55 L C 2.195 178.751 176.870 -0.524 0.000 1.065 55 L CA 1.102 55.859 54.840 -0.139 0.000 0.859 55 L CB 0.159 42.106 42.059 -0.186 0.000 1.269 55 L HN 0.528 nan 8.230 nan 0.000 0.484 56 A N -1.165 121.123 122.820 -0.885 0.000 2.654 56 A HA 0.268 4.588 4.320 -0.000 0.000 0.203 56 A C -0.138 176.737 177.584 -1.181 0.000 1.306 56 A CA -0.083 51.080 52.037 -1.455 0.000 1.041 56 A CB 0.482 18.948 19.000 -0.889 0.000 1.217 56 A HN -0.042 nan 8.150 nan 0.000 0.510 57 V N 4.518 123.958 119.914 -0.790 0.000 2.368 57 V HA 0.299 4.419 4.120 -0.000 0.000 0.266 57 V C -2.213 173.622 176.094 -0.431 0.000 1.045 57 V CA -1.632 60.250 62.300 -0.697 0.000 0.899 57 V CB 1.085 32.562 31.823 -0.577 0.000 1.006 57 V HN 0.330 nan 8.190 nan 0.000 0.470 58 P HA 0.061 nan 4.420 nan 0.000 0.269 58 P C -0.300 176.962 177.300 -0.063 0.000 1.209 58 P CA -0.197 62.832 63.100 -0.119 0.000 0.776 58 P CB 0.505 32.090 31.700 -0.193 0.000 0.876 59 F N 1.176 121.205 119.950 0.132 0.000 2.578 59 F HA 0.258 4.785 4.527 -0.000 0.000 0.381 59 F C 1.936 177.864 175.800 0.214 0.000 1.069 59 F CA 1.869 59.960 58.000 0.151 0.000 1.231 59 F CB -0.176 38.905 39.000 0.134 0.000 1.086 59 F HN 0.691 nan 8.300 nan 0.000 0.564 60 G N 3.181 112.232 108.800 0.418 0.000 2.218 60 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 60 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 60 G C 0.950 176.067 174.900 0.360 0.000 0.994 60 G CA 0.071 45.384 45.100 0.355 0.000 0.637 60 G HN 0.741 nan 8.290 nan 0.000 0.505 61 W N 1.661 123.012 121.300 0.085 0.000 2.376 61 W HA 0.083 4.743 4.660 -0.001 0.000 0.324 61 W C 0.438 176.976 176.519 0.032 0.000 1.191 61 W CA 1.991 59.325 57.345 -0.018 0.000 1.282 61 W CB -0.512 28.807 29.460 -0.235 0.000 1.185 61 W HN 0.173 nan 8.180 nan 0.000 0.458 62 T N 1.688 116.396 114.554 0.256 0.000 2.780 62 T HA 0.060 4.410 4.350 -0.000 0.000 0.294 62 T C 0.834 175.594 174.700 0.100 0.000 0.949 62 T CA -0.192 61.984 62.100 0.128 0.000 1.074 62 T CB 1.378 70.358 68.868 0.188 0.000 0.910 62 T HN 0.237 nan 8.240 nan 0.000 0.501 63 Q N 2.406 122.231 119.800 0.043 0.000 2.319 63 Q HA 0.102 4.442 4.340 -0.000 0.000 0.202 63 Q C 1.482 177.510 176.000 0.047 0.000 0.896 63 Q CA 0.054 55.886 55.803 0.048 0.000 0.942 63 Q CB -0.005 28.743 28.738 0.017 0.000 1.083 63 Q HN 0.585 nan 8.270 nan 0.000 0.510 64 R N 0.616 121.144 120.500 0.046 0.000 2.246 64 R HA 0.189 4.529 4.340 -0.000 0.000 0.199 64 R C 0.153 176.486 176.300 0.055 0.000 0.984 64 R CA 0.085 56.209 56.100 0.040 0.000 1.015 64 R CB 0.056 30.373 30.300 0.028 0.000 0.930 64 R HN -0.030 nan 8.270 nan 0.000 0.475 65 K N 2.277 122.727 120.400 0.083 0.000 2.234 65 K HA 0.122 4.442 4.320 -0.000 0.000 0.282 65 K C -0.039 176.646 176.600 0.141 0.000 1.039 65 K CA -0.057 56.296 56.287 0.111 0.000 0.928 65 K CB 1.476 34.058 32.500 0.137 0.000 1.039 65 K HN 0.177 nan 8.250 nan 0.000 0.470 66 T N -0.131 114.490 114.554 0.112 0.000 2.923 66 T HA 0.354 4.704 4.350 -0.000 0.000 0.281 66 T C -0.055 174.698 174.700 0.088 0.000 0.995 66 T CA -1.012 61.141 62.100 0.088 0.000 0.985 66 T CB 1.556 70.426 68.868 0.003 0.000 1.114 66 T HN 0.540 nan 8.240 nan 0.000 0.548 67 R N 0.938 121.412 120.500 -0.042 0.000 2.310 67 R HA 0.287 4.626 4.340 -0.000 0.000 0.324 67 R C -0.299 175.937 176.300 -0.107 0.000 0.955 67 R CA -0.402 55.523 56.100 -0.291 0.000 0.830 67 R CB 0.035 29.889 30.300 -0.744 0.000 1.154 67 R HN 0.838 nan 8.270 nan 0.000 0.458 68 N N 3.052 121.703 118.700 -0.083 0.000 2.714 68 N HA -0.221 4.519 4.740 -0.000 0.000 0.250 68 N C 0.530 175.969 175.510 -0.119 0.000 1.117 68 N CA 1.636 54.667 53.050 -0.030 0.000 0.719 68 N CB -0.949 37.561 38.487 0.039 0.000 1.081 68 N HN 1.071 nan 8.380 nan 0.000 0.557 69 G N -2.175 106.501 108.800 -0.207 0.000 2.195 69 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.224 69 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.224 69 G C -0.117 174.384 174.900 -0.665 0.000 0.990 69 G CA 0.186 45.008 45.100 -0.463 0.000 0.639 69 G HN 0.349 nan 8.290 nan 0.000 0.514 70 F N 0.640 120.585 119.950 -0.007 0.000 2.561 70 F HA 0.700 5.227 4.527 -0.000 0.000 0.321 70 F C 0.872 176.669 175.800 -0.006 0.000 1.065 70 F CA -1.201 56.797 58.000 -0.004 0.000 0.934 70 F CB 1.234 40.234 39.000 -0.001 0.000 1.215 70 F HN -0.146 nan 8.300 nan 0.000 0.471 71 R N 1.496 122.119 120.500 0.204 0.000 2.442 71 R HA 0.373 4.713 4.340 -0.000 0.000 0.291 71 R C -0.674 175.674 176.300 0.079 0.000 1.069 71 R CA -0.580 55.589 56.100 0.117 0.000 1.022 71 R CB 0.770 31.120 30.300 0.083 0.000 0.976 71 R HN 0.563 nan 8.270 nan 0.000 0.443 72 V N 1.839 121.792 119.914 0.065 0.000 2.655 72 V HA 0.220 4.340 4.120 -0.000 0.000 0.300 72 V C -1.591 174.467 176.094 -0.059 0.000 1.044 72 V CA -1.566 60.742 62.300 0.013 0.000 1.095 72 V CB 0.152 32.027 31.823 0.088 0.000 0.952 72 V HN 0.679 nan 8.190 nan 0.000 0.485 73 P HA 0.352 nan 4.420 nan 0.000 0.276 73 P C -0.329 176.893 177.300 -0.130 0.000 1.244 73 P CA -0.715 62.257 63.100 -0.214 0.000 0.801 73 P CB 0.830 32.281 31.700 -0.416 0.000 1.006 74 L N 1.317 122.486 121.223 -0.089 0.000 2.513 74 L HA 0.029 4.369 4.340 -0.000 0.000 0.272 74 L C 2.021 178.859 176.870 -0.055 0.000 1.187 74 L CA -0.268 54.532 54.840 -0.066 0.000 0.895 74 L CB 0.193 42.221 42.059 -0.051 0.000 1.147 74 L HN 0.507 nan 8.230 nan 0.000 0.483 75 A N 3.994 126.780 122.820 -0.057 0.000 1.903 75 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 75 A C 2.308 179.904 177.584 0.021 0.000 1.191 75 A CA 2.212 54.238 52.037 -0.018 0.000 0.638 75 A CB -0.415 18.533 19.000 -0.087 0.000 0.823 75 A HN 0.871 nan 8.150 nan 0.000 0.451 76 R N 0.118 120.619 120.500 0.002 0.000 2.115 76 R HA -0.091 4.248 4.340 -0.000 0.000 0.230 76 R C 1.977 178.316 176.300 0.066 0.000 1.111 76 R CA 1.947 58.083 56.100 0.060 0.000 0.976 76 R CB -0.526 29.832 30.300 0.097 0.000 0.870 76 R HN 0.718 nan 8.270 nan 0.000 0.445 77 E N -0.684 119.536 120.200 0.032 0.000 2.106 77 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 77 E C 1.563 178.184 176.600 0.035 0.000 0.984 77 E CA 1.204 57.618 56.400 0.024 0.000 0.806 77 E CB 0.152 29.847 29.700 -0.010 0.000 0.750 77 E HN 0.217 nan 8.360 nan 0.000 0.458 78 V N 0.427 120.367 119.914 0.042 0.000 2.427 78 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 78 V C 2.399 178.575 176.094 0.137 0.000 1.051 78 V CA 1.739 64.094 62.300 0.092 0.000 1.048 78 V CB -0.407 31.503 31.823 0.144 0.000 0.666 78 V HN 0.284 nan 8.190 nan 0.000 0.456 79 S N 0.663 116.448 115.700 0.142 0.000 2.356 79 S HA -0.212 4.258 4.470 -0.000 0.000 0.223 79 S C 1.925 176.598 174.600 0.123 0.000 1.032 79 S CA 1.884 60.181 58.200 0.161 0.000 1.005 79 S CB -0.419 62.871 63.200 0.151 0.000 0.867 79 S HN 0.658 nan 8.310 nan 0.000 0.449 80 N N 1.074 119.828 118.700 0.090 0.000 2.223 80 N HA -0.022 4.717 4.740 -0.000 0.000 0.185 80 N C 1.606 177.156 175.510 0.066 0.000 1.016 80 N CA 1.053 54.143 53.050 0.067 0.000 0.863 80 N CB -0.186 38.328 38.487 0.046 0.000 0.983 80 N HN 0.527 nan 8.380 nan 0.000 0.429 81 K N -0.564 119.877 120.400 0.068 0.000 2.244 81 K HA 0.260 4.580 4.320 -0.000 0.000 0.200 81 K C 1.494 178.138 176.600 0.073 0.000 1.052 81 K CA 0.398 56.721 56.287 0.059 0.000 0.980 81 K CB 0.576 33.102 32.500 0.043 0.000 0.838 81 K HN 0.072 nan 8.250 nan 0.000 0.481 82 I N -0.519 120.107 120.570 0.093 0.000 3.194 82 I HA -0.075 4.095 4.170 -0.000 0.000 0.271 82 I C 1.717 177.899 176.117 0.109 0.000 1.150 82 I CA 0.267 61.621 61.300 0.090 0.000 1.440 82 I CB 0.348 38.402 38.000 0.089 0.000 1.276 82 I HN -0.225 nan 8.210 nan 0.000 0.457 83 V N 1.351 121.352 119.914 0.145 0.000 3.041 83 V HA 0.088 4.208 4.120 -0.000 0.000 0.260 83 V C 1.334 177.566 176.094 0.230 0.000 1.105 83 V CA 0.934 63.345 62.300 0.186 0.000 1.125 83 V CB -1.192 30.782 31.823 0.252 0.000 0.730 83 V HN 0.416 nan 8.190 nan 0.000 0.479 84 G N -0.601 108.316 108.800 0.195 0.000 2.504 84 G HA2 0.554 4.514 3.960 -0.000 0.000 0.288 84 G HA3 0.554 4.514 3.960 -0.000 0.000 0.288 84 G C -1.007 174.076 174.900 0.305 0.000 1.182 84 G CA -0.196 45.018 45.100 0.190 0.000 0.894 84 G HN 0.489 nan 8.290 nan 0.000 0.521 85 Y N -2.126 118.212 120.300 0.063 0.000 2.702 85 Y HA 0.502 5.051 4.550 -0.000 0.000 0.336 85 Y C -0.424 175.507 175.900 0.052 0.000 1.203 85 Y CA -1.195 56.937 58.100 0.053 0.000 1.072 85 Y CB 0.795 39.288 38.460 0.055 0.000 1.327 85 Y HN 0.298 nan 8.280 nan 0.000 0.456 86 L N 0.038 121.354 121.223 0.155 0.000 2.445 86 L HA 0.221 4.561 4.340 -0.000 0.000 0.207 86 L C 0.017 176.958 176.870 0.118 0.000 1.053 86 L CA 0.223 55.091 54.840 0.046 0.000 0.841 86 L CB 0.303 42.394 42.059 0.053 0.000 1.074 86 L HN 0.649 nan 8.230 nan 0.000 0.479 87 D N 0.665 121.206 120.400 0.235 0.000 2.317 87 D HA 0.035 4.675 4.640 -0.000 0.000 0.252 87 D C 0.489 176.971 176.300 0.304 0.000 1.174 87 D CA 0.320 54.441 54.000 0.202 0.000 0.866 87 D CB 1.996 42.883 40.800 0.144 0.000 1.127 87 D HN -0.030 nan 8.370 nan 0.000 0.467 88 E N 2.200 122.538 120.200 0.230 0.000 2.400 88 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 88 E C 0.218 176.920 176.600 0.170 0.000 1.012 88 E CA -0.014 56.548 56.400 0.270 0.000 0.875 88 E CB 0.106 29.920 29.700 0.190 0.000 0.859 88 E HN 0.592 nan 8.360 nan 0.000 0.498 89 E N -0.324 119.949 120.200 0.121 0.000 2.481 89 E HA 0.006 4.356 4.350 -0.000 0.000 0.263 89 E C 0.413 177.054 176.600 0.067 0.000 0.992 89 E CA 0.796 57.247 56.400 0.084 0.000 0.938 89 E CB 0.090 29.831 29.700 0.068 0.000 0.933 89 E HN 0.371 nan 8.360 nan 0.000 0.453 90 G N 2.922 111.757 108.800 0.058 0.000 2.203 90 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 90 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 90 G C 0.565 175.485 174.900 0.032 0.000 1.012 90 G CA 0.392 45.517 45.100 0.042 0.000 0.749 90 G HN 0.524 nan 8.290 nan 0.000 0.512 91 V N -0.004 119.938 119.914 0.046 0.000 3.590 91 V HA 0.374 4.493 4.120 -0.000 0.000 0.265 91 V C 1.596 177.724 176.094 0.056 0.000 1.239 91 V CA 0.430 62.747 62.300 0.029 0.000 1.117 91 V CB -0.084 31.766 31.823 0.044 0.000 0.818 91 V HN 0.423 nan 8.190 nan 0.000 0.451 92 L N 1.218 122.485 121.223 0.074 0.000 2.461 92 L HA 0.192 4.532 4.340 -0.000 0.000 0.272 92 L C 0.391 177.308 176.870 0.078 0.000 1.197 92 L CA 0.141 55.034 54.840 0.088 0.000 0.836 92 L CB 0.073 42.186 42.059 0.090 0.000 1.105 92 L HN 0.156 nan 8.230 nan 0.000 0.477 93 D N 2.249 122.706 120.400 0.095 0.000 2.358 93 D HA -0.033 4.607 4.640 -0.000 0.000 0.258 93 D C 0.799 177.137 176.300 0.063 0.000 1.223 93 D CA -0.140 53.908 54.000 0.080 0.000 0.886 93 D CB 1.331 42.197 40.800 0.110 0.000 1.120 93 D HN 0.440 nan 8.370 nan 0.000 0.482 94 Q N 2.566 122.391 119.800 0.042 0.000 2.226 94 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 94 Q C 0.756 176.773 176.000 0.029 0.000 0.975 94 Q CA 1.061 56.886 55.803 0.037 0.000 0.866 94 Q CB -0.068 28.686 28.738 0.026 0.000 0.915 94 Q HN 0.513 nan 8.270 nan 0.000 0.440 95 N N -0.016 118.688 118.700 0.007 0.000 2.517 95 N HA 0.082 4.822 4.740 -0.000 0.000 0.285 95 N C -1.223 174.256 175.510 -0.052 0.000 1.528 95 N CA -0.100 52.941 53.050 -0.014 0.000 0.892 95 N CB 0.495 38.963 38.487 -0.032 0.000 1.356 95 N HN -0.186 nan 8.380 nan 0.000 0.495 96 R N 0.356 120.848 120.500 -0.013 0.000 2.564 96 R HA 0.339 4.678 4.340 -0.000 0.000 0.284 96 R C -0.640 175.741 176.300 0.134 0.000 1.031 96 R CA -0.567 55.523 56.100 -0.017 0.000 0.904 96 R CB 1.480 31.702 30.300 -0.130 0.000 1.199 96 R HN 0.332 nan 8.270 nan 0.000 0.443 97 S N 1.821 117.636 115.700 0.192 0.000 2.632 97 S HA 0.226 4.696 4.470 -0.000 0.000 0.267 97 S C 1.427 176.192 174.600 0.275 0.000 1.276 97 S CA -0.838 57.485 58.200 0.205 0.000 0.998 97 S CB 0.999 64.297 63.200 0.163 0.000 0.953 97 S HN 0.655 nan 8.310 nan 0.000 0.547 98 L N 0.541 121.892 121.223 0.214 0.000 2.127 98 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 98 L C 2.244 179.239 176.870 0.208 0.000 1.089 98 L CA 1.309 56.269 54.840 0.198 0.000 0.757 98 L CB -0.579 41.569 42.059 0.148 0.000 0.899 98 L HN 0.841 nan 8.230 nan 0.000 0.434 99 L N -0.600 120.742 121.223 0.198 0.000 2.187 99 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 99 L C 2.178 179.283 176.870 0.391 0.000 1.100 99 L CA 1.664 56.603 54.840 0.165 0.000 0.765 99 L CB -0.755 41.297 42.059 -0.012 0.000 0.904 99 L HN 0.241 nan 8.230 nan 0.000 0.437 100 F N -0.614 119.565 119.950 0.382 0.000 2.171 100 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 100 F C 2.308 178.292 175.800 0.307 0.000 1.090 100 F CA 1.946 60.214 58.000 0.448 0.000 1.293 100 F CB -0.326 38.881 39.000 0.344 0.000 1.013 100 F HN 0.203 nan 8.300 nan 0.000 0.486 101 M N 0.224 119.880 119.600 0.093 0.000 2.077 101 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 101 M C 2.228 178.455 176.300 -0.121 0.000 1.070 101 M CA 1.867 57.115 55.300 -0.086 0.000 1.125 101 M CB -0.852 31.777 32.600 0.048 0.000 1.339 101 M HN 0.302 nan 8.290 nan 0.000 0.409 102 Q N -0.019 119.774 119.800 -0.013 0.000 2.124 102 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 102 Q C 1.847 177.783 176.000 -0.105 0.000 0.977 102 Q CA 2.162 57.936 55.803 -0.048 0.000 0.850 102 Q CB -0.867 27.885 28.738 0.024 0.000 0.901 102 Q HN 0.712 nan 8.270 nan 0.000 0.429 103 W N -0.007 121.134 121.300 -0.266 0.000 2.388 103 W HA -0.097 4.563 4.660 -0.000 0.000 0.294 103 W C 1.647 177.822 176.519 -0.573 0.000 1.212 103 W CA 1.360 58.477 57.345 -0.381 0.000 1.271 103 W CB -0.418 28.851 29.460 -0.319 0.000 1.126 103 W HN 0.325 nan 8.180 nan 0.000 0.535 104 G N 0.531 108.967 108.800 -0.606 0.000 2.476 104 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.218 104 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.218 104 G C 1.402 175.878 174.900 -0.706 0.000 1.164 104 G CA 1.318 46.039 45.100 -0.633 0.000 0.768 104 G HN 0.422 nan 8.290 nan 0.000 0.560 105 Q N -0.652 118.775 119.800 -0.621 0.000 2.224 105 Q HA -0.056 4.284 4.340 -0.000 0.000 0.203 105 Q C 2.437 177.986 176.000 -0.751 0.000 0.970 105 Q CA 0.652 56.035 55.803 -0.701 0.000 0.865 105 Q CB -0.107 28.295 28.738 -0.559 0.000 0.922 105 Q HN 0.462 nan 8.270 nan 0.000 0.445 106 I N -0.660 119.515 120.570 -0.659 0.000 2.110 106 I HA -0.251 3.919 4.170 -0.000 0.000 0.236 106 I C 2.212 178.005 176.117 -0.540 0.000 1.068 106 I CA 0.843 61.750 61.300 -0.655 0.000 1.333 106 I CB -0.777 36.678 38.000 -0.907 0.000 1.054 106 I HN 0.013 nan 8.210 nan 0.000 0.402 107 V N 0.905 120.429 119.914 -0.649 0.000 2.231 107 V HA -0.398 3.722 4.120 -0.000 0.000 0.250 107 V C 2.395 178.555 176.094 0.110 0.000 1.058 107 V CA 2.407 64.594 62.300 -0.188 0.000 1.022 107 V CB -0.839 31.030 31.823 0.077 0.000 0.640 107 V HN 0.555 nan 8.190 nan 0.000 0.445 108 D N -0.823 119.601 120.400 0.040 0.000 2.157 108 D HA -0.272 4.368 4.640 -0.000 0.000 0.191 108 D C 1.945 178.337 176.300 0.153 0.000 1.004 108 D CA 2.259 56.290 54.000 0.053 0.000 0.854 108 D CB -0.203 40.268 40.800 -0.550 0.000 0.936 108 D HN 0.714 nan 8.370 nan 0.000 0.446 109 H N -0.820 118.184 119.070 -0.109 0.000 2.495 109 H HA -0.065 4.491 4.556 -0.000 0.000 0.287 109 H C 1.602 176.915 175.328 -0.026 0.000 1.033 109 H CA 0.434 56.430 56.048 -0.086 0.000 1.307 109 H CB 0.361 30.043 29.762 -0.133 0.000 1.401 109 H HN 0.151 nan 8.280 nan 0.000 0.555 110 D N 0.628 121.096 120.400 0.113 0.000 2.224 110 D HA -0.077 4.562 4.640 -0.000 0.000 0.205 110 D C 1.911 178.309 176.300 0.163 0.000 0.965 110 D CA 0.632 54.702 54.000 0.117 0.000 0.852 110 D CB 0.350 41.210 40.800 0.100 0.000 0.947 110 D HN 0.375 nan 8.370 nan 0.000 0.494 111 L N -0.080 121.262 121.223 0.198 0.000 2.286 111 L HA 0.142 4.482 4.340 -0.000 0.000 0.203 111 L C 0.436 177.403 176.870 0.161 0.000 1.068 111 L CA 0.357 55.310 54.840 0.189 0.000 0.811 111 L CB 0.131 42.335 42.059 0.242 0.000 0.989 111 L HN -0.049 nan 8.230 nan 0.000 0.467 112 D N -1.303 119.211 120.400 0.190 0.000 2.732 112 D HA 0.385 5.024 4.640 -0.000 0.000 0.229 112 D C -1.416 175.016 176.300 0.220 0.000 1.152 112 D CA -0.365 53.737 54.000 0.169 0.000 0.854 112 D CB 3.133 44.028 40.800 0.158 0.000 1.590 112 D HN -0.190 nan 8.370 nan 0.000 0.468 113 F N 0.862 120.802 119.950 -0.016 0.000 2.839 113 F HA 0.517 5.044 4.527 -0.000 0.000 0.344 113 F C -1.764 174.023 175.800 -0.021 0.000 1.242 113 F CA -0.889 57.080 58.000 -0.051 0.000 1.091 113 F CB 1.571 40.525 39.000 -0.077 0.000 1.374 113 F HN 0.599 nan 8.300 nan 0.000 0.553 114 A N 7.387 130.035 122.820 -0.287 0.000 2.341 114 A HA 0.763 5.083 4.320 -0.000 0.000 0.326 114 A C -2.787 174.447 177.584 -0.585 0.000 1.402 114 A CA -1.438 50.422 52.037 -0.296 0.000 0.957 114 A CB -0.253 18.774 19.000 0.044 0.000 1.151 114 A HN 0.397 nan 8.150 nan 0.000 0.533 115 P HA 0.298 nan 4.420 nan 0.000 0.284 115 P C -0.147 176.961 177.300 -0.320 0.000 1.253 115 P CA -0.389 62.259 63.100 -0.753 0.000 0.800 115 P CB 0.732 32.020 31.700 -0.685 0.000 0.961 116 E N 0.304 120.374 120.200 -0.218 0.000 2.422 116 E HA 0.100 4.450 4.350 -0.000 0.000 0.260 116 E C 0.239 176.768 176.600 -0.118 0.000 1.108 116 E CA 0.094 56.417 56.400 -0.127 0.000 0.943 116 E CB 0.191 29.816 29.700 -0.125 0.000 0.961 116 E HN 0.494 nan 8.360 nan 0.000 0.443 117 T N -0.760 113.767 114.554 -0.045 0.000 2.916 117 T HA 0.019 4.369 4.350 -0.000 0.000 0.303 117 T C 0.548 175.176 174.700 -0.120 0.000 1.025 117 T CA -0.351 61.723 62.100 -0.043 0.000 1.142 117 T CB 1.564 70.477 68.868 0.074 0.000 0.947 117 T HN 0.558 nan 8.240 nan 0.000 0.544 118 E N 1.397 121.516 120.200 -0.134 0.000 2.799 118 E HA 0.207 4.557 4.350 -0.000 0.000 0.298 118 E C -0.078 176.440 176.600 -0.136 0.000 0.805 118 E CA -0.438 55.859 56.400 -0.170 0.000 1.265 118 E CB 0.055 29.665 29.700 -0.150 0.000 2.052 118 E HN 0.555 nan 8.360 nan 0.000 0.541 119 L N 0.322 121.483 121.223 -0.104 0.000 3.795 119 L HA -0.202 4.138 4.340 -0.000 0.000 0.489 119 L C 0.037 176.859 176.870 -0.079 0.000 1.259 119 L CA 1.237 56.034 54.840 -0.071 0.000 0.765 119 L CB -1.689 40.348 42.059 -0.035 0.000 1.519 119 L HN 0.446 nan 8.230 nan 0.000 0.842 120 G N -0.635 108.099 108.800 -0.110 0.000 4.677 120 G HA2 0.489 4.449 3.960 -0.000 0.000 0.225 120 G HA3 0.489 4.449 3.960 -0.000 0.000 0.225 120 G C -0.201 174.626 174.900 -0.122 0.000 0.876 120 G CA 0.262 45.286 45.100 -0.126 0.000 0.652 120 G HN 0.453 nan 8.290 nan 0.000 0.481 121 S N -0.442 115.202 115.700 -0.093 0.000 2.594 121 S HA 0.625 5.094 4.470 -0.000 0.000 0.322 121 S C 0.437 174.992 174.600 -0.076 0.000 1.085 121 S CA -0.059 58.089 58.200 -0.087 0.000 1.116 121 S CB 1.541 64.695 63.200 -0.076 0.000 0.979 121 S HN 1.346 nan 8.310 nan 0.000 0.465 122 S N 0.694 116.341 115.700 -0.087 0.000 3.884 122 S HA -0.168 4.301 4.470 -0.000 0.000 0.374 122 S C -0.324 174.218 174.600 -0.097 0.000 0.971 122 S CA 0.667 58.810 58.200 -0.096 0.000 1.152 122 S CB -1.121 62.032 63.200 -0.078 0.000 0.877 122 S HN 0.990 nan 8.310 nan 0.000 0.491 123 E N -0.187 119.959 120.200 -0.091 0.000 2.207 123 E HA 0.587 4.937 4.350 -0.000 0.000 0.270 123 E C 0.274 176.865 176.600 -0.015 0.000 0.927 123 E CA -0.565 55.810 56.400 -0.040 0.000 0.799 123 E CB 0.833 30.518 29.700 -0.025 0.000 1.172 123 E HN 0.529 nan 8.360 nan 0.000 0.404 124 H N 1.154 120.246 119.070 0.037 0.000 2.586 124 H HA 0.155 4.711 4.556 -0.001 0.000 0.273 124 H C 1.338 176.725 175.328 0.098 0.000 0.997 124 H CA 0.363 56.449 56.048 0.063 0.000 1.177 124 H CB 0.851 30.643 29.762 0.050 0.000 1.471 124 H HN 0.427 nan 8.280 nan 0.000 0.538 125 S N 0.463 116.293 115.700 0.218 0.000 2.414 125 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 125 S C 1.748 176.536 174.600 0.313 0.000 1.022 125 S CA 0.880 59.216 58.200 0.227 0.000 0.958 125 S CB 0.113 63.430 63.200 0.194 0.000 0.797 125 S HN 0.358 nan 8.310 nan 0.000 0.493 126 K N 0.383 120.933 120.400 0.250 0.000 2.362 126 K HA 0.039 4.359 4.320 -0.000 0.000 0.200 126 K C 1.615 178.428 176.600 0.354 0.000 1.046 126 K CA 1.011 57.482 56.287 0.306 0.000 0.952 126 K CB 0.041 32.569 32.500 0.046 0.000 0.753 126 K HN 0.269 nan 8.250 nan 0.000 0.466 127 V N 0.069 120.162 119.914 0.300 0.000 2.795 127 V HA -0.097 4.022 4.120 -0.000 0.000 0.243 127 V C 2.140 178.418 176.094 0.307 0.000 1.069 127 V CA 0.872 63.347 62.300 0.291 0.000 1.089 127 V CB 0.019 32.051 31.823 0.349 0.000 0.756 127 V HN 0.197 nan 8.190 nan 0.000 0.471 128 Q N -0.560 119.416 119.800 0.293 0.000 2.226 128 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 128 Q C 2.171 178.314 176.000 0.239 0.000 0.975 128 Q CA 2.293 58.264 55.803 0.280 0.000 0.866 128 Q CB -0.421 28.405 28.738 0.147 0.000 0.915 128 Q HN 0.649 nan 8.270 nan 0.000 0.440 129 c N -0.415 118.308 118.600 0.205 0.000 2.544 129 c HA 0.026 4.596 4.570 -0.000 0.000 0.280 129 c C 2.379 176.501 174.090 0.054 0.000 1.295 129 c CA 0.317 56.694 56.329 0.080 0.000 1.702 129 c CB -0.623 41.874 42.510 -0.022 0.000 2.090 129 c HN 0.579 nan 8.230 nan 0.000 0.493 130 E N 0.853 121.139 120.200 0.143 0.000 2.013 130 E HA -0.189 4.161 4.350 -0.000 0.000 0.202 130 E C 1.990 178.571 176.600 -0.033 0.000 1.018 130 E CA 1.796 58.244 56.400 0.080 0.000 0.834 130 E CB -0.468 29.338 29.700 0.177 0.000 0.770 130 E HN 0.752 nan 8.360 nan 0.000 0.459 131 E N -1.171 118.984 120.200 -0.074 0.000 2.442 131 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 131 E C 1.054 177.270 176.600 -0.639 0.000 1.030 131 E CA 0.462 56.638 56.400 -0.374 0.000 0.869 131 E CB 0.094 29.482 29.700 -0.521 0.000 0.857 131 E HN 0.409 nan 8.360 nan 0.000 0.505 132 Y N -0.716 119.579 120.300 -0.007 0.000 2.563 132 Y HA 0.209 4.759 4.550 0.001 0.000 0.250 132 Y C 0.498 176.372 175.900 -0.044 0.000 1.126 132 Y CA -0.823 57.264 58.100 -0.022 0.000 1.231 132 Y CB 0.235 38.684 38.460 -0.017 0.000 1.288 132 Y HN -0.038 nan 8.280 nan 0.000 0.537 133 c N 1.494 120.114 118.600 0.034 0.000 3.886 133 c HA -0.154 4.415 4.570 -0.000 0.000 0.295 133 c C 0.523 174.602 174.090 -0.019 0.000 1.411 133 c CA -0.600 55.706 56.329 -0.037 0.000 2.059 133 c CB -3.128 39.324 42.510 -0.097 0.000 1.329 133 c HN 0.180 nan 8.230 nan 0.000 0.670 134 V N 1.954 121.884 119.914 0.027 0.000 2.304 134 V HA 0.166 4.286 4.120 -0.000 0.000 0.262 134 V C 0.744 176.822 176.094 -0.025 0.000 1.061 134 V CA 0.427 62.729 62.300 0.003 0.000 0.872 134 V CB 1.101 32.943 31.823 0.032 0.000 1.077 134 V HN 0.716 nan 8.190 nan 0.000 0.480 135 Q N 3.074 122.812 119.800 -0.103 0.000 2.310 135 Q HA 0.253 4.593 4.340 -0.000 0.000 0.315 135 Q C 0.803 176.756 176.000 -0.079 0.000 1.081 135 Q CA 1.244 56.939 55.803 -0.179 0.000 0.981 135 Q CB 0.662 29.121 28.738 -0.464 0.000 1.184 135 Q HN 0.860 nan 8.270 nan 0.000 0.389 136 G N 2.958 111.838 108.800 0.134 0.000 3.409 136 G HA2 0.010 3.970 3.960 -0.000 0.000 0.168 136 G HA3 0.010 3.970 3.960 -0.000 0.000 0.168 136 G C -0.265 174.902 174.900 0.444 0.000 1.403 136 G CA 0.480 45.731 45.100 0.251 0.000 1.195 136 G HN 0.621 nan 8.290 nan 0.000 0.751 137 D N -0.518 120.075 120.400 0.321 0.000 2.844 137 D HA 0.213 4.853 4.640 -0.000 0.000 0.271 137 D C 1.832 178.261 176.300 0.216 0.000 1.386 137 D CA 0.365 54.499 54.000 0.223 0.000 1.053 137 D CB 0.550 41.443 40.800 0.156 0.000 1.107 137 D HN 0.125 nan 8.370 nan 0.000 0.395 138 E N -0.336 120.018 120.200 0.256 0.000 2.474 138 E HA 0.103 4.453 4.350 -0.000 0.000 0.194 138 E C -0.086 176.745 176.600 0.384 0.000 1.041 138 E CA -0.060 56.519 56.400 0.297 0.000 0.874 138 E CB -0.069 29.813 29.700 0.303 0.000 0.914 138 E HN 0.101 nan 8.360 nan 0.000 0.498 139 c N 1.813 120.618 118.600 0.341 0.000 2.281 139 c HA 0.403 4.973 4.570 -0.000 0.000 0.336 139 c C -0.450 173.858 174.090 0.363 0.000 1.217 139 c CA -0.670 55.758 56.329 0.165 0.000 1.730 139 c CB -1.511 41.028 42.510 0.048 0.000 2.338 139 c HN 0.171 nan 8.230 nan 0.000 0.521 140 F N 9.101 129.175 119.950 0.205 0.000 2.550 140 F HA 0.486 5.013 4.527 -0.001 0.000 0.348 140 F C -2.459 173.374 175.800 0.054 0.000 1.219 140 F CA -3.206 54.942 58.000 0.248 0.000 1.203 140 F CB 0.360 39.644 39.000 0.474 0.000 1.436 140 F HN 0.446 nan 8.300 nan 0.000 0.541 141 P HA 0.034 nan 4.420 nan 0.000 0.266 141 P C -0.400 176.630 177.300 -0.450 0.000 1.193 141 P CA 0.553 63.500 63.100 -0.255 0.000 0.770 141 P CB 0.685 32.260 31.700 -0.208 0.000 0.836 142 I N 3.727 124.057 120.570 -0.400 0.000 2.307 142 I HA 0.169 4.339 4.170 -0.000 0.000 0.287 142 I C 0.325 176.160 176.117 -0.471 0.000 1.054 142 I CA -0.246 60.799 61.300 -0.426 0.000 1.218 142 I CB 0.249 38.058 38.000 -0.319 0.000 1.398 142 I HN 0.119 nan 8.210 nan 0.000 0.475 143 M N 6.081 125.454 119.600 -0.378 0.000 2.200 143 M HA 0.301 4.780 4.480 -0.000 0.000 0.355 143 M C -0.194 175.942 176.300 -0.274 0.000 1.283 143 M CA -0.121 54.971 55.300 -0.347 0.000 1.124 143 M CB -0.119 32.365 32.600 -0.194 0.000 1.625 143 M HN 0.240 nan 8.290 nan 0.000 0.463 144 F N 4.984 124.883 119.950 -0.084 0.000 2.484 144 F HA 0.231 4.758 4.527 -0.000 0.000 0.360 144 F C -1.245 174.521 175.800 -0.057 0.000 1.101 144 F CA -1.311 56.647 58.000 -0.069 0.000 1.251 144 F CB 0.089 39.048 39.000 -0.069 0.000 1.132 144 F HN 0.423 nan 8.300 nan 0.000 0.570 145 P HA 0.094 nan 4.420 nan 0.000 0.289 145 P C -1.165 176.167 177.300 0.054 0.000 1.299 145 P CA -0.782 62.356 63.100 0.064 0.000 0.766 145 P CB 0.753 32.477 31.700 0.039 0.000 1.226 146 K N 0.296 120.711 120.400 0.025 0.000 2.326 146 K HA 0.044 4.364 4.320 -0.000 0.000 0.275 146 K C 0.165 176.766 176.600 0.002 0.000 1.018 146 K CA 0.245 56.539 56.287 0.012 0.000 0.962 146 K CB -0.612 31.892 32.500 0.006 0.000 0.953 146 K HN 0.491 nan 8.250 nan 0.000 0.475 147 N N 1.026 119.720 118.700 -0.011 0.000 2.925 147 N HA -0.199 4.541 4.740 -0.000 0.000 0.244 147 N C -1.197 174.287 175.510 -0.042 0.000 1.000 147 N CA 0.727 53.763 53.050 -0.023 0.000 0.895 147 N CB -0.697 37.781 38.487 -0.014 0.000 1.119 147 N HN 0.658 nan 8.380 nan 0.000 0.569 148 D N 0.595 120.961 120.400 -0.056 0.000 2.348 148 D HA 0.113 4.752 4.640 -0.000 0.000 0.253 148 D C -1.456 174.734 176.300 -0.184 0.000 1.161 148 D CA -1.766 52.166 54.000 -0.114 0.000 0.876 148 D CB 1.144 41.872 40.800 -0.119 0.000 1.160 148 D HN 0.027 nan 8.370 nan 0.000 0.459 149 P HA -0.063 nan 4.420 nan 0.000 0.225 149 P C 0.905 178.045 177.300 -0.266 0.000 1.148 149 P CA 0.879 63.875 63.100 -0.174 0.000 0.779 149 P CB 0.346 31.968 31.700 -0.130 0.000 0.780 150 K N -0.773 119.352 120.400 -0.458 0.000 2.288 150 K HA -0.016 4.304 4.320 -0.000 0.000 0.201 150 K C 1.931 178.141 176.600 -0.650 0.000 1.048 150 K CA 0.660 56.539 56.287 -0.681 0.000 0.956 150 K CB -0.497 31.289 32.500 -1.189 0.000 0.746 150 K HN 0.208 nan 8.250 nan 0.000 0.461 151 L N 1.278 122.193 121.223 -0.513 0.000 1.970 151 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 151 L C 2.186 178.979 176.870 -0.129 0.000 1.071 151 L CA 1.596 56.312 54.840 -0.207 0.000 0.751 151 L CB -0.311 41.691 42.059 -0.095 0.000 0.889 151 L HN 0.121 nan 8.230 nan 0.000 0.432 152 K N -1.604 118.719 120.400 -0.129 0.000 2.281 152 K HA -0.170 4.149 4.320 -0.000 0.000 0.203 152 K C 1.724 178.275 176.600 -0.082 0.000 1.046 152 K CA 1.596 57.832 56.287 -0.086 0.000 0.938 152 K CB -0.084 32.368 32.500 -0.079 0.000 0.737 152 K HN 0.257 nan 8.250 nan 0.000 0.458 153 T N -1.089 113.397 114.554 -0.114 0.000 2.969 153 T HA 0.121 4.470 4.350 -0.000 0.000 0.258 153 T C 1.117 175.772 174.700 -0.076 0.000 0.962 153 T CA -0.059 61.988 62.100 -0.088 0.000 0.903 153 T CB 0.470 69.285 68.868 -0.089 0.000 1.177 153 T HN 0.100 nan 8.240 nan 0.000 0.511 154 Q N -0.539 119.205 119.800 -0.092 0.000 2.644 154 Q HA 0.499 4.839 4.340 -0.000 0.000 0.220 154 Q C 1.007 177.016 176.000 0.015 0.000 0.866 154 Q CA 0.323 56.099 55.803 -0.045 0.000 0.915 154 Q CB 1.499 30.202 28.738 -0.058 0.000 1.191 154 Q HN 0.430 nan 8.270 nan 0.000 0.641 155 G N -0.059 108.800 108.800 0.098 0.000 2.393 155 G HA2 0.130 4.090 3.960 -0.000 0.000 0.264 155 G HA3 0.130 4.090 3.960 -0.000 0.000 0.264 155 G C -0.790 174.247 174.900 0.228 0.000 1.221 155 G CA -0.495 44.670 45.100 0.109 0.000 0.912 155 G HN -0.121 nan 8.290 nan 0.000 0.483 156 K N -0.804 119.666 120.400 0.117 0.000 2.361 156 K HA 0.316 4.636 4.320 -0.000 0.000 0.194 156 K C 0.424 176.927 176.600 -0.163 0.000 1.032 156 K CA 0.932 57.274 56.287 0.092 0.000 1.048 156 K CB 0.418 32.917 32.500 -0.002 0.000 0.842 156 K HN 0.765 nan 8.250 nan 0.000 0.526 157 c N -1.888 116.455 118.600 -0.428 0.000 3.295 157 c HA 0.573 5.143 4.570 -0.000 0.000 0.341 157 c C -1.428 172.201 174.090 -0.768 0.000 1.418 157 c CA -1.350 54.445 56.329 -0.890 0.000 1.240 157 c CB 0.868 43.099 42.510 -0.465 0.000 1.562 157 c HN 0.020 nan 8.230 nan 0.000 0.457 158 M N 2.937 122.131 119.600 -0.676 0.000 2.227 158 M HA 0.481 4.961 4.480 -0.000 0.000 0.335 158 M C -2.457 173.767 176.300 -0.126 0.000 1.053 158 M CA -1.497 53.600 55.300 -0.338 0.000 0.973 158 M CB 1.910 34.397 32.600 -0.188 0.000 1.623 158 M HN 0.578 nan 8.290 nan 0.000 0.434 159 P HA 0.154 nan 4.420 nan 0.000 0.269 159 P C -1.313 176.012 177.300 0.042 0.000 1.209 159 P CA 0.172 63.223 63.100 -0.082 0.000 0.776 159 P CB 0.576 32.218 31.700 -0.097 0.000 0.876 160 F N 2.702 122.453 119.950 -0.332 0.000 2.630 160 F HA 0.473 5.000 4.527 -0.001 0.000 0.325 160 F C -1.878 173.752 175.800 -0.284 0.000 1.184 160 F CA -0.925 56.961 58.000 -0.190 0.000 1.011 160 F CB 0.963 39.874 39.000 -0.150 0.000 1.268 160 F HN 0.058 nan 8.300 nan 0.000 0.480 161 F N 5.182 124.967 119.950 -0.275 0.000 2.436 161 F HA 0.594 5.121 4.527 -0.001 0.000 0.340 161 F C 0.563 176.269 175.800 -0.156 0.000 1.113 161 F CA -0.780 57.178 58.000 -0.069 0.000 1.022 161 F CB 1.422 40.383 39.000 -0.065 0.000 1.128 161 F HN 0.282 nan 8.300 nan 0.000 0.466 162 R N 1.667 122.362 120.500 0.326 0.000 2.643 162 R HA 0.464 4.803 4.340 -0.000 0.000 0.270 162 R C 0.079 176.484 176.300 0.176 0.000 1.061 162 R CA -0.451 55.844 56.100 0.325 0.000 1.107 162 R CB 0.460 30.929 30.300 0.282 0.000 0.999 162 R HN 0.757 nan 8.270 nan 0.000 0.460 163 A N 1.839 124.747 122.820 0.147 0.000 2.425 163 A HA 0.326 4.646 4.320 -0.000 0.000 0.242 163 A C 0.668 178.300 177.584 0.080 0.000 1.077 163 A CA 0.105 52.177 52.037 0.057 0.000 0.781 163 A CB 0.211 19.229 19.000 0.030 0.000 1.020 163 A HN 0.790 nan 8.150 nan 0.000 0.494 164 G N -0.344 108.460 108.800 0.008 0.000 2.594 164 G HA2 0.475 4.435 3.960 -0.000 0.000 0.243 164 G HA3 0.475 4.435 3.960 -0.000 0.000 0.243 164 G C -0.313 174.633 174.900 0.077 0.000 1.229 164 G CA 0.175 45.269 45.100 -0.009 0.000 0.843 164 G HN 1.097 nan 8.290 nan 0.000 0.578 165 F N -0.754 119.127 119.950 -0.115 0.000 2.675 165 F HA 0.652 5.179 4.527 -0.001 0.000 0.324 165 F C 0.807 176.530 175.800 -0.129 0.000 1.106 165 F CA -0.854 57.083 58.000 -0.106 0.000 0.970 165 F CB 0.398 39.345 39.000 -0.089 0.000 1.385 165 F HN 0.444 nan 8.300 nan 0.000 0.489 166 V N -1.145 118.772 119.914 0.006 0.000 2.239 166 V HA -0.137 3.983 4.120 -0.000 0.000 0.236 166 V C 1.918 177.847 176.094 -0.275 0.000 1.040 166 V CA 1.515 63.740 62.300 -0.125 0.000 0.996 166 V CB -1.506 30.298 31.823 -0.032 0.000 0.640 166 V HN 1.025 nan 8.190 nan 0.000 0.456 167 c N 1.259 119.654 118.600 -0.341 0.000 2.359 167 c HA -0.014 4.556 4.570 -0.000 0.000 0.279 167 c C 0.101 173.896 174.090 -0.492 0.000 1.191 167 c CA 2.106 58.153 56.329 -0.470 0.000 1.764 167 c CB -2.426 39.642 42.510 -0.736 0.000 2.026 167 c HN 0.655 nan 8.230 nan 0.000 0.442 168 P HA 0.394 nan 4.420 nan 0.000 0.318 168 P C 0.222 177.090 177.300 -0.720 0.000 1.315 168 P CA 1.126 63.929 63.100 -0.495 0.000 0.821 168 P CB 0.563 32.063 31.700 -0.332 0.000 2.031 169 T N -6.270 107.886 114.554 -0.662 0.000 3.421 169 T HA 0.263 4.613 4.350 -0.000 0.000 0.277 169 T C -2.464 172.051 174.700 -0.309 0.000 0.867 169 T CA 0.074 61.706 62.100 -0.780 0.000 0.957 169 T CB -1.570 67.043 68.868 -0.426 0.000 1.225 169 T HN 0.162 nan 8.240 nan 0.000 0.544 170 P HA 0.228 nan 4.420 nan 0.000 0.272 170 P C -1.858 175.577 177.300 0.224 0.000 1.254 170 P CA -0.828 62.300 63.100 0.048 0.000 0.795 170 P CB -0.097 31.613 31.700 0.018 0.000 1.022 171 P HA -0.295 nan 4.420 nan 0.000 0.218 171 P C 0.038 177.537 177.300 0.332 0.000 1.018 171 P CA 1.765 64.989 63.100 0.206 0.000 1.016 171 P CB -0.445 31.324 31.700 0.114 0.000 0.748 172 Y N -3.037 117.337 120.300 0.123 0.000 2.501 172 Y HA -0.277 4.272 4.550 -0.001 0.000 0.023 172 Y C 1.407 177.316 175.900 0.015 0.000 1.697 172 Y CA 0.874 59.040 58.100 0.110 0.000 1.423 172 Y CB -1.356 37.267 38.460 0.272 0.000 2.068 172 Y HN 0.251 nan 8.280 nan 0.000 0.253 173 Q N -0.726 118.763 119.800 -0.519 0.000 2.340 173 Q HA 0.069 4.409 4.340 -0.000 0.000 0.173 173 Q C 1.608 177.368 176.000 -0.399 0.000 0.692 173 Q CA 0.377 55.958 55.803 -0.370 0.000 0.904 173 Q CB 0.411 29.019 28.738 -0.217 0.000 1.228 173 Q HN 0.621 nan 8.270 nan 0.000 0.387 174 S N 1.195 116.590 115.700 -0.509 0.000 2.492 174 S HA -0.148 4.322 4.470 -0.000 0.000 0.234 174 S C 0.893 175.495 174.600 0.003 0.000 1.050 174 S CA 1.389 59.524 58.200 -0.110 0.000 1.203 174 S CB -0.368 62.957 63.200 0.208 0.000 1.161 174 S HN 0.217 nan 8.310 nan 0.000 0.417 175 L N 0.421 121.726 121.223 0.136 0.000 2.891 175 L HA 0.688 5.028 4.340 -0.000 0.000 0.216 175 L C 0.183 177.110 176.870 0.096 0.000 1.209 175 L CA -0.372 54.570 54.840 0.171 0.000 0.957 175 L CB -0.058 42.205 42.059 0.339 0.000 1.876 175 L HN 0.324 nan 8.230 nan 0.000 0.532 176 A N 0.834 123.729 122.820 0.125 0.000 2.366 176 A HA 0.409 4.729 4.320 -0.000 0.000 0.272 176 A C 0.005 177.688 177.584 0.165 0.000 1.135 176 A CA -0.390 51.727 52.037 0.133 0.000 0.804 176 A CB -0.149 18.956 19.000 0.174 0.000 1.064 176 A HN 0.604 nan 8.150 nan 0.000 0.499 177 R N 2.030 122.589 120.500 0.097 0.000 2.473 177 R HA 0.100 4.440 4.340 -0.000 0.000 0.315 177 R C -1.210 175.202 176.300 0.186 0.000 0.972 177 R CA 0.623 56.745 56.100 0.037 0.000 1.047 177 R CB -0.054 30.074 30.300 -0.287 0.000 0.932 177 R HN 0.653 nan 8.270 nan 0.000 0.411 178 D N 3.626 124.129 120.400 0.172 0.000 2.391 178 D HA 0.165 4.805 4.640 -0.000 0.000 0.245 178 D C -0.472 175.904 176.300 0.128 0.000 1.069 178 D CA -0.555 53.535 54.000 0.149 0.000 0.831 178 D CB 1.730 42.609 40.800 0.131 0.000 1.204 178 D HN 0.411 nan 8.370 nan 0.000 0.503 179 Q N 0.803 120.651 119.800 0.081 0.000 2.368 179 Q HA 0.451 4.790 4.340 -0.000 0.000 0.237 179 Q C 0.074 176.099 176.000 0.042 0.000 0.987 179 Q CA -0.127 55.693 55.803 0.027 0.000 0.896 179 Q CB 1.301 29.965 28.738 -0.125 0.000 1.241 179 Q HN 0.423 nan 8.270 nan 0.000 0.485 180 I N 1.174 121.743 120.570 -0.003 0.000 2.577 180 I HA 0.229 4.399 4.170 -0.000 0.000 0.300 180 I C -0.039 176.061 176.117 -0.027 0.000 0.990 180 I CA -0.756 60.528 61.300 -0.027 0.000 1.283 180 I CB 1.063 39.015 38.000 -0.080 0.000 1.411 180 I HN 0.469 nan 8.210 nan 0.000 0.515 181 N N 3.482 122.175 118.700 -0.011 0.000 2.469 181 N HA 0.385 5.125 4.740 -0.000 0.000 0.253 181 N C 0.147 175.665 175.510 0.013 0.000 0.970 181 N CA -0.384 52.670 53.050 0.006 0.000 0.940 181 N CB 1.757 40.259 38.487 0.025 0.000 1.128 181 N HN 0.696 nan 8.380 nan 0.000 0.503 182 A N 2.494 125.326 122.820 0.019 0.000 2.238 182 A HA 0.192 4.512 4.320 -0.000 0.000 0.208 182 A C 0.483 178.145 177.584 0.130 0.000 1.177 182 A CA 0.416 52.492 52.037 0.064 0.000 0.804 182 A CB -0.415 18.631 19.000 0.077 0.000 0.823 182 A HN 0.496 nan 8.150 nan 0.000 0.482 183 V N -3.668 116.324 119.914 0.131 0.000 3.074 183 V HA 0.744 4.864 4.120 -0.000 0.000 0.314 183 V C 0.002 176.157 176.094 0.102 0.000 1.117 183 V CA -0.345 62.031 62.300 0.128 0.000 1.014 183 V CB 0.991 32.900 31.823 0.143 0.000 1.057 183 V HN 0.331 nan 8.190 nan 0.000 0.438 184 T N -0.489 114.140 114.554 0.124 0.000 2.907 184 T HA 0.262 4.611 4.350 -0.000 0.000 0.298 184 T C 1.005 175.744 174.700 0.065 0.000 1.017 184 T CA 0.405 62.585 62.100 0.133 0.000 1.118 184 T CB 1.009 70.026 68.868 0.249 0.000 0.948 184 T HN 0.822 nan 8.240 nan 0.000 0.531 185 S N 1.377 117.006 115.700 -0.118 0.000 2.453 185 S HA 0.113 4.583 4.470 -0.000 0.000 0.231 185 S C 0.289 174.770 174.600 -0.197 0.000 1.005 185 S CA 0.271 58.332 58.200 -0.232 0.000 0.949 185 S CB -0.503 62.467 63.200 -0.384 0.000 0.774 185 S HN 0.695 nan 8.310 nan 0.000 0.510 186 F N 1.465 121.506 119.950 0.152 0.000 2.484 186 F HA 0.243 4.769 4.527 -0.000 0.000 0.360 186 F C 0.671 176.608 175.800 0.229 0.000 1.101 186 F CA -0.772 57.350 58.000 0.203 0.000 1.251 186 F CB 0.172 39.298 39.000 0.211 0.000 1.132 186 F HN -0.027 nan 8.300 nan 0.000 0.570 187 L N 4.552 126.062 121.223 0.478 0.000 2.583 187 L HA -0.008 4.331 4.340 -0.000 0.000 0.280 187 L C 0.001 177.092 176.870 0.368 0.000 1.261 187 L CA 0.259 55.355 54.840 0.427 0.000 1.164 187 L CB -0.669 41.719 42.059 0.547 0.000 1.402 187 L HN 0.745 nan 8.230 nan 0.000 0.443 188 D N 1.764 122.350 120.400 0.310 0.000 2.673 188 D HA 0.155 4.795 4.640 -0.000 0.000 0.278 188 D C 0.719 177.159 176.300 0.233 0.000 1.393 188 D CA 0.192 54.343 54.000 0.252 0.000 0.805 188 D CB 0.505 41.446 40.800 0.235 0.000 1.110 188 D HN 0.307 nan 8.370 nan 0.000 0.476 189 A N 0.666 123.629 122.820 0.238 0.000 2.826 189 A HA -0.260 4.060 4.320 -0.000 0.000 0.274 189 A C 1.751 179.493 177.584 0.264 0.000 1.443 189 A CA 1.248 53.434 52.037 0.248 0.000 0.833 189 A CB -2.595 16.625 19.000 0.367 0.000 1.023 189 A HN 0.841 nan 8.150 nan 0.000 0.600 190 S N -0.610 115.217 115.700 0.212 0.000 2.515 190 S HA 0.013 4.483 4.470 -0.000 0.000 0.231 190 S C 1.669 176.346 174.600 0.129 0.000 0.987 190 S CA 1.054 59.371 58.200 0.194 0.000 0.936 190 S CB -0.761 62.543 63.200 0.174 0.000 0.766 190 S HN 1.720 nan 8.310 nan 0.000 0.528 191 L N -1.147 120.129 121.223 0.090 0.000 2.395 191 L HA 0.225 4.565 4.340 -0.000 0.000 0.218 191 L C 1.862 178.775 176.870 0.070 0.000 1.130 191 L CA 0.553 55.438 54.840 0.075 0.000 0.826 191 L CB -0.380 41.701 42.059 0.037 0.000 0.941 191 L HN 0.171 nan 8.230 nan 0.000 0.451 192 V N -0.674 119.206 119.914 -0.056 0.000 2.521 192 V HA -0.071 4.049 4.120 -0.000 0.000 0.239 192 V C 2.012 177.885 176.094 -0.369 0.000 1.053 192 V CA 1.106 63.240 62.300 -0.277 0.000 1.073 192 V CB -0.444 31.037 31.823 -0.570 0.000 0.746 192 V HN 0.329 nan 8.190 nan 0.000 0.476 193 Y N 0.987 121.302 120.300 0.025 0.000 2.490 193 Y HA 0.498 5.048 4.550 -0.000 0.000 0.285 193 Y C 1.332 177.262 175.900 0.050 0.000 1.117 193 Y CA 0.603 58.725 58.100 0.037 0.000 1.262 193 Y CB -0.105 38.381 38.460 0.043 0.000 1.043 193 Y HN 0.360 nan 8.280 nan 0.000 0.553 194 G N -0.654 108.241 108.800 0.159 0.000 2.617 194 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.686 194 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.686 194 G C 0.207 175.180 174.900 0.122 0.000 1.214 194 G CA -0.251 44.915 45.100 0.111 0.000 0.796 194 G HN -0.013 nan 8.290 nan 0.000 0.654 195 S N 0.168 115.926 115.700 0.096 0.000 2.523 195 S HA 0.241 4.711 4.470 -0.000 0.000 0.217 195 S C 0.648 175.295 174.600 0.078 0.000 0.996 195 S CA 0.643 58.903 58.200 0.099 0.000 0.921 195 S CB 0.251 63.513 63.200 0.103 0.000 0.829 195 S HN 0.604 nan 8.310 nan 0.000 0.495 196 E N 1.111 121.349 120.200 0.063 0.000 2.207 196 E HA 0.265 4.614 4.350 -0.000 0.000 0.270 196 E C -2.193 174.430 176.600 0.038 0.000 0.927 196 E CA -2.339 54.088 56.400 0.045 0.000 0.799 196 E CB 1.247 30.966 29.700 0.032 0.000 1.172 196 E HN -0.127 nan 8.360 nan 0.000 0.404 197 P HA -0.233 nan 4.420 nan 0.000 0.213 197 P C 1.384 178.685 177.300 0.002 0.000 1.170 197 P CA 1.605 64.714 63.100 0.014 0.000 0.893 197 P CB 0.105 31.810 31.700 0.009 0.000 0.784 198 S N 0.608 116.308 115.700 0.000 0.000 2.404 198 S HA -0.268 4.202 4.470 -0.000 0.000 0.230 198 S C 1.947 176.544 174.600 -0.005 0.000 1.046 198 S CA 1.830 60.026 58.200 -0.006 0.000 1.135 198 S CB -1.882 61.315 63.200 -0.005 0.000 1.056 198 S HN 0.062 nan 8.310 nan 0.000 0.426 199 L N 2.537 123.762 121.223 0.004 0.000 2.043 199 L HA -0.009 4.331 4.340 -0.000 0.000 0.212 199 L C 2.625 179.500 176.870 0.008 0.000 1.075 199 L CA 2.059 56.903 54.840 0.006 0.000 0.752 199 L CB -1.247 40.821 42.059 0.014 0.000 0.891 199 L HN 0.424 nan 8.230 nan 0.000 0.432 200 A N -1.693 121.141 122.820 0.022 0.000 2.019 200 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 200 A C 2.472 180.042 177.584 -0.023 0.000 1.164 200 A CA 1.734 53.795 52.037 0.040 0.000 0.644 200 A CB -0.906 18.141 19.000 0.079 0.000 0.805 200 A HN 0.589 nan 8.150 nan 0.000 0.449 201 S N -0.725 114.949 115.700 -0.045 0.000 2.335 201 S HA -0.151 4.319 4.470 -0.000 0.000 0.217 201 S C 2.218 176.780 174.600 -0.062 0.000 1.032 201 S CA 1.048 59.201 58.200 -0.078 0.000 0.985 201 S CB -0.406 62.759 63.200 -0.059 0.000 0.896 201 S HN 0.569 nan 8.310 nan 0.000 0.445 202 R N 0.078 120.557 120.500 -0.036 0.000 2.154 202 R HA -0.114 4.226 4.340 -0.000 0.000 0.248 202 R C 1.826 178.109 176.300 -0.027 0.000 1.155 202 R CA 1.277 57.361 56.100 -0.026 0.000 0.979 202 R CB -0.574 29.717 30.300 -0.015 0.000 0.869 202 R HN 0.364 nan 8.270 nan 0.000 0.452 203 L N 0.229 121.435 121.223 -0.028 0.000 2.395 203 L HA 0.006 4.345 4.340 -0.000 0.000 0.218 203 L C 0.781 177.631 176.870 -0.034 0.000 1.130 203 L CA 1.177 56.000 54.840 -0.029 0.000 0.826 203 L CB -0.418 41.631 42.059 -0.017 0.000 0.941 203 L HN 0.009 nan 8.230 nan 0.000 0.451 204 R N 0.110 120.578 120.500 -0.054 0.000 2.500 204 R HA 0.199 4.539 4.340 -0.000 0.000 0.277 204 R C 0.104 176.381 176.300 -0.038 0.000 1.026 204 R CA -0.571 55.490 56.100 -0.066 0.000 1.058 204 R CB 0.506 30.689 30.300 -0.195 0.000 1.078 204 R HN -0.122 nan 8.270 nan 0.000 0.509 205 N N 3.146 121.843 118.700 -0.004 0.000 2.645 205 N HA 0.078 4.818 4.740 -0.000 0.000 0.233 205 N C 0.069 175.581 175.510 0.003 0.000 1.058 205 N CA -0.085 52.971 53.050 0.010 0.000 0.942 205 N CB 0.387 38.897 38.487 0.039 0.000 1.210 205 N HN 0.567 nan 8.380 nan 0.000 0.512 206 L N 1.150 122.363 121.223 -0.017 0.000 2.591 206 L HA 0.111 4.451 4.340 -0.000 0.000 0.228 206 L C 1.551 178.420 176.870 -0.003 0.000 1.133 206 L CA 0.042 54.869 54.840 -0.022 0.000 0.880 206 L CB -0.064 41.970 42.059 -0.042 0.000 1.033 206 L HN 0.349 nan 8.230 nan 0.000 0.450 207 S N -0.491 115.215 115.700 0.009 0.000 2.406 207 S HA -0.041 4.428 4.470 -0.000 0.000 0.228 207 S C 1.058 175.671 174.600 0.021 0.000 1.020 207 S CA 0.680 58.890 58.200 0.016 0.000 0.965 207 S CB -0.004 63.209 63.200 0.022 0.000 0.798 207 S HN 0.566 nan 8.310 nan 0.000 0.488 208 S N 1.632 117.349 115.700 0.027 0.000 2.501 208 S HA 0.468 4.937 4.470 -0.000 0.000 0.301 208 S C -2.922 171.699 174.600 0.035 0.000 1.096 208 S CA -1.577 56.642 58.200 0.033 0.000 1.063 208 S CB 1.759 64.983 63.200 0.040 0.000 1.042 208 S HN -0.006 nan 8.310 nan 0.000 0.494 209 P HA 0.273 nan 4.420 nan 0.000 0.235 209 P C -0.070 177.264 177.300 0.056 0.000 1.725 209 P CA -0.146 62.979 63.100 0.042 0.000 0.894 209 P CB -0.408 31.318 31.700 0.042 0.000 1.704 210 L N -1.276 119.983 121.223 0.060 0.000 2.693 210 L HA 0.350 4.690 4.340 -0.000 0.000 0.235 210 L C 1.494 178.416 176.870 0.086 0.000 1.127 210 L CA 0.280 55.159 54.840 0.065 0.000 0.914 210 L CB -0.331 41.760 42.059 0.053 0.000 1.193 210 L HN 0.161 nan 8.230 nan 0.000 0.502 211 G N 1.095 109.963 108.800 0.114 0.000 2.225 211 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 211 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 211 G C 0.202 175.284 174.900 0.304 0.000 1.024 211 G CA 0.160 45.378 45.100 0.197 0.000 0.784 211 G HN 0.248 nan 8.290 nan 0.000 0.507 212 L N -0.167 121.187 121.223 0.219 0.000 2.421 212 L HA 0.569 4.909 4.340 -0.000 0.000 0.263 212 L C 1.121 178.145 176.870 0.256 0.000 1.122 212 L CA -0.885 54.108 54.840 0.255 0.000 0.804 212 L CB 0.774 42.918 42.059 0.141 0.000 1.150 212 L HN 0.054 nan 8.230 nan 0.000 0.457 213 M N 1.443 121.186 119.600 0.239 0.000 2.277 213 M HA 0.307 4.787 4.480 -0.000 0.000 0.350 213 M C 0.164 176.482 176.300 0.030 0.000 1.180 213 M CA -0.563 54.778 55.300 0.068 0.000 1.103 213 M CB 1.390 33.954 32.600 -0.059 0.000 1.577 213 M HN 0.664 nan 8.290 nan 0.000 0.459 214 A N 3.233 126.051 122.820 -0.004 0.000 2.567 214 A HA 0.367 4.687 4.320 -0.000 0.000 0.240 214 A C 0.150 177.701 177.584 -0.056 0.000 1.053 214 A CA -0.313 51.713 52.037 -0.017 0.000 0.755 214 A CB -0.248 18.738 19.000 -0.023 0.000 0.978 214 A HN 0.799 nan 8.150 nan 0.000 0.507 215 V N 1.645 121.518 119.914 -0.068 0.000 3.019 215 V HA 0.531 4.651 4.120 -0.000 0.000 0.317 215 V C 0.308 176.273 176.094 -0.214 0.000 1.094 215 V CA -1.423 60.776 62.300 -0.168 0.000 1.000 215 V CB 1.699 33.397 31.823 -0.209 0.000 1.060 215 V HN 0.868 nan 8.190 nan 0.000 0.443 216 N N 2.255 120.750 118.700 -0.342 0.000 2.454 216 N HA 0.081 4.820 4.740 -0.000 0.000 0.260 216 N C 0.448 175.744 175.510 -0.357 0.000 1.218 216 N CA 0.204 53.039 53.050 -0.358 0.000 0.904 216 N CB 1.283 39.496 38.487 -0.457 0.000 1.065 216 N HN 0.797 nan 8.380 nan 0.000 0.462 217 Q N 2.067 121.803 119.800 -0.107 0.000 2.319 217 Q HA 0.068 4.408 4.340 -0.000 0.000 0.209 217 Q C 0.276 176.366 176.000 0.151 0.000 0.884 217 Q CA 0.376 56.229 55.803 0.083 0.000 0.938 217 Q CB 0.536 29.345 28.738 0.119 0.000 1.098 217 Q HN 0.588 nan 8.270 nan 0.000 0.517 218 E N 0.360 120.612 120.200 0.085 0.000 2.431 218 E HA 0.273 4.623 4.350 -0.000 0.000 0.200 218 E C -0.335 176.374 176.600 0.182 0.000 0.995 218 E CA 0.178 56.683 56.400 0.174 0.000 0.915 218 E CB 0.996 30.851 29.700 0.257 0.000 0.930 218 E HN 0.207 nan 8.360 nan 0.000 0.496 219 A N -0.289 122.566 122.820 0.059 0.000 2.520 219 A HA 0.672 4.992 4.320 -0.000 0.000 0.298 219 A C -1.885 175.686 177.584 -0.021 0.000 1.051 219 A CA -0.692 51.439 52.037 0.156 0.000 0.690 219 A CB 0.808 19.928 19.000 0.200 0.000 1.281 219 A HN 0.127 nan 8.150 nan 0.000 0.402 220 W N 0.437 121.840 121.300 0.172 0.000 2.915 220 W HA 0.533 5.192 4.660 -0.000 0.000 0.337 220 W C -0.889 175.527 176.519 -0.170 0.000 1.102 220 W CA -0.049 57.272 57.345 -0.040 0.000 1.224 220 W CB 2.103 31.537 29.460 -0.044 0.000 1.416 220 W HN 0.667 nan 8.180 nan 0.000 0.503 221 D N 2.139 122.390 120.400 -0.248 0.000 2.485 221 D HA 0.163 4.802 4.640 -0.000 0.000 0.229 221 D C 0.322 176.639 176.300 0.028 0.000 1.101 221 D CA 0.154 54.001 54.000 -0.256 0.000 0.906 221 D CB -0.226 40.197 40.800 -0.628 0.000 1.019 221 D HN 0.505 nan 8.370 nan 0.000 0.516 222 H N 2.444 121.563 119.070 0.083 0.000 2.770 222 H HA -0.191 4.365 4.556 -0.000 0.000 0.309 222 H C 1.255 176.658 175.328 0.126 0.000 1.206 222 H CA 1.103 57.203 56.048 0.086 0.000 1.147 222 H CB -1.303 28.508 29.762 0.082 0.000 1.422 222 H HN 0.767 nan 8.280 nan 0.000 0.420 223 G N -0.957 107.943 108.800 0.166 0.000 2.179 223 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 223 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 223 G C 0.422 175.461 174.900 0.232 0.000 0.977 223 G CA 0.520 45.676 45.100 0.094 0.000 0.641 223 G HN 0.449 nan 8.290 nan 0.000 0.533 224 L N 0.179 121.551 121.223 0.248 0.000 2.400 224 L HA 0.816 5.156 4.340 -0.000 0.000 0.264 224 L C 1.098 178.028 176.870 0.101 0.000 1.061 224 L CA -0.570 54.349 54.840 0.132 0.000 0.799 224 L CB 1.264 43.297 42.059 -0.043 0.000 1.240 224 L HN 0.275 nan 8.230 nan 0.000 0.461 225 A N -0.020 122.736 122.820 -0.106 0.000 2.242 225 A HA 0.649 4.968 4.320 -0.000 0.000 0.304 225 A C -1.273 176.009 177.584 -0.503 0.000 1.100 225 A CA -0.130 51.679 52.037 -0.381 0.000 0.860 225 A CB 0.608 19.461 19.000 -0.245 0.000 1.168 225 A HN 0.590 nan 8.150 nan 0.000 0.503 226 Y N -0.637 119.384 120.300 -0.465 0.000 2.553 226 Y HA 0.435 4.985 4.550 -0.000 0.000 0.347 226 Y C -2.112 173.491 175.900 -0.496 0.000 1.019 226 Y CA -2.277 55.543 58.100 -0.467 0.000 1.032 226 Y CB 2.732 40.941 38.460 -0.419 0.000 1.284 226 Y HN 0.508 nan 8.280 nan 0.000 0.466 227 P HA 0.111 nan 4.420 nan 0.000 0.273 227 P C -2.781 174.377 177.300 -0.237 0.000 1.250 227 P CA -1.473 61.431 63.100 -0.327 0.000 0.793 227 P CB 0.141 31.619 31.700 -0.370 0.000 1.011 228 P HA 0.171 nan 4.420 nan 0.000 0.272 228 P C -0.366 176.899 177.300 -0.058 0.000 1.223 228 P CA 0.104 63.112 63.100 -0.153 0.000 0.784 228 P CB 0.119 31.778 31.700 -0.069 0.000 0.923 229 F N 0.727 120.714 119.950 0.062 0.000 2.459 229 F HA 0.175 4.702 4.527 -0.000 0.000 0.346 229 F C 1.444 177.243 175.800 -0.002 0.000 1.128 229 F CA 0.137 58.139 58.000 0.003 0.000 1.268 229 F CB -0.183 38.783 39.000 -0.057 0.000 1.161 229 F HN 0.227 nan 8.300 nan 0.000 0.583 230 N N 1.849 120.673 118.700 0.207 0.000 2.488 230 N HA 0.058 4.798 4.740 -0.000 0.000 0.274 230 N C 0.506 176.059 175.510 0.072 0.000 1.111 230 N CA 0.011 53.121 53.050 0.101 0.000 0.974 230 N CB 0.450 38.977 38.487 0.066 0.000 1.089 230 N HN 0.389 nan 8.380 nan 0.000 0.465 231 N N 1.345 120.074 118.700 0.049 0.000 2.457 231 N HA -0.061 4.679 4.740 -0.000 0.000 0.180 231 N C 0.158 175.670 175.510 0.004 0.000 1.050 231 N CA 0.089 53.155 53.050 0.027 0.000 0.906 231 N CB -0.072 38.431 38.487 0.026 0.000 0.968 231 N HN 0.374 nan 8.380 nan 0.000 0.445 232 V N 1.759 121.673 119.914 0.000 0.000 2.625 232 V HA -0.102 4.018 4.120 -0.000 0.000 0.305 232 V C -0.071 176.009 176.094 -0.022 0.000 1.055 232 V CA 0.577 62.868 62.300 -0.015 0.000 1.209 232 V CB -0.084 31.727 31.823 -0.021 0.000 0.877 232 V HN 0.143 nan 8.190 nan 0.000 0.489 233 K N 6.992 127.376 120.400 -0.026 0.000 2.422 233 K HA 0.580 4.900 4.320 -0.000 0.000 0.251 233 K C -2.344 174.234 176.600 -0.036 0.000 0.933 233 K CA -1.535 54.736 56.287 -0.027 0.000 0.798 233 K CB 1.818 34.306 32.500 -0.020 0.000 1.238 233 K HN 0.694 nan 8.250 nan 0.000 0.428 234 P HA 0.064 nan 4.420 nan 0.000 0.271 234 P C -0.822 176.455 177.300 -0.039 0.000 1.218 234 P CA -0.325 62.758 63.100 -0.030 0.000 0.780 234 P CB 1.204 32.880 31.700 -0.041 0.000 0.901 235 S N 1.807 117.501 115.700 -0.010 0.000 2.454 235 S HA 0.438 4.908 4.470 -0.000 0.000 0.306 235 S C -1.706 172.905 174.600 0.019 0.000 1.100 235 S CA -1.633 56.561 58.200 -0.011 0.000 1.087 235 S CB 1.072 64.266 63.200 -0.009 0.000 1.019 235 S HN 0.168 nan 8.310 nan 0.000 0.480 236 P HA 0.013 nan 4.420 nan 0.000 0.217 236 P C 1.201 178.587 177.300 0.144 0.000 1.150 236 P CA 0.862 63.956 63.100 -0.011 0.000 0.832 236 P CB -0.031 31.456 31.700 -0.356 0.000 0.787 237 c N -0.322 118.360 118.600 0.136 0.000 2.429 237 c HA -0.104 4.466 4.570 -0.000 0.000 0.277 237 c C 2.519 176.683 174.090 0.123 0.000 1.262 237 c CA 0.791 57.213 56.329 0.154 0.000 1.733 237 c CB -1.581 40.980 42.510 0.085 0.000 2.010 237 c HN 0.350 nan 8.230 nan 0.000 0.483 238 E N -0.152 120.098 120.200 0.084 0.000 2.153 238 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 238 E C 1.770 178.438 176.600 0.113 0.000 0.988 238 E CA 1.131 57.570 56.400 0.066 0.000 0.811 238 E CB -0.281 29.445 29.700 0.044 0.000 0.746 238 E HN 0.786 nan 8.360 nan 0.000 0.466 239 F N 1.521 121.488 119.950 0.028 0.000 2.293 239 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 239 F C 1.884 177.713 175.800 0.049 0.000 1.086 239 F CA 0.803 58.835 58.000 0.054 0.000 1.375 239 F CB 0.086 39.157 39.000 0.118 0.000 1.045 239 F HN -0.025 nan 8.300 nan 0.000 0.516 240 I N -1.445 119.196 120.570 0.118 0.000 3.564 240 I HA 0.126 4.295 4.170 -0.000 0.000 0.294 240 I C -0.078 176.013 176.117 -0.043 0.000 1.289 240 I CA 0.554 61.868 61.300 0.023 0.000 1.325 240 I CB -0.504 37.536 38.000 0.068 0.000 1.039 240 I HN 0.160 nan 8.210 nan 0.000 0.474 241 N N 0.553 119.187 118.700 -0.110 0.000 3.321 241 N HA -0.003 4.737 4.740 -0.000 0.000 0.217 241 N C 0.533 175.920 175.510 -0.204 0.000 1.405 241 N CA 0.638 53.545 53.050 -0.239 0.000 0.799 241 N CB 0.617 38.804 38.487 -0.500 0.000 1.619 241 N HN 0.222 nan 8.380 nan 0.000 0.648 242 T N -1.618 112.824 114.554 -0.187 0.000 3.072 242 T HA -0.039 4.310 4.350 -0.000 0.000 0.266 242 T C 1.426 176.059 174.700 -0.112 0.000 1.127 242 T CA 1.458 63.482 62.100 -0.127 0.000 1.107 242 T CB -0.023 68.762 68.868 -0.139 0.000 0.910 242 T HN 0.276 nan 8.240 nan 0.000 0.513 243 T N 1.895 116.357 114.554 -0.153 0.000 2.851 243 T HA 0.246 4.595 4.350 -0.000 0.000 0.262 243 T C 2.448 177.123 174.700 -0.042 0.000 1.043 243 T CA 0.941 62.966 62.100 -0.124 0.000 1.140 243 T CB -0.570 68.197 68.868 -0.169 0.000 0.872 243 T HN 0.573 nan 8.240 nan 0.000 0.446 244 A N 2.118 124.846 122.820 -0.154 0.000 2.014 244 A HA -0.070 4.249 4.320 -0.000 0.000 0.218 244 A C 1.196 178.730 177.584 -0.082 0.000 1.163 244 A CA 1.327 53.278 52.037 -0.143 0.000 0.652 244 A CB -0.954 17.850 19.000 -0.327 0.000 0.808 244 A HN 0.824 nan 8.150 nan 0.000 0.449 245 H N -1.103 117.869 119.070 -0.164 0.000 2.529 245 H HA -0.147 4.409 4.556 -0.000 0.000 0.319 245 H C -0.822 174.385 175.328 -0.203 0.000 1.072 245 H CA 0.647 56.605 56.048 -0.151 0.000 1.126 245 H CB -2.881 26.803 29.762 -0.130 0.000 1.474 245 H HN 0.230 nan 8.280 nan 0.000 0.406 246 V N 2.142 121.900 119.914 -0.259 0.000 2.408 246 V HA 0.257 4.377 4.120 -0.000 0.000 0.267 246 V C -1.608 174.293 176.094 -0.322 0.000 1.047 246 V CA -1.040 61.040 62.300 -0.367 0.000 0.937 246 V CB 1.223 32.957 31.823 -0.147 0.000 0.999 246 V HN 0.281 nan 8.190 nan 0.000 0.472 247 P HA 0.316 nan 4.420 nan 0.000 0.277 247 P C -0.094 177.104 177.300 -0.171 0.000 1.271 247 P CA -0.694 62.227 63.100 -0.299 0.000 0.795 247 P CB 0.550 32.046 31.700 -0.340 0.000 1.101 248 c N -0.347 118.214 118.600 -0.065 0.000 2.705 248 c HA 0.254 4.823 4.570 -0.000 0.000 0.348 248 c C 0.655 174.709 174.090 -0.061 0.000 1.386 248 c CA 0.193 56.487 56.329 -0.059 0.000 2.361 248 c CB -1.216 41.337 42.510 0.071 0.000 2.486 248 c HN 0.361 nan 8.230 nan 0.000 0.728 249 F N 0.443 120.432 119.950 0.065 0.000 2.399 249 F HA 0.375 4.902 4.527 -0.000 0.000 0.328 249 F C 0.578 176.342 175.800 -0.061 0.000 1.084 249 F CA -0.221 57.763 58.000 -0.027 0.000 1.053 249 F CB 0.560 39.491 39.000 -0.115 0.000 1.209 249 F HN 0.454 nan 8.300 nan 0.000 0.502 250 Q N 1.941 121.834 119.800 0.156 0.000 2.372 250 Q HA 0.693 5.033 4.340 -0.000 0.000 0.259 250 Q C -1.072 174.903 176.000 -0.041 0.000 0.993 250 Q CA -0.496 55.328 55.803 0.035 0.000 0.854 250 Q CB 1.439 30.197 28.738 0.033 0.000 1.231 250 Q HN 0.838 nan 8.270 nan 0.000 0.462 251 A N 1.865 124.629 122.820 -0.093 0.000 2.483 251 A HA 0.709 5.029 4.320 -0.000 0.000 0.286 251 A C 0.796 178.331 177.584 -0.081 0.000 1.207 251 A CA -0.067 51.890 52.037 -0.134 0.000 0.764 251 A CB 0.707 19.512 19.000 -0.324 0.000 1.341 251 A HN 0.744 nan 8.150 nan 0.000 0.428 252 G N -0.951 107.824 108.800 -0.042 0.000 2.501 252 G HA2 0.138 4.097 3.960 -0.000 0.000 0.220 252 G HA3 0.138 4.097 3.960 -0.000 0.000 0.220 252 G C 0.099 174.998 174.900 -0.001 0.000 1.114 252 G CA 1.564 46.663 45.100 -0.002 0.000 0.757 252 G HN 0.779 nan 8.290 nan 0.000 0.559 253 D N -1.838 118.542 120.400 -0.034 0.000 2.646 253 D HA 0.391 5.031 4.640 -0.000 0.000 0.245 253 D C 1.297 177.482 176.300 -0.192 0.000 1.099 253 D CA -0.153 53.783 54.000 -0.108 0.000 0.849 253 D CB 1.622 42.386 40.800 -0.060 0.000 1.448 253 D HN -0.066 nan 8.370 nan 0.000 0.489 254 S N 2.557 118.099 115.700 -0.264 0.000 2.555 254 S HA -0.041 4.429 4.470 -0.000 0.000 0.230 254 S C 1.137 175.607 174.600 -0.217 0.000 0.978 254 S CA 0.302 58.377 58.200 -0.208 0.000 0.934 254 S CB -0.060 63.051 63.200 -0.148 0.000 0.766 254 S HN 0.470 nan 8.310 nan 0.000 0.533 255 R N 0.633 120.938 120.500 -0.326 0.000 2.393 255 R HA 0.524 4.864 4.340 -0.000 0.000 0.244 255 R C 2.006 178.240 176.300 -0.111 0.000 0.920 255 R CA 0.541 56.500 56.100 -0.236 0.000 1.076 255 R CB -0.442 29.587 30.300 -0.452 0.000 1.119 255 R HN 0.414 nan 8.270 nan 0.000 0.524 256 A N 0.449 123.173 122.820 -0.159 0.000 2.032 256 A HA -0.156 4.164 4.320 -0.000 0.000 0.221 256 A C 1.594 179.127 177.584 -0.086 0.000 1.165 256 A CA 1.790 53.673 52.037 -0.256 0.000 0.645 256 A CB -0.193 18.332 19.000 -0.792 0.000 0.807 256 A HN 0.239 nan 8.150 nan 0.000 0.453 257 S N -0.849 114.818 115.700 -0.054 0.000 2.557 257 S HA 0.055 4.524 4.470 -0.000 0.000 0.223 257 S C 1.446 175.841 174.600 -0.343 0.000 0.969 257 S CA 0.115 58.292 58.200 -0.038 0.000 0.927 257 S CB 0.165 63.423 63.200 0.096 0.000 0.806 257 S HN 0.638 nan 8.310 nan 0.000 0.489 258 E N 2.176 122.064 120.200 -0.521 0.000 2.273 258 E HA -0.186 4.163 4.350 -0.000 0.000 0.198 258 E C 0.248 176.569 176.600 -0.466 0.000 1.002 258 E CA 1.163 56.988 56.400 -0.958 0.000 0.828 258 E CB 0.151 29.575 29.700 -0.459 0.000 0.747 258 E HN 0.736 nan 8.360 nan 0.000 0.491 259 Q N -1.689 118.007 119.800 -0.173 0.000 2.403 259 Q HA 0.250 4.590 4.340 -0.000 0.000 0.267 259 Q C 0.449 176.440 176.000 -0.016 0.000 0.991 259 Q CA -0.293 55.511 55.803 0.002 0.000 0.906 259 Q CB 0.195 29.013 28.738 0.134 0.000 1.422 259 Q HN -0.035 nan 8.270 nan 0.000 0.400 260 I N 1.083 121.634 120.570 -0.032 0.000 2.236 260 I HA -0.293 3.877 4.170 -0.000 0.000 0.249 260 I C 0.630 176.750 176.117 0.005 0.000 1.102 260 I CA 1.526 62.811 61.300 -0.026 0.000 1.365 260 I CB 0.151 38.101 38.000 -0.084 0.000 1.051 260 I HN 0.834 nan 8.210 nan 0.000 0.420 261 L N -0.249 120.977 121.223 0.004 0.000 2.217 261 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 261 L C 2.065 178.957 176.870 0.036 0.000 1.107 261 L CA 1.365 56.219 54.840 0.022 0.000 0.783 261 L CB -1.247 40.827 42.059 0.024 0.000 0.919 261 L HN 0.339 nan 8.230 nan 0.000 0.442 262 L N -0.086 121.155 121.223 0.030 0.000 2.023 262 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 262 L C 2.538 179.486 176.870 0.131 0.000 1.073 262 L CA 1.968 56.838 54.840 0.049 0.000 0.745 262 L CB -1.041 41.036 42.059 0.029 0.000 0.900 262 L HN 0.142 nan 8.230 nan 0.000 0.435 263 A N -1.166 121.723 122.820 0.115 0.000 1.917 263 A HA -0.253 4.066 4.320 -0.000 0.000 0.219 263 A C 2.247 179.871 177.584 0.067 0.000 1.182 263 A CA 2.514 54.625 52.037 0.123 0.000 0.633 263 A CB -1.375 17.752 19.000 0.211 0.000 0.819 263 A HN 0.560 nan 8.150 nan 0.000 0.448 264 T N -0.279 114.314 114.554 0.064 0.000 2.622 264 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 264 T C 1.851 176.587 174.700 0.060 0.000 1.047 264 T CA 1.852 63.980 62.100 0.046 0.000 1.159 264 T CB -0.590 68.306 68.868 0.048 0.000 0.863 264 T HN 0.174 nan 8.240 nan 0.000 0.422 265 V N 1.170 121.141 119.914 0.094 0.000 2.594 265 V HA -0.187 3.933 4.120 -0.000 0.000 0.253 265 V C 2.379 178.503 176.094 0.049 0.000 1.069 265 V CA 1.468 63.846 62.300 0.130 0.000 1.082 265 V CB -0.761 31.163 31.823 0.169 0.000 0.680 265 V HN 0.594 nan 8.190 nan 0.000 0.469 266 H N 0.450 119.506 119.070 -0.023 0.000 2.387 266 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 266 H C 2.448 177.697 175.328 -0.132 0.000 1.090 266 H CA 2.072 58.072 56.048 -0.080 0.000 1.332 266 H CB -0.098 29.600 29.762 -0.107 0.000 1.386 266 H HN 0.459 nan 8.280 nan 0.000 0.516 267 T N 1.247 115.780 114.554 -0.034 0.000 2.777 267 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 267 T C 2.211 176.852 174.700 -0.099 0.000 1.040 267 T CA 0.408 62.435 62.100 -0.122 0.000 1.141 267 T CB -0.222 68.560 68.868 -0.143 0.000 0.868 267 T HN 0.032 nan 8.240 nan 0.000 0.444 268 L N 0.997 122.183 121.223 -0.062 0.000 2.012 268 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 268 L C 2.362 179.168 176.870 -0.107 0.000 1.073 268 L CA 1.469 56.254 54.840 -0.092 0.000 0.748 268 L CB -1.279 40.749 42.059 -0.052 0.000 0.891 268 L HN 0.297 nan 8.230 nan 0.000 0.431 269 L N -1.795 119.394 121.223 -0.056 0.000 2.027 269 L HA -0.216 4.124 4.340 -0.000 0.000 0.206 269 L C 2.489 179.302 176.870 -0.096 0.000 1.074 269 L CA 0.621 55.422 54.840 -0.065 0.000 0.745 269 L CB -0.666 41.369 42.059 -0.040 0.000 0.898 269 L HN 0.237 nan 8.230 nan 0.000 0.433 270 L N 0.178 121.338 121.223 -0.106 0.000 2.043 270 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 270 L C 2.770 179.600 176.870 -0.067 0.000 1.075 270 L CA 1.796 56.569 54.840 -0.113 0.000 0.752 270 L CB -0.432 41.546 42.059 -0.135 0.000 0.891 270 L HN 0.090 nan 8.230 nan 0.000 0.432 271 R N -0.830 119.612 120.500 -0.097 0.000 2.075 271 R HA -0.190 4.150 4.340 -0.000 0.000 0.232 271 R C 2.215 178.455 176.300 -0.100 0.000 1.126 271 R CA 1.272 57.313 56.100 -0.098 0.000 0.963 271 R CB -0.407 29.811 30.300 -0.136 0.000 0.858 271 R HN 0.335 nan 8.270 nan 0.000 0.435 272 E N 0.232 120.349 120.200 -0.138 0.000 2.130 272 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 272 E C 1.647 178.180 176.600 -0.111 0.000 0.998 272 E CA 1.814 58.106 56.400 -0.181 0.000 0.806 272 E CB -0.153 29.379 29.700 -0.280 0.000 0.738 272 E HN 0.461 nan 8.360 nan 0.000 0.459 273 H N -0.115 118.889 119.070 -0.111 0.000 2.261 273 H HA -0.029 4.527 4.556 -0.000 0.000 0.301 273 H C 1.771 177.078 175.328 -0.036 0.000 1.067 273 H CA 2.237 58.260 56.048 -0.042 0.000 1.297 273 H CB -0.278 29.495 29.762 0.019 0.000 1.377 273 H HN 0.122 nan 8.280 nan 0.000 0.492 274 N N 0.701 119.429 118.700 0.046 0.000 2.091 274 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 274 N C 2.054 177.501 175.510 -0.106 0.000 1.021 274 N CA 1.181 54.221 53.050 -0.017 0.000 0.862 274 N CB -0.458 38.064 38.487 0.058 0.000 1.018 274 N HN 0.390 nan 8.380 nan 0.000 0.429 275 R N 0.347 120.780 120.500 -0.112 0.000 2.103 275 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 275 R C 1.865 178.064 176.300 -0.169 0.000 1.132 275 R CA 1.310 57.331 56.100 -0.132 0.000 0.925 275 R CB -0.465 29.744 30.300 -0.152 0.000 0.842 275 R HN 0.095 nan 8.270 nan 0.000 0.430 276 L N 0.560 121.651 121.223 -0.220 0.000 2.013 276 L HA -0.182 4.157 4.340 -0.000 0.000 0.212 276 L C 2.596 179.325 176.870 -0.235 0.000 1.073 276 L CA 2.133 56.820 54.840 -0.255 0.000 0.753 276 L CB -1.359 40.523 42.059 -0.294 0.000 0.890 276 L HN 0.312 nan 8.230 nan 0.000 0.432 277 A N 0.281 122.928 122.820 -0.289 0.000 1.892 277 A HA -0.264 4.055 4.320 -0.000 0.000 0.218 277 A C 2.343 179.871 177.584 -0.093 0.000 1.188 277 A CA 2.269 54.185 52.037 -0.201 0.000 0.631 277 A CB -0.568 18.292 19.000 -0.233 0.000 0.822 277 A HN 0.601 nan 8.150 nan 0.000 0.447 278 R N -1.732 118.713 120.500 -0.091 0.000 2.200 278 R HA 0.090 4.430 4.340 -0.000 0.000 0.208 278 R C 1.325 177.581 176.300 -0.074 0.000 1.033 278 R CA 1.024 57.088 56.100 -0.060 0.000 1.000 278 R CB -0.192 30.082 30.300 -0.044 0.000 0.906 278 R HN 0.282 nan 8.270 nan 0.000 0.462 279 E N 1.406 121.546 120.200 -0.100 0.000 2.216 279 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 279 E C 2.011 178.545 176.600 -0.110 0.000 0.988 279 E CA 0.671 57.008 56.400 -0.105 0.000 0.834 279 E CB 0.031 29.654 29.700 -0.129 0.000 0.772 279 E HN 0.393 nan 8.360 nan 0.000 0.479 280 L N 0.506 121.664 121.223 -0.108 0.000 2.131 280 L HA -0.113 4.227 4.340 -0.000 0.000 0.206 280 L C 2.415 179.204 176.870 -0.134 0.000 1.087 280 L CA 0.840 55.623 54.840 -0.096 0.000 0.767 280 L CB -0.274 41.796 42.059 0.019 0.000 0.917 280 L HN 0.012 nan 8.230 nan 0.000 0.441 281 K N 0.846 121.203 120.400 -0.072 0.000 2.032 281 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 281 K C 2.134 178.668 176.600 -0.110 0.000 1.048 281 K CA 1.539 57.783 56.287 -0.072 0.000 0.927 281 K CB -0.119 32.369 32.500 -0.020 0.000 0.712 281 K HN 0.061 nan 8.250 nan 0.000 0.441 282 R N 0.002 120.448 120.500 -0.091 0.000 2.094 282 R HA -0.111 4.229 4.340 -0.000 0.000 0.239 282 R C 2.433 178.672 176.300 -0.102 0.000 1.137 282 R CA 2.060 58.113 56.100 -0.078 0.000 0.943 282 R CB -0.645 29.616 30.300 -0.065 0.000 0.850 282 R HN 0.204 nan 8.270 nan 0.000 0.433 283 L N 0.410 121.550 121.223 -0.138 0.000 2.093 283 L HA -0.128 4.211 4.340 -0.000 0.000 0.208 283 L C 0.330 177.047 176.870 -0.256 0.000 1.085 283 L CA 0.916 55.661 54.840 -0.159 0.000 0.755 283 L CB -0.143 41.827 42.059 -0.149 0.000 0.904 283 L HN 0.199 nan 8.230 nan 0.000 0.435 284 N N -0.823 117.610 118.700 -0.445 0.000 2.844 284 N HA 0.188 4.928 4.740 -0.000 0.000 0.268 284 N C -2.100 173.082 175.510 -0.547 0.000 1.574 284 N CA -1.035 51.553 53.050 -0.769 0.000 0.838 284 N CB 1.083 38.436 38.487 -1.889 0.000 1.177 284 N HN -0.092 nan 8.380 nan 0.000 0.495 285 P HA -0.162 nan 4.420 nan 0.000 0.218 285 P C 1.182 178.523 177.300 0.069 0.000 1.146 285 P CA 1.358 64.453 63.100 -0.007 0.000 0.813 285 P CB 0.092 31.828 31.700 0.060 0.000 0.778 286 H N -4.262 114.813 119.070 0.008 0.000 2.535 286 H HA 0.008 4.564 4.556 -0.000 0.000 0.273 286 H C 0.330 175.813 175.328 0.258 0.000 0.983 286 H CA -0.175 55.939 56.048 0.110 0.000 1.238 286 H CB -1.151 28.677 29.762 0.111 0.000 1.412 286 H HN 0.088 nan 8.280 nan 0.000 0.562 287 W N 3.441 124.569 121.300 -0.287 0.000 2.295 287 W HA 0.077 4.737 4.660 -0.000 0.000 0.335 287 W C 0.888 177.385 176.519 -0.036 0.000 1.351 287 W CA -0.465 56.792 57.345 -0.147 0.000 1.273 287 W CB 0.036 29.396 29.460 -0.166 0.000 1.214 287 W HN 0.110 nan 8.180 nan 0.000 0.563 288 D N 1.026 121.526 120.400 0.166 0.000 2.360 288 D HA 0.092 4.732 4.640 -0.000 0.000 0.242 288 D C 1.516 177.863 176.300 0.078 0.000 1.184 288 D CA 0.623 54.680 54.000 0.095 0.000 0.930 288 D CB 1.313 42.144 40.800 0.052 0.000 1.161 288 D HN 0.498 nan 8.370 nan 0.000 0.447 289 G N 1.532 110.370 108.800 0.063 0.000 2.513 289 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.219 289 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.219 289 G C 1.335 176.270 174.900 0.058 0.000 1.160 289 G CA 1.408 46.545 45.100 0.062 0.000 0.767 289 G HN 0.581 nan 8.290 nan 0.000 0.571 290 E N 0.047 120.258 120.200 0.019 0.000 2.085 290 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 290 E C 2.490 179.063 176.600 -0.044 0.000 0.994 290 E CA 1.152 57.554 56.400 0.004 0.000 0.801 290 E CB -0.351 29.337 29.700 -0.021 0.000 0.743 290 E HN 0.442 nan 8.360 nan 0.000 0.453 291 M N -0.443 119.093 119.600 -0.107 0.000 2.296 291 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 291 M C 1.369 177.530 176.300 -0.232 0.000 1.064 291 M CA 0.526 55.659 55.300 -0.279 0.000 1.109 291 M CB -0.014 32.279 32.600 -0.512 0.000 1.396 291 M HN 0.231 nan 8.290 nan 0.000 0.430 292 L N -0.780 120.435 121.223 -0.013 0.000 1.973 292 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 292 L C 2.346 179.217 176.870 0.003 0.000 1.073 292 L CA 2.008 56.894 54.840 0.077 0.000 0.746 292 L CB -1.996 40.136 42.059 0.122 0.000 0.891 292 L HN 0.287 nan 8.230 nan 0.000 0.433 293 Y N 1.086 121.359 120.300 -0.044 0.000 2.030 293 Y HA -0.363 4.187 4.550 -0.000 0.000 0.272 293 Y C 2.791 178.610 175.900 -0.135 0.000 1.185 293 Y CA 2.176 60.283 58.100 0.013 0.000 1.120 293 Y CB -0.317 38.137 38.460 -0.010 0.000 0.955 293 Y HN 0.282 nan 8.280 nan 0.000 0.495 294 Q N 0.150 119.708 119.800 -0.403 0.000 2.061 294 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 294 Q C 2.143 177.759 176.000 -0.640 0.000 0.984 294 Q CA 1.878 57.199 55.803 -0.803 0.000 0.846 294 Q CB -0.431 27.531 28.738 -1.294 0.000 0.902 294 Q HN 0.642 nan 8.270 nan 0.000 0.421 295 E N 0.299 120.280 120.200 -0.366 0.000 2.152 295 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 295 E C 1.871 178.427 176.600 -0.073 0.000 0.983 295 E CA 0.867 57.229 56.400 -0.064 0.000 0.818 295 E CB -0.052 29.701 29.700 0.088 0.000 0.758 295 E HN 0.295 nan 8.360 nan 0.000 0.467 296 A N 1.682 124.396 122.820 -0.177 0.000 1.855 296 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 296 A C 2.236 179.749 177.584 -0.118 0.000 1.191 296 A CA 1.657 53.569 52.037 -0.208 0.000 0.613 296 A CB -0.523 18.230 19.000 -0.411 0.000 0.829 296 A HN 0.145 nan 8.150 nan 0.000 0.442 297 R N -0.066 120.264 120.500 -0.283 0.000 2.094 297 R HA -0.231 4.109 4.340 -0.000 0.000 0.239 297 R C 2.281 178.453 176.300 -0.213 0.000 1.137 297 R CA 2.259 58.042 56.100 -0.528 0.000 0.943 297 R CB -0.343 29.253 30.300 -1.172 0.000 0.850 297 R HN 0.515 nan 8.270 nan 0.000 0.433 298 K N 0.250 120.570 120.400 -0.134 0.000 2.044 298 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 298 K C 2.084 178.871 176.600 0.311 0.000 1.049 298 K CA 2.079 58.431 56.287 0.110 0.000 0.927 298 K CB -0.181 32.444 32.500 0.208 0.000 0.713 298 K HN 0.264 nan 8.250 nan 0.000 0.443 299 I N 0.808 121.511 120.570 0.223 0.000 2.286 299 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 299 I C 2.231 178.404 176.117 0.093 0.000 1.115 299 I CA 0.545 61.910 61.300 0.109 0.000 1.392 299 I CB -0.179 37.715 38.000 -0.177 0.000 1.065 299 I HN 0.248 nan 8.210 nan 0.000 0.418 300 L N 0.913 122.208 121.223 0.121 0.000 2.072 300 L HA -0.000 4.340 4.340 -0.000 0.000 0.205 300 L C 2.307 179.354 176.870 0.295 0.000 1.079 300 L CA 2.086 57.044 54.840 0.197 0.000 0.752 300 L CB -1.224 40.990 42.059 0.259 0.000 0.906 300 L HN 0.151 nan 8.230 nan 0.000 0.436 301 G N -1.270 107.680 108.800 0.248 0.000 2.421 301 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 301 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 301 G C 1.594 176.595 174.900 0.169 0.000 1.143 301 G CA 0.652 45.892 45.100 0.233 0.000 0.784 301 G HN 0.606 nan 8.290 nan 0.000 0.541 302 A N 0.756 123.671 122.820 0.159 0.000 1.908 302 A HA 0.001 4.320 4.320 -0.000 0.000 0.218 302 A C 2.117 179.594 177.584 -0.178 0.000 1.181 302 A CA 1.602 53.625 52.037 -0.023 0.000 0.627 302 A CB -0.582 18.420 19.000 0.003 0.000 0.818 302 A HN 0.445 nan 8.150 nan 0.000 0.445 303 F N 0.847 120.721 119.950 -0.127 0.000 2.095 303 F HA -0.179 4.347 4.527 -0.000 0.000 0.298 303 F C 1.899 177.724 175.800 0.042 0.000 1.104 303 F CA 1.962 59.907 58.000 -0.092 0.000 1.232 303 F CB -0.252 38.731 39.000 -0.028 0.000 0.987 303 F HN 0.187 nan 8.300 nan 0.000 0.475 304 I N 0.086 120.728 120.570 0.120 0.000 2.493 304 I HA -0.259 3.911 4.170 -0.000 0.000 0.254 304 I C 2.295 178.541 176.117 0.215 0.000 1.160 304 I CA 1.038 62.482 61.300 0.240 0.000 1.445 304 I CB -0.627 37.579 38.000 0.344 0.000 1.086 304 I HN 0.318 nan 8.210 nan 0.000 0.433 305 Q N 0.754 120.595 119.800 0.069 0.000 2.049 305 Q HA -0.122 4.217 4.340 -0.000 0.000 0.198 305 Q C 2.450 178.482 176.000 0.054 0.000 0.971 305 Q CA 1.397 57.250 55.803 0.083 0.000 0.833 305 Q CB -0.025 28.536 28.738 -0.295 0.000 0.896 305 Q HN 0.517 nan 8.270 nan 0.000 0.434 306 I N 0.964 121.334 120.570 -0.334 0.000 2.099 306 I HA -0.294 3.875 4.170 -0.000 0.000 0.239 306 I C 2.225 178.289 176.117 -0.087 0.000 1.066 306 I CA 0.981 62.078 61.300 -0.338 0.000 1.324 306 I CB -0.430 37.190 38.000 -0.634 0.000 1.037 306 I HN 0.222 nan 8.210 nan 0.000 0.401 307 I N 0.679 121.107 120.570 -0.236 0.000 2.264 307 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 307 I C 2.627 178.772 176.117 0.046 0.000 1.111 307 I CA 1.810 62.983 61.300 -0.211 0.000 1.382 307 I CB -1.845 35.770 38.000 -0.642 0.000 1.060 307 I HN 0.279 nan 8.210 nan 0.000 0.418 308 T N 0.783 115.512 114.554 0.292 0.000 2.777 308 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 308 T C 1.748 176.602 174.700 0.256 0.000 1.040 308 T CA 1.359 63.737 62.100 0.464 0.000 1.141 308 T CB -0.296 68.917 68.868 0.575 0.000 0.868 308 T HN 0.104 nan 8.240 nan 0.000 0.444 309 F N 0.603 120.701 119.950 0.247 0.000 2.473 309 F HA 0.290 4.816 4.527 -0.000 0.000 0.294 309 F C 2.490 178.405 175.800 0.192 0.000 1.103 309 F CA 0.305 58.456 58.000 0.252 0.000 1.442 309 F CB -0.052 39.230 39.000 0.471 0.000 1.097 309 F HN -0.070 nan 8.300 nan 0.000 0.547 310 R N 0.120 120.806 120.500 0.310 0.000 2.064 310 R HA -0.045 4.295 4.340 -0.000 0.000 0.221 310 R C 1.234 177.614 176.300 0.133 0.000 1.136 310 R CA 1.577 57.805 56.100 0.213 0.000 0.980 310 R CB -0.062 30.345 30.300 0.178 0.000 0.876 310 R HN 0.085 nan 8.270 nan 0.000 0.437 311 D N -1.027 119.448 120.400 0.125 0.000 2.338 311 D HA -0.061 4.578 4.640 -0.000 0.000 0.208 311 D C 1.163 177.452 176.300 -0.019 0.000 0.997 311 D CA 0.540 54.627 54.000 0.146 0.000 0.880 311 D CB 0.024 41.022 40.800 0.331 0.000 0.980 311 D HN 0.180 nan 8.370 nan 0.000 0.509 312 Y N 1.723 121.866 120.300 -0.262 0.000 2.197 312 Y HA 0.106 4.656 4.550 -0.000 0.000 0.281 312 Y C 2.168 177.962 175.900 -0.176 0.000 1.099 312 Y CA 0.814 58.678 58.100 -0.393 0.000 1.092 312 Y CB -0.655 37.646 38.460 -0.265 0.000 1.028 312 Y HN -0.255 nan 8.280 nan 0.000 0.489 313 L N 0.597 121.619 121.223 -0.335 0.000 2.089 313 L HA -0.225 4.114 4.340 -0.000 0.000 0.213 313 L C -0.640 176.060 176.870 -0.283 0.000 1.079 313 L CA 1.711 56.272 54.840 -0.465 0.000 0.758 313 L CB -1.822 39.901 42.059 -0.559 0.000 0.891 313 L HN 0.276 nan 8.230 nan 0.000 0.433 314 P HA -0.165 nan 4.420 nan 0.000 0.220 314 P C 1.506 178.732 177.300 -0.123 0.000 1.148 314 P CA 1.363 64.404 63.100 -0.098 0.000 0.803 314 P CB -0.066 31.609 31.700 -0.041 0.000 0.782 315 I N -5.790 114.678 120.570 -0.170 0.000 3.875 315 I HA 0.109 4.279 4.170 -0.000 0.000 0.329 315 I C 1.067 177.082 176.117 -0.171 0.000 1.295 315 I CA 0.153 61.341 61.300 -0.186 0.000 1.129 315 I CB -0.047 37.808 38.000 -0.241 0.000 1.008 315 I HN -0.252 nan 8.210 nan 0.000 0.413 316 V N 0.523 120.322 119.914 -0.193 0.000 2.484 316 V HA 0.009 4.129 4.120 -0.000 0.000 0.236 316 V C 2.173 178.163 176.094 -0.173 0.000 1.062 316 V CA 0.763 62.962 62.300 -0.168 0.000 1.081 316 V CB -0.177 31.430 31.823 -0.360 0.000 0.751 316 V HN 0.279 nan 8.190 nan 0.000 0.484 317 L N 0.581 121.706 121.223 -0.164 0.000 2.201 317 L HA 0.200 4.540 4.340 -0.000 0.000 0.212 317 L C 1.726 178.571 176.870 -0.041 0.000 1.105 317 L CA 1.864 56.654 54.840 -0.083 0.000 0.775 317 L CB -1.822 40.220 42.059 -0.028 0.000 0.913 317 L HN 0.575 nan 8.230 nan 0.000 0.440 318 G N -0.335 108.429 108.800 -0.060 0.000 2.556 318 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.283 318 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.283 318 G C 1.017 175.908 174.900 -0.015 0.000 1.177 318 G CA 0.978 46.052 45.100 -0.043 0.000 0.978 318 G HN 0.405 nan 8.290 nan 0.000 0.554 319 S N 0.561 116.257 115.700 -0.007 0.000 2.555 319 S HA 0.116 4.585 4.470 -0.000 0.000 0.230 319 S C 1.344 175.955 174.600 0.019 0.000 0.978 319 S CA 1.713 59.913 58.200 0.000 0.000 0.934 319 S CB 0.171 63.368 63.200 -0.005 0.000 0.766 319 S HN 0.599 nan 8.310 nan 0.000 0.533 320 E N 0.464 120.698 120.200 0.057 0.000 2.465 320 E HA 0.194 4.544 4.350 -0.000 0.000 0.191 320 E C 1.226 177.939 176.600 0.189 0.000 1.053 320 E CA -0.076 56.404 56.400 0.134 0.000 0.869 320 E CB -0.067 29.781 29.700 0.247 0.000 0.977 320 E HN 0.570 nan 8.360 nan 0.000 0.483 321 M N 1.044 120.703 119.600 0.099 0.000 2.077 321 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 321 M C 1.926 178.282 176.300 0.094 0.000 1.070 321 M CA 1.887 57.246 55.300 0.097 0.000 1.125 321 M CB 0.023 32.648 32.600 0.041 0.000 1.339 321 M HN -0.067 nan 8.290 nan 0.000 0.409 322 Q N -0.350 119.472 119.800 0.037 0.000 2.119 322 Q HA -0.200 4.139 4.340 -0.000 0.000 0.201 322 Q C 2.131 178.099 176.000 -0.053 0.000 0.972 322 Q CA 1.654 57.462 55.803 0.008 0.000 0.847 322 Q CB -0.539 28.192 28.738 -0.012 0.000 0.903 322 Q HN 0.610 nan 8.270 nan 0.000 0.433 323 K N 0.461 120.777 120.400 -0.140 0.000 2.063 323 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 323 K C 1.197 177.492 176.600 -0.507 0.000 1.048 323 K CA 1.620 57.675 56.287 -0.387 0.000 0.928 323 K CB -0.011 32.160 32.500 -0.547 0.000 0.713 323 K HN 0.280 nan 8.250 nan 0.000 0.442 324 W N -0.009 121.302 121.300 0.019 0.000 2.808 324 W HA 0.307 4.967 4.660 -0.000 0.000 0.266 324 W C 0.283 176.834 176.519 0.053 0.000 1.247 324 W CA -0.457 56.907 57.345 0.031 0.000 1.440 324 W CB 0.629 30.118 29.460 0.048 0.000 1.040 324 W HN -0.170 nan 8.180 nan 0.000 0.606 325 I N 2.959 123.680 120.570 0.252 0.000 2.697 325 I HA 0.194 4.364 4.170 -0.000 0.000 0.279 325 I C -2.001 174.204 176.117 0.147 0.000 1.171 325 I CA -1.858 59.572 61.300 0.217 0.000 1.135 325 I CB 0.221 38.373 38.000 0.253 0.000 1.445 325 I HN -0.427 nan 8.210 nan 0.000 0.541 326 P HA 0.230 nan 4.420 nan 0.000 0.271 326 P C -2.498 174.857 177.300 0.091 0.000 1.233 326 P CA -1.047 62.090 63.100 0.062 0.000 0.789 326 P CB -0.432 31.282 31.700 0.023 0.000 0.951 327 P HA 0.006 nan 4.420 nan 0.000 0.268 327 P C -0.394 176.974 177.300 0.114 0.000 1.208 327 P CA 0.165 63.332 63.100 0.111 0.000 0.777 327 P CB -0.049 31.700 31.700 0.082 0.000 0.875 328 Y N 2.265 122.564 120.300 -0.001 0.000 2.620 328 Y HA -0.036 4.514 4.550 -0.000 0.000 0.330 328 Y C 1.125 176.999 175.900 -0.044 0.000 1.186 328 Y CA 0.878 58.941 58.100 -0.062 0.000 1.467 328 Y CB 0.297 38.705 38.460 -0.086 0.000 1.262 328 Y HN 0.377 nan 8.280 nan 0.000 0.550 329 Q N 4.791 124.249 119.800 -0.570 0.000 2.112 329 Q HA 0.315 4.655 4.340 -0.000 0.000 0.222 329 Q C 0.314 175.926 176.000 -0.647 0.000 0.798 329 Q CA 0.306 55.829 55.803 -0.467 0.000 1.060 329 Q CB 0.794 29.387 28.738 -0.241 0.000 1.184 329 Q HN 1.044 nan 8.270 nan 0.000 0.475 330 G N 1.408 109.390 108.800 -1.363 0.000 2.663 330 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.686 330 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.686 330 G C -1.179 173.527 174.900 -0.324 0.000 1.288 330 G CA -0.959 43.675 45.100 -0.778 0.000 0.836 330 G HN 0.210 nan 8.290 nan 0.000 0.584 331 Y N 1.715 121.954 120.300 -0.102 0.000 2.620 331 Y HA 0.466 5.016 4.550 -0.000 0.000 0.330 331 Y C 0.521 176.399 175.900 -0.036 0.000 1.186 331 Y CA -0.311 57.795 58.100 0.010 0.000 1.467 331 Y CB 0.786 39.265 38.460 0.032 0.000 1.262 331 Y HN 0.608 nan 8.280 nan 0.000 0.550 332 N N 6.119 124.564 118.700 -0.426 0.000 2.626 332 N HA 0.046 4.786 4.740 -0.000 0.000 0.242 332 N C 0.429 175.532 175.510 -0.679 0.000 1.005 332 N CA -0.258 52.509 53.050 -0.471 0.000 0.905 332 N CB 0.151 38.515 38.487 -0.204 0.000 1.128 332 N HN 0.951 nan 8.380 nan 0.000 0.512 333 N N 1.063 119.247 118.700 -0.860 0.000 2.519 333 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 333 N C 0.235 175.636 175.510 -0.181 0.000 1.062 333 N CA 0.505 53.225 53.050 -0.551 0.000 0.910 333 N CB 0.197 38.493 38.487 -0.319 0.000 0.958 333 N HN 0.125 nan 8.380 nan 0.000 0.445 334 S N 0.277 115.883 115.700 -0.158 0.000 2.593 334 S HA 0.131 4.600 4.470 -0.000 0.000 0.217 334 S C 0.458 175.041 174.600 -0.028 0.000 0.966 334 S CA -0.328 57.832 58.200 -0.066 0.000 0.914 334 S CB 0.259 63.420 63.200 -0.064 0.000 0.776 334 S HN 0.131 nan 8.310 nan 0.000 0.523 335 V N 3.031 122.927 119.914 -0.030 0.000 2.432 335 V HA 0.179 4.299 4.120 -0.000 0.000 0.271 335 V C 0.050 176.190 176.094 0.078 0.000 1.046 335 V CA -0.906 61.407 62.300 0.022 0.000 0.945 335 V CB 1.162 33.000 31.823 0.024 0.000 0.992 335 V HN 0.154 nan 8.190 nan 0.000 0.471 336 D N 8.224 128.673 120.400 0.083 0.000 2.342 336 D HA 0.139 4.779 4.640 -0.000 0.000 0.260 336 D C -1.127 175.235 176.300 0.103 0.000 1.278 336 D CA -1.779 52.285 54.000 0.106 0.000 0.910 336 D CB 1.382 42.257 40.800 0.124 0.000 1.079 336 D HN 0.306 nan 8.370 nan 0.000 0.496 337 P HA -0.015 nan 4.420 nan 0.000 0.245 337 P C 0.066 177.279 177.300 -0.145 0.000 1.212 337 P CA 0.045 63.140 63.100 -0.008 0.000 0.774 337 P CB 0.348 32.056 31.700 0.014 0.000 0.999 338 R N 0.354 120.814 120.500 -0.066 0.000 2.590 338 R HA 0.247 4.587 4.340 -0.000 0.000 0.274 338 R C 0.374 176.610 176.300 -0.107 0.000 1.061 338 R CA -0.531 55.515 56.100 -0.090 0.000 1.081 338 R CB 0.109 30.402 30.300 -0.012 0.000 0.984 338 R HN 0.043 nan 8.270 nan 0.000 0.448 339 I N 2.214 122.687 120.570 -0.160 0.000 2.533 339 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 339 I C 0.864 176.850 176.117 -0.217 0.000 1.109 339 I CA 0.475 61.637 61.300 -0.230 0.000 1.412 339 I CB 0.954 38.852 38.000 -0.170 0.000 1.396 339 I HN 0.654 nan 8.210 nan 0.000 0.543 340 S N 4.689 120.142 115.700 -0.413 0.000 2.600 340 S HA 0.163 4.633 4.470 -0.000 0.000 0.265 340 S C 1.008 175.406 174.600 -0.338 0.000 1.325 340 S CA -0.621 57.211 58.200 -0.613 0.000 1.002 340 S CB 0.889 63.038 63.200 -1.751 0.000 0.921 340 S HN 0.675 nan 8.310 nan 0.000 0.554 341 N N 0.344 118.909 118.700 -0.227 0.000 2.080 341 N HA -0.119 4.621 4.740 -0.000 0.000 0.189 341 N C 1.847 177.378 175.510 0.035 0.000 1.036 341 N CA 1.401 54.459 53.050 0.014 0.000 0.846 341 N CB -0.893 37.677 38.487 0.137 0.000 1.015 341 N HN 0.533 nan 8.380 nan 0.000 0.423 342 V N 1.096 120.915 119.914 -0.158 0.000 2.527 342 V HA -0.238 3.882 4.120 -0.000 0.000 0.255 342 V C 2.072 178.067 176.094 -0.166 0.000 1.081 342 V CA 1.577 63.716 62.300 -0.268 0.000 1.092 342 V CB -0.739 30.519 31.823 -0.941 0.000 0.673 342 V HN 0.262 nan 8.190 nan 0.000 0.470 343 F N 1.960 121.683 119.950 -0.379 0.000 2.095 343 F HA -0.193 4.334 4.527 -0.001 0.000 0.298 343 F C 2.727 178.476 175.800 -0.086 0.000 1.104 343 F CA 2.395 60.243 58.000 -0.254 0.000 1.232 343 F CB -0.891 37.912 39.000 -0.328 0.000 0.987 343 F HN 0.379 nan 8.300 nan 0.000 0.475 344 T N -2.170 112.365 114.554 -0.030 0.000 3.118 344 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 344 T C 1.377 175.772 174.700 -0.509 0.000 1.166 344 T CA 1.469 63.422 62.100 -0.246 0.000 1.073 344 T CB -0.970 67.720 68.868 -0.297 0.000 0.884 344 T HN 0.297 nan 8.240 nan 0.000 0.550 345 F N 0.053 119.916 119.950 -0.146 0.000 2.667 345 F HA 0.606 5.133 4.527 -0.001 0.000 0.288 345 F C 2.592 178.412 175.800 0.033 0.000 1.086 345 F CA -0.163 57.805 58.000 -0.053 0.000 1.297 345 F CB -0.476 38.507 39.000 -0.029 0.000 1.059 345 F HN 0.185 nan 8.300 nan 0.000 0.624 346 A N 0.025 122.890 122.820 0.075 0.000 1.930 346 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 346 A C 1.873 179.541 177.584 0.139 0.000 1.175 346 A CA 1.212 53.273 52.037 0.039 0.000 0.627 346 A CB -1.023 17.919 19.000 -0.095 0.000 0.815 346 A HN 0.337 nan 8.150 nan 0.000 0.443 347 F N 0.967 120.712 119.950 -0.343 0.000 2.748 347 F HA 0.082 4.609 4.527 -0.000 0.000 0.299 347 F C 1.828 177.376 175.800 -0.419 0.000 1.154 347 F CA 0.115 57.897 58.000 -0.364 0.000 1.446 347 F CB -0.347 38.192 39.000 -0.769 0.000 1.112 347 F HN 0.215 nan 8.300 nan 0.000 0.584 348 R N -0.169 120.245 120.500 -0.142 0.000 2.323 348 R HA -0.110 4.230 4.340 -0.000 0.000 0.198 348 R C 1.958 178.167 176.300 -0.151 0.000 0.988 348 R CA 0.612 56.497 56.100 -0.360 0.000 1.041 348 R CB -0.910 29.275 30.300 -0.192 0.000 0.926 348 R HN 0.408 nan 8.270 nan 0.000 0.476 349 F N -0.268 119.703 119.950 0.034 0.000 2.236 349 F HA -0.056 4.471 4.527 -0.000 0.000 0.302 349 F C 1.915 177.731 175.800 0.026 0.000 1.073 349 F CA 1.000 59.018 58.000 0.030 0.000 1.336 349 F CB -1.004 38.015 39.000 0.032 0.000 1.040 349 F HN -0.112 nan 8.300 nan 0.000 0.507 350 G N -0.070 108.241 108.800 -0.815 0.000 2.442 350 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 350 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 350 G C 1.282 176.124 174.900 -0.097 0.000 1.141 350 G CA 1.075 45.826 45.100 -0.581 0.000 0.763 350 G HN 0.636 nan 8.290 nan 0.000 0.554 351 H N -0.240 118.816 119.070 -0.024 0.000 2.460 351 H HA 0.001 4.557 4.556 -0.000 0.000 0.297 351 H C 2.209 177.640 175.328 0.171 0.000 1.103 351 H CA 0.876 56.989 56.048 0.108 0.000 1.292 351 H CB -0.032 29.871 29.762 0.235 0.000 1.376 351 H HN 0.334 nan 8.280 nan 0.000 0.531 352 M N 0.189 119.963 119.600 0.290 0.000 2.563 352 M HA -0.007 4.473 4.480 -0.000 0.000 0.231 352 M C 0.637 177.063 176.300 0.210 0.000 1.136 352 M CA 0.829 56.274 55.300 0.241 0.000 1.026 352 M CB 0.364 33.072 32.600 0.180 0.000 1.597 352 M HN 0.307 nan 8.290 nan 0.000 0.495 353 E N -0.016 120.298 120.200 0.190 0.000 2.511 353 E HA 0.119 4.469 4.350 -0.000 0.000 0.209 353 E C -0.150 176.550 176.600 0.167 0.000 0.986 353 E CA -0.121 56.388 56.400 0.182 0.000 0.974 353 E CB 1.065 30.859 29.700 0.158 0.000 1.030 353 E HN 0.145 nan 8.360 nan 0.000 0.490 354 V N 4.720 124.736 119.914 0.169 0.000 2.432 354 V HA 0.160 4.280 4.120 -0.000 0.000 0.271 354 V C -1.988 174.211 176.094 0.174 0.000 1.046 354 V CA -1.463 60.931 62.300 0.157 0.000 0.945 354 V CB 0.480 32.398 31.823 0.160 0.000 0.992 354 V HN 0.050 nan 8.190 nan 0.000 0.471 355 P HA 0.209 nan 4.420 nan 0.000 0.279 355 P C 0.759 178.138 177.300 0.132 0.000 1.252 355 P CA -0.458 62.734 63.100 0.153 0.000 0.811 355 P CB 1.314 33.095 31.700 0.135 0.000 1.035 356 S N -0.083 115.695 115.700 0.130 0.000 2.447 356 S HA -0.026 4.444 4.470 -0.000 0.000 0.233 356 S C 0.953 175.593 174.600 0.066 0.000 1.006 356 S CA 1.024 59.285 58.200 0.103 0.000 0.957 356 S CB -1.150 62.109 63.200 0.099 0.000 0.773 356 S HN 0.777 nan 8.310 nan 0.000 0.507 357 T N -1.305 113.285 114.554 0.059 0.000 2.906 357 T HA 0.719 5.069 4.350 -0.000 0.000 0.295 357 T C -0.992 173.723 174.700 0.024 0.000 1.061 357 T CA -0.839 61.278 62.100 0.028 0.000 1.000 357 T CB 1.951 70.841 68.868 0.036 0.000 1.103 357 T HN 0.002 nan 8.240 nan 0.000 0.486 358 V N 2.141 122.053 119.914 -0.005 0.000 2.540 358 V HA 0.673 4.793 4.120 -0.000 0.000 0.302 358 V C -0.047 176.048 176.094 0.001 0.000 1.035 358 V CA -0.682 61.616 62.300 -0.003 0.000 0.873 358 V CB 1.911 33.712 31.823 -0.035 0.000 0.992 358 V HN 1.132 nan 8.190 nan 0.000 0.428 359 S N 3.617 119.330 115.700 0.020 0.000 2.578 359 S HA 0.759 5.228 4.470 -0.000 0.000 0.301 359 S C -0.505 174.104 174.600 0.015 0.000 1.091 359 S CA -0.861 57.357 58.200 0.030 0.000 1.032 359 S CB 1.720 64.950 63.200 0.049 0.000 1.064 359 S HN 0.671 nan 8.310 nan 0.000 0.508 360 R N 1.304 121.827 120.500 0.039 0.000 2.393 360 R HA 0.600 4.940 4.340 -0.000 0.000 0.315 360 R C -1.149 175.190 176.300 0.066 0.000 0.952 360 R CA -0.204 55.902 56.100 0.010 0.000 0.842 360 R CB 0.789 31.118 30.300 0.049 0.000 1.163 360 R HN 0.465 nan 8.270 nan 0.000 0.450 361 L N 2.815 124.008 121.223 -0.051 0.000 2.334 361 L HA 0.465 4.805 4.340 -0.000 0.000 0.276 361 L C 0.150 176.925 176.870 -0.158 0.000 1.014 361 L CA -1.100 53.698 54.840 -0.071 0.000 0.815 361 L CB 1.567 43.531 42.059 -0.158 0.000 1.268 361 L HN 0.689 nan 8.230 nan 0.000 0.428 362 D N 0.853 121.240 120.400 -0.021 0.000 2.425 362 D HA 0.011 4.651 4.640 -0.000 0.000 0.274 362 D C 0.691 176.859 176.300 -0.219 0.000 1.242 362 D CA -0.290 53.716 54.000 0.010 0.000 1.060 362 D CB 0.550 41.500 40.800 0.249 0.000 1.112 362 D HN 0.475 nan 8.370 nan 0.000 0.561 363 E N -1.248 118.870 120.200 -0.136 0.000 2.204 363 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 363 E C 0.735 177.222 176.600 -0.188 0.000 0.990 363 E CA 1.103 57.398 56.400 -0.175 0.000 0.821 363 E CB -0.333 29.323 29.700 -0.075 0.000 0.750 363 E HN 0.440 nan 8.360 nan 0.000 0.477 364 N N -0.617 117.988 118.700 -0.158 0.000 2.279 364 N HA 0.091 4.830 4.740 -0.000 0.000 0.226 364 N C -0.948 174.358 175.510 -0.340 0.000 1.126 364 N CA -0.153 52.806 53.050 -0.152 0.000 0.846 364 N CB 0.240 38.716 38.487 -0.019 0.000 1.050 364 N HN 0.087 nan 8.380 nan 0.000 0.502 365 Y N 0.031 120.007 120.300 -0.540 0.000 3.305 365 Y HA -0.279 4.271 4.550 -0.000 0.000 0.212 365 Y C -0.088 175.641 175.900 -0.286 0.000 1.248 365 Y CA 0.351 58.129 58.100 -0.538 0.000 1.359 365 Y CB -1.535 36.301 38.460 -1.039 0.000 1.407 365 Y HN 0.280 nan 8.280 nan 0.000 0.572 366 Q N -0.215 119.535 119.800 -0.083 0.000 2.348 366 Q HA 0.472 4.812 4.340 -0.000 0.000 0.271 366 Q C -2.328 173.687 176.000 0.025 0.000 1.067 366 Q CA -2.451 53.347 55.803 -0.009 0.000 0.839 366 Q CB 1.420 30.158 28.738 -0.000 0.000 1.354 366 Q HN -0.101 nan 8.270 nan 0.000 0.447 367 P HA -0.102 nan 4.420 nan 0.000 0.260 367 P C -0.740 176.623 177.300 0.106 0.000 1.172 367 P CA 0.345 63.487 63.100 0.071 0.000 0.760 367 P CB 0.193 31.920 31.700 0.045 0.000 0.773 368 W N 6.179 127.451 121.300 -0.047 0.000 2.247 368 W HA 0.461 5.120 4.660 -0.000 0.000 0.394 368 W C 0.665 177.168 176.519 -0.026 0.000 0.939 368 W CA 1.209 58.527 57.345 -0.045 0.000 1.548 368 W CB -0.388 29.038 29.460 -0.057 0.000 1.610 368 W HN 0.790 nan 8.180 nan 0.000 0.336 369 G N 5.235 113.848 108.800 -0.312 0.000 2.660 369 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.247 369 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.247 369 G C -1.502 173.309 174.900 -0.148 0.000 1.328 369 G CA -0.362 44.528 45.100 -0.351 0.000 0.884 369 G HN 0.298 nan 8.290 nan 0.000 0.531 370 P HA 0.142 nan 4.420 nan 0.000 0.227 370 P C 0.504 177.788 177.300 -0.027 0.000 1.161 370 P CA 1.273 64.335 63.100 -0.063 0.000 0.788 370 P CB 0.228 31.890 31.700 -0.063 0.000 0.822 371 E N -0.411 119.779 120.200 -0.018 0.000 3.646 371 E HA 0.403 4.753 4.350 -0.000 0.000 0.211 371 E C 0.917 177.547 176.600 0.050 0.000 1.034 371 E CA -0.336 56.074 56.400 0.017 0.000 1.341 371 E CB 0.643 30.359 29.700 0.027 0.000 1.202 371 E HN 0.053 nan 8.360 nan 0.000 0.447 372 A N 1.318 124.173 122.820 0.058 0.000 1.898 372 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 372 A C 1.213 178.840 177.584 0.071 0.000 1.181 372 A CA 0.981 53.083 52.037 0.108 0.000 0.620 372 A CB 0.030 19.094 19.000 0.106 0.000 0.819 372 A HN 0.325 nan 8.150 nan 0.000 0.442 373 E N -0.089 120.137 120.200 0.043 0.000 2.174 373 E HA 0.561 4.910 4.350 -0.000 0.000 0.282 373 E C -1.340 175.263 176.600 0.005 0.000 0.992 373 E CA -0.378 56.039 56.400 0.028 0.000 0.803 373 E CB 0.540 30.260 29.700 0.033 0.000 1.090 373 E HN 0.398 nan 8.360 nan 0.000 0.396 374 L N 5.490 126.702 121.223 -0.019 0.000 2.341 374 L HA 0.518 4.858 4.340 -0.000 0.000 0.267 374 L C -2.298 174.526 176.870 -0.078 0.000 1.009 374 L CA -2.656 52.149 54.840 -0.058 0.000 0.819 374 L CB 2.033 44.036 42.059 -0.094 0.000 1.323 374 L HN 0.494 nan 8.230 nan 0.000 0.425 375 P HA 0.031 nan 4.420 nan 0.000 0.271 375 P C 0.787 177.952 177.300 -0.225 0.000 1.220 375 P CA -0.186 62.837 63.100 -0.129 0.000 0.768 375 P CB 0.755 32.352 31.700 -0.172 0.000 0.848 376 L N 4.195 125.337 121.223 -0.136 0.000 2.089 376 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 376 L C 2.227 178.766 176.870 -0.551 0.000 1.079 376 L CA 2.065 56.765 54.840 -0.232 0.000 0.758 376 L CB -0.661 41.355 42.059 -0.071 0.000 0.891 376 L HN 0.659 nan 8.230 nan 0.000 0.433 377 H N -1.606 117.235 119.070 -0.382 0.000 2.491 377 H HA -0.119 4.437 4.556 -0.000 0.000 0.290 377 H C 1.759 176.934 175.328 -0.256 0.000 1.050 377 H CA 1.497 57.294 56.048 -0.418 0.000 1.309 377 H CB -0.622 29.200 29.762 0.100 0.000 1.392 377 H HN 0.450 nan 8.280 nan 0.000 0.554 378 T N -1.124 113.048 114.554 -0.637 0.000 3.148 378 T HA 0.151 4.501 4.350 -0.000 0.000 0.253 378 T C 1.662 176.230 174.700 -0.221 0.000 1.134 378 T CA 0.020 61.905 62.100 -0.358 0.000 1.051 378 T CB -0.328 68.319 68.868 -0.369 0.000 0.959 378 T HN 0.346 nan 8.240 nan 0.000 0.525 379 L N -0.625 120.390 121.223 -0.347 0.000 2.731 379 L HA 0.467 4.806 4.340 -0.000 0.000 0.240 379 L C -0.221 176.567 176.870 -0.136 0.000 1.120 379 L CA -0.649 54.038 54.840 -0.254 0.000 0.913 379 L CB 0.085 41.987 42.059 -0.260 0.000 1.213 379 L HN 0.135 nan 8.230 nan 0.000 0.515 380 F N 0.508 120.485 119.950 0.044 0.000 2.578 380 F HA 0.077 4.603 4.527 -0.000 0.000 0.376 380 F C 0.840 176.684 175.800 0.074 0.000 1.085 380 F CA -0.507 57.507 58.000 0.023 0.000 1.260 380 F CB -0.602 38.517 39.000 0.198 0.000 1.095 380 F HN -0.047 nan 8.300 nan 0.000 0.573 381 F N 0.031 120.115 119.950 0.223 0.000 3.100 381 F HA -0.334 4.193 4.527 -0.000 0.000 0.284 381 F C 0.652 176.478 175.800 0.043 0.000 0.875 381 F CA 0.387 58.456 58.000 0.115 0.000 1.039 381 F CB -1.494 37.597 39.000 0.152 0.000 1.111 381 F HN 0.499 nan 8.300 nan 0.000 0.575 382 N N 0.753 119.501 118.700 0.080 0.000 2.426 382 N HA 0.289 5.029 4.740 -0.000 0.000 0.257 382 N C 0.896 176.357 175.510 -0.083 0.000 1.002 382 N CA 0.728 53.772 53.050 -0.011 0.000 0.942 382 N CB 1.165 39.568 38.487 -0.140 0.000 1.112 382 N HN 0.253 nan 8.380 nan 0.000 0.499 383 T N -0.201 114.314 114.554 -0.066 0.000 2.955 383 T HA 0.034 4.384 4.350 -0.000 0.000 0.251 383 T C 1.784 176.439 174.700 -0.076 0.000 1.002 383 T CA -0.483 61.539 62.100 -0.130 0.000 0.970 383 T CB -0.300 68.363 68.868 -0.342 0.000 1.091 383 T HN 0.653 nan 8.240 nan 0.000 0.495 384 W N 2.642 123.895 121.300 -0.080 0.000 2.363 384 W HA 0.029 4.689 4.660 -0.000 0.000 0.296 384 W C 1.322 177.833 176.519 -0.013 0.000 1.212 384 W CA 0.216 57.527 57.345 -0.057 0.000 1.260 384 W CB -0.784 28.642 29.460 -0.057 0.000 1.131 384 W HN 0.027 nan 8.180 nan 0.000 0.530 385 R N 1.118 121.094 120.500 -0.873 0.000 2.303 385 R HA -0.055 4.284 4.340 -0.000 0.000 0.225 385 R C 1.904 178.034 176.300 -0.284 0.000 1.114 385 R CA 1.143 56.766 56.100 -0.795 0.000 1.007 385 R CB -0.586 29.198 30.300 -0.859 0.000 0.861 385 R HN 0.471 nan 8.270 nan 0.000 0.471 386 I N -1.034 119.444 120.570 -0.153 0.000 2.900 386 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 386 I C 1.754 177.891 176.117 0.034 0.000 1.102 386 I CA 0.330 61.614 61.300 -0.027 0.000 1.457 386 I CB -0.108 37.914 38.000 0.037 0.000 1.285 386 I HN -0.094 nan 8.210 nan 0.000 0.459 387 I N 0.988 121.551 120.570 -0.011 0.000 2.233 387 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 387 I C 1.693 177.893 176.117 0.138 0.000 1.093 387 I CA 1.409 62.715 61.300 0.010 0.000 1.380 387 I CB -0.158 37.833 38.000 -0.016 0.000 1.067 387 I HN 0.059 nan 8.210 nan 0.000 0.413 388 K N -0.174 120.335 120.400 0.182 0.000 2.397 388 K HA 0.168 4.488 4.320 -0.000 0.000 0.202 388 K C -0.156 176.603 176.600 0.266 0.000 1.022 388 K CA 0.377 56.806 56.287 0.238 0.000 1.141 388 K CB 0.197 32.876 32.500 0.298 0.000 0.857 388 K HN 0.135 nan 8.250 nan 0.000 0.514 389 D N -0.506 120.013 120.400 0.199 0.000 3.078 389 D HA 0.231 4.871 4.640 -0.000 0.000 0.363 389 D C 0.651 177.064 176.300 0.188 0.000 1.391 389 D CA 0.422 54.569 54.000 0.245 0.000 0.754 389 D CB 0.214 41.122 40.800 0.181 0.000 1.238 389 D HN 0.215 nan 8.370 nan 0.000 0.500 390 G N -0.662 108.212 108.800 0.124 0.000 2.617 390 G HA2 0.264 4.224 3.960 -0.000 0.000 0.197 390 G HA3 0.264 4.224 3.960 -0.000 0.000 0.197 390 G C 1.000 175.844 174.900 -0.093 0.000 1.017 390 G CA 0.337 45.336 45.100 -0.168 0.000 0.713 390 G HN 1.246 nan 8.290 nan 0.000 0.481 391 G N -0.120 108.693 108.800 0.022 0.000 2.512 391 G HA2 0.139 4.099 3.960 -0.000 0.000 0.210 391 G HA3 0.139 4.099 3.960 -0.000 0.000 0.210 391 G C 0.854 175.773 174.900 0.031 0.000 1.295 391 G CA 0.747 45.916 45.100 0.116 0.000 0.934 391 G HN 1.727 nan 8.290 nan 0.000 0.554 392 I N -2.925 117.660 120.570 0.025 0.000 4.070 392 I HA 0.398 4.568 4.170 -0.000 0.000 0.328 392 I C 1.468 177.536 176.117 -0.083 0.000 1.298 392 I CA 1.170 62.460 61.300 -0.017 0.000 1.173 392 I CB 0.300 38.309 38.000 0.016 0.000 1.051 392 I HN 0.274 nan 8.210 nan 0.000 0.409 393 D N 3.111 123.446 120.400 -0.107 0.000 2.106 393 D HA -0.107 4.533 4.640 -0.000 0.000 0.191 393 D C -0.492 175.675 176.300 -0.222 0.000 0.997 393 D CA 1.925 55.836 54.000 -0.148 0.000 0.834 393 D CB -1.531 39.182 40.800 -0.145 0.000 0.956 393 D HN 0.318 nan 8.370 nan 0.000 0.448 394 P HA -0.076 nan 4.420 nan 0.000 0.219 394 P C 1.381 178.536 177.300 -0.241 0.000 1.146 394 P CA 0.881 63.734 63.100 -0.411 0.000 0.808 394 P CB 0.046 31.299 31.700 -0.744 0.000 0.779 395 L N -1.870 119.249 121.223 -0.173 0.000 2.162 395 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 395 L C 2.249 179.102 176.870 -0.028 0.000 1.086 395 L CA 0.774 55.564 54.840 -0.084 0.000 0.778 395 L CB -0.831 41.190 42.059 -0.063 0.000 0.928 395 L HN -0.185 nan 8.230 nan 0.000 0.446 396 V N 0.032 119.926 119.914 -0.033 0.000 2.515 396 V HA -0.229 3.890 4.120 -0.000 0.000 0.250 396 V C 2.540 178.675 176.094 0.069 0.000 1.058 396 V CA 1.626 63.944 62.300 0.030 0.000 1.064 396 V CB -0.604 31.224 31.823 0.008 0.000 0.675 396 V HN 0.405 nan 8.190 nan 0.000 0.461 397 R N -0.072 120.422 120.500 -0.010 0.000 2.093 397 R HA 0.025 4.364 4.340 -0.000 0.000 0.224 397 R C 2.500 178.895 176.300 0.158 0.000 1.101 397 R CA 1.068 57.193 56.100 0.042 0.000 0.979 397 R CB -0.719 29.322 30.300 -0.432 0.000 0.877 397 R HN 0.558 nan 8.270 nan 0.000 0.441 398 G N 1.725 110.560 108.800 0.059 0.000 2.514 398 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.217 398 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.217 398 G C 1.410 176.394 174.900 0.140 0.000 1.198 398 G CA 0.698 45.853 45.100 0.092 0.000 0.780 398 G HN 0.128 nan 8.290 nan 0.000 0.565 399 L N -0.148 121.149 121.223 0.124 0.000 2.064 399 L HA -0.164 4.176 4.340 -0.000 0.000 0.216 399 L C 2.941 179.914 176.870 0.172 0.000 1.077 399 L CA 0.992 55.915 54.840 0.139 0.000 0.766 399 L CB -0.287 41.852 42.059 0.134 0.000 0.890 399 L HN 0.229 nan 8.230 nan 0.000 0.435 400 L N -1.515 119.845 121.223 0.229 0.000 2.179 400 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 400 L C 2.429 179.493 176.870 0.323 0.000 1.096 400 L CA 0.900 55.899 54.840 0.266 0.000 0.779 400 L CB -0.399 41.878 42.059 0.363 0.000 0.922 400 L HN 0.206 nan 8.230 nan 0.000 0.443 401 A N -1.549 121.489 122.820 0.362 0.000 2.252 401 A HA 0.135 4.454 4.320 -0.000 0.000 0.213 401 A C 0.908 178.624 177.584 0.220 0.000 1.188 401 A CA 0.137 52.371 52.037 0.328 0.000 0.863 401 A CB 0.219 19.420 19.000 0.335 0.000 0.893 401 A HN -0.011 nan 8.150 nan 0.000 0.495 402 K N 0.854 121.367 120.400 0.187 0.000 2.168 402 K HA 0.403 4.723 4.320 -0.000 0.000 0.239 402 K C -0.950 175.740 176.600 0.149 0.000 0.999 402 K CA -0.712 55.665 56.287 0.150 0.000 0.900 402 K CB 0.565 33.142 32.500 0.128 0.000 1.111 402 K HN 0.161 nan 8.250 nan 0.000 0.452 403 N N -0.112 118.671 118.700 0.138 0.000 2.472 403 N HA 0.261 5.000 4.740 -0.000 0.000 0.289 403 N C -0.244 175.362 175.510 0.160 0.000 1.156 403 N CA -0.313 52.823 53.050 0.144 0.000 0.940 403 N CB 1.191 39.751 38.487 0.123 0.000 1.200 403 N HN 0.328 nan 8.380 nan 0.000 0.511 404 S N 0.119 115.936 115.700 0.195 0.000 2.641 404 S HA 0.163 4.633 4.470 -0.000 0.000 0.261 404 S C 0.397 175.108 174.600 0.186 0.000 1.257 404 S CA -0.489 57.841 58.200 0.217 0.000 0.983 404 S CB 0.783 64.179 63.200 0.328 0.000 0.990 404 S HN 0.427 nan 8.310 nan 0.000 0.572 405 K N 0.974 121.486 120.400 0.188 0.000 2.183 405 K HA 0.369 4.689 4.320 -0.000 0.000 0.274 405 K C -1.036 175.663 176.600 0.165 0.000 1.009 405 K CA -0.569 55.818 56.287 0.166 0.000 0.888 405 K CB 0.522 33.128 32.500 0.177 0.000 1.078 405 K HN 0.417 nan 8.250 nan 0.000 0.459 406 L N 5.337 126.632 121.223 0.121 0.000 2.319 406 L HA 0.193 4.533 4.340 -0.000 0.000 0.280 406 L C 0.075 176.990 176.870 0.074 0.000 1.099 406 L CA -0.139 54.762 54.840 0.102 0.000 0.828 406 L CB 0.924 43.021 42.059 0.063 0.000 1.150 406 L HN 0.742 nan 8.230 nan 0.000 0.442 407 M N 5.487 125.143 119.600 0.093 0.000 2.260 407 M HA 0.028 4.508 4.480 -0.000 0.000 0.348 407 M C -0.696 175.608 176.300 0.007 0.000 1.342 407 M CA 0.931 56.268 55.300 0.060 0.000 1.040 407 M CB -0.403 32.243 32.600 0.077 0.000 1.810 407 M HN 0.725 nan 8.290 nan 0.000 0.453 408 N N 3.431 122.113 118.700 -0.030 0.000 2.336 408 N HA 0.194 4.934 4.740 -0.000 0.000 0.290 408 N C -0.070 175.399 175.510 -0.067 0.000 1.058 408 N CA -0.296 52.717 53.050 -0.063 0.000 0.865 408 N CB 1.547 39.962 38.487 -0.121 0.000 1.581 408 N HN 0.645 nan 8.380 nan 0.000 0.480 409 Q N 0.643 120.412 119.800 -0.052 0.000 2.226 409 Q HA 0.046 4.386 4.340 -0.000 0.000 0.204 409 Q C 0.551 176.526 176.000 -0.041 0.000 0.975 409 Q CA 1.170 56.947 55.803 -0.044 0.000 0.866 409 Q CB 0.246 28.962 28.738 -0.035 0.000 0.915 409 Q HN 0.483 nan 8.270 nan 0.000 0.440 410 N N 0.061 118.726 118.700 -0.059 0.000 2.280 410 N HA 0.051 4.790 4.740 -0.000 0.000 0.192 410 N C -0.456 174.996 175.510 -0.098 0.000 1.109 410 N CA 0.436 53.458 53.050 -0.048 0.000 0.855 410 N CB 0.676 39.141 38.487 -0.037 0.000 0.974 410 N HN 0.052 nan 8.380 nan 0.000 0.482 411 K N 0.458 120.724 120.400 -0.223 0.000 2.950 411 K HA 0.344 4.664 4.320 -0.000 0.000 0.199 411 K C 0.463 176.850 176.600 -0.354 0.000 1.144 411 K CA -0.047 55.849 56.287 -0.651 0.000 0.983 411 K CB 1.149 32.950 32.500 -1.165 0.000 1.187 411 K HN -0.103 nan 8.250 nan 0.000 0.595 412 M N -0.060 119.574 119.600 0.056 0.000 2.094 412 M HA 0.060 4.540 4.480 -0.000 0.000 0.256 412 M C 0.591 177.077 176.300 0.310 0.000 1.096 412 M CA 1.090 56.474 55.300 0.140 0.000 1.133 412 M CB 0.299 32.959 32.600 0.100 0.000 1.284 412 M HN 0.009 nan 8.290 nan 0.000 0.424 413 V N 0.650 120.810 119.914 0.410 0.000 2.448 413 V HA 0.188 4.307 4.120 -0.000 0.000 0.295 413 V C 0.109 176.384 176.094 0.302 0.000 1.025 413 V CA -0.788 61.735 62.300 0.373 0.000 0.859 413 V CB 1.434 33.456 31.823 0.332 0.000 0.988 413 V HN 0.346 nan 8.190 nan 0.000 0.431 414 T N 3.046 117.748 114.554 0.246 0.000 2.932 414 T HA 0.015 4.365 4.350 -0.000 0.000 0.312 414 T C 1.444 176.126 174.700 -0.029 0.000 1.071 414 T CA 0.433 62.531 62.100 -0.005 0.000 1.128 414 T CB 0.733 69.666 68.868 0.110 0.000 0.984 414 T HN 0.828 nan 8.240 nan 0.000 0.549 415 S N 3.360 118.971 115.700 -0.148 0.000 2.440 415 S HA -0.090 4.379 4.470 -0.000 0.000 0.238 415 S C 1.874 176.503 174.600 0.049 0.000 1.010 415 S CA 0.701 58.865 58.200 -0.060 0.000 0.972 415 S CB -0.159 62.978 63.200 -0.105 0.000 0.774 415 S HN 0.727 nan 8.310 nan 0.000 0.501 416 E N 1.103 121.363 120.200 0.100 0.000 2.204 416 E HA -0.011 4.338 4.350 -0.000 0.000 0.195 416 E C 1.782 178.584 176.600 0.337 0.000 0.990 416 E CA 0.718 57.250 56.400 0.220 0.000 0.821 416 E CB -0.195 29.632 29.700 0.212 0.000 0.750 416 E HN 0.496 nan 8.360 nan 0.000 0.477 417 L N -0.642 120.725 121.223 0.241 0.000 2.470 417 L HA 0.148 4.488 4.340 -0.000 0.000 0.219 417 L C 2.525 179.472 176.870 0.128 0.000 1.071 417 L CA 0.110 55.067 54.840 0.196 0.000 0.850 417 L CB 0.070 42.212 42.059 0.138 0.000 1.040 417 L HN -0.043 nan 8.230 nan 0.000 0.475 418 R N -0.145 120.427 120.500 0.119 0.000 2.161 418 R HA 0.005 4.344 4.340 -0.000 0.000 0.213 418 R C 1.339 177.698 176.300 0.098 0.000 1.055 418 R CA 0.889 57.053 56.100 0.107 0.000 0.996 418 R CB 0.353 30.710 30.300 0.096 0.000 0.901 418 R HN 0.326 nan 8.270 nan 0.000 0.456 419 N N -0.659 118.094 118.700 0.088 0.000 2.297 419 N HA 0.052 4.792 4.740 -0.000 0.000 0.208 419 N C -0.052 175.513 175.510 0.091 0.000 1.176 419 N CA 0.420 53.507 53.050 0.062 0.000 0.882 419 N CB 0.880 39.372 38.487 0.008 0.000 1.134 419 N HN 0.025 nan 8.380 nan 0.000 0.489 420 K N 0.782 121.273 120.400 0.152 0.000 2.618 420 K HA 0.252 4.571 4.320 -0.000 0.000 0.207 420 K C -0.448 176.431 176.600 0.465 0.000 1.058 420 K CA -0.328 56.094 56.287 0.225 0.000 1.086 420 K CB 0.944 33.463 32.500 0.032 0.000 0.827 420 K HN -0.078 nan 8.250 nan 0.000 0.481 421 L N 1.339 122.780 121.223 0.363 0.000 2.380 421 L HA 0.292 4.632 4.340 -0.000 0.000 0.273 421 L C -0.567 176.485 176.870 0.303 0.000 1.138 421 L CA -0.179 54.801 54.840 0.234 0.000 0.832 421 L CB 0.201 42.267 42.059 0.012 0.000 1.124 421 L HN 0.045 nan 8.230 nan 0.000 0.454 422 F N 4.663 124.632 119.950 0.031 0.000 2.404 422 F HA 0.468 4.994 4.527 -0.000 0.000 0.339 422 F C -0.242 175.551 175.800 -0.012 0.000 1.105 422 F CA -0.224 57.781 58.000 0.008 0.000 1.087 422 F CB 0.881 39.791 39.000 -0.150 0.000 1.143 422 F HN 0.468 nan 8.300 nan 0.000 0.491 423 Q N 7.013 126.390 119.800 -0.706 0.000 2.337 423 Q HA 0.262 4.602 4.340 -0.000 0.000 0.266 423 Q C -2.062 173.399 176.000 -0.899 0.000 1.023 423 Q CA -1.827 53.602 55.803 -0.623 0.000 0.829 423 Q CB 2.057 30.360 28.738 -0.726 0.000 1.306 423 Q HN 0.418 nan 8.270 nan 0.000 0.449 424 P HA -0.160 nan 4.420 nan 0.000 0.216 424 P C 1.028 177.958 177.300 -0.616 0.000 1.153 424 P CA 1.605 64.255 63.100 -0.750 0.000 0.858 424 P CB 0.293 31.614 31.700 -0.632 0.000 0.789 425 T N -1.651 112.540 114.554 -0.606 0.000 2.821 425 T HA -0.077 4.272 4.350 -0.000 0.000 0.267 425 T C 0.959 175.220 174.700 -0.731 0.000 1.046 425 T CA 1.192 62.889 62.100 -0.672 0.000 1.139 425 T CB -0.638 67.744 68.868 -0.809 0.000 0.871 425 T HN 0.220 nan 8.240 nan 0.000 0.454 426 H N 0.429 119.270 119.070 -0.382 0.000 2.530 426 H HA 0.429 4.985 4.556 -0.001 0.000 0.342 426 H C 0.898 175.963 175.328 -0.438 0.000 1.312 426 H CA -0.371 55.520 56.048 -0.263 0.000 1.376 426 H CB 1.167 30.945 29.762 0.027 0.000 1.692 426 H HN 0.085 nan 8.280 nan 0.000 0.622 427 K N 0.253 120.630 120.400 -0.039 0.000 2.348 427 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 427 K C 0.618 177.503 176.600 0.475 0.000 1.052 427 K CA 0.113 56.437 56.287 0.062 0.000 1.004 427 K CB 0.825 33.448 32.500 0.206 0.000 0.873 427 K HN 0.254 nan 8.250 nan 0.000 0.523 428 V N 1.112 121.226 119.914 0.332 0.000 2.539 428 V HA 0.229 4.349 4.120 -0.000 0.000 0.292 428 V C -0.777 175.618 176.094 0.502 0.000 1.045 428 V CA -0.614 61.931 62.300 0.409 0.000 0.945 428 V CB 1.061 32.994 31.823 0.184 0.000 0.993 428 V HN 0.209 nan 8.190 nan 0.000 0.464 429 H N 4.803 124.146 119.070 0.454 0.000 2.799 429 H HA 0.569 5.125 4.556 -0.000 0.000 0.225 429 H C 0.919 176.392 175.328 0.241 0.000 1.904 429 H CA 0.409 56.737 56.048 0.467 0.000 1.344 429 H CB 0.365 30.392 29.762 0.442 0.000 1.744 429 H HN 0.952 nan 8.280 nan 0.000 0.542 430 G N 0.808 109.747 108.800 0.232 0.000 4.765 430 G HA2 0.089 4.049 3.960 -0.000 0.000 0.276 430 G HA3 0.089 4.049 3.960 -0.000 0.000 0.276 430 G C -0.362 174.494 174.900 -0.072 0.000 0.986 430 G CA -0.241 44.886 45.100 0.045 0.000 0.755 430 G HN 0.200 nan 8.290 nan 0.000 0.391 431 F N 0.616 120.617 119.950 0.085 0.000 2.362 431 F HA 0.550 5.077 4.527 -0.001 0.000 0.311 431 F C 0.230 176.065 175.800 0.058 0.000 1.161 431 F CA -0.496 57.535 58.000 0.051 0.000 1.085 431 F CB 1.260 40.257 39.000 -0.005 0.000 1.311 431 F HN -0.067 nan 8.300 nan 0.000 0.524 432 D N 1.238 121.805 120.400 0.279 0.000 2.492 432 D HA 0.171 4.811 4.640 -0.000 0.000 0.248 432 D C 0.319 176.682 176.300 0.105 0.000 1.101 432 D CA -0.410 53.688 54.000 0.164 0.000 0.840 432 D CB 1.696 42.583 40.800 0.146 0.000 1.209 432 D HN 0.367 nan 8.370 nan 0.000 0.524 433 L N 5.028 126.272 121.223 0.034 0.000 2.072 433 L HA 0.122 4.462 4.340 -0.000 0.000 0.205 433 L C 2.045 178.848 176.870 -0.111 0.000 1.079 433 L CA 2.203 56.991 54.840 -0.086 0.000 0.752 433 L CB -0.848 41.090 42.059 -0.202 0.000 0.906 433 L HN 0.547 nan 8.230 nan 0.000 0.436 434 A N -0.262 122.564 122.820 0.009 0.000 1.883 434 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 434 A C 2.461 180.024 177.584 -0.036 0.000 1.186 434 A CA 2.028 54.088 52.037 0.038 0.000 0.624 434 A CB -1.286 17.936 19.000 0.369 0.000 0.822 434 A HN 0.561 nan 8.150 nan 0.000 0.444 435 A N -0.216 122.633 122.820 0.049 0.000 1.940 435 A HA -0.092 4.227 4.320 -0.000 0.000 0.219 435 A C 1.942 179.514 177.584 -0.021 0.000 1.176 435 A CA 1.789 53.844 52.037 0.031 0.000 0.631 435 A CB -0.533 18.501 19.000 0.056 0.000 0.814 435 A HN 0.413 nan 8.150 nan 0.000 0.446 436 I N 0.849 121.425 120.570 0.010 0.000 2.179 436 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 436 I C 2.040 178.188 176.117 0.051 0.000 1.088 436 I CA 1.190 62.553 61.300 0.105 0.000 1.357 436 I CB -2.040 36.029 38.000 0.116 0.000 1.051 436 I HN 0.435 nan 8.210 nan 0.000 0.409 437 N N 0.694 119.284 118.700 -0.184 0.000 2.036 437 N HA -0.189 4.551 4.740 -0.000 0.000 0.195 437 N C 2.007 177.459 175.510 -0.097 0.000 1.037 437 N CA 1.085 53.936 53.050 -0.333 0.000 0.855 437 N CB -0.228 37.502 38.487 -1.262 0.000 1.033 437 N HN 0.261 nan 8.380 nan 0.000 0.423 438 L N 0.742 121.918 121.223 -0.079 0.000 2.012 438 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 438 L C 2.696 179.602 176.870 0.059 0.000 1.073 438 L CA 1.235 56.133 54.840 0.097 0.000 0.748 438 L CB -0.471 41.687 42.059 0.165 0.000 0.891 438 L HN 0.222 nan 8.230 nan 0.000 0.431 439 Q N 0.209 119.967 119.800 -0.070 0.000 2.135 439 Q HA -0.252 4.087 4.340 -0.000 0.000 0.204 439 Q C 2.186 178.187 176.000 0.001 0.000 0.981 439 Q CA 1.639 57.291 55.803 -0.252 0.000 0.856 439 Q CB -0.096 28.121 28.738 -0.869 0.000 0.902 439 Q HN 0.121 nan 8.270 nan 0.000 0.425 440 R N -1.036 119.598 120.500 0.222 0.000 2.115 440 R HA -0.017 4.323 4.340 -0.000 0.000 0.226 440 R C 2.040 178.635 176.300 0.492 0.000 1.100 440 R CA 1.454 57.898 56.100 0.572 0.000 0.980 440 R CB -0.840 29.811 30.300 0.585 0.000 0.875 440 R HN 0.416 nan 8.270 nan 0.000 0.445 441 C N -0.159 119.232 119.300 0.152 0.000 2.429 441 C HA -0.026 4.434 4.460 -0.000 0.000 0.277 441 C C 2.452 177.423 174.990 -0.031 0.000 1.262 441 C CA 0.951 59.748 59.018 -0.368 0.000 1.733 441 C CB -0.821 26.762 27.740 -0.262 0.000 2.010 441 C HN 0.502 nan 8.230 nan 0.000 0.483 442 R N 0.703 121.302 120.500 0.165 0.000 2.073 442 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 442 R C 1.907 178.386 176.300 0.299 0.000 1.120 442 R CA 1.657 57.910 56.100 0.255 0.000 0.967 442 R CB -0.514 29.994 30.300 0.347 0.000 0.862 442 R HN 0.478 nan 8.270 nan 0.000 0.436 443 D N 0.316 120.965 120.400 0.415 0.000 2.158 443 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 443 D C 1.313 177.850 176.300 0.394 0.000 0.995 443 D CA 1.352 55.613 54.000 0.436 0.000 0.846 443 D CB -0.032 41.158 40.800 0.650 0.000 0.941 443 D HN 0.386 nan 8.370 nan 0.000 0.456 444 H N -1.446 117.792 119.070 0.279 0.000 2.539 444 H HA 0.226 4.782 4.556 -0.000 0.000 0.267 444 H C 1.194 176.527 175.328 0.009 0.000 0.982 444 H CA 0.418 56.604 56.048 0.230 0.000 1.146 444 H CB 0.375 30.338 29.762 0.334 0.000 1.382 444 H HN 0.288 nan 8.280 nan 0.000 0.577 445 G N 1.724 110.511 108.800 -0.023 0.000 2.198 445 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 445 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 445 G C 0.432 175.196 174.900 -0.226 0.000 1.025 445 G CA -0.020 44.784 45.100 -0.494 0.000 0.769 445 G HN 0.143 nan 8.290 nan 0.000 0.507 446 M N -0.042 119.523 119.600 -0.058 0.000 2.235 446 M HA 0.101 4.581 4.480 -0.000 0.000 0.336 446 M C -1.606 174.751 176.300 0.095 0.000 1.146 446 M CA -0.909 54.418 55.300 0.044 0.000 1.018 446 M CB -0.601 31.969 32.600 -0.050 0.000 1.694 446 M HN 0.043 nan 8.290 nan 0.000 0.451 447 P HA 0.262 nan 4.420 nan 0.000 0.276 447 P C 0.174 177.522 177.300 0.080 0.000 1.252 447 P CA -0.394 62.691 63.100 -0.025 0.000 0.802 447 P CB 0.492 31.964 31.700 -0.380 0.000 1.035 448 G N -0.440 108.370 108.800 0.016 0.000 2.684 448 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.255 448 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.255 448 G C 0.327 175.357 174.900 0.216 0.000 1.219 448 G CA -0.041 45.121 45.100 0.104 0.000 0.901 448 G HN 0.470 nan 8.290 nan 0.000 0.548 449 Y N 0.619 120.975 120.300 0.093 0.000 2.053 449 Y HA -0.258 4.292 4.550 -0.000 0.000 0.277 449 Y C 2.717 178.690 175.900 0.121 0.000 1.159 449 Y CA 2.642 60.813 58.100 0.119 0.000 1.125 449 Y CB -0.321 38.139 38.460 0.001 0.000 0.969 449 Y HN 0.454 nan 8.280 nan 0.000 0.492 450 N N -0.317 118.370 118.700 -0.022 0.000 2.205 450 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 450 N C 2.137 177.583 175.510 -0.108 0.000 1.015 450 N CA 1.419 54.390 53.050 -0.132 0.000 0.862 450 N CB -0.682 37.795 38.487 -0.016 0.000 0.986 450 N HN 0.436 nan 8.380 nan 0.000 0.429 451 S N -1.156 114.474 115.700 -0.116 0.000 2.447 451 S HA -0.059 4.410 4.470 -0.000 0.000 0.233 451 S C 1.568 175.993 174.600 -0.291 0.000 1.006 451 S CA 0.775 58.836 58.200 -0.232 0.000 0.957 451 S CB -0.178 62.812 63.200 -0.350 0.000 0.773 451 S HN 0.464 nan 8.310 nan 0.000 0.507 452 W N 0.967 122.252 121.300 -0.026 0.000 2.588 452 W HA 0.285 4.945 4.660 -0.001 0.000 0.277 452 W C 2.547 179.077 176.519 0.019 0.000 1.221 452 W CA -0.483 56.869 57.345 0.012 0.000 1.355 452 W CB -0.023 29.424 29.460 -0.022 0.000 1.083 452 W HN 0.048 nan 8.180 nan 0.000 0.581 453 R N 0.339 120.870 120.500 0.053 0.000 2.103 453 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 453 R C 2.228 178.566 176.300 0.064 0.000 1.142 453 R CA 1.710 57.786 56.100 -0.039 0.000 0.960 453 R CB -1.554 28.595 30.300 -0.250 0.000 0.858 453 R HN 0.355 nan 8.270 nan 0.000 0.439 454 G N 0.342 109.174 108.800 0.053 0.000 2.404 454 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.215 454 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.215 454 G C 1.403 176.380 174.900 0.128 0.000 1.174 454 G CA 0.478 45.614 45.100 0.060 0.000 0.780 454 G HN 0.360 nan 8.290 nan 0.000 0.537 455 F N 1.022 120.997 119.950 0.042 0.000 2.192 455 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 455 F C 2.079 177.959 175.800 0.133 0.000 1.079 455 F CA 1.486 59.547 58.000 0.101 0.000 1.303 455 F CB -0.093 39.041 39.000 0.223 0.000 1.024 455 F HN 0.163 nan 8.300 nan 0.000 0.494 456 c N 0.965 119.735 118.600 0.284 0.000 2.697 456 c HA 0.425 4.994 4.570 -0.000 0.000 0.267 456 c C 1.515 175.692 174.090 0.145 0.000 1.278 456 c CA 0.466 56.903 56.329 0.181 0.000 1.708 456 c CB -1.226 41.433 42.510 0.248 0.000 1.860 456 c HN 0.867 nan 8.230 nan 0.000 0.589 457 G N 1.591 110.441 108.800 0.083 0.000 2.298 457 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.287 457 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.287 457 G C -0.365 174.573 174.900 0.063 0.000 1.075 457 G CA 0.108 45.240 45.100 0.053 0.000 0.960 457 G HN 0.537 nan 8.290 nan 0.000 0.502 458 L N -0.140 121.119 121.223 0.059 0.000 2.286 458 L HA 0.744 5.084 4.340 -0.000 0.000 0.265 458 L C 1.353 178.232 176.870 0.015 0.000 1.012 458 L CA -0.735 54.130 54.840 0.043 0.000 0.818 458 L CB 1.631 43.718 42.059 0.048 0.000 1.337 458 L HN 0.431 nan 8.230 nan 0.000 0.438 459 S N 0.130 115.839 115.700 0.015 0.000 2.559 459 S HA 0.055 4.524 4.470 -0.000 0.000 0.282 459 S C -0.325 174.271 174.600 -0.007 0.000 1.336 459 S CA -0.355 57.851 58.200 0.010 0.000 1.037 459 S CB 0.300 63.513 63.200 0.021 0.000 0.853 459 S HN 0.616 nan 8.310 nan 0.000 0.523 460 Q N 2.050 121.849 119.800 -0.001 0.000 2.523 460 Q HA 0.344 4.684 4.340 -0.000 0.000 0.251 460 Q C -2.487 173.527 176.000 0.025 0.000 1.033 460 Q CA -1.891 53.907 55.803 -0.008 0.000 0.746 460 Q CB 1.321 30.050 28.738 -0.015 0.000 1.189 460 Q HN 0.603 nan 8.270 nan 0.000 0.508 461 P HA 0.005 nan 4.420 nan 0.000 0.268 461 P C -0.177 177.160 177.300 0.061 0.000 1.204 461 P CA -0.090 63.048 63.100 0.065 0.000 0.768 461 P CB 1.192 32.950 31.700 0.096 0.000 0.842 462 K N 0.391 120.818 120.400 0.045 0.000 2.402 462 K HA 0.153 4.473 4.320 -0.000 0.000 0.203 462 K C 0.634 177.254 176.600 0.033 0.000 1.077 462 K CA 0.434 56.747 56.287 0.042 0.000 1.051 462 K CB 0.654 33.177 32.500 0.038 0.000 0.907 462 K HN 0.600 nan 8.250 nan 0.000 0.554 463 T N -2.222 112.349 114.554 0.029 0.000 2.906 463 T HA 0.335 4.685 4.350 -0.000 0.000 0.295 463 T C 1.108 175.817 174.700 0.015 0.000 1.061 463 T CA -0.828 61.284 62.100 0.019 0.000 1.000 463 T CB 1.857 70.737 68.868 0.020 0.000 1.103 463 T HN -0.137 nan 8.240 nan 0.000 0.486 464 L N 1.018 122.244 121.223 0.006 0.000 2.010 464 L HA -0.217 4.123 4.340 -0.000 0.000 0.219 464 L C 2.762 179.637 176.870 0.008 0.000 1.077 464 L CA 2.110 56.952 54.840 0.003 0.000 0.773 464 L CB -0.454 41.605 42.059 -0.001 0.000 0.892 464 L HN 0.933 nan 8.230 nan 0.000 0.436 465 K N -0.691 119.715 120.400 0.010 0.000 2.059 465 K HA -0.220 4.100 4.320 -0.000 0.000 0.212 465 K C 1.856 178.467 176.600 0.017 0.000 1.050 465 K CA 1.825 58.120 56.287 0.013 0.000 0.927 465 K CB -0.419 32.088 32.500 0.013 0.000 0.714 465 K HN 0.544 nan 8.250 nan 0.000 0.447 466 G N 1.290 110.103 108.800 0.022 0.000 2.421 466 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.216 466 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.216 466 G C 1.405 176.328 174.900 0.039 0.000 1.171 466 G CA 0.738 45.857 45.100 0.031 0.000 0.775 466 G HN 0.308 nan 8.290 nan 0.000 0.543 467 L N 0.384 121.629 121.223 0.037 0.000 2.141 467 L HA 0.014 4.353 4.340 -0.000 0.000 0.209 467 L C 2.893 179.775 176.870 0.021 0.000 1.094 467 L CA 1.705 56.568 54.840 0.037 0.000 0.763 467 L CB -0.505 41.561 42.059 0.012 0.000 0.908 467 L HN 0.299 nan 8.230 nan 0.000 0.437 468 Q N -0.767 119.041 119.800 0.013 0.000 2.061 468 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 468 Q C 2.256 178.264 176.000 0.014 0.000 0.984 468 Q CA 1.843 57.651 55.803 0.009 0.000 0.846 468 Q CB -0.388 28.355 28.738 0.008 0.000 0.902 468 Q HN 0.696 nan 8.270 nan 0.000 0.421 469 A N 0.144 122.977 122.820 0.020 0.000 1.933 469 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 469 A C 2.294 179.896 177.584 0.030 0.000 1.175 469 A CA 1.377 53.427 52.037 0.023 0.000 0.628 469 A CB -0.576 18.439 19.000 0.024 0.000 0.814 469 A HN 0.215 nan 8.150 nan 0.000 0.444 470 V N -0.601 119.339 119.914 0.043 0.000 2.283 470 V HA -0.150 3.970 4.120 -0.000 0.000 0.243 470 V C 2.227 178.350 176.094 0.049 0.000 1.039 470 V CA 1.618 63.955 62.300 0.061 0.000 1.016 470 V CB -0.603 31.285 31.823 0.107 0.000 0.650 470 V HN 0.461 nan 8.190 nan 0.000 0.449 471 L N -0.292 120.950 121.223 0.031 0.000 2.552 471 L HA 0.113 4.453 4.340 -0.000 0.000 0.227 471 L C 1.298 178.169 176.870 0.002 0.000 1.146 471 L CA 0.827 55.671 54.840 0.007 0.000 0.858 471 L CB -1.358 40.688 42.059 -0.022 0.000 0.969 471 L HN 0.380 nan 8.230 nan 0.000 0.451 472 K N 0.556 120.961 120.400 0.009 0.000 3.003 472 K HA -0.251 4.069 4.320 -0.000 0.000 0.257 472 K C 0.165 176.764 176.600 -0.000 0.000 0.958 472 K CA 0.608 56.898 56.287 0.005 0.000 0.707 472 K CB -1.395 31.108 32.500 0.006 0.000 1.279 472 K HN 0.359 nan 8.250 nan 0.000 0.479 473 N N 0.234 118.932 118.700 -0.003 0.000 2.478 473 N HA 0.156 4.896 4.740 -0.000 0.000 0.291 473 N C 0.132 175.639 175.510 -0.005 0.000 1.090 473 N CA -0.538 52.509 53.050 -0.006 0.000 0.911 473 N CB 1.361 39.841 38.487 -0.012 0.000 1.546 473 N HN -0.055 nan 8.380 nan 0.000 0.500 474 K N 1.280 121.679 120.400 -0.002 0.000 2.007 474 K HA 0.001 4.321 4.320 -0.000 0.000 0.206 474 K C 1.609 178.208 176.600 -0.001 0.000 1.047 474 K CA 1.247 57.534 56.287 -0.000 0.000 0.937 474 K CB 0.121 32.622 32.500 0.002 0.000 0.718 474 K HN 0.297 nan 8.250 nan 0.000 0.438 475 V N 1.786 121.700 119.914 -0.000 0.000 2.392 475 V HA -0.236 3.883 4.120 -0.000 0.000 0.249 475 V C 2.184 178.278 176.094 0.001 0.000 1.059 475 V CA 1.407 63.708 62.300 0.002 0.000 1.051 475 V CB -0.441 31.384 31.823 0.005 0.000 0.658 475 V HN 0.253 nan 8.190 nan 0.000 0.455 476 L N 0.915 122.135 121.223 -0.005 0.000 2.044 476 L HA 0.085 4.425 4.340 -0.000 0.000 0.205 476 L C 2.491 179.351 176.870 -0.017 0.000 1.075 476 L CA 2.163 56.996 54.840 -0.011 0.000 0.747 476 L CB -1.002 41.043 42.059 -0.023 0.000 0.903 476 L HN 0.188 nan 8.230 nan 0.000 0.435 477 A N -0.665 122.143 122.820 -0.020 0.000 1.978 477 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 477 A C 2.453 180.030 177.584 -0.012 0.000 1.170 477 A CA 2.102 54.125 52.037 -0.023 0.000 0.636 477 A CB -0.608 18.383 19.000 -0.015 0.000 0.810 477 A HN 0.510 nan 8.150 nan 0.000 0.448 478 K N -0.429 119.969 120.400 -0.004 0.000 2.116 478 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 478 K C 1.990 178.594 176.600 0.007 0.000 1.052 478 K CA 1.337 57.624 56.287 0.000 0.000 0.952 478 K CB -0.112 32.389 32.500 0.001 0.000 0.729 478 K HN 0.426 nan 8.250 nan 0.000 0.446 479 K N 0.288 120.696 120.400 0.013 0.000 2.057 479 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 479 K C 1.944 178.574 176.600 0.050 0.000 1.050 479 K CA 0.774 57.076 56.287 0.026 0.000 0.935 479 K CB -0.028 32.490 32.500 0.029 0.000 0.715 479 K HN 0.019 nan 8.250 nan 0.000 0.439 480 L N 1.010 122.265 121.223 0.054 0.000 2.093 480 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 480 L C 1.849 178.808 176.870 0.148 0.000 1.085 480 L CA 1.548 56.455 54.840 0.112 0.000 0.755 480 L CB -0.355 41.700 42.059 -0.006 0.000 0.904 480 L HN 0.189 nan 8.230 nan 0.000 0.435 481 L N -1.420 119.833 121.223 0.050 0.000 2.131 481 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 481 L C 1.989 178.851 176.870 -0.013 0.000 1.087 481 L CA 0.674 55.523 54.840 0.017 0.000 0.767 481 L CB -0.577 41.471 42.059 -0.019 0.000 0.917 481 L HN 0.182 nan 8.230 nan 0.000 0.441 482 D N 0.330 120.725 120.400 -0.009 0.000 2.228 482 D HA -0.177 4.463 4.640 -0.000 0.000 0.203 482 D C 2.249 178.520 176.300 -0.048 0.000 0.988 482 D CA 1.215 55.197 54.000 -0.029 0.000 0.864 482 D CB 0.072 40.863 40.800 -0.014 0.000 0.928 482 D HN 0.284 nan 8.370 nan 0.000 0.469 483 L N -1.440 119.763 121.223 -0.033 0.000 2.200 483 L HA -0.036 4.304 4.340 -0.000 0.000 0.200 483 L C 1.724 178.455 176.870 -0.231 0.000 1.072 483 L CA 0.535 55.295 54.840 -0.133 0.000 0.787 483 L CB -0.061 41.901 42.059 -0.160 0.000 0.957 483 L HN 0.008 nan 8.230 nan 0.000 0.459 484 Y N -0.334 119.917 120.300 -0.083 0.000 2.500 484 Y HA 0.004 4.554 4.550 -0.000 0.000 0.270 484 Y C 1.186 176.955 175.900 -0.218 0.000 1.134 484 Y CA -0.234 57.807 58.100 -0.098 0.000 1.293 484 Y CB 0.347 38.766 38.460 -0.067 0.000 1.063 484 Y HN -0.006 nan 8.280 nan 0.000 0.534 485 K N -0.635 119.659 120.400 -0.177 0.000 3.553 485 K HA -0.271 4.049 4.320 -0.000 0.000 0.280 485 K C 0.371 176.703 176.600 -0.446 0.000 1.061 485 K CA 1.705 57.691 56.287 -0.502 0.000 1.101 485 K CB -1.883 29.914 32.500 -1.171 0.000 1.421 485 K HN 0.378 nan 8.250 nan 0.000 0.440 486 T N -0.862 113.569 114.554 -0.205 0.000 3.012 486 T HA 0.432 4.782 4.350 -0.000 0.000 0.330 486 T C -2.554 172.150 174.700 0.007 0.000 1.321 486 T CA -1.226 60.833 62.100 -0.069 0.000 1.067 486 T CB 2.153 71.027 68.868 0.010 0.000 1.235 486 T HN -0.264 nan 8.240 nan 0.000 0.479 487 P HA -0.034 nan 4.420 nan 0.000 0.220 487 P C 0.807 178.160 177.300 0.088 0.000 1.144 487 P CA 0.852 63.982 63.100 0.049 0.000 0.800 487 P CB 0.171 31.931 31.700 0.101 0.000 0.772 488 D N -1.361 119.083 120.400 0.073 0.000 2.263 488 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 488 D C 1.284 177.615 176.300 0.052 0.000 0.971 488 D CA 0.948 54.987 54.000 0.064 0.000 0.867 488 D CB -0.441 40.392 40.800 0.055 0.000 0.929 488 D HN 0.161 nan 8.370 nan 0.000 0.492 489 N N -0.195 118.541 118.700 0.060 0.000 2.282 489 N HA 0.047 4.786 4.740 -0.000 0.000 0.185 489 N C 0.022 175.565 175.510 0.055 0.000 1.099 489 N CA -0.208 52.898 53.050 0.094 0.000 0.878 489 N CB 0.444 39.040 38.487 0.181 0.000 0.993 489 N HN 0.089 nan 8.380 nan 0.000 0.481 490 I N 2.286 122.691 120.570 -0.275 0.000 2.821 490 I HA -0.144 4.026 4.170 -0.000 0.000 0.294 490 I C 0.664 176.615 176.117 -0.277 0.000 1.210 490 I CA 0.072 60.870 61.300 -0.835 0.000 1.430 490 I CB -0.022 37.557 38.000 -0.703 0.000 1.356 490 I HN -0.051 nan 8.210 nan 0.000 0.563 491 D N 6.180 126.466 120.400 -0.191 0.000 2.424 491 D HA -0.008 4.632 4.640 -0.000 0.000 0.244 491 D C 1.500 177.862 176.300 0.103 0.000 1.134 491 D CA -0.193 53.864 54.000 0.095 0.000 0.881 491 D CB 1.358 42.302 40.800 0.239 0.000 1.191 491 D HN 0.417 nan 8.370 nan 0.000 0.445 492 I N 2.281 122.947 120.570 0.159 0.000 2.151 492 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 492 I C 2.016 178.238 176.117 0.175 0.000 1.080 492 I CA 1.449 62.857 61.300 0.181 0.000 1.339 492 I CB -0.382 37.679 38.000 0.102 0.000 1.039 492 I HN 0.646 nan 8.210 nan 0.000 0.409 493 W N 1.403 122.724 121.300 0.035 0.000 2.302 493 W HA -0.278 4.382 4.660 -0.000 0.000 0.320 493 W C 2.455 179.018 176.519 0.072 0.000 1.241 493 W CA 2.447 59.846 57.345 0.090 0.000 1.264 493 W CB -0.627 28.928 29.460 0.158 0.000 1.154 493 W HN 0.184 nan 8.180 nan 0.000 0.483 494 I N 0.011 120.594 120.570 0.021 0.000 2.716 494 I HA 0.002 4.171 4.170 -0.000 0.000 0.259 494 I C 2.339 178.298 176.117 -0.264 0.000 1.172 494 I CA 1.448 62.596 61.300 -0.253 0.000 1.478 494 I CB -0.854 37.128 38.000 -0.029 0.000 1.104 494 I HN 0.111 nan 8.210 nan 0.000 0.439 495 G N 0.095 108.759 108.800 -0.227 0.000 2.418 495 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 495 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 495 G C 1.567 176.335 174.900 -0.220 0.000 1.158 495 G CA 0.714 45.535 45.100 -0.465 0.000 0.771 495 G HN 0.505 nan 8.290 nan 0.000 0.545 496 G N 0.441 109.249 108.800 0.013 0.000 2.408 496 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.215 496 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.215 496 G C 1.560 176.426 174.900 -0.056 0.000 1.156 496 G CA 0.666 45.808 45.100 0.071 0.000 0.793 496 G HN 0.503 nan 8.290 nan 0.000 0.535 497 N N 0.440 119.030 118.700 -0.183 0.000 2.550 497 N HA 0.181 4.921 4.740 -0.000 0.000 0.186 497 N C 2.022 177.428 175.510 -0.174 0.000 1.110 497 N CA 0.520 53.440 53.050 -0.218 0.000 0.912 497 N CB 0.113 38.334 38.487 -0.444 0.000 0.968 497 N HN 0.341 nan 8.380 nan 0.000 0.448 498 A N 0.413 123.133 122.820 -0.165 0.000 2.095 498 A HA 0.050 4.370 4.320 -0.000 0.000 0.212 498 A C 0.546 178.083 177.584 -0.078 0.000 1.162 498 A CA 0.137 52.093 52.037 -0.134 0.000 0.753 498 A CB 0.143 19.035 19.000 -0.179 0.000 0.840 498 A HN 0.233 nan 8.150 nan 0.000 0.468 499 E N 1.265 121.438 120.200 -0.045 0.000 2.392 499 E HA 0.230 4.579 4.350 -0.000 0.000 0.264 499 E C -2.409 174.186 176.600 -0.008 0.000 1.024 499 E CA -1.772 54.630 56.400 0.003 0.000 0.903 499 E CB -0.048 29.685 29.700 0.056 0.000 0.963 499 E HN 0.211 nan 8.360 nan 0.000 0.432 500 P HA -0.033 nan 4.420 nan 0.000 0.269 500 P C -0.493 176.804 177.300 -0.005 0.000 1.215 500 P CA 0.327 63.424 63.100 -0.005 0.000 0.780 500 P CB 0.493 32.194 31.700 0.001 0.000 0.898 501 M N 1.421 121.014 119.600 -0.012 0.000 2.243 501 M HA 0.155 4.635 4.480 -0.000 0.000 0.341 501 M C 0.431 176.724 176.300 -0.012 0.000 1.130 501 M CA -0.559 54.730 55.300 -0.018 0.000 1.162 501 M CB 0.428 33.015 32.600 -0.021 0.000 1.497 501 M HN 0.133 nan 8.290 nan 0.000 0.456 502 V N -0.248 119.659 119.914 -0.013 0.000 3.051 502 V HA 0.228 4.348 4.120 -0.000 0.000 0.306 502 V C 0.242 176.329 176.094 -0.012 0.000 1.083 502 V CA -0.912 61.387 62.300 -0.002 0.000 1.104 502 V CB 0.689 32.520 31.823 0.013 0.000 1.027 502 V HN 0.925 nan 8.190 nan 0.000 0.483 503 E N 2.438 122.633 120.200 -0.008 0.000 2.529 503 E HA 0.021 4.370 4.350 -0.000 0.000 0.259 503 E C 0.701 177.286 176.600 -0.025 0.000 0.966 503 E CA 0.698 57.089 56.400 -0.015 0.000 0.937 503 E CB 0.051 29.744 29.700 -0.012 0.000 0.923 503 E HN 0.746 nan 8.360 nan 0.000 0.468 504 R N 0.805 121.284 120.500 -0.034 0.000 4.010 504 R HA -0.223 4.116 4.340 -0.000 0.000 0.409 504 R C 0.422 176.682 176.300 -0.066 0.000 1.120 504 R CA 0.780 56.850 56.100 -0.050 0.000 1.244 504 R CB -2.007 28.266 30.300 -0.045 0.000 1.799 504 R HN 0.623 nan 8.270 nan 0.000 0.559 505 G N -0.773 107.992 108.800 -0.058 0.000 2.887 505 G HA2 0.582 4.542 3.960 -0.000 0.000 0.277 505 G HA3 0.582 4.542 3.960 -0.000 0.000 0.277 505 G C 0.321 175.183 174.900 -0.062 0.000 1.346 505 G CA -0.584 44.474 45.100 -0.071 0.000 1.058 505 G HN 0.003 nan 8.290 nan 0.000 0.535 506 R N -0.954 119.506 120.500 -0.066 0.000 2.549 506 R HA 0.247 4.587 4.340 -0.000 0.000 0.361 506 R C 0.047 176.286 176.300 -0.102 0.000 0.969 506 R CA 0.012 56.100 56.100 -0.020 0.000 1.158 506 R CB 0.348 30.733 30.300 0.141 0.000 1.456 506 R HN 0.502 nan 8.270 nan 0.000 0.540 507 V N -3.855 115.950 119.914 -0.182 0.000 3.158 507 V HA 0.951 5.071 4.120 -0.000 0.000 0.311 507 V C 0.298 176.323 176.094 -0.114 0.000 1.181 507 V CA -1.008 61.159 62.300 -0.222 0.000 1.054 507 V CB 1.649 33.219 31.823 -0.421 0.000 1.085 507 V HN 0.028 nan 8.190 nan 0.000 0.446 508 G N -0.711 108.041 108.800 -0.080 0.000 2.531 508 G HA2 0.609 4.569 3.960 -0.000 0.000 0.313 508 G HA3 0.609 4.569 3.960 -0.000 0.000 0.313 508 G C -1.983 172.920 174.900 0.005 0.000 1.238 508 G CA -1.295 43.792 45.100 -0.022 0.000 0.994 508 G HN 0.614 nan 8.290 nan 0.000 0.493 509 P HA -0.191 nan 4.420 nan 0.000 0.216 509 P C 2.106 179.450 177.300 0.074 0.000 1.167 509 P CA 0.999 64.151 63.100 0.087 0.000 0.933 509 P CB 0.085 31.839 31.700 0.089 0.000 0.793 510 L N -1.832 119.429 121.223 0.063 0.000 2.046 510 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 510 L C 2.128 178.993 176.870 -0.009 0.000 1.077 510 L CA 1.880 56.750 54.840 0.049 0.000 0.747 510 L CB -1.448 40.659 42.059 0.080 0.000 0.896 510 L HN -0.133 nan 8.230 nan 0.000 0.432 511 L N -0.121 121.086 121.223 -0.027 0.000 2.056 511 L HA -0.017 4.322 4.340 -0.000 0.000 0.207 511 L C 2.697 179.490 176.870 -0.127 0.000 1.078 511 L CA 1.882 56.676 54.840 -0.075 0.000 0.749 511 L CB -1.652 40.350 42.059 -0.095 0.000 0.901 511 L HN 0.351 nan 8.230 nan 0.000 0.433 512 A N -1.464 121.283 122.820 -0.122 0.000 1.986 512 A HA -0.320 4.000 4.320 -0.000 0.000 0.220 512 A C 2.617 179.969 177.584 -0.387 0.000 1.171 512 A CA 1.923 53.877 52.037 -0.137 0.000 0.640 512 A CB -1.379 17.628 19.000 0.011 0.000 0.811 512 A HN 0.617 nan 8.150 nan 0.000 0.451 513 c N -0.662 117.654 118.600 -0.474 0.000 2.489 513 c HA 0.048 4.618 4.570 -0.000 0.000 0.279 513 c C 2.575 176.261 174.090 -0.672 0.000 1.266 513 c CA 1.117 56.807 56.329 -1.065 0.000 1.707 513 c CB -1.498 40.685 42.510 -0.545 0.000 2.059 513 c HN 0.568 nan 8.230 nan 0.000 0.481 514 L N 0.593 121.686 121.223 -0.217 0.000 2.056 514 L HA -0.098 4.241 4.340 -0.000 0.000 0.207 514 L C 2.728 179.683 176.870 0.142 0.000 1.078 514 L CA 1.377 56.245 54.840 0.047 0.000 0.749 514 L CB -0.616 41.429 42.059 -0.023 0.000 0.901 514 L HN 0.413 nan 8.230 nan 0.000 0.433 515 L N -0.604 120.653 121.223 0.057 0.000 2.005 515 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 515 L C 2.744 179.743 176.870 0.215 0.000 1.072 515 L CA 1.468 56.437 54.840 0.214 0.000 0.744 515 L CB -1.310 40.822 42.059 0.122 0.000 0.895 515 L HN 0.301 nan 8.230 nan 0.000 0.433 516 G N -0.114 108.692 108.800 0.010 0.000 2.491 516 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.218 516 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.218 516 G C 1.696 176.677 174.900 0.135 0.000 1.180 516 G CA 0.846 45.993 45.100 0.078 0.000 0.774 516 G HN 0.262 nan 8.290 nan 0.000 0.562 517 R N -0.296 120.193 120.500 -0.018 0.000 2.096 517 R HA -0.154 4.186 4.340 -0.000 0.000 0.240 517 R C 2.698 179.061 176.300 0.106 0.000 1.139 517 R CA 1.828 57.953 56.100 0.042 0.000 0.952 517 R CB -0.372 29.854 30.300 -0.123 0.000 0.854 517 R HN 0.436 nan 8.270 nan 0.000 0.436 518 Q N 0.135 120.018 119.800 0.138 0.000 2.020 518 Q HA -0.143 4.196 4.340 -0.000 0.000 0.202 518 Q C 1.712 177.602 176.000 -0.184 0.000 0.982 518 Q CA 1.803 57.553 55.803 -0.088 0.000 0.838 518 Q CB -0.256 28.106 28.738 -0.626 0.000 0.899 518 Q HN 0.231 nan 8.270 nan 0.000 0.423 519 F N 0.820 120.778 119.950 0.014 0.000 2.216 519 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 519 F C 2.482 178.450 175.800 0.279 0.000 1.085 519 F CA 1.529 59.614 58.000 0.141 0.000 1.326 519 F CB -0.522 38.484 39.000 0.011 0.000 1.027 519 F HN 0.297 nan 8.300 nan 0.000 0.497 520 Q N 0.548 120.560 119.800 0.354 0.000 2.124 520 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 520 Q C 1.958 178.052 176.000 0.156 0.000 0.977 520 Q CA 1.735 57.692 55.803 0.256 0.000 0.850 520 Q CB -0.186 28.681 28.738 0.216 0.000 0.901 520 Q HN 0.517 nan 8.270 nan 0.000 0.429 521 Q N 0.233 120.109 119.800 0.127 0.000 2.083 521 Q HA -0.082 4.258 4.340 -0.000 0.000 0.198 521 Q C 2.315 178.379 176.000 0.106 0.000 0.969 521 Q CA 1.512 57.372 55.803 0.094 0.000 0.838 521 Q CB -0.156 28.634 28.738 0.086 0.000 0.900 521 Q HN 0.620 nan 8.270 nan 0.000 0.436 522 I N -1.481 119.154 120.570 0.109 0.000 2.394 522 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 522 I C 2.501 178.745 176.117 0.212 0.000 1.136 522 I CA 1.072 62.469 61.300 0.163 0.000 1.425 522 I CB -0.420 37.676 38.000 0.159 0.000 1.079 522 I HN 0.066 nan 8.210 nan 0.000 0.425 523 R N 1.849 122.366 120.500 0.029 0.000 2.055 523 R HA -0.161 4.179 4.340 -0.000 0.000 0.228 523 R C 1.743 177.889 176.300 -0.258 0.000 1.143 523 R CA 2.344 58.142 56.100 -0.503 0.000 0.945 523 R CB -0.464 29.224 30.300 -1.020 0.000 0.841 523 R HN 0.366 nan 8.270 nan 0.000 0.429 524 D N -0.565 119.808 120.400 -0.046 0.000 2.218 524 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 524 D C 1.482 177.921 176.300 0.230 0.000 0.976 524 D CA 1.475 55.538 54.000 0.105 0.000 0.853 524 D CB -0.319 40.515 40.800 0.057 0.000 0.939 524 D HN 0.535 nan 8.370 nan 0.000 0.481 525 G N -0.272 108.687 108.800 0.266 0.000 3.088 525 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.217 525 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.217 525 G C -0.097 175.179 174.900 0.627 0.000 1.159 525 G CA -0.249 45.091 45.100 0.401 0.000 0.760 525 G HN 0.032 nan 8.290 nan 0.000 0.550 526 D N 0.041 120.748 120.400 0.513 0.000 2.443 526 D HA 0.208 4.848 4.640 -0.000 0.000 0.221 526 D C 1.517 177.817 176.300 0.001 0.000 1.097 526 D CA -0.739 53.493 54.000 0.387 0.000 0.865 526 D CB 0.954 42.084 40.800 0.551 0.000 1.034 526 D HN 0.042 nan 8.370 nan 0.000 0.511 527 R N 2.616 122.817 120.500 -0.498 0.000 2.170 527 R HA -0.128 4.212 4.340 -0.000 0.000 0.242 527 R C 0.665 176.528 176.300 -0.728 0.000 1.145 527 R CA 1.368 56.828 56.100 -1.067 0.000 0.984 527 R CB -0.093 29.538 30.300 -1.114 0.000 0.869 527 R HN 0.420 nan 8.270 nan 0.000 0.455 528 F N -0.764 119.059 119.950 -0.212 0.000 2.641 528 F HA 0.136 4.662 4.527 -0.000 0.000 0.302 528 F C 0.456 176.285 175.800 0.047 0.000 1.098 528 F CA -0.776 57.154 58.000 -0.117 0.000 1.318 528 F CB 0.022 38.926 39.000 -0.160 0.000 1.035 528 F HN 0.100 nan 8.300 nan 0.000 0.551 529 W N 3.113 124.435 121.300 0.036 0.000 2.314 529 W HA -0.162 4.498 4.660 -0.000 0.000 0.339 529 W C 1.257 177.826 176.519 0.083 0.000 1.293 529 W CA -0.415 56.956 57.345 0.042 0.000 1.288 529 W CB 0.411 29.781 29.460 -0.150 0.000 1.186 529 W HN 0.502 nan 8.180 nan 0.000 0.566 530 W N 4.683 125.627 121.300 -0.594 0.000 2.350 530 W HA -0.185 4.475 4.660 -0.000 0.000 0.289 530 W C 1.028 177.536 176.519 -0.018 0.000 1.215 530 W CA 1.513 58.777 57.345 -0.135 0.000 1.236 530 W CB -0.815 28.530 29.460 -0.192 0.000 1.130 530 W HN 0.455 nan 8.180 nan 0.000 0.541 531 E N 0.749 120.301 120.200 -1.080 0.000 2.371 531 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 531 E C 0.236 176.881 176.600 0.075 0.000 1.012 531 E CA 0.018 56.029 56.400 -0.648 0.000 0.860 531 E CB -0.349 28.913 29.700 -0.730 0.000 0.811 531 E HN 0.083 nan 8.360 nan 0.000 0.502 532 N N 2.365 121.215 118.700 0.249 0.000 2.440 532 N HA -0.003 4.737 4.740 -0.000 0.000 0.265 532 N C -2.656 172.927 175.510 0.121 0.000 1.239 532 N CA -1.255 51.978 53.050 0.305 0.000 0.909 532 N CB 0.611 39.247 38.487 0.249 0.000 1.066 532 N HN -0.235 nan 8.380 nan 0.000 0.474 533 P HA 0.113 nan 4.420 nan 0.000 0.262 533 P C 0.678 177.978 177.300 -0.000 0.000 1.182 533 P CA 0.569 63.695 63.100 0.042 0.000 0.761 533 P CB 0.616 32.334 31.700 0.029 0.000 0.795 534 G N 1.180 109.974 108.800 -0.010 0.000 2.254 534 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.225 534 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.225 534 G C 0.929 175.776 174.900 -0.088 0.000 1.003 534 G CA 0.182 45.251 45.100 -0.050 0.000 0.622 534 G HN 0.389 nan 8.290 nan 0.000 0.507 535 V N -0.179 119.677 119.914 -0.096 0.000 2.407 535 V HA 0.376 4.496 4.120 -0.000 0.000 0.245 535 V C 1.111 176.970 176.094 -0.391 0.000 1.041 535 V CA 1.820 63.989 62.300 -0.219 0.000 1.040 535 V CB -0.350 31.370 31.823 -0.172 0.000 0.671 535 V HN 0.311 nan 8.190 nan 0.000 0.455 536 F N -0.767 119.215 119.950 0.054 0.000 2.613 536 F HA 0.490 5.017 4.527 -0.000 0.000 0.314 536 F C 0.508 176.289 175.800 -0.033 0.000 1.075 536 F CA -0.874 57.139 58.000 0.021 0.000 0.945 536 F CB 1.688 40.744 39.000 0.093 0.000 1.310 536 F HN -0.153 nan 8.300 nan 0.000 0.467 537 T N -2.034 112.581 114.554 0.102 0.000 2.899 537 T HA 0.130 4.480 4.350 -0.000 0.000 0.295 537 T C 0.894 175.607 174.700 0.022 0.000 1.033 537 T CA -0.561 61.548 62.100 0.014 0.000 1.084 537 T CB 1.392 70.224 68.868 -0.060 0.000 0.979 537 T HN 0.733 nan 8.240 nan 0.000 0.532 538 E N 0.747 120.960 120.200 0.021 0.000 2.187 538 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 538 E C 1.795 178.403 176.600 0.014 0.000 1.004 538 E CA 1.393 57.811 56.400 0.030 0.000 0.813 538 E CB 0.014 29.728 29.700 0.022 0.000 0.736 538 E HN 0.700 nan 8.360 nan 0.000 0.468 539 K N -0.147 120.238 120.400 -0.025 0.000 2.116 539 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 539 K C 2.224 178.766 176.600 -0.097 0.000 1.052 539 K CA 0.681 56.942 56.287 -0.044 0.000 0.952 539 K CB 0.135 32.602 32.500 -0.054 0.000 0.729 539 K HN 0.089 nan 8.250 nan 0.000 0.446 540 Q N -0.171 119.501 119.800 -0.213 0.000 2.123 540 Q HA -0.071 4.269 4.340 -0.000 0.000 0.199 540 Q C 2.022 177.940 176.000 -0.136 0.000 0.966 540 Q CA 1.038 56.572 55.803 -0.447 0.000 0.845 540 Q CB 0.125 28.398 28.738 -0.774 0.000 0.907 540 Q HN 0.176 nan 8.270 nan 0.000 0.439 541 R N 0.663 121.170 120.500 0.012 0.000 2.070 541 R HA -0.136 4.204 4.340 -0.000 0.000 0.233 541 R C 1.852 178.254 176.300 0.169 0.000 1.137 541 R CA 1.364 57.565 56.100 0.168 0.000 0.945 541 R CB -0.295 30.136 30.300 0.217 0.000 0.845 541 R HN 0.318 nan 8.270 nan 0.000 0.430 542 D N 0.091 120.557 120.400 0.111 0.000 2.149 542 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 542 D C 1.827 178.181 176.300 0.090 0.000 1.001 542 D CA 1.406 55.465 54.000 0.098 0.000 0.849 542 D CB 0.014 40.853 40.800 0.064 0.000 0.939 542 D HN 0.090 nan 8.370 nan 0.000 0.449 543 S N -0.463 115.291 115.700 0.090 0.000 2.383 543 S HA -0.038 4.432 4.470 -0.000 0.000 0.227 543 S C 2.167 176.824 174.600 0.094 0.000 1.026 543 S CA 0.377 58.648 58.200 0.119 0.000 0.981 543 S CB -0.049 63.287 63.200 0.227 0.000 0.818 543 S HN 0.203 nan 8.310 nan 0.000 0.472 544 L N 0.878 122.145 121.223 0.074 0.000 2.291 544 L HA 0.012 4.351 4.340 -0.000 0.000 0.214 544 L C 2.462 179.267 176.870 -0.108 0.000 1.120 544 L CA 0.766 55.574 54.840 -0.052 0.000 0.799 544 L CB -0.364 41.581 42.059 -0.190 0.000 0.925 544 L HN 0.334 nan 8.230 nan 0.000 0.446 545 Q N -0.111 119.690 119.800 0.002 0.000 2.439 545 Q HA -0.174 4.166 4.340 -0.000 0.000 0.211 545 Q C 1.659 177.666 176.000 0.012 0.000 0.978 545 Q CA 1.034 56.855 55.803 0.029 0.000 0.897 545 Q CB 0.095 28.914 28.738 0.135 0.000 0.956 545 Q HN 0.392 nan 8.270 nan 0.000 0.483 546 K N 0.001 120.405 120.400 0.006 0.000 2.367 546 K HA 0.066 4.386 4.320 -0.000 0.000 0.194 546 K C 0.291 176.889 176.600 -0.004 0.000 1.027 546 K CA -0.054 56.238 56.287 0.008 0.000 1.075 546 K CB 0.652 33.162 32.500 0.016 0.000 0.845 546 K HN 0.083 nan 8.250 nan 0.000 0.529 547 V N 0.402 120.311 119.914 -0.009 0.000 3.032 547 V HA 0.154 4.274 4.120 -0.000 0.000 0.307 547 V C -0.024 176.095 176.094 0.042 0.000 1.097 547 V CA -0.468 61.857 62.300 0.041 0.000 1.191 547 V CB 1.088 32.997 31.823 0.142 0.000 0.964 547 V HN 0.232 nan 8.190 nan 0.000 0.494 548 S N 2.030 117.785 115.700 0.092 0.000 2.547 548 S HA 0.506 4.976 4.470 -0.000 0.000 0.270 548 S C -0.255 174.412 174.600 0.110 0.000 1.150 548 S CA -0.364 57.868 58.200 0.054 0.000 0.850 548 S CB 1.170 64.362 63.200 -0.013 0.000 1.118 548 S HN 0.857 nan 8.310 nan 0.000 0.461 549 F N 2.476 122.370 119.950 -0.093 0.000 2.171 549 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 549 F C 2.466 178.199 175.800 -0.113 0.000 1.090 549 F CA 2.241 60.182 58.000 -0.099 0.000 1.293 549 F CB -0.510 38.271 39.000 -0.364 0.000 1.013 549 F HN 0.694 nan 8.300 nan 0.000 0.486 550 S N 0.184 115.841 115.700 -0.072 0.000 2.368 550 S HA -0.318 4.152 4.470 -0.000 0.000 0.226 550 S C 1.996 176.494 174.600 -0.170 0.000 1.044 550 S CA 1.717 59.842 58.200 -0.124 0.000 1.062 550 S CB -0.471 62.654 63.200 -0.125 0.000 0.931 550 S HN 0.306 nan 8.310 nan 0.000 0.440 551 R N 1.246 121.657 120.500 -0.149 0.000 2.070 551 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 551 R C 2.198 178.353 176.300 -0.242 0.000 1.138 551 R CA 1.315 57.320 56.100 -0.158 0.000 0.936 551 R CB -1.177 29.053 30.300 -0.117 0.000 0.839 551 R HN 0.350 nan 8.270 nan 0.000 0.429 552 L N 0.375 121.406 121.223 -0.321 0.000 2.085 552 L HA -0.255 4.084 4.340 -0.000 0.000 0.218 552 L C 1.877 178.475 176.870 -0.452 0.000 1.080 552 L CA 1.871 56.423 54.840 -0.479 0.000 0.776 552 L CB -0.578 41.073 42.059 -0.680 0.000 0.891 552 L HN 0.299 nan 8.230 nan 0.000 0.437 553 I N -0.989 119.304 120.570 -0.461 0.000 2.142 553 I HA -0.329 3.841 4.170 -0.000 0.000 0.240 553 I C 2.692 178.678 176.117 -0.218 0.000 1.078 553 I CA 1.560 62.669 61.300 -0.319 0.000 1.343 553 I CB -1.827 36.045 38.000 -0.213 0.000 1.046 553 I HN 0.402 nan 8.210 nan 0.000 0.405 554 c N 0.992 119.485 118.600 -0.179 0.000 2.413 554 c HA -0.189 4.381 4.570 -0.000 0.000 0.276 554 c C 2.344 176.339 174.090 -0.159 0.000 1.248 554 c CA 0.776 57.024 56.329 -0.135 0.000 1.742 554 c CB -1.081 41.365 42.510 -0.106 0.000 2.017 554 c HN 0.505 nan 8.230 nan 0.000 0.481 555 D N 0.327 120.615 120.400 -0.187 0.000 2.312 555 D HA -0.036 4.604 4.640 -0.000 0.000 0.211 555 D C 1.064 177.240 176.300 -0.207 0.000 0.964 555 D CA 0.958 54.846 54.000 -0.186 0.000 0.877 555 D CB -0.400 40.283 40.800 -0.195 0.000 0.924 555 D HN 0.572 nan 8.370 nan 0.000 0.515 556 N N -0.108 118.452 118.700 -0.232 0.000 2.305 556 N HA 0.037 4.777 4.740 -0.000 0.000 0.248 556 N C -0.128 175.229 175.510 -0.256 0.000 1.290 556 N CA 0.138 53.045 53.050 -0.237 0.000 0.873 556 N CB 1.729 40.078 38.487 -0.231 0.000 1.261 556 N HN 0.177 nan 8.380 nan 0.000 0.504 557 T N -3.522 110.858 114.554 -0.290 0.000 2.731 557 T HA 0.339 4.688 4.350 -0.000 0.000 0.300 557 T C -0.306 174.150 174.700 -0.407 0.000 1.283 557 T CA -0.450 61.468 62.100 -0.303 0.000 1.005 557 T CB 1.545 70.308 68.868 -0.174 0.000 1.420 557 T HN 0.035 nan 8.240 nan 0.000 0.503 558 H N -0.544 118.462 119.070 -0.107 0.000 2.487 558 H HA 0.500 5.056 4.556 -0.000 0.000 0.290 558 H C -0.088 175.180 175.328 -0.099 0.000 1.081 558 H CA -0.399 55.582 56.048 -0.112 0.000 1.116 558 H CB -0.205 29.459 29.762 -0.163 0.000 1.560 558 H HN 0.343 nan 8.280 nan 0.000 0.548 559 I N 1.173 121.734 120.570 -0.016 0.000 2.395 559 I HA 0.048 4.218 4.170 -0.000 0.000 0.289 559 I C 1.102 177.243 176.117 0.040 0.000 1.023 559 I CA 0.067 61.371 61.300 0.007 0.000 1.350 559 I CB 1.536 39.545 38.000 0.015 0.000 1.409 559 I HN 0.263 nan 8.210 nan 0.000 0.507 560 T N 0.769 115.371 114.554 0.081 0.000 3.003 560 T HA 0.254 4.604 4.350 -0.000 0.000 0.261 560 T C 0.470 175.251 174.700 0.134 0.000 1.003 560 T CA -0.293 61.855 62.100 0.081 0.000 0.917 560 T CB 0.236 69.143 68.868 0.065 0.000 1.084 560 T HN 0.295 nan 8.240 nan 0.000 0.522 561 K N 2.485 123.027 120.400 0.238 0.000 2.323 561 K HA 0.688 5.008 4.320 -0.000 0.000 0.259 561 K C -0.710 176.184 176.600 0.491 0.000 0.947 561 K CA -0.610 55.890 56.287 0.356 0.000 0.819 561 K CB 2.497 35.273 32.500 0.460 0.000 1.109 561 K HN 0.311 nan 8.250 nan 0.000 0.429 562 V N -0.138 119.953 119.914 0.295 0.000 3.087 562 V HA 0.626 4.746 4.120 -0.000 0.000 0.306 562 V C -3.009 172.891 176.094 -0.322 0.000 1.187 562 V CA -2.568 59.767 62.300 0.058 0.000 0.999 562 V CB 2.270 34.097 31.823 0.007 0.000 1.049 562 V HN 0.405 nan 8.190 nan 0.000 0.431 563 P HA 0.427 nan 4.420 nan 0.000 0.276 563 P C 0.335 177.409 177.300 -0.377 0.000 1.244 563 P CA -0.414 62.315 63.100 -0.617 0.000 0.801 563 P CB 0.900 32.187 31.700 -0.689 0.000 1.006 564 L N 0.767 121.748 121.223 -0.403 0.000 2.072 564 L HA -0.033 4.306 4.340 -0.000 0.000 0.205 564 L C 0.977 177.528 176.870 -0.532 0.000 1.079 564 L CA 1.824 56.367 54.840 -0.494 0.000 0.752 564 L CB -1.397 40.261 42.059 -0.669 0.000 0.906 564 L HN 0.420 nan 8.230 nan 0.000 0.436 565 H N -0.701 118.284 119.070 -0.142 0.000 2.690 565 H HA 0.416 4.971 4.556 -0.000 0.000 0.280 565 H C 0.790 176.028 175.328 -0.150 0.000 1.138 565 H CA 0.080 56.064 56.048 -0.107 0.000 1.241 565 H CB 0.844 30.569 29.762 -0.062 0.000 1.394 565 H HN 0.037 nan 8.280 nan 0.000 0.489 566 A N 2.443 125.174 122.820 -0.148 0.000 2.235 566 A HA 0.013 4.333 4.320 -0.000 0.000 0.208 566 A C 0.969 178.364 177.584 -0.315 0.000 1.172 566 A CA 0.369 52.252 52.037 -0.257 0.000 0.786 566 A CB -0.423 18.404 19.000 -0.289 0.000 0.804 566 A HN 0.373 nan 8.150 nan 0.000 0.479 567 F N 0.194 120.162 119.950 0.030 0.000 2.530 567 F HA 0.104 4.631 4.527 -0.000 0.000 0.292 567 F C 1.547 177.349 175.800 0.004 0.000 1.109 567 F CA 0.291 58.321 58.000 0.051 0.000 1.450 567 F CB -0.099 38.955 39.000 0.091 0.000 1.114 567 F HN 0.397 nan 8.300 nan 0.000 0.560 568 Q N 0.986 120.863 119.800 0.128 0.000 2.260 568 Q HA 0.618 4.957 4.340 -0.000 0.000 0.238 568 Q C -0.152 175.875 176.000 0.044 0.000 0.948 568 Q CA -0.834 54.995 55.803 0.042 0.000 0.895 568 Q CB 1.327 30.071 28.738 0.010 0.000 1.218 568 Q HN 0.095 nan 8.270 nan 0.000 0.470 569 A N 2.776 125.620 122.820 0.040 0.000 2.526 569 A HA 0.112 4.431 4.320 -0.000 0.000 0.267 569 A C -0.834 176.784 177.584 0.056 0.000 1.095 569 A CA -0.155 51.920 52.037 0.062 0.000 0.775 569 A CB -0.882 18.155 19.000 0.062 0.000 1.036 569 A HN 0.775 nan 8.150 nan 0.000 0.510 570 N N 2.417 121.157 118.700 0.066 0.000 2.362 570 N HA 0.368 5.108 4.740 -0.000 0.000 0.298 570 N C -0.935 174.695 175.510 0.202 0.000 1.048 570 N CA -0.724 52.358 53.050 0.052 0.000 0.858 570 N CB 1.323 39.725 38.487 -0.141 0.000 1.218 570 N HN 0.679 nan 8.380 nan 0.000 0.488 571 N N 1.157 119.984 118.700 0.213 0.000 2.405 571 N HA 0.148 4.887 4.740 -0.000 0.000 0.299 571 N C -1.338 174.364 175.510 0.321 0.000 1.075 571 N CA -0.369 52.830 53.050 0.248 0.000 0.884 571 N CB 1.640 40.228 38.487 0.169 0.000 1.194 571 N HN 0.517 nan 8.380 nan 0.000 0.491 572 Y N 2.723 123.048 120.300 0.042 0.000 2.308 572 Y HA 0.347 4.896 4.550 -0.000 0.000 0.329 572 Y C -1.447 174.403 175.900 -0.084 0.000 1.111 572 Y CA -1.281 56.664 58.100 -0.259 0.000 1.179 572 Y CB 1.145 39.119 38.460 -0.810 0.000 1.201 572 Y HN 0.469 nan 8.280 nan 0.000 0.483 573 P HA 0.090 nan 4.420 nan 0.000 0.274 573 P C 0.493 177.614 177.300 -0.297 0.000 1.352 573 P CA 0.412 62.818 63.100 -1.158 0.000 0.947 573 P CB 0.181 31.049 31.700 -1.388 0.000 1.437 574 H N 1.652 120.625 119.070 -0.161 0.000 2.353 574 H HA -0.086 4.470 4.556 -0.000 0.000 0.300 574 H C 0.765 176.087 175.328 -0.010 0.000 1.090 574 H CA 1.927 57.936 56.048 -0.065 0.000 1.327 574 H CB -0.259 29.483 29.762 -0.032 0.000 1.383 574 H HN -0.079 nan 8.280 nan 0.000 0.508 575 D N -0.554 119.770 120.400 -0.127 0.000 2.328 575 D HA 0.034 4.674 4.640 -0.000 0.000 0.221 575 D C -0.595 175.550 176.300 -0.258 0.000 1.072 575 D CA 0.115 53.963 54.000 -0.253 0.000 0.850 575 D CB -0.169 40.538 40.800 -0.154 0.000 0.922 575 D HN 0.199 nan 8.370 nan 0.000 0.516 576 F N 0.907 120.714 119.950 -0.239 0.000 2.436 576 F HA 0.292 4.819 4.527 -0.000 0.000 0.340 576 F C 0.661 176.375 175.800 -0.144 0.000 1.113 576 F CA -1.255 56.644 58.000 -0.169 0.000 1.022 576 F CB 1.495 40.408 39.000 -0.145 0.000 1.128 576 F HN -0.296 nan 8.300 nan 0.000 0.466 577 V N -0.733 119.183 119.914 0.004 0.000 3.166 577 V HA 0.615 4.735 4.120 -0.000 0.000 0.317 577 V C -0.857 175.263 176.094 0.043 0.000 1.136 577 V CA -0.990 61.306 62.300 -0.008 0.000 1.035 577 V CB 1.834 33.614 31.823 -0.071 0.000 1.110 577 V HN 0.634 nan 8.190 nan 0.000 0.450 578 D N 0.090 120.505 120.400 0.026 0.000 2.302 578 D HA 0.263 4.902 4.640 -0.000 0.000 0.248 578 D C 0.940 177.245 176.300 0.009 0.000 1.094 578 D CA 0.124 54.145 54.000 0.036 0.000 0.897 578 D CB 1.462 42.276 40.800 0.024 0.000 1.200 578 D HN 0.702 nan 8.370 nan 0.000 0.429 579 c N 1.668 120.276 118.600 0.014 0.000 2.403 579 c HA -0.118 4.451 4.570 -0.000 0.000 0.282 579 c C 2.411 176.485 174.090 -0.027 0.000 1.297 579 c CA 0.818 57.138 56.329 -0.015 0.000 1.785 579 c CB -1.057 41.442 42.510 -0.018 0.000 1.963 579 c HN 0.658 nan 8.230 nan 0.000 0.507 580 S N 0.380 116.070 115.700 -0.017 0.000 2.555 580 S HA 0.064 4.534 4.470 -0.000 0.000 0.230 580 S C 1.636 176.222 174.600 -0.025 0.000 0.978 580 S CA 0.853 59.041 58.200 -0.020 0.000 0.934 580 S CB -0.133 63.060 63.200 -0.012 0.000 0.766 580 S HN 0.760 nan 8.310 nan 0.000 0.533 581 A N 0.644 123.446 122.820 -0.029 0.000 2.348 581 A HA 0.435 4.755 4.320 -0.000 0.000 0.224 581 A C 0.473 178.026 177.584 -0.051 0.000 1.227 581 A CA -0.149 51.866 52.037 -0.037 0.000 0.885 581 A CB 0.303 19.280 19.000 -0.038 0.000 0.933 581 A HN 0.244 nan 8.150 nan 0.000 0.506 582 V N 1.755 121.636 119.914 -0.055 0.000 2.394 582 V HA 0.202 4.321 4.120 -0.000 0.000 0.282 582 V C -0.699 175.361 176.094 -0.055 0.000 1.031 582 V CA -1.102 61.158 62.300 -0.067 0.000 0.881 582 V CB 1.181 32.956 31.823 -0.080 0.000 0.982 582 V HN 0.313 nan 8.190 nan 0.000 0.451 583 D N 3.845 124.215 120.400 -0.049 0.000 2.506 583 D HA 0.111 4.751 4.640 -0.000 0.000 0.234 583 D C 0.231 176.504 176.300 -0.044 0.000 1.143 583 D CA 0.723 54.701 54.000 -0.036 0.000 0.871 583 D CB 0.547 41.333 40.800 -0.024 0.000 1.190 583 D HN 0.459 nan 8.370 nan 0.000 0.459 584 K N 0.802 121.179 120.400 -0.039 0.000 2.139 584 K HA 0.447 4.767 4.320 -0.000 0.000 0.243 584 K C -0.437 176.138 176.600 -0.041 0.000 0.983 584 K CA -1.191 55.066 56.287 -0.051 0.000 0.890 584 K CB 1.465 33.935 32.500 -0.050 0.000 1.090 584 K HN 0.220 nan 8.250 nan 0.000 0.445 585 L N 2.250 123.435 121.223 -0.063 0.000 2.295 585 L HA 0.122 4.461 4.340 -0.000 0.000 0.288 585 L C -0.564 176.285 176.870 -0.034 0.000 1.079 585 L CA -0.043 54.764 54.840 -0.055 0.000 0.830 585 L CB 0.204 42.194 42.059 -0.116 0.000 1.200 585 L HN 0.400 nan 8.230 nan 0.000 0.438 586 D N 4.659 125.075 120.400 0.026 0.000 2.338 586 D HA 0.065 4.705 4.640 -0.000 0.000 0.255 586 D C 0.628 177.012 176.300 0.141 0.000 1.237 586 D CA 0.255 54.291 54.000 0.059 0.000 0.883 586 D CB 0.677 41.520 40.800 0.070 0.000 1.087 586 D HN 0.645 nan 8.370 nan 0.000 0.485 587 L N 3.087 124.361 121.223 0.085 0.000 2.629 587 L HA -0.005 4.335 4.340 -0.000 0.000 0.230 587 L C 2.091 179.136 176.870 0.293 0.000 1.151 587 L CA -0.026 54.910 54.840 0.160 0.000 0.924 587 L CB -0.205 41.798 42.059 -0.093 0.000 1.137 587 L HN 0.378 nan 8.230 nan 0.000 0.457 588 S N 0.058 115.882 115.700 0.206 0.000 2.383 588 S HA -0.036 4.434 4.470 -0.000 0.000 0.227 588 S C -0.523 174.174 174.600 0.162 0.000 1.026 588 S CA 0.485 58.771 58.200 0.142 0.000 0.981 588 S CB -1.352 61.896 63.200 0.079 0.000 0.818 588 S HN 0.225 nan 8.310 nan 0.000 0.472 589 P HA -0.014 nan 4.420 nan 0.000 0.231 589 P C 0.510 177.780 177.300 -0.051 0.000 1.158 589 P CA 0.731 63.832 63.100 0.001 0.000 0.763 589 P CB -0.239 31.377 31.700 -0.140 0.000 0.805 590 W N -0.498 120.842 121.300 0.067 0.000 3.316 590 W HA 0.413 5.073 4.660 -0.000 0.000 0.327 590 W C 0.332 176.866 176.519 0.025 0.000 1.232 590 W CA -0.477 56.936 57.345 0.113 0.000 1.805 590 W CB 0.061 29.600 29.460 0.131 0.000 1.090 590 W HN -0.132 nan 8.180 nan 0.000 0.654 591 A N 1.063 123.967 122.820 0.139 0.000 2.409 591 A HA 0.325 4.645 4.320 -0.000 0.000 0.267 591 A C 0.135 177.749 177.584 0.051 0.000 1.127 591 A CA 0.250 52.295 52.037 0.014 0.000 0.795 591 A CB 0.595 19.602 19.000 0.012 0.000 1.061 591 A HN -0.048 nan 8.150 nan 0.000 0.502 592 S N 2.640 118.364 115.700 0.040 0.000 2.601 592 S HA 0.344 4.813 4.470 -0.000 0.000 0.312 592 S C -0.020 174.680 174.600 0.166 0.000 1.107 592 S CA -0.692 57.611 58.200 0.172 0.000 1.129 592 S CB -0.087 63.342 63.200 0.381 0.000 0.982 592 S HN 0.692 nan 8.310 nan 0.000 0.469 593 R N 3.243 123.800 120.500 0.095 0.000 2.347 593 R HA 0.145 4.485 4.340 -0.000 0.000 0.304 593 R C 1.283 177.609 176.300 0.043 0.000 1.072 593 R CA -0.459 55.669 56.100 0.045 0.000 0.980 593 R CB 0.589 30.904 30.300 0.025 0.000 0.986 593 R HN 0.659 nan 8.270 nan 0.000 0.448 594 E N 3.031 123.221 120.200 -0.017 0.000 2.015 594 E HA -0.164 4.185 4.350 -0.000 0.000 0.191 594 E C 0.230 176.827 176.600 -0.005 0.000 0.991 594 E CA 0.568 56.956 56.400 -0.019 0.000 0.802 594 E CB -0.553 29.091 29.700 -0.093 0.000 0.759 594 E HN 0.495 nan 8.360 nan 0.000 0.447 595 N N 0.000 118.689 118.700 -0.019 0.000 1.763 595 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 595 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 595 N CB 0.000 38.481 38.487 -0.009 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667