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 3niu_1_B DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVTcDEQSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcVQGDEcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NVKPSPcEFI NTTAHVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE MLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKNSKLMNQN KMVTSELRNK LFQPTHKVHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKVLAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW ASREN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.658 174.600 0.097 0.000 1.055 1 S CA 0.000 58.249 58.200 0.081 0.000 1.107 1 S CB 0.000 63.217 63.200 0.028 0.000 0.593 2 W N 2.242 123.559 121.300 0.029 0.000 1.779 2 W HA 0.389 5.049 4.660 0.000 0.000 0.409 2 W C 0.834 177.372 176.519 0.031 0.000 1.812 2 W CA -0.600 56.762 57.345 0.029 0.000 1.994 2 W CB 0.046 29.525 29.460 0.032 0.000 1.415 2 W HN 0.287 nan 8.180 nan 0.000 0.745 3 E N 0.356 120.751 120.200 0.325 0.000 2.480 3 E HA 0.038 4.388 4.350 0.000 0.000 0.258 3 E C 0.360 177.045 176.600 0.143 0.000 0.984 3 E CA 0.020 56.530 56.400 0.183 0.000 0.930 3 E CB 0.577 30.375 29.700 0.163 0.000 0.936 3 E HN 0.188 nan 8.360 nan 0.000 0.466 4 V N 2.489 122.467 119.914 0.106 0.000 3.645 4 V HA 0.118 4.238 4.120 0.000 0.000 0.275 4 V C 1.282 177.417 176.094 0.068 0.000 1.356 4 V CA 0.890 63.244 62.300 0.090 0.000 1.051 4 V CB 1.073 32.945 31.823 0.083 0.000 0.828 4 V HN 0.826 nan 8.190 nan 0.000 0.441 5 G N -1.465 107.371 108.800 0.060 0.000 3.324 5 G HA2 0.014 3.974 3.960 0.000 0.000 0.251 5 G HA3 0.014 3.974 3.960 0.000 0.000 0.251 5 G C 0.368 175.290 174.900 0.036 0.000 1.072 5 G CA 0.048 45.176 45.100 0.047 0.000 0.787 5 G HN 0.370 nan 8.290 nan 0.000 0.537 6 c N 1.788 120.411 118.600 0.037 0.000 2.651 6 c HA 0.631 5.201 4.570 0.000 0.000 0.410 6 c C 1.073 175.161 174.090 -0.003 0.000 1.372 6 c CA 0.786 57.125 56.329 0.017 0.000 1.707 6 c CB -0.997 41.524 42.510 0.018 0.000 2.501 6 c HN 0.500 nan 8.230 nan 0.000 0.598 7 G N 3.387 112.178 108.800 -0.016 0.000 2.667 7 G HA2 0.691 4.651 3.960 0.000 0.000 0.294 7 G HA3 0.691 4.651 3.960 0.000 0.000 0.294 7 G C -1.379 173.499 174.900 -0.037 0.000 1.467 7 G CA 0.221 45.306 45.100 -0.025 0.000 0.852 7 G HN 1.341 nan 8.290 nan 0.000 0.521 8 A N 1.843 124.633 122.820 -0.050 0.000 3.082 8 A HA 0.819 5.140 4.320 0.000 0.000 0.328 8 A C -2.084 175.476 177.584 -0.040 0.000 1.089 8 A CA -0.838 51.168 52.037 -0.052 0.000 0.802 8 A CB 0.823 19.772 19.000 -0.085 0.000 1.138 8 A HN 0.620 nan 8.150 nan 0.000 0.474 9 P HA 0.542 nan 4.420 nan 0.000 0.352 9 P C -0.484 176.817 177.300 0.002 0.000 1.163 9 P CA -0.470 62.627 63.100 -0.005 0.000 0.775 9 P CB 0.778 32.483 31.700 0.009 0.000 1.524 10 V N 2.140 122.063 119.914 0.014 0.000 2.135 10 V HA 0.108 4.228 4.120 0.000 0.000 0.287 10 V C -1.212 174.896 176.094 0.023 0.000 1.607 10 V CA -0.712 61.599 62.300 0.018 0.000 1.585 10 V CB -0.352 31.487 31.823 0.027 0.000 1.470 10 V HN 0.532 nan 8.190 nan 0.000 0.513 11 P HA -0.139 nan 4.420 nan 0.000 0.217 11 P C 0.820 178.135 177.300 0.024 0.000 1.150 11 P CA 1.036 64.150 63.100 0.022 0.000 0.832 11 P CB 0.308 32.018 31.700 0.016 0.000 0.787 12 L N 1.299 122.534 121.223 0.020 0.000 2.437 12 L HA 0.148 4.488 4.340 0.000 0.000 0.243 12 L C 0.134 177.017 176.870 0.023 0.000 1.346 12 L CA -0.541 54.311 54.840 0.020 0.000 1.233 12 L CB -0.501 41.567 42.059 0.015 0.000 1.436 12 L HN -0.142 nan 8.230 nan 0.000 0.416 13 V N -1.512 118.419 119.914 0.028 0.000 2.525 13 V HA 0.653 4.774 4.120 0.000 0.000 0.299 13 V C 0.108 176.222 176.094 0.035 0.000 1.034 13 V CA -0.494 61.825 62.300 0.032 0.000 0.863 13 V CB 1.448 33.294 31.823 0.038 0.000 0.999 13 V HN 0.373 nan 8.190 nan 0.000 0.423 14 T N 1.228 115.801 114.554 0.032 0.000 2.859 14 T HA 0.603 4.954 4.350 0.000 0.000 0.281 14 T C 0.035 174.757 174.700 0.036 0.000 1.005 14 T CA -0.530 61.589 62.100 0.032 0.000 1.025 14 T CB 1.242 70.125 68.868 0.026 0.000 0.977 14 T HN 0.892 nan 8.240 nan 0.000 0.458 15 c N 2.692 121.315 118.600 0.039 0.000 2.452 15 c HA 0.311 4.881 4.570 0.000 0.000 0.379 15 c C 1.922 176.033 174.090 0.035 0.000 1.275 15 c CA -0.451 55.903 56.329 0.043 0.000 2.056 15 c CB 0.163 42.703 42.510 0.050 0.000 2.506 15 c HN 1.057 nan 8.230 nan 0.000 0.560 16 D N 0.620 121.041 120.400 0.035 0.000 2.149 16 D HA -0.089 4.551 4.640 0.000 0.000 0.201 16 D C 1.297 177.609 176.300 0.021 0.000 0.972 16 D CA 1.200 55.215 54.000 0.026 0.000 0.835 16 D CB 0.186 41.001 40.800 0.025 0.000 0.966 16 D HN 0.846 nan 8.370 nan 0.000 0.476 17 E N -1.736 118.481 120.200 0.029 0.000 4.067 17 E HA -0.226 4.125 4.350 0.000 0.000 0.346 17 E C 0.829 177.430 176.600 0.002 0.000 0.613 17 E CA 1.120 57.531 56.400 0.019 0.000 1.252 17 E CB -0.853 28.856 29.700 0.014 0.000 1.731 17 E HN 0.294 nan 8.360 nan 0.000 0.406 18 Q N -0.321 119.478 119.800 -0.002 0.000 2.164 18 Q HA 0.204 4.544 4.340 0.000 0.000 0.226 18 Q C 0.155 176.130 176.000 -0.041 0.000 0.813 18 Q CA 0.210 55.998 55.803 -0.025 0.000 0.978 18 Q CB 1.468 30.191 28.738 -0.026 0.000 1.149 18 Q HN 0.078 nan 8.270 nan 0.000 0.489 19 S N 2.881 118.572 115.700 -0.016 0.000 2.531 19 S HA 0.189 4.659 4.470 0.000 0.000 0.279 19 S C -1.642 172.925 174.600 -0.055 0.000 1.305 19 S CA -0.969 57.199 58.200 -0.052 0.000 1.058 19 S CB 0.745 63.946 63.200 0.001 0.000 0.899 19 S HN -0.006 nan 8.310 nan 0.000 0.493 20 P HA 0.166 nan 4.420 nan 0.000 0.249 20 P C -0.884 176.251 177.300 -0.275 0.000 1.229 20 P CA 0.386 63.319 63.100 -0.279 0.000 0.788 20 P CB -0.057 31.313 31.700 -0.549 0.000 1.072 21 Y N -0.245 119.978 120.300 -0.128 0.000 2.420 21 Y HA 0.436 4.986 4.550 0.000 0.000 0.334 21 Y C 1.316 176.785 175.900 -0.718 0.000 1.094 21 Y CA -1.480 56.394 58.100 -0.377 0.000 1.126 21 Y CB 1.411 39.725 38.460 -0.242 0.000 1.217 21 Y HN -0.409 nan 8.280 nan 0.000 0.462 22 R N 0.763 120.822 120.500 -0.734 0.000 2.694 22 R HA 0.153 4.493 4.340 0.000 0.000 0.268 22 R C 0.027 176.151 176.300 -0.293 0.000 1.061 22 R CA -0.133 55.535 56.100 -0.720 0.000 1.133 22 R CB 0.390 30.381 30.300 -0.515 0.000 1.020 22 R HN 0.726 nan 8.270 nan 0.000 0.475 23 T N -0.887 113.556 114.554 -0.185 0.000 2.882 23 T HA 0.171 4.522 4.350 0.000 0.000 0.287 23 T C 1.632 176.320 174.700 -0.020 0.000 1.014 23 T CA -0.946 61.119 62.100 -0.058 0.000 1.049 23 T CB 0.756 69.623 68.868 -0.003 0.000 1.001 23 T HN 0.283 nan 8.240 nan 0.000 0.525 24 I N 1.991 122.573 120.570 0.020 0.000 2.226 24 I HA -0.129 4.041 4.170 0.000 0.000 0.245 24 I C 2.850 179.018 176.117 0.086 0.000 1.100 24 I CA 1.933 63.269 61.300 0.060 0.000 1.374 24 I CB -1.777 36.267 38.000 0.073 0.000 1.057 24 I HN 0.950 nan 8.210 nan 0.000 0.413 25 T N -1.774 112.829 114.554 0.081 0.000 3.085 25 T HA 0.164 4.514 4.350 0.000 0.000 0.263 25 T C 1.621 176.407 174.700 0.143 0.000 1.127 25 T CA 0.801 62.960 62.100 0.099 0.000 1.103 25 T CB -0.061 68.855 68.868 0.080 0.000 0.921 25 T HN 0.512 nan 8.240 nan 0.000 0.510 26 G N 1.122 110.012 108.800 0.150 0.000 2.176 26 G HA2 -0.215 3.745 3.960 0.000 0.000 0.253 26 G HA3 -0.215 3.745 3.960 0.000 0.000 0.253 26 G C -0.153 174.892 174.900 0.242 0.000 0.979 26 G CA 0.038 45.287 45.100 0.249 0.000 0.641 26 G HN 0.575 nan 8.290 nan 0.000 0.530 27 D N -0.760 119.734 120.400 0.156 0.000 2.354 27 D HA 0.292 4.932 4.640 0.000 0.000 0.238 27 D C 1.608 177.980 176.300 0.120 0.000 1.250 27 D CA 1.002 55.085 54.000 0.139 0.000 0.911 27 D CB 0.680 41.539 40.800 0.098 0.000 1.163 27 D HN 0.698 nan 8.370 nan 0.000 0.456 28 c N 0.454 119.128 118.600 0.123 0.000 4.320 28 c HA -0.173 4.398 4.570 0.000 0.000 0.281 28 c C 1.961 176.131 174.090 0.134 0.000 1.432 28 c CA 0.204 56.601 56.329 0.113 0.000 1.884 28 c CB -2.601 39.964 42.510 0.091 0.000 1.378 28 c HN 0.722 nan 8.230 nan 0.000 0.771 29 N N 1.667 120.448 118.700 0.135 0.000 2.083 29 N HA -0.090 4.651 4.740 0.000 0.000 0.190 29 N C 0.545 176.120 175.510 0.109 0.000 1.047 29 N CA 1.186 54.289 53.050 0.089 0.000 0.845 29 N CB -0.161 38.245 38.487 -0.135 0.000 1.025 29 N HN 0.771 nan 8.380 nan 0.000 0.428 30 N N 1.191 120.017 118.700 0.210 0.000 2.497 30 N HA 0.020 4.760 4.740 0.000 0.000 0.271 30 N C 0.845 176.448 175.510 0.156 0.000 1.142 30 N CA 0.019 53.206 53.050 0.228 0.000 0.965 30 N CB 0.855 39.492 38.487 0.250 0.000 1.077 30 N HN 0.228 nan 8.380 nan 0.000 0.462 31 R N 2.928 123.509 120.500 0.136 0.000 2.075 31 R HA 0.045 4.385 4.340 0.000 0.000 0.226 31 R C 1.833 178.181 176.300 0.081 0.000 1.114 31 R CA 0.878 57.033 56.100 0.093 0.000 0.972 31 R CB 0.137 30.482 30.300 0.074 0.000 0.869 31 R HN 0.575 nan 8.270 nan 0.000 0.437 32 R N -0.238 120.311 120.500 0.082 0.000 2.073 32 R HA 0.023 4.363 4.340 0.000 0.000 0.229 32 R C 0.850 177.193 176.300 0.071 0.000 1.120 32 R CA 0.867 57.006 56.100 0.066 0.000 0.967 32 R CB 0.005 30.338 30.300 0.055 0.000 0.862 32 R HN -0.089 nan 8.270 nan 0.000 0.436 33 S N 0.453 116.207 115.700 0.090 0.000 2.426 33 S HA 0.272 4.743 4.470 0.000 0.000 0.236 33 S C -2.152 172.518 174.600 0.116 0.000 1.368 33 S CA -1.856 56.400 58.200 0.094 0.000 1.154 33 S CB 1.168 64.423 63.200 0.092 0.000 1.037 33 S HN -0.085 nan 8.310 nan 0.000 0.481 34 P HA 0.003 nan 4.420 nan 0.000 0.220 34 P C 1.164 178.544 177.300 0.134 0.000 1.148 34 P CA 0.725 63.895 63.100 0.117 0.000 0.803 34 P CB 0.159 31.913 31.700 0.090 0.000 0.782 35 A N -1.146 121.744 122.820 0.116 0.000 2.119 35 A HA -0.025 4.295 4.320 0.000 0.000 0.217 35 A C 0.995 178.660 177.584 0.135 0.000 1.153 35 A CA 0.229 52.334 52.037 0.113 0.000 0.692 35 A CB -1.209 17.841 19.000 0.083 0.000 0.799 35 A HN 0.112 nan 8.150 nan 0.000 0.458 36 L N 0.609 121.926 121.223 0.156 0.000 2.597 36 L HA 0.402 4.742 4.340 0.000 0.000 0.271 36 L C 1.396 178.394 176.870 0.213 0.000 1.157 36 L CA 1.489 56.426 54.840 0.161 0.000 0.928 36 L CB -0.105 42.058 42.059 0.174 0.000 1.216 36 L HN 0.617 nan 8.230 nan 0.000 0.481 37 G N 2.734 111.572 108.800 0.064 0.000 2.195 37 G HA2 -0.209 3.751 3.960 0.000 0.000 0.246 37 G HA3 -0.209 3.751 3.960 0.000 0.000 0.246 37 G C 0.501 175.427 174.900 0.043 0.000 0.984 37 G CA 0.112 45.115 45.100 -0.161 0.000 0.633 37 G HN 1.066 nan 8.290 nan 0.000 0.525 38 A N 0.352 123.273 122.820 0.169 0.000 2.366 38 A HA 0.850 5.170 4.320 0.000 0.000 0.249 38 A C 1.042 178.687 177.584 0.101 0.000 1.084 38 A CA 1.072 53.214 52.037 0.175 0.000 0.794 38 A CB 0.401 19.493 19.000 0.154 0.000 1.034 38 A HN 2.085 nan 8.150 nan 0.000 0.491 39 A N 0.854 123.737 122.820 0.104 0.000 2.313 39 A HA 0.484 4.804 4.320 0.000 0.000 0.261 39 A C 0.888 178.501 177.584 0.049 0.000 1.090 39 A CA 0.122 52.205 52.037 0.076 0.000 0.807 39 A CB -0.173 18.881 19.000 0.090 0.000 1.055 39 A HN 1.216 nan 8.150 nan 0.000 0.492 40 N N -1.017 117.700 118.700 0.029 0.000 2.782 40 N HA -0.127 4.613 4.740 0.000 0.000 0.251 40 N C -0.195 175.310 175.510 -0.008 0.000 1.101 40 N CA 1.160 54.211 53.050 0.001 0.000 0.764 40 N CB -0.626 37.861 38.487 0.001 0.000 1.122 40 N HN 0.658 nan 8.380 nan 0.000 0.561 41 R N 0.355 120.857 120.500 0.003 0.000 2.810 41 R HA 0.726 5.066 4.340 0.000 0.000 0.245 41 R C 0.485 176.781 176.300 -0.007 0.000 1.168 41 R CA -0.390 55.712 56.100 0.003 0.000 1.096 41 R CB 0.031 30.344 30.300 0.023 0.000 1.259 41 R HN 0.119 nan 8.270 nan 0.000 0.518 42 A N 1.073 123.894 122.820 0.000 0.000 2.425 42 A HA 0.288 4.608 4.320 0.000 0.000 0.249 42 A C 0.287 177.875 177.584 0.008 0.000 1.084 42 A CA -0.358 51.680 52.037 0.002 0.000 0.781 42 A CB -0.111 18.897 19.000 0.013 0.000 1.019 42 A HN 0.529 nan 8.150 nan 0.000 0.490 43 L N 1.688 122.914 121.223 0.004 0.000 2.490 43 L HA 0.226 4.566 4.340 0.000 0.000 0.274 43 L C 1.192 178.074 176.870 0.020 0.000 1.201 43 L CA -0.121 54.721 54.840 0.005 0.000 0.869 43 L CB 0.396 42.465 42.059 0.017 0.000 1.123 43 L HN 0.868 nan 8.230 nan 0.000 0.484 44 A N 5.301 128.128 122.820 0.012 0.000 2.386 44 A HA 0.426 4.746 4.320 0.000 0.000 0.246 44 A C -0.000 177.623 177.584 0.065 0.000 1.089 44 A CA -0.262 51.814 52.037 0.066 0.000 0.790 44 A CB 0.309 19.382 19.000 0.122 0.000 1.042 44 A HN 0.681 nan 8.150 nan 0.000 0.497 45 R N 0.678 121.276 120.500 0.163 0.000 2.422 45 R HA 0.129 4.469 4.340 0.000 0.000 0.307 45 R C -0.588 175.932 176.300 0.367 0.000 1.004 45 R CA -0.359 55.858 56.100 0.195 0.000 0.882 45 R CB 0.802 31.194 30.300 0.153 0.000 1.164 45 R HN 0.944 nan 8.270 nan 0.000 0.489 46 W N 2.007 123.383 121.300 0.127 0.000 2.584 46 W HA 0.156 4.816 4.660 0.001 0.000 0.264 46 W C 0.503 177.044 176.519 0.037 0.000 1.264 46 W CA 0.322 57.731 57.345 0.107 0.000 1.306 46 W CB 0.044 29.511 29.460 0.012 0.000 1.110 46 W HN 0.264 nan 8.180 nan 0.000 0.606 47 L N -0.407 120.943 121.223 0.211 0.000 2.376 47 L HA 0.370 4.711 4.340 0.000 0.000 0.258 47 L C -2.193 174.692 176.870 0.025 0.000 1.013 47 L CA -2.164 52.664 54.840 -0.019 0.000 0.822 47 L CB 2.005 43.792 42.059 -0.454 0.000 1.388 47 L HN -0.514 nan 8.230 nan 0.000 0.413 48 P HA 0.129 nan 4.420 nan 0.000 0.268 48 P C -0.736 176.563 177.300 -0.002 0.000 1.205 48 P CA -0.250 62.864 63.100 0.024 0.000 0.771 48 P CB 0.636 32.351 31.700 0.026 0.000 0.858 49 A N 2.816 125.645 122.820 0.015 0.000 2.498 49 A HA 0.105 4.425 4.320 0.000 0.000 0.239 49 A C 0.124 177.660 177.584 -0.081 0.000 1.068 49 A CA 0.004 52.009 52.037 -0.054 0.000 0.766 49 A CB -0.187 18.804 19.000 -0.015 0.000 1.003 49 A HN 0.564 nan 8.150 nan 0.000 0.497 50 E N 1.208 121.304 120.200 -0.173 0.000 2.149 50 E HA 0.412 4.762 4.350 0.000 0.000 0.255 50 E C -1.625 174.879 176.600 -0.160 0.000 0.888 50 E CA -0.004 56.384 56.400 -0.021 0.000 0.742 50 E CB 0.959 30.736 29.700 0.128 0.000 1.164 50 E HN 0.648 nan 8.360 nan 0.000 0.422 51 Y N 0.458 120.712 120.300 -0.076 0.000 2.602 51 Y HA 0.133 4.684 4.550 0.000 0.000 0.330 51 Y C 1.621 177.066 175.900 -0.759 0.000 1.114 51 Y CA -0.787 57.093 58.100 -0.367 0.000 1.182 51 Y CB 1.103 39.389 38.460 -0.289 0.000 1.305 51 Y HN 0.441 nan 8.280 nan 0.000 0.502 52 E N 0.357 120.097 120.200 -0.767 0.000 2.077 52 E HA -0.200 4.151 4.350 0.000 0.000 0.193 52 E C 0.292 176.692 176.600 -0.333 0.000 0.989 52 E CA 1.691 57.612 56.400 -0.798 0.000 0.800 52 E CB 0.082 29.486 29.700 -0.492 0.000 0.746 52 E HN 0.774 nan 8.360 nan 0.000 0.452 53 D N -1.815 118.437 120.400 -0.246 0.000 2.463 53 D HA 0.106 4.746 4.640 0.000 0.000 0.224 53 D C 0.973 177.214 176.300 -0.099 0.000 1.174 53 D CA 0.455 54.363 54.000 -0.153 0.000 0.829 53 D CB 0.300 40.992 40.800 -0.178 0.000 0.993 53 D HN 0.260 nan 8.370 nan 0.000 0.497 54 G N 0.404 109.170 108.800 -0.058 0.000 2.186 54 G HA2 -0.337 3.623 3.960 0.000 0.000 0.266 54 G HA3 -0.337 3.623 3.960 0.000 0.000 0.266 54 G C 0.627 175.524 174.900 -0.005 0.000 0.982 54 G CA 1.059 46.168 45.100 0.014 0.000 0.670 54 G HN 0.472 nan 8.290 nan 0.000 0.533 55 L N -2.676 118.475 121.223 -0.119 0.000 2.738 55 L HA 0.628 4.969 4.340 0.000 0.000 0.175 55 L C 2.286 178.764 176.870 -0.654 0.000 1.125 55 L CA 1.069 55.740 54.840 -0.280 0.000 0.857 55 L CB -0.028 41.861 42.059 -0.283 0.000 1.300 55 L HN 0.420 nan 8.230 nan 0.000 0.499 56 A N -1.290 120.988 122.820 -0.904 0.000 2.574 56 A HA 0.301 4.621 4.320 0.000 0.000 0.170 56 A C 0.069 176.958 177.584 -1.159 0.000 1.617 56 A CA -0.055 51.153 52.037 -1.380 0.000 1.189 56 A CB 0.429 18.904 19.000 -0.875 0.000 1.496 56 A HN -0.019 nan 8.150 nan 0.000 0.505 57 V N 3.215 122.679 119.914 -0.750 0.000 2.488 57 V HA 0.284 4.404 4.120 0.000 0.000 0.277 57 V C -2.431 173.473 176.094 -0.317 0.000 1.046 57 V CA -1.391 60.512 62.300 -0.662 0.000 0.986 57 V CB 0.768 32.198 31.823 -0.656 0.000 0.989 57 V HN 0.238 nan 8.190 nan 0.000 0.475 58 P HA 0.201 nan 4.420 nan 0.000 0.274 58 P C -0.444 176.871 177.300 0.024 0.000 1.231 58 P CA -0.370 62.725 63.100 -0.008 0.000 0.790 58 P CB 0.385 31.991 31.700 -0.157 0.000 0.951 59 F N 0.911 120.963 119.950 0.169 0.000 2.529 59 F HA 0.325 4.852 4.527 0.000 0.000 0.365 59 F C 1.941 177.903 175.800 0.270 0.000 1.102 59 F CA 1.822 59.933 58.000 0.184 0.000 1.271 59 F CB -0.003 39.081 39.000 0.140 0.000 1.120 59 F HN 0.661 nan 8.300 nan 0.000 0.579 60 G N 2.539 111.617 108.800 0.464 0.000 2.213 60 G HA2 -0.294 3.667 3.960 0.000 0.000 0.236 60 G HA3 -0.294 3.667 3.960 0.000 0.000 0.236 60 G C 1.011 176.154 174.900 0.404 0.000 0.991 60 G CA 0.188 45.513 45.100 0.375 0.000 0.629 60 G HN 0.776 nan 8.290 nan 0.000 0.517 61 W N 1.808 123.243 121.300 0.224 0.000 2.380 61 W HA 0.101 4.761 4.660 0.000 0.000 0.317 61 W C 0.281 176.861 176.519 0.103 0.000 1.196 61 W CA 2.032 59.472 57.345 0.158 0.000 1.307 61 W CB -0.392 29.026 29.460 -0.070 0.000 1.157 61 W HN 0.212 nan 8.180 nan 0.000 0.483 62 T N 1.960 116.744 114.554 0.383 0.000 2.767 62 T HA 0.153 4.503 4.350 0.000 0.000 0.284 62 T C 0.664 175.461 174.700 0.160 0.000 0.973 62 T CA -0.389 61.854 62.100 0.237 0.000 0.996 62 T CB 2.018 71.027 68.868 0.236 0.000 0.927 62 T HN -0.080 nan 8.240 nan 0.000 0.456 63 Q N 2.121 121.980 119.800 0.099 0.000 2.020 63 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 63 Q C 2.512 178.563 176.000 0.086 0.000 0.982 63 Q CA 1.488 57.339 55.803 0.079 0.000 0.838 63 Q CB -0.172 28.591 28.738 0.042 0.000 0.899 63 Q HN 0.678 nan 8.270 nan 0.000 0.423 64 R N 0.329 120.874 120.500 0.076 0.000 2.193 64 R HA -0.018 4.322 4.340 0.000 0.000 0.229 64 R C 0.033 176.382 176.300 0.081 0.000 1.110 64 R CA 0.752 56.892 56.100 0.066 0.000 0.988 64 R CB -0.179 30.152 30.300 0.052 0.000 0.871 64 R HN -0.092 nan 8.270 nan 0.000 0.458 65 K N 2.798 123.264 120.400 0.110 0.000 2.322 65 K HA 0.073 4.393 4.320 0.000 0.000 0.283 65 K C 0.059 176.764 176.600 0.176 0.000 1.042 65 K CA 0.231 56.599 56.287 0.136 0.000 0.958 65 K CB 1.612 34.201 32.500 0.148 0.000 0.984 65 K HN 0.300 nan 8.250 nan 0.000 0.473 66 T N -0.023 114.627 114.554 0.159 0.000 2.936 66 T HA 0.442 4.792 4.350 0.000 0.000 0.282 66 T C 0.037 174.851 174.700 0.191 0.000 1.003 66 T CA -0.991 61.195 62.100 0.144 0.000 1.005 66 T CB 1.834 70.728 68.868 0.043 0.000 1.097 66 T HN 0.505 nan 8.240 nan 0.000 0.532 67 R N 1.129 121.672 120.500 0.071 0.000 2.288 67 R HA 0.289 4.630 4.340 0.000 0.000 0.326 67 R C -0.306 175.970 176.300 -0.039 0.000 0.959 67 R CA -0.414 55.596 56.100 -0.149 0.000 0.834 67 R CB 0.035 30.026 30.300 -0.516 0.000 1.157 67 R HN 0.828 nan 8.270 nan 0.000 0.470 68 N N 3.126 121.805 118.700 -0.035 0.000 2.725 68 N HA -0.214 4.526 4.740 0.000 0.000 0.249 68 N C 0.460 175.896 175.510 -0.122 0.000 1.103 68 N CA 1.598 54.642 53.050 -0.011 0.000 0.707 68 N CB -1.018 37.501 38.487 0.053 0.000 1.043 68 N HN 1.079 nan 8.380 nan 0.000 0.553 69 G N -2.127 106.539 108.800 -0.222 0.000 2.157 69 G HA2 -0.268 3.693 3.960 0.000 0.000 0.239 69 G HA3 -0.268 3.693 3.960 0.000 0.000 0.239 69 G C -0.161 174.250 174.900 -0.815 0.000 0.982 69 G CA 0.264 45.043 45.100 -0.535 0.000 0.650 69 G HN 0.402 nan 8.290 nan 0.000 0.527 70 F N -0.141 119.824 119.950 0.025 0.000 2.599 70 F HA 0.662 5.189 4.527 0.000 0.000 0.311 70 F C 0.719 176.540 175.800 0.035 0.000 1.076 70 F CA -1.286 56.731 58.000 0.028 0.000 0.937 70 F CB 1.250 40.266 39.000 0.027 0.000 1.282 70 F HN -0.091 nan 8.300 nan 0.000 0.460 71 R N 1.227 121.866 120.500 0.231 0.000 2.590 71 R HA 0.409 4.750 4.340 0.000 0.000 0.274 71 R C -0.712 175.665 176.300 0.129 0.000 1.061 71 R CA -0.536 55.654 56.100 0.150 0.000 1.081 71 R CB 0.725 31.088 30.300 0.105 0.000 0.984 71 R HN 0.517 nan 8.270 nan 0.000 0.448 72 V N 1.210 121.195 119.914 0.119 0.000 2.583 72 V HA 0.316 4.437 4.120 0.000 0.000 0.287 72 V C -1.968 174.128 176.094 0.003 0.000 1.051 72 V CA -2.104 60.249 62.300 0.089 0.000 1.010 72 V CB 0.529 32.443 31.823 0.152 0.000 0.988 72 V HN 0.641 nan 8.190 nan 0.000 0.478 73 P HA 0.382 nan 4.420 nan 0.000 0.275 73 P C -0.244 176.987 177.300 -0.115 0.000 1.228 73 P CA -0.583 62.410 63.100 -0.179 0.000 0.786 73 P CB 0.500 31.964 31.700 -0.394 0.000 0.927 74 L N 1.377 122.546 121.223 -0.090 0.000 2.559 74 L HA -0.035 4.305 4.340 0.000 0.000 0.282 74 L C 1.873 178.690 176.870 -0.089 0.000 1.232 74 L CA -0.016 54.772 54.840 -0.087 0.000 0.885 74 L CB -0.104 41.909 42.059 -0.077 0.000 1.131 74 L HN 0.494 nan 8.230 nan 0.000 0.498 75 A N 3.572 126.331 122.820 -0.101 0.000 1.940 75 A HA -0.220 4.100 4.320 0.000 0.000 0.219 75 A C 2.299 179.861 177.584 -0.037 0.000 1.176 75 A CA 1.869 53.863 52.037 -0.071 0.000 0.631 75 A CB -0.394 18.520 19.000 -0.144 0.000 0.814 75 A HN 0.872 nan 8.150 nan 0.000 0.446 76 R N -0.007 120.464 120.500 -0.048 0.000 2.148 76 R HA -0.051 4.289 4.340 0.000 0.000 0.223 76 R C 1.976 178.290 176.300 0.023 0.000 1.088 76 R CA 1.722 57.831 56.100 0.015 0.000 0.985 76 R CB -0.364 29.978 30.300 0.070 0.000 0.880 76 R HN 0.677 nan 8.270 nan 0.000 0.451 77 E N -0.491 119.704 120.200 -0.008 0.000 2.107 77 E HA -0.100 4.250 4.350 0.000 0.000 0.191 77 E C 1.648 178.237 176.600 -0.019 0.000 0.982 77 E CA 1.189 57.578 56.400 -0.018 0.000 0.809 77 E CB 0.220 29.894 29.700 -0.043 0.000 0.756 77 E HN 0.220 nan 8.360 nan 0.000 0.459 78 V N 0.708 120.605 119.914 -0.029 0.000 2.332 78 V HA -0.259 3.861 4.120 0.000 0.000 0.248 78 V C 2.462 178.602 176.094 0.076 0.000 1.055 78 V CA 1.914 64.217 62.300 0.006 0.000 1.038 78 V CB -0.676 31.168 31.823 0.036 0.000 0.651 78 V HN 0.251 nan 8.190 nan 0.000 0.450 79 S N 0.483 116.238 115.700 0.091 0.000 2.368 79 S HA -0.222 4.248 4.470 0.000 0.000 0.225 79 S C 1.916 176.569 174.600 0.088 0.000 1.030 79 S CA 1.894 60.166 58.200 0.120 0.000 0.999 79 S CB -0.462 62.802 63.200 0.106 0.000 0.844 79 S HN 0.658 nan 8.310 nan 0.000 0.459 80 N N 0.954 119.684 118.700 0.050 0.000 2.244 80 N HA 0.009 4.749 4.740 0.000 0.000 0.183 80 N C 1.600 177.130 175.510 0.033 0.000 1.016 80 N CA 1.014 54.082 53.050 0.029 0.000 0.866 80 N CB -0.139 38.350 38.487 0.003 0.000 0.980 80 N HN 0.534 nan 8.380 nan 0.000 0.430 81 K N -0.684 119.735 120.400 0.033 0.000 2.313 81 K HA 0.232 4.552 4.320 0.000 0.000 0.197 81 K C 1.242 177.868 176.600 0.044 0.000 1.061 81 K CA 0.230 56.533 56.287 0.027 0.000 0.980 81 K CB 0.726 33.229 32.500 0.005 0.000 0.888 81 K HN 0.014 nan 8.250 nan 0.000 0.502 82 I N 0.288 120.896 120.570 0.062 0.000 2.947 82 I HA -0.064 4.106 4.170 0.000 0.000 0.263 82 I C 2.084 178.256 176.117 0.092 0.000 1.130 82 I CA 0.884 62.224 61.300 0.068 0.000 1.448 82 I CB -0.553 37.492 38.000 0.077 0.000 1.222 82 I HN -0.180 nan 8.210 nan 0.000 0.453 83 V N 1.087 121.080 119.914 0.131 0.000 2.725 83 V HA 0.169 4.289 4.120 0.000 0.000 0.247 83 V C 1.530 177.756 176.094 0.221 0.000 1.058 83 V CA 0.749 63.157 62.300 0.181 0.000 1.080 83 V CB -1.075 30.903 31.823 0.258 0.000 0.713 83 V HN 0.374 nan 8.190 nan 0.000 0.465 84 G N -0.229 108.678 108.800 0.178 0.000 2.606 84 G HA2 0.438 4.398 3.960 0.000 0.000 0.252 84 G HA3 0.438 4.398 3.960 0.000 0.000 0.252 84 G C -0.822 174.245 174.900 0.277 0.000 1.206 84 G CA 0.188 45.391 45.100 0.171 0.000 0.861 84 G HN 0.581 nan 8.290 nan 0.000 0.561 85 Y N -1.829 118.503 120.300 0.053 0.000 2.741 85 Y HA 0.561 5.111 4.550 0.001 0.000 0.339 85 Y C -0.579 175.346 175.900 0.041 0.000 1.226 85 Y CA -1.172 56.954 58.100 0.044 0.000 1.072 85 Y CB 0.880 39.369 38.460 0.048 0.000 1.331 85 Y HN 0.301 nan 8.280 nan 0.000 0.453 86 L N 0.558 121.839 121.223 0.098 0.000 2.547 86 L HA 0.290 4.630 4.340 0.000 0.000 0.218 86 L C -0.054 176.863 176.870 0.079 0.000 1.048 86 L CA 0.674 55.516 54.840 0.002 0.000 0.859 86 L CB 0.196 42.272 42.059 0.029 0.000 1.128 86 L HN 0.738 nan 8.230 nan 0.000 0.483 87 D N 0.343 120.880 120.400 0.228 0.000 2.316 87 D HA 0.075 4.715 4.640 0.000 0.000 0.245 87 D C 0.536 177.027 176.300 0.318 0.000 1.171 87 D CA 0.164 54.287 54.000 0.206 0.000 0.856 87 D CB 1.062 41.950 40.800 0.146 0.000 1.090 87 D HN 0.068 nan 8.370 nan 0.000 0.476 88 E N 2.318 122.663 120.200 0.241 0.000 2.476 88 E HA 0.001 4.351 4.350 0.000 0.000 0.191 88 E C -0.129 176.568 176.600 0.161 0.000 1.064 88 E CA 0.114 56.675 56.400 0.269 0.000 0.866 88 E CB 0.435 30.253 29.700 0.196 0.000 0.952 88 E HN 0.497 nan 8.360 nan 0.000 0.492 89 E N 0.280 120.553 120.200 0.121 0.000 2.194 89 E HA 0.249 4.599 4.350 0.000 0.000 0.284 89 E C 0.841 177.476 176.600 0.059 0.000 1.035 89 E CA -0.091 56.357 56.400 0.080 0.000 0.836 89 E CB 1.247 30.987 29.700 0.066 0.000 1.070 89 E HN 0.306 nan 8.360 nan 0.000 0.401 90 G N 2.274 111.104 108.800 0.051 0.000 2.176 90 G HA2 -0.344 3.617 3.960 0.000 0.000 0.253 90 G HA3 -0.344 3.617 3.960 0.000 0.000 0.253 90 G C 0.952 175.866 174.900 0.024 0.000 0.979 90 G CA 0.464 45.584 45.100 0.034 0.000 0.641 90 G HN 0.526 nan 8.290 nan 0.000 0.530 91 V N -1.075 118.859 119.914 0.032 0.000 2.871 91 V HA 0.407 4.527 4.120 0.000 0.000 0.256 91 V C 1.582 177.705 176.094 0.047 0.000 1.082 91 V CA 0.849 63.157 62.300 0.013 0.000 1.105 91 V CB -0.361 31.471 31.823 0.014 0.000 0.713 91 V HN 0.421 nan 8.190 nan 0.000 0.473 92 L N 2.187 123.450 121.223 0.066 0.000 2.410 92 L HA 0.266 4.606 4.340 0.000 0.000 0.273 92 L C 0.395 177.305 176.870 0.067 0.000 1.152 92 L CA 0.043 54.931 54.840 0.079 0.000 0.855 92 L CB 0.174 42.283 42.059 0.083 0.000 1.129 92 L HN 0.224 nan 8.230 nan 0.000 0.463 93 D N 2.785 123.233 120.400 0.080 0.000 2.417 93 D HA -0.043 4.598 4.640 0.000 0.000 0.250 93 D C 0.692 177.020 176.300 0.046 0.000 1.166 93 D CA 0.066 54.103 54.000 0.062 0.000 0.881 93 D CB 1.225 42.073 40.800 0.081 0.000 1.164 93 D HN 0.435 nan 8.370 nan 0.000 0.467 94 Q N 2.552 122.368 119.800 0.027 0.000 2.432 94 Q HA -0.046 4.295 4.340 0.000 0.000 0.205 94 Q C 0.575 176.582 176.000 0.011 0.000 0.945 94 Q CA 0.521 56.339 55.803 0.024 0.000 0.924 94 Q CB 0.191 28.940 28.738 0.019 0.000 1.016 94 Q HN 0.392 nan 8.270 nan 0.000 0.503 95 N N 0.190 118.883 118.700 -0.012 0.000 2.305 95 N HA 0.092 4.832 4.740 0.000 0.000 0.248 95 N C -1.097 174.369 175.510 -0.073 0.000 1.290 95 N CA 0.034 53.061 53.050 -0.038 0.000 0.873 95 N CB 0.542 38.996 38.487 -0.056 0.000 1.261 95 N HN -0.174 nan 8.380 nan 0.000 0.504 96 R N -0.180 120.292 120.500 -0.046 0.000 2.621 96 R HA 0.479 4.819 4.340 0.000 0.000 0.284 96 R C -0.461 175.883 176.300 0.073 0.000 0.998 96 R CA -0.589 55.478 56.100 -0.055 0.000 0.895 96 R CB 1.265 31.476 30.300 -0.148 0.000 1.195 96 R HN 0.177 nan 8.270 nan 0.000 0.450 97 S N 1.565 117.332 115.700 0.112 0.000 2.707 97 S HA 0.248 4.719 4.470 0.000 0.000 0.276 97 S C 0.890 175.594 174.600 0.174 0.000 1.179 97 S CA -0.708 57.564 58.200 0.120 0.000 0.992 97 S CB 0.708 63.947 63.200 0.065 0.000 1.030 97 S HN 0.487 nan 8.310 nan 0.000 0.554 98 L N 0.185 121.486 121.223 0.130 0.000 2.275 98 L HA 0.110 4.450 4.340 0.000 0.000 0.215 98 L C 1.986 178.913 176.870 0.094 0.000 1.119 98 L CA 1.220 56.135 54.840 0.124 0.000 0.790 98 L CB -1.017 41.098 42.059 0.095 0.000 0.919 98 L HN 0.808 nan 8.230 nan 0.000 0.443 99 L N -1.704 119.532 121.223 0.022 0.000 2.201 99 L HA -0.160 4.180 4.340 0.000 0.000 0.212 99 L C 2.160 179.046 176.870 0.027 0.000 1.105 99 L CA 1.463 56.227 54.840 -0.128 0.000 0.775 99 L CB -0.775 41.020 42.059 -0.441 0.000 0.913 99 L HN 0.327 nan 8.230 nan 0.000 0.440 100 F N -0.557 119.449 119.950 0.093 0.000 2.146 100 F HA -0.221 4.306 4.527 0.000 0.000 0.298 100 F C 2.385 178.416 175.800 0.385 0.000 1.096 100 F CA 1.955 60.194 58.000 0.399 0.000 1.275 100 F CB -0.311 38.904 39.000 0.358 0.000 1.008 100 F HN 0.179 nan 8.300 nan 0.000 0.480 101 M N 0.294 119.986 119.600 0.154 0.000 2.086 101 M HA -0.232 4.248 4.480 0.000 0.000 0.261 101 M C 2.237 178.512 176.300 -0.042 0.000 1.067 101 M CA 2.041 57.346 55.300 0.008 0.000 1.116 101 M CB -0.893 31.759 32.600 0.088 0.000 1.348 101 M HN 0.350 nan 8.290 nan 0.000 0.407 102 Q N -0.034 119.768 119.800 0.003 0.000 2.096 102 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 102 Q C 1.906 177.858 176.000 -0.080 0.000 0.982 102 Q CA 2.367 58.144 55.803 -0.045 0.000 0.850 102 Q CB -0.895 27.834 28.738 -0.015 0.000 0.901 102 Q HN 0.719 nan 8.270 nan 0.000 0.422 103 W N 0.123 121.296 121.300 -0.210 0.000 2.402 103 W HA -0.046 4.614 4.660 0.001 0.000 0.286 103 W C 1.610 177.857 176.519 -0.453 0.000 1.221 103 W CA 1.300 58.484 57.345 -0.269 0.000 1.257 103 W CB -0.338 29.074 29.460 -0.080 0.000 1.120 103 W HN 0.354 nan 8.180 nan 0.000 0.551 104 G N 0.450 109.030 108.800 -0.366 0.000 2.440 104 G HA2 -0.375 3.585 3.960 0.000 0.000 0.218 104 G HA3 -0.375 3.585 3.960 0.000 0.000 0.218 104 G C 1.407 175.936 174.900 -0.618 0.000 1.154 104 G CA 1.174 46.038 45.100 -0.394 0.000 0.767 104 G HN 0.391 nan 8.290 nan 0.000 0.552 105 Q N -0.546 118.928 119.800 -0.544 0.000 2.172 105 Q HA 0.003 4.343 4.340 0.000 0.000 0.200 105 Q C 2.531 178.134 176.000 -0.661 0.000 0.964 105 Q CA 0.476 55.908 55.803 -0.620 0.000 0.855 105 Q CB -0.072 28.354 28.738 -0.521 0.000 0.918 105 Q HN 0.405 nan 8.270 nan 0.000 0.444 106 I N 0.075 120.268 120.570 -0.628 0.000 2.202 106 I HA -0.212 3.959 4.170 0.000 0.000 0.242 106 I C 2.267 178.058 176.117 -0.543 0.000 1.091 106 I CA 0.889 61.806 61.300 -0.638 0.000 1.368 106 I CB -0.919 36.578 38.000 -0.838 0.000 1.058 106 I HN 0.118 nan 8.210 nan 0.000 0.410 107 V N 1.192 120.734 119.914 -0.620 0.000 2.295 107 V HA -0.284 3.836 4.120 0.000 0.000 0.246 107 V C 2.460 178.576 176.094 0.037 0.000 1.049 107 V CA 2.163 64.347 62.300 -0.193 0.000 1.024 107 V CB -0.694 31.145 31.823 0.027 0.000 0.648 107 V HN 0.472 nan 8.190 nan 0.000 0.447 108 D N -0.605 119.623 120.400 -0.287 0.000 2.117 108 D HA -0.246 4.394 4.640 0.000 0.000 0.197 108 D C 1.967 178.265 176.300 -0.003 0.000 0.987 108 D CA 1.707 55.495 54.000 -0.355 0.000 0.829 108 D CB -0.207 39.994 40.800 -0.999 0.000 0.961 108 D HN 0.655 nan 8.370 nan 0.000 0.460 109 H N -0.462 118.485 119.070 -0.205 0.000 2.457 109 H HA -0.091 4.465 4.556 0.000 0.000 0.294 109 H C 1.691 176.991 175.328 -0.047 0.000 1.064 109 H CA 0.844 56.814 56.048 -0.129 0.000 1.330 109 H CB 0.344 30.016 29.762 -0.149 0.000 1.395 109 H HN 0.222 nan 8.280 nan 0.000 0.541 110 D N 0.605 121.063 120.400 0.097 0.000 2.224 110 D HA -0.082 4.558 4.640 0.000 0.000 0.205 110 D C 2.032 178.426 176.300 0.156 0.000 0.965 110 D CA 0.564 54.632 54.000 0.112 0.000 0.852 110 D CB 0.324 41.190 40.800 0.110 0.000 0.947 110 D HN 0.367 nan 8.370 nan 0.000 0.494 111 L N -0.008 121.326 121.223 0.185 0.000 2.286 111 L HA 0.119 4.460 4.340 0.000 0.000 0.203 111 L C 0.322 177.282 176.870 0.150 0.000 1.068 111 L CA 0.423 55.375 54.840 0.188 0.000 0.811 111 L CB 0.096 42.319 42.059 0.274 0.000 0.989 111 L HN -0.035 nan 8.230 nan 0.000 0.467 112 D N -1.120 119.379 120.400 0.164 0.000 2.879 112 D HA 0.363 5.003 4.640 0.000 0.000 0.236 112 D C -1.433 174.968 176.300 0.168 0.000 1.171 112 D CA -0.328 53.755 54.000 0.138 0.000 0.868 112 D CB 2.975 43.859 40.800 0.140 0.000 1.598 112 D HN -0.184 nan 8.370 nan 0.000 0.497 113 F N 1.226 121.149 119.950 -0.046 0.000 2.787 113 F HA 0.548 5.075 4.527 0.000 0.000 0.340 113 F C -1.712 174.060 175.800 -0.046 0.000 1.232 113 F CA -0.925 57.027 58.000 -0.080 0.000 1.051 113 F CB 1.697 40.634 39.000 -0.104 0.000 1.330 113 F HN 0.582 nan 8.300 nan 0.000 0.522 114 A N 7.479 130.071 122.820 -0.380 0.000 2.322 114 A HA 0.744 5.064 4.320 0.000 0.000 0.327 114 A C -2.761 174.432 177.584 -0.651 0.000 1.394 114 A CA -1.524 50.271 52.037 -0.403 0.000 0.921 114 A CB -0.136 18.838 19.000 -0.042 0.000 1.153 114 A HN 0.474 nan 8.150 nan 0.000 0.523 115 P HA 0.130 nan 4.420 nan 0.000 0.271 115 P C 0.200 177.315 177.300 -0.308 0.000 1.218 115 P CA -0.171 62.511 63.100 -0.697 0.000 0.780 115 P CB 0.710 32.068 31.700 -0.570 0.000 0.901 116 E N 1.456 121.530 120.200 -0.210 0.000 2.330 116 E HA -0.007 4.343 4.350 0.000 0.000 0.210 116 E C 0.168 176.713 176.600 -0.092 0.000 1.256 116 E CA -0.016 56.308 56.400 -0.126 0.000 1.346 116 E CB -0.389 29.237 29.700 -0.124 0.000 1.308 116 E HN 0.472 nan 8.360 nan 0.000 0.441 117 T N 0.618 115.115 114.554 -0.095 0.000 0.560 117 T HA -0.360 3.990 4.350 0.000 0.000 0.774 117 T C 0.033 174.671 174.700 -0.104 0.000 0.992 117 T CA 1.554 63.616 62.100 -0.062 0.000 4.074 117 T CB -0.405 68.490 68.868 0.045 0.000 2.302 117 T HN 0.788 nan 8.240 nan 0.000 0.398 118 E N -0.966 119.186 120.200 -0.080 0.000 8.959 118 E HA -0.190 4.160 4.350 0.000 0.000 0.409 118 E C -0.709 175.796 176.600 -0.158 0.000 1.446 118 E CA 0.458 56.732 56.400 -0.209 0.000 2.542 118 E CB -1.017 28.418 29.700 -0.441 0.000 1.118 118 E HN 1.423 nan 8.360 nan 0.000 0.379 119 L N -0.858 120.252 121.223 -0.190 0.000 3.010 119 L HA -0.235 4.106 4.340 0.000 0.000 0.571 119 L C 1.161 177.986 176.870 -0.076 0.000 1.001 119 L CA 1.104 55.867 54.840 -0.128 0.000 1.301 119 L CB -0.749 41.234 42.059 -0.127 0.000 1.494 119 L HN 0.823 nan 8.230 nan 0.000 0.722 120 G N 1.752 110.520 108.800 -0.053 0.000 2.608 120 G HA2 0.248 4.209 3.960 0.000 0.000 0.210 120 G HA3 0.248 4.209 3.960 0.000 0.000 0.210 120 G C 0.638 175.516 174.900 -0.035 0.000 1.139 120 G CA 0.882 45.965 45.100 -0.028 0.000 0.812 120 G HN 1.371 nan 8.290 nan 0.000 0.529 121 S N -1.067 114.605 115.700 -0.046 0.000 3.893 121 S HA 0.136 4.607 4.470 0.000 0.000 0.715 121 S C -0.233 174.349 174.600 -0.029 0.000 0.531 121 S CA 0.918 59.092 58.200 -0.044 0.000 1.402 121 S CB -1.783 61.393 63.200 -0.039 0.000 0.776 121 S HN 2.265 nan 8.310 nan 0.000 0.969 122 S N 1.299 116.982 115.700 -0.028 0.000 3.488 122 S HA 0.081 4.552 4.470 0.000 0.000 0.820 122 S C -1.020 173.585 174.600 0.009 0.000 0.493 122 S CA 0.445 58.639 58.200 -0.010 0.000 1.476 122 S CB -0.814 62.382 63.200 -0.007 0.000 0.932 122 S HN 0.963 nan 8.310 nan 0.000 1.058 123 E N 2.457 122.671 120.200 0.023 0.000 2.369 123 E HA 0.513 4.863 4.350 0.000 0.000 0.270 123 E C 0.059 176.744 176.600 0.141 0.000 0.909 123 E CA -0.660 55.778 56.400 0.063 0.000 0.775 123 E CB 1.645 31.361 29.700 0.025 0.000 1.270 123 E HN 0.747 nan 8.360 nan 0.000 0.445 124 H N -0.497 118.595 119.070 0.037 0.000 3.233 124 H HA 0.234 4.790 4.556 0.000 0.000 0.263 124 H C 1.115 176.496 175.328 0.089 0.000 1.168 124 H CA 0.434 56.518 56.048 0.060 0.000 1.159 124 H CB 0.814 30.605 29.762 0.049 0.000 1.593 124 H HN 0.310 nan 8.280 nan 0.000 0.580 125 S N -0.468 115.310 115.700 0.129 0.000 2.501 125 S HA 0.043 4.513 4.470 0.000 0.000 0.220 125 S C 1.682 176.389 174.600 0.179 0.000 0.997 125 S CA 0.431 58.708 58.200 0.128 0.000 0.919 125 S CB 0.090 63.375 63.200 0.143 0.000 0.778 125 S HN 0.383 nan 8.310 nan 0.000 0.523 126 K N 0.603 121.097 120.400 0.157 0.000 2.148 126 K HA -0.006 4.314 4.320 0.000 0.000 0.204 126 K C 1.844 178.553 176.600 0.182 0.000 1.050 126 K CA 1.271 57.693 56.287 0.225 0.000 0.942 126 K CB -0.139 32.400 32.500 0.065 0.000 0.724 126 K HN 0.221 nan 8.250 nan 0.000 0.446 127 V N 1.137 121.089 119.914 0.063 0.000 2.307 127 V HA -0.261 3.859 4.120 0.000 0.000 0.245 127 V C 2.363 178.512 176.094 0.092 0.000 1.045 127 V CA 1.777 64.083 62.300 0.009 0.000 1.024 127 V CB -0.453 31.271 31.823 -0.165 0.000 0.651 127 V HN 0.336 nan 8.190 nan 0.000 0.449 128 Q N -1.167 118.706 119.800 0.122 0.000 2.224 128 Q HA -0.203 4.138 4.340 0.000 0.000 0.203 128 Q C 2.257 178.333 176.000 0.128 0.000 0.970 128 Q CA 2.035 57.963 55.803 0.209 0.000 0.865 128 Q CB -0.370 28.422 28.738 0.090 0.000 0.922 128 Q HN 0.681 nan 8.270 nan 0.000 0.445 129 c N 0.015 118.669 118.600 0.091 0.000 2.489 129 c HA -0.075 4.495 4.570 0.000 0.000 0.279 129 c C 2.549 176.620 174.090 -0.033 0.000 1.266 129 c CA 1.307 57.630 56.329 -0.010 0.000 1.707 129 c CB -0.586 41.875 42.510 -0.081 0.000 2.059 129 c HN 0.760 nan 8.230 nan 0.000 0.481 130 E N 0.140 120.362 120.200 0.038 0.000 2.051 130 E HA -0.152 4.198 4.350 0.000 0.000 0.189 130 E C 2.027 178.558 176.600 -0.114 0.000 0.979 130 E CA 1.409 57.801 56.400 -0.014 0.000 0.803 130 E CB -0.199 29.555 29.700 0.090 0.000 0.761 130 E HN 0.662 nan 8.360 nan 0.000 0.451 131 E N -1.067 119.027 120.200 -0.175 0.000 2.075 131 E HA -0.072 4.279 4.350 0.000 0.000 0.190 131 E C 1.365 177.673 176.600 -0.487 0.000 0.969 131 E CA 0.714 56.867 56.400 -0.412 0.000 0.815 131 E CB 0.136 29.430 29.700 -0.677 0.000 0.776 131 E HN 0.399 nan 8.360 nan 0.000 0.457 132 Y N -1.177 119.087 120.300 -0.060 0.000 2.449 132 Y HA 0.172 4.722 4.550 0.000 0.000 0.254 132 Y C 0.789 176.640 175.900 -0.081 0.000 1.140 132 Y CA -0.436 57.627 58.100 -0.061 0.000 1.272 132 Y CB 0.189 38.618 38.460 -0.052 0.000 1.114 132 Y HN 0.009 nan 8.280 nan 0.000 0.525 133 c N 1.024 119.621 118.600 -0.005 0.000 4.365 133 c HA -0.144 4.426 4.570 0.000 0.000 0.299 133 c C 0.374 174.418 174.090 -0.077 0.000 1.409 133 c CA -0.675 55.603 56.329 -0.085 0.000 2.007 133 c CB -3.051 39.377 42.510 -0.136 0.000 1.264 133 c HN 0.140 nan 8.230 nan 0.000 0.777 134 V N 1.572 121.468 119.914 -0.030 0.000 2.385 134 V HA 0.231 4.351 4.120 0.000 0.000 0.269 134 V C 0.625 176.668 176.094 -0.086 0.000 1.043 134 V CA 0.306 62.578 62.300 -0.047 0.000 0.906 134 V CB 1.403 33.221 31.823 -0.007 0.000 0.995 134 V HN 0.593 nan 8.190 nan 0.000 0.467 135 Q N 2.637 122.340 119.800 -0.161 0.000 2.395 135 Q HA 0.492 4.832 4.340 0.000 0.000 0.271 135 Q C 0.277 176.197 176.000 -0.132 0.000 1.026 135 Q CA 0.748 56.392 55.803 -0.265 0.000 0.900 135 Q CB 1.035 29.457 28.738 -0.527 0.000 1.266 135 Q HN 1.074 nan 8.270 nan 0.000 0.430 136 G N 2.738 111.540 108.800 0.003 0.000 2.282 136 G HA2 0.099 4.059 3.960 0.000 0.000 0.274 136 G HA3 0.099 4.059 3.960 0.000 0.000 0.274 136 G C -1.096 174.000 174.900 0.327 0.000 1.718 136 G CA -0.291 44.960 45.100 0.251 0.000 0.927 136 G HN 0.785 nan 8.290 nan 0.000 0.733 137 D N 0.015 120.628 120.400 0.354 0.000 3.608 137 D HA -0.193 4.448 4.640 0.000 0.000 0.152 137 D C 1.123 177.606 176.300 0.305 0.000 0.971 137 D CA 1.560 55.699 54.000 0.230 0.000 1.072 137 D CB -0.342 40.562 40.800 0.174 0.000 0.507 137 D HN 0.535 nan 8.370 nan 0.000 0.520 138 E N -0.173 120.186 120.200 0.266 0.000 2.502 138 E HA 0.074 4.424 4.350 0.000 0.000 0.194 138 E C 0.599 177.394 176.600 0.325 0.000 1.062 138 E CA 0.065 56.645 56.400 0.301 0.000 0.867 138 E CB -0.402 29.473 29.700 0.291 0.000 0.888 138 E HN 0.330 nan 8.360 nan 0.000 0.510 139 c N 1.684 120.428 118.600 0.242 0.000 2.349 139 c HA 0.321 4.891 4.570 0.000 0.000 0.348 139 c C -0.379 173.810 174.090 0.165 0.000 1.223 139 c CA -0.603 55.736 56.329 0.016 0.000 1.746 139 c CB -1.575 40.903 42.510 -0.054 0.000 2.360 139 c HN 0.148 nan 8.230 nan 0.000 0.533 140 F N 9.581 129.549 119.950 0.029 0.000 2.550 140 F HA 0.488 5.015 4.527 0.000 0.000 0.348 140 F C -2.461 173.334 175.800 -0.008 0.000 1.219 140 F CA -3.246 54.796 58.000 0.071 0.000 1.203 140 F CB 0.566 39.804 39.000 0.397 0.000 1.436 140 F HN 0.443 nan 8.300 nan 0.000 0.541 141 P HA 0.251 nan 4.420 nan 0.000 0.274 141 P C -0.304 176.704 177.300 -0.487 0.000 1.231 141 P CA -0.019 62.898 63.100 -0.305 0.000 0.790 141 P CB 1.148 32.681 31.700 -0.279 0.000 0.951 142 I N 2.702 123.002 120.570 -0.450 0.000 2.269 142 I HA 0.169 4.339 4.170 0.000 0.000 0.293 142 I C 0.573 176.383 176.117 -0.511 0.000 1.106 142 I CA -0.301 60.709 61.300 -0.484 0.000 1.248 142 I CB -0.075 37.690 38.000 -0.392 0.000 1.444 142 I HN 0.089 nan 8.210 nan 0.000 0.497 143 M N 5.547 124.898 119.600 -0.416 0.000 2.233 143 M HA 0.295 4.775 4.480 0.000 0.000 0.350 143 M C -0.203 175.942 176.300 -0.259 0.000 1.176 143 M CA 0.049 55.128 55.300 -0.368 0.000 1.150 143 M CB 0.033 32.494 32.600 -0.232 0.000 1.530 143 M HN 0.274 nan 8.290 nan 0.000 0.459 144 F N 4.407 124.280 119.950 -0.128 0.000 2.438 144 F HA 0.245 4.773 4.527 0.000 0.000 0.356 144 F C -1.218 174.528 175.800 -0.090 0.000 1.099 144 F CA -1.662 56.272 58.000 -0.109 0.000 1.185 144 F CB 0.583 39.520 39.000 -0.105 0.000 1.115 144 F HN 0.389 nan 8.300 nan 0.000 0.526 145 P HA -0.010 nan 4.420 nan 0.000 0.274 145 P C -0.896 176.418 177.300 0.023 0.000 1.260 145 P CA -0.640 62.483 63.100 0.039 0.000 0.793 145 P CB 0.692 32.401 31.700 0.015 0.000 1.048 146 K N 1.049 121.449 120.400 -0.000 0.000 2.451 146 K HA -0.055 4.265 4.320 0.000 0.000 0.280 146 K C 0.132 176.717 176.600 -0.025 0.000 1.020 146 K CA 0.348 56.629 56.287 -0.011 0.000 1.008 146 K CB -0.841 31.652 32.500 -0.012 0.000 0.917 146 K HN 0.446 nan 8.250 nan 0.000 0.478 147 N N 2.087 120.766 118.700 -0.035 0.000 2.747 147 N HA -0.212 4.529 4.740 0.000 0.000 0.249 147 N C -1.157 174.307 175.510 -0.077 0.000 1.107 147 N CA 0.777 53.797 53.050 -0.050 0.000 0.707 147 N CB -0.521 37.944 38.487 -0.038 0.000 1.054 147 N HN 0.639 nan 8.380 nan 0.000 0.555 148 D N -0.136 120.200 120.400 -0.106 0.000 2.351 148 D HA 0.097 4.737 4.640 0.000 0.000 0.251 148 D C -1.324 174.836 176.300 -0.234 0.000 1.137 148 D CA -1.830 52.057 54.000 -0.187 0.000 0.879 148 D CB 1.164 41.799 40.800 -0.275 0.000 1.181 148 D HN 0.012 nan 8.370 nan 0.000 0.448 149 P HA -0.079 nan 4.420 nan 0.000 0.220 149 P C 0.886 178.023 177.300 -0.272 0.000 1.148 149 P CA 1.006 63.987 63.100 -0.197 0.000 0.803 149 P CB 0.325 31.932 31.700 -0.155 0.000 0.782 150 K N -0.817 119.303 120.400 -0.466 0.000 2.432 150 K HA 0.043 4.363 4.320 0.000 0.000 0.196 150 K C 1.871 178.135 176.600 -0.561 0.000 1.038 150 K CA 0.539 56.458 56.287 -0.614 0.000 0.986 150 K CB -0.436 31.446 32.500 -1.031 0.000 0.782 150 K HN 0.251 nan 8.250 nan 0.000 0.485 151 L N 1.000 121.950 121.223 -0.456 0.000 2.131 151 L HA -0.198 4.143 4.340 0.000 0.000 0.210 151 L C 2.043 178.856 176.870 -0.095 0.000 1.092 151 L CA 1.458 56.199 54.840 -0.164 0.000 0.759 151 L CB -0.143 41.858 42.059 -0.097 0.000 0.903 151 L HN 0.133 nan 8.230 nan 0.000 0.435 152 K N -1.334 118.995 120.400 -0.118 0.000 2.167 152 K HA -0.018 4.303 4.320 0.000 0.000 0.203 152 K C 1.742 178.305 176.600 -0.062 0.000 1.052 152 K CA 1.442 57.684 56.287 -0.075 0.000 0.956 152 K CB 0.107 32.562 32.500 -0.075 0.000 0.735 152 K HN 0.277 nan 8.250 nan 0.000 0.451 153 T N -0.243 114.264 114.554 -0.079 0.000 3.026 153 T HA 0.001 4.352 4.350 0.000 0.000 0.245 153 T C 1.704 176.381 174.700 -0.038 0.000 1.004 153 T CA 0.254 62.322 62.100 -0.055 0.000 1.069 153 T CB 0.326 69.157 68.868 -0.061 0.000 1.005 153 T HN 0.111 nan 8.240 nan 0.000 0.472 154 Q N 0.273 120.046 119.800 -0.046 0.000 2.274 154 Q HA 0.441 4.781 4.340 0.000 0.000 0.198 154 Q C 1.003 177.019 176.000 0.026 0.000 0.955 154 Q CA 0.861 56.658 55.803 -0.009 0.000 0.859 154 Q CB 0.656 29.390 28.738 -0.006 0.000 0.956 154 Q HN 0.515 nan 8.270 nan 0.000 0.516 155 G N -0.776 108.081 108.800 0.095 0.000 2.404 155 G HA2 0.043 4.003 3.960 0.000 0.000 0.253 155 G HA3 0.043 4.003 3.960 0.000 0.000 0.253 155 G C -0.828 174.188 174.900 0.195 0.000 1.253 155 G CA -0.339 44.810 45.100 0.083 0.000 0.917 155 G HN -0.027 nan 8.290 nan 0.000 0.480 156 K N -0.949 119.486 120.400 0.059 0.000 2.348 156 K HA 0.328 4.649 4.320 0.000 0.000 0.194 156 K C 0.493 176.918 176.600 -0.292 0.000 1.052 156 K CA 1.069 57.376 56.287 0.033 0.000 1.004 156 K CB 0.529 33.003 32.500 -0.043 0.000 0.873 156 K HN 0.830 nan 8.250 nan 0.000 0.523 157 c N -1.734 116.526 118.600 -0.566 0.000 3.321 157 c HA 0.587 5.157 4.570 0.000 0.000 0.329 157 c C -1.174 172.413 174.090 -0.839 0.000 1.394 157 c CA -1.337 54.407 56.329 -0.975 0.000 1.291 157 c CB 0.779 42.959 42.510 -0.549 0.000 1.606 157 c HN 0.037 nan 8.230 nan 0.000 0.463 158 M N 3.433 122.553 119.600 -0.800 0.000 2.180 158 M HA 0.441 4.921 4.480 0.000 0.000 0.350 158 M C -2.255 173.876 176.300 -0.282 0.000 1.125 158 M CA -1.469 53.494 55.300 -0.561 0.000 1.031 158 M CB 1.755 34.062 32.600 -0.488 0.000 1.623 158 M HN 0.571 nan 8.290 nan 0.000 0.451 159 P HA 0.101 nan 4.420 nan 0.000 0.268 159 P C -1.295 176.078 177.300 0.121 0.000 1.205 159 P CA 0.250 63.301 63.100 -0.083 0.000 0.771 159 P CB 0.414 32.088 31.700 -0.043 0.000 0.858 160 F N 3.188 122.992 119.950 -0.244 0.000 2.605 160 F HA 0.515 5.042 4.527 0.000 0.000 0.320 160 F C -1.892 173.765 175.800 -0.237 0.000 1.159 160 F CA -0.825 57.115 58.000 -0.099 0.000 0.999 160 F CB 1.131 40.069 39.000 -0.104 0.000 1.258 160 F HN 0.072 nan 8.300 nan 0.000 0.464 161 F N 4.833 124.616 119.950 -0.278 0.000 2.495 161 F HA 0.598 5.125 4.527 0.000 0.000 0.327 161 F C 0.336 176.023 175.800 -0.187 0.000 1.103 161 F CA -0.853 57.098 58.000 -0.082 0.000 0.949 161 F CB 1.733 40.695 39.000 -0.063 0.000 1.142 161 F HN 0.280 nan 8.300 nan 0.000 0.457 162 R N 1.476 122.122 120.500 0.243 0.000 2.643 162 R HA 0.472 4.812 4.340 0.000 0.000 0.270 162 R C -0.004 176.390 176.300 0.158 0.000 1.061 162 R CA -0.402 55.852 56.100 0.257 0.000 1.107 162 R CB 0.568 31.031 30.300 0.272 0.000 0.999 162 R HN 0.762 nan 8.270 nan 0.000 0.460 163 A N 1.864 124.782 122.820 0.163 0.000 2.498 163 A HA 0.290 4.610 4.320 0.000 0.000 0.239 163 A C 0.622 178.272 177.584 0.109 0.000 1.068 163 A CA 0.104 52.197 52.037 0.093 0.000 0.766 163 A CB 0.287 19.354 19.000 0.112 0.000 1.003 163 A HN 0.796 nan 8.150 nan 0.000 0.497 164 G N 0.265 109.074 108.800 0.015 0.000 2.491 164 G HA2 0.487 4.448 3.960 0.000 0.000 0.242 164 G HA3 0.487 4.448 3.960 0.000 0.000 0.242 164 G C -0.344 174.560 174.900 0.005 0.000 1.266 164 G CA -0.058 45.022 45.100 -0.033 0.000 0.844 164 G HN 1.021 nan 8.290 nan 0.000 0.571 165 F N 0.371 120.240 119.950 -0.135 0.000 2.620 165 F HA 0.710 5.237 4.527 0.000 0.000 0.320 165 F C 0.096 175.806 175.800 -0.151 0.000 1.069 165 F CA -1.879 56.035 58.000 -0.144 0.000 0.953 165 F CB 0.687 39.599 39.000 -0.147 0.000 1.322 165 F HN 0.571 nan 8.300 nan 0.000 0.479 166 V N -1.289 118.614 119.914 -0.019 0.000 3.319 166 V HA 0.468 4.588 4.120 0.000 0.000 0.303 166 V C 0.752 176.749 176.094 -0.162 0.000 1.094 166 V CA -0.680 61.558 62.300 -0.104 0.000 1.106 166 V CB 0.247 32.040 31.823 -0.049 0.000 1.099 166 V HN 1.464 nan 8.190 nan 0.000 0.476 167 c N -0.277 118.221 118.600 -0.171 0.000 0.168 167 c HA -0.179 4.392 4.570 0.000 0.000 0.017 167 c C -1.243 172.650 174.090 -0.328 0.000 0.171 167 c CA 0.747 56.939 56.329 -0.228 0.000 0.499 167 c CB -3.054 39.292 42.510 -0.273 0.000 3.212 167 c HN 1.063 nan 8.230 nan 0.000 1.118 168 P HA 0.310 nan 4.420 nan 0.000 0.307 168 P C 0.399 177.344 177.300 -0.593 0.000 1.306 168 P CA 0.767 63.594 63.100 -0.456 0.000 0.742 168 P CB 0.307 31.687 31.700 -0.533 0.000 1.349 169 T N -2.815 111.484 114.554 -0.425 0.000 3.058 169 T HA 0.329 4.679 4.350 0.000 0.000 0.278 169 T C -2.269 172.376 174.700 -0.091 0.000 0.974 169 T CA -0.852 60.972 62.100 -0.461 0.000 0.893 169 T CB -0.877 67.808 68.868 -0.305 0.000 1.138 169 T HN 0.209 nan 8.240 nan 0.000 0.529 170 P HA 0.411 nan 4.420 nan 0.000 0.278 170 P C -2.645 174.877 177.300 0.370 0.000 1.266 170 P CA -1.547 61.678 63.100 0.210 0.000 0.807 170 P CB 0.046 31.881 31.700 0.226 0.000 1.094 171 P HA -0.019 nan 4.420 nan 0.000 0.270 171 P C -1.152 176.305 177.300 0.260 0.000 1.221 171 P CA 0.712 63.910 63.100 0.162 0.000 0.788 171 P CB 0.322 32.032 31.700 0.018 0.000 0.904 172 Y N -0.952 119.301 120.300 -0.079 0.000 2.677 172 Y HA 0.401 4.951 4.550 0.000 0.000 0.334 172 Y C 0.263 176.076 175.900 -0.146 0.000 1.154 172 Y CA -0.585 57.479 58.100 -0.059 0.000 1.070 172 Y CB 2.134 40.633 38.460 0.065 0.000 1.294 172 Y HN 0.344 nan 8.280 nan 0.000 0.475 173 Q N 0.944 120.672 119.800 -0.119 0.000 2.399 173 Q HA 0.655 4.995 4.340 0.000 0.000 0.276 173 Q C -0.837 175.148 176.000 -0.025 0.000 1.098 173 Q CA -0.209 55.521 55.803 -0.122 0.000 0.827 173 Q CB 2.244 30.872 28.738 -0.184 0.000 1.386 173 Q HN 0.868 nan 8.270 nan 0.000 0.443 174 S N -0.169 115.465 115.700 -0.110 0.000 3.880 174 S HA -0.209 4.262 4.470 0.000 0.000 0.639 174 S C -0.432 173.697 174.600 -0.784 0.000 1.856 174 S CA -0.242 57.765 58.200 -0.322 0.000 2.023 174 S CB -1.167 62.095 63.200 0.104 0.000 0.328 174 S HN 1.130 nan 8.310 nan 0.000 1.793 175 L N 1.453 121.711 121.223 -1.609 0.000 3.604 175 L HA 0.286 4.626 4.340 0.000 0.000 0.441 175 L C 1.081 177.534 176.870 -0.694 0.000 1.182 175 L CA 1.504 55.430 54.840 -1.523 0.000 0.725 175 L CB -0.913 40.578 42.059 -0.946 0.000 0.985 175 L HN 2.139 nan 8.230 nan 0.000 0.791 176 A N 5.722 128.243 122.820 -0.498 0.000 2.598 176 A HA -0.012 4.308 4.320 0.000 0.000 0.239 176 A C 0.775 178.263 177.584 -0.159 0.000 1.032 176 A CA 0.397 52.307 52.037 -0.212 0.000 0.760 176 A CB -0.229 18.759 19.000 -0.021 0.000 0.946 176 A HN 0.876 nan 8.150 nan 0.000 0.512 177 R N 1.581 121.959 120.500 -0.203 0.000 2.538 177 R HA 0.103 4.443 4.340 0.000 0.000 0.282 177 R C -1.090 175.216 176.300 0.010 0.000 1.009 177 R CA 0.321 56.293 56.100 -0.214 0.000 1.063 177 R CB 0.183 30.163 30.300 -0.533 0.000 0.945 177 R HN 0.759 nan 8.270 nan 0.000 0.414 178 D N 2.625 123.026 120.400 0.002 0.000 2.457 178 D HA 0.215 4.856 4.640 0.000 0.000 0.240 178 D C -0.741 175.573 176.300 0.024 0.000 1.041 178 D CA -0.582 53.436 54.000 0.030 0.000 0.861 178 D CB 2.006 42.820 40.800 0.023 0.000 1.394 178 D HN 0.369 nan 8.370 nan 0.000 0.473 179 Q N 0.389 120.170 119.800 -0.032 0.000 2.205 179 Q HA 0.554 4.894 4.340 0.000 0.000 0.249 179 Q C -0.259 175.708 176.000 -0.054 0.000 0.948 179 Q CA -0.432 55.320 55.803 -0.085 0.000 0.895 179 Q CB 1.859 30.411 28.738 -0.311 0.000 1.249 179 Q HN 0.370 nan 8.270 nan 0.000 0.458 180 I N 1.570 122.094 120.570 -0.077 0.000 2.428 180 I HA 0.190 4.360 4.170 0.000 0.000 0.289 180 I C -0.052 176.016 176.117 -0.083 0.000 1.019 180 I CA -0.592 60.660 61.300 -0.079 0.000 1.351 180 I CB 0.882 38.816 38.000 -0.112 0.000 1.412 180 I HN 0.463 nan 8.210 nan 0.000 0.513 181 N N 4.763 123.435 118.700 -0.046 0.000 2.457 181 N HA 0.346 5.086 4.740 0.000 0.000 0.250 181 N C 0.184 175.692 175.510 -0.003 0.000 0.982 181 N CA -0.330 52.705 53.050 -0.024 0.000 0.941 181 N CB 1.707 40.195 38.487 0.002 0.000 1.120 181 N HN 0.694 nan 8.380 nan 0.000 0.505 182 A N 2.883 125.709 122.820 0.009 0.000 2.278 182 A HA 0.276 4.597 4.320 0.000 0.000 0.212 182 A C 0.166 177.830 177.584 0.133 0.000 1.213 182 A CA 0.073 52.150 52.037 0.067 0.000 0.840 182 A CB 0.102 19.154 19.000 0.086 0.000 0.866 182 A HN 0.401 nan 8.150 nan 0.000 0.489 183 V N -0.466 119.524 119.914 0.126 0.000 3.074 183 V HA 0.427 4.547 4.120 0.000 0.000 0.314 183 V C 0.420 176.577 176.094 0.104 0.000 1.117 183 V CA -0.279 62.097 62.300 0.127 0.000 1.014 183 V CB 2.062 33.969 31.823 0.139 0.000 1.057 183 V HN 0.402 nan 8.190 nan 0.000 0.438 184 T N -0.902 113.730 114.554 0.131 0.000 2.832 184 T HA 0.181 4.531 4.350 0.000 0.000 0.296 184 T C 1.022 175.769 174.700 0.078 0.000 0.968 184 T CA 0.002 62.192 62.100 0.150 0.000 1.107 184 T CB 1.149 70.185 68.868 0.280 0.000 0.916 184 T HN 0.543 nan 8.240 nan 0.000 0.517 185 S N 2.058 117.689 115.700 -0.116 0.000 2.419 185 S HA 0.072 4.542 4.470 0.000 0.000 0.233 185 S C 0.360 174.825 174.600 -0.225 0.000 1.016 185 S CA 0.518 58.567 58.200 -0.251 0.000 0.974 185 S CB -0.574 62.371 63.200 -0.425 0.000 0.786 185 S HN 0.717 nan 8.310 nan 0.000 0.492 186 F N 0.936 120.986 119.950 0.167 0.000 2.410 186 F HA 0.334 4.861 4.527 0.000 0.000 0.334 186 F C 0.327 176.279 175.800 0.254 0.000 1.134 186 F CA -1.173 56.963 58.000 0.227 0.000 1.227 186 F CB 0.220 39.361 39.000 0.236 0.000 1.194 186 F HN -0.074 nan 8.300 nan 0.000 0.571 187 L N 3.743 125.280 121.223 0.522 0.000 2.387 187 L HA 0.215 4.556 4.340 0.000 0.000 0.267 187 L C 0.100 177.208 176.870 0.397 0.000 1.197 187 L CA -0.067 55.048 54.840 0.458 0.000 1.070 187 L CB -1.128 41.278 42.059 0.580 0.000 1.349 187 L HN 0.606 nan 8.230 nan 0.000 0.422 188 D N 2.113 122.714 120.400 0.335 0.000 2.535 188 D HA 0.261 4.902 4.640 0.000 0.000 0.229 188 D C 0.767 177.220 176.300 0.255 0.000 1.238 188 D CA 0.236 54.399 54.000 0.273 0.000 0.824 188 D CB 0.150 41.097 40.800 0.246 0.000 1.045 188 D HN 0.390 nan 8.370 nan 0.000 0.500 189 A N 0.433 123.402 122.820 0.249 0.000 2.800 189 A HA -0.219 4.101 4.320 0.000 0.000 0.292 189 A C 1.646 179.366 177.584 0.227 0.000 1.474 189 A CA 0.881 53.054 52.037 0.226 0.000 0.744 189 A CB -2.543 16.643 19.000 0.310 0.000 1.044 189 A HN 0.321 nan 8.150 nan 0.000 0.489 190 S N -0.421 115.392 115.700 0.190 0.000 2.382 190 S HA -0.131 4.340 4.470 0.000 0.000 0.228 190 S C 1.765 176.431 174.600 0.109 0.000 1.027 190 S CA 1.652 59.955 58.200 0.171 0.000 0.991 190 S CB -0.518 62.777 63.200 0.158 0.000 0.823 190 S HN 1.458 nan 8.310 nan 0.000 0.469 191 L N 0.826 122.091 121.223 0.070 0.000 2.275 191 L HA 0.108 4.448 4.340 0.000 0.000 0.215 191 L C 1.968 178.871 176.870 0.056 0.000 1.119 191 L CA 0.735 55.625 54.840 0.083 0.000 0.790 191 L CB -1.506 40.603 42.059 0.084 0.000 0.919 191 L HN 0.100 nan 8.230 nan 0.000 0.443 192 V N -1.345 118.500 119.914 -0.115 0.000 2.446 192 V HA -0.139 3.981 4.120 0.000 0.000 0.244 192 V C 2.025 177.841 176.094 -0.462 0.000 1.039 192 V CA 1.579 63.650 62.300 -0.382 0.000 1.045 192 V CB -0.612 30.772 31.823 -0.732 0.000 0.681 192 V HN 0.407 nan 8.190 nan 0.000 0.459 193 Y N 0.143 120.466 120.300 0.038 0.000 2.481 193 Y HA 0.548 5.099 4.550 0.000 0.000 0.258 193 Y C 1.326 177.260 175.900 0.056 0.000 1.103 193 Y CA 0.467 58.596 58.100 0.047 0.000 1.287 193 Y CB 0.544 39.034 38.460 0.050 0.000 1.108 193 Y HN 0.345 nan 8.280 nan 0.000 0.529 194 G N 0.012 108.907 108.800 0.158 0.000 2.663 194 G HA2 -0.162 3.799 3.960 0.000 0.000 0.686 194 G HA3 -0.162 3.799 3.960 0.000 0.000 0.686 194 G C 0.088 175.064 174.900 0.127 0.000 1.246 194 G CA -0.227 44.941 45.100 0.113 0.000 0.795 194 G HN 0.029 nan 8.290 nan 0.000 0.627 195 S N 0.347 116.107 115.700 0.100 0.000 2.650 195 S HA 0.342 4.812 4.470 0.000 0.000 0.240 195 S C 0.365 175.016 174.600 0.085 0.000 1.007 195 S CA 0.369 58.632 58.200 0.105 0.000 0.984 195 S CB 0.467 63.733 63.200 0.110 0.000 0.910 195 S HN 0.584 nan 8.310 nan 0.000 0.509 196 E N 1.643 121.886 120.200 0.071 0.000 2.293 196 E HA 0.392 4.742 4.350 0.000 0.000 0.270 196 E C -2.811 173.817 176.600 0.047 0.000 0.879 196 E CA -2.289 54.143 56.400 0.053 0.000 0.756 196 E CB 1.855 31.581 29.700 0.042 0.000 1.208 196 E HN 0.016 nan 8.360 nan 0.000 0.428 200 A N -0.102 122.737 122.820 0.032 0.000 1.940 200 A HA -0.126 4.195 4.320 0.000 0.000 0.219 200 A C 2.088 179.662 177.584 -0.017 0.000 1.176 200 A CA 2.458 54.526 52.037 0.052 0.000 0.631 200 A CB -0.772 18.281 19.000 0.088 0.000 0.814 200 A HN 0.524 nan 8.150 nan 0.000 0.446 201 S N -1.012 114.661 115.700 -0.045 0.000 2.387 201 S HA -0.059 4.411 4.470 0.000 0.000 0.226 201 S C 1.998 176.555 174.600 -0.073 0.000 1.026 201 S CA 0.860 59.006 58.200 -0.090 0.000 0.972 201 S CB -0.249 62.908 63.200 -0.070 0.000 0.814 201 S HN 0.591 nan 8.310 nan 0.000 0.477 202 R N 0.670 121.146 120.500 -0.041 0.000 2.159 202 R HA 0.046 4.386 4.340 0.000 0.000 0.237 202 R C 1.464 177.742 176.300 -0.036 0.000 1.131 202 R CA 0.893 56.974 56.100 -0.031 0.000 0.982 202 R CB -0.263 30.028 30.300 -0.016 0.000 0.868 202 R HN 0.374 nan 8.270 nan 0.000 0.453 203 L N -0.140 121.061 121.223 -0.037 0.000 2.592 203 L HA 0.097 4.438 4.340 0.000 0.000 0.227 203 L C 0.464 177.300 176.870 -0.056 0.000 1.127 203 L CA 0.177 54.993 54.840 -0.038 0.000 0.884 203 L CB 0.071 42.119 42.059 -0.018 0.000 1.065 203 L HN -0.006 nan 8.230 nan 0.000 0.457 204 R N 0.580 121.026 120.500 -0.090 0.000 2.474 204 R HA 0.189 4.529 4.340 0.000 0.000 0.295 204 R C -0.059 176.192 176.300 -0.083 0.000 0.980 204 R CA -0.627 55.396 56.100 -0.129 0.000 0.934 204 R CB 0.941 31.067 30.300 -0.290 0.000 1.101 204 R HN -0.151 nan 8.270 nan 0.000 0.469 205 N N 3.552 122.224 118.700 -0.048 0.000 2.555 205 N HA 0.059 4.799 4.740 0.000 0.000 0.244 205 N C 0.206 175.699 175.510 -0.028 0.000 1.114 205 N CA 0.066 53.104 53.050 -0.021 0.000 0.963 205 N CB 0.431 38.925 38.487 0.012 0.000 1.276 205 N HN 0.575 nan 8.380 nan 0.000 0.510 206 L N 1.137 122.334 121.223 -0.042 0.000 2.567 206 L HA 0.096 4.436 4.340 0.000 0.000 0.225 206 L C 1.782 178.640 176.870 -0.019 0.000 1.119 206 L CA 0.071 54.885 54.840 -0.044 0.000 0.871 206 L CB 0.052 42.074 42.059 -0.063 0.000 1.036 206 L HN 0.351 nan 8.230 nan 0.000 0.459 207 S N -0.182 115.513 115.700 -0.008 0.000 2.383 207 S HA -0.070 4.400 4.470 0.000 0.000 0.227 207 S C 1.134 175.739 174.600 0.010 0.000 1.026 207 S CA 0.891 59.093 58.200 0.003 0.000 0.981 207 S CB -0.057 63.148 63.200 0.009 0.000 0.818 207 S HN 0.567 nan 8.310 nan 0.000 0.472 208 S N 1.718 117.427 115.700 0.015 0.000 2.616 208 S HA 0.438 4.908 4.470 0.000 0.000 0.277 208 S C -2.709 171.905 174.600 0.022 0.000 1.234 208 S CA -1.379 56.835 58.200 0.022 0.000 1.028 208 S CB 1.190 64.409 63.200 0.031 0.000 0.988 208 S HN 0.054 nan 8.310 nan 0.000 0.522 209 P HA 0.352 nan 4.420 nan 0.000 0.236 209 P C 0.025 177.353 177.300 0.048 0.000 1.749 209 P CA -0.203 62.917 63.100 0.033 0.000 0.994 209 P CB -0.281 31.440 31.700 0.034 0.000 1.599 210 L N -1.582 119.672 121.223 0.051 0.000 2.664 210 L HA 0.365 4.706 4.340 0.000 0.000 0.233 210 L C 1.357 178.279 176.870 0.088 0.000 1.113 210 L CA 0.460 55.337 54.840 0.062 0.000 0.896 210 L CB -0.389 41.700 42.059 0.049 0.000 1.163 210 L HN 0.162 nan 8.230 nan 0.000 0.497 211 G N 1.411 110.273 108.800 0.102 0.000 2.198 211 G HA2 -0.258 3.702 3.960 0.000 0.000 0.257 211 G HA3 -0.258 3.702 3.960 0.000 0.000 0.257 211 G C 0.001 175.073 174.900 0.286 0.000 1.042 211 G CA -0.023 45.184 45.100 0.178 0.000 0.791 211 G HN 0.210 nan 8.290 nan 0.000 0.502 212 L N -0.073 121.270 121.223 0.200 0.000 2.399 212 L HA 0.622 4.962 4.340 0.000 0.000 0.265 212 L C 1.230 178.211 176.870 0.185 0.000 1.089 212 L CA -1.239 53.743 54.840 0.237 0.000 0.802 212 L CB 0.751 42.889 42.059 0.131 0.000 1.180 212 L HN 0.042 nan 8.230 nan 0.000 0.454 213 M N 1.368 121.062 119.600 0.157 0.000 2.242 213 M HA 0.278 4.758 4.480 0.000 0.000 0.344 213 M C 0.267 176.561 176.300 -0.010 0.000 1.140 213 M CA -0.348 54.954 55.300 0.003 0.000 1.160 213 M CB 0.966 33.507 32.600 -0.098 0.000 1.491 213 M HN 0.686 nan 8.290 nan 0.000 0.459 214 A N 2.766 125.561 122.820 -0.042 0.000 2.462 214 A HA 0.478 4.798 4.320 0.000 0.000 0.243 214 A C 0.043 177.570 177.584 -0.094 0.000 1.076 214 A CA -0.505 51.501 52.037 -0.051 0.000 0.773 214 A CB 0.003 18.973 19.000 -0.050 0.000 1.010 214 A HN 0.793 nan 8.150 nan 0.000 0.493 215 V N 0.802 120.648 119.914 -0.113 0.000 3.046 215 V HA 0.558 4.678 4.120 0.000 0.000 0.316 215 V C 0.159 176.093 176.094 -0.265 0.000 1.104 215 V CA -1.426 60.741 62.300 -0.222 0.000 1.006 215 V CB 1.700 33.360 31.823 -0.271 0.000 1.058 215 V HN 0.852 nan 8.190 nan 0.000 0.440 216 N N 2.021 120.479 118.700 -0.404 0.000 2.492 216 N HA 0.132 4.872 4.740 0.000 0.000 0.262 216 N C 0.454 175.718 175.510 -0.410 0.000 1.202 216 N CA 0.198 52.994 53.050 -0.424 0.000 0.926 216 N CB 1.325 39.481 38.487 -0.551 0.000 1.078 216 N HN 0.790 nan 8.380 nan 0.000 0.454 217 Q N 1.939 121.643 119.800 -0.159 0.000 2.281 217 Q HA 0.116 4.456 4.340 0.000 0.000 0.215 217 Q C 0.430 176.512 176.000 0.136 0.000 0.867 217 Q CA 0.391 56.227 55.803 0.055 0.000 0.940 217 Q CB 0.559 29.356 28.738 0.099 0.000 1.111 217 Q HN 0.720 nan 8.270 nan 0.000 0.513 218 E N 0.172 120.404 120.200 0.053 0.000 2.251 218 E HA 0.260 4.610 4.350 0.000 0.000 0.194 218 E C 0.243 176.961 176.600 0.196 0.000 0.964 218 E CA 0.307 56.808 56.400 0.168 0.000 0.868 218 E CB 0.747 30.613 29.700 0.277 0.000 0.828 218 E HN 0.072 nan 8.360 nan 0.000 0.481 219 A N 0.627 123.489 122.820 0.070 0.000 2.498 219 A HA 0.599 4.919 4.320 0.000 0.000 0.298 219 A C -2.044 175.573 177.584 0.054 0.000 1.075 219 A CA -0.621 51.517 52.037 0.169 0.000 0.714 219 A CB 1.070 20.166 19.000 0.160 0.000 1.299 219 A HN 0.141 nan 8.150 nan 0.000 0.407 220 W N -0.147 121.289 121.300 0.225 0.000 3.033 220 W HA 0.527 5.187 4.660 0.000 0.000 0.336 220 W C -0.973 175.526 176.519 -0.034 0.000 1.173 220 W CA -0.062 57.317 57.345 0.057 0.000 1.185 220 W CB 1.999 31.456 29.460 -0.005 0.000 1.425 220 W HN 0.640 nan 8.180 nan 0.000 0.536 221 D N 1.355 121.703 120.400 -0.087 0.000 2.514 221 D HA 0.173 4.813 4.640 0.000 0.000 0.267 221 D C 0.131 176.414 176.300 -0.028 0.000 1.165 221 D CA 0.083 53.953 54.000 -0.217 0.000 0.958 221 D CB -0.462 40.025 40.800 -0.523 0.000 0.992 221 D HN 0.502 nan 8.370 nan 0.000 0.506 222 H N 1.462 120.615 119.070 0.138 0.000 2.770 222 H HA -0.170 4.386 4.556 0.000 0.000 0.309 222 H C 1.238 176.647 175.328 0.134 0.000 1.206 222 H CA 1.073 57.195 56.048 0.123 0.000 1.147 222 H CB -1.490 28.348 29.762 0.126 0.000 1.422 222 H HN 0.695 nan 8.280 nan 0.000 0.420 223 G N -0.918 107.994 108.800 0.186 0.000 2.176 223 G HA2 -0.299 3.661 3.960 0.000 0.000 0.253 223 G HA3 -0.299 3.661 3.960 0.000 0.000 0.253 223 G C 0.266 175.313 174.900 0.244 0.000 0.979 223 G CA 0.358 45.512 45.100 0.089 0.000 0.641 223 G HN 0.450 nan 8.290 nan 0.000 0.530 224 L N 0.501 121.871 121.223 0.246 0.000 2.344 224 L HA 0.807 5.147 4.340 0.000 0.000 0.272 224 L C 1.029 177.870 176.870 -0.049 0.000 1.035 224 L CA -0.655 54.238 54.840 0.088 0.000 0.807 224 L CB 1.654 43.655 42.059 -0.097 0.000 1.237 224 L HN 0.265 nan 8.230 nan 0.000 0.442 225 A N 1.580 124.286 122.820 -0.191 0.000 2.351 225 A HA 0.481 4.801 4.320 0.000 0.000 0.257 225 A C -1.128 176.076 177.584 -0.632 0.000 1.087 225 A CA 0.133 51.896 52.037 -0.457 0.000 0.798 225 A CB 0.160 18.988 19.000 -0.285 0.000 1.033 225 A HN 0.592 nan 8.150 nan 0.000 0.488 226 Y N 0.434 120.395 120.300 -0.566 0.000 2.562 226 Y HA 0.437 4.988 4.550 0.001 0.000 0.343 226 Y C -2.064 173.453 175.900 -0.639 0.000 1.025 226 Y CA -2.423 55.310 58.100 -0.612 0.000 1.082 226 Y CB 2.141 40.256 38.460 -0.576 0.000 1.264 226 Y HN 0.456 nan 8.280 nan 0.000 0.478 227 P HA 0.069 nan 4.420 nan 0.000 0.269 227 P C -2.643 174.469 177.300 -0.313 0.000 1.209 227 P CA -1.085 61.747 63.100 -0.446 0.000 0.776 227 P CB 0.047 31.437 31.700 -0.517 0.000 0.876 228 P HA 0.052 nan 4.420 nan 0.000 0.269 228 P C -0.510 176.785 177.300 -0.008 0.000 1.209 228 P CA 0.294 63.302 63.100 -0.154 0.000 0.776 228 P CB 0.099 31.755 31.700 -0.074 0.000 0.876 229 F N 1.378 121.380 119.950 0.088 0.000 2.484 229 F HA 0.107 4.635 4.527 0.001 0.000 0.360 229 F C 1.486 177.307 175.800 0.036 0.000 1.101 229 F CA -0.039 58.003 58.000 0.070 0.000 1.251 229 F CB -0.349 38.665 39.000 0.024 0.000 1.132 229 F HN 0.231 nan 8.300 nan 0.000 0.570 230 N N 3.508 122.354 118.700 0.244 0.000 2.448 230 N HA -0.015 4.725 4.740 0.000 0.000 0.250 230 N C -0.047 175.515 175.510 0.086 0.000 1.136 230 N CA 0.126 53.249 53.050 0.122 0.000 0.953 230 N CB -0.339 38.198 38.487 0.083 0.000 1.251 230 N HN 0.379 nan 8.380 nan 0.000 0.502 231 N N 2.699 121.445 118.700 0.078 0.000 2.484 231 N HA 0.033 4.773 4.740 0.000 0.000 0.245 231 N C -0.702 174.819 175.510 0.018 0.000 1.184 231 N CA 0.067 53.142 53.050 0.042 0.000 0.884 231 N CB 0.410 38.928 38.487 0.051 0.000 1.182 231 N HN 0.250 nan 8.380 nan 0.000 0.493 232 V N 1.441 121.363 119.914 0.014 0.000 2.383 232 V HA 0.194 4.315 4.120 0.000 0.000 0.275 232 V C 0.370 176.459 176.094 -0.008 0.000 1.036 232 V CA -0.459 61.841 62.300 0.001 0.000 0.889 232 V CB 1.288 33.110 31.823 -0.002 0.000 0.985 232 V HN 0.029 nan 8.190 nan 0.000 0.459 233 K N 5.133 125.526 120.400 -0.011 0.000 2.164 233 K HA 0.657 4.977 4.320 0.000 0.000 0.258 233 K C -2.374 174.215 176.600 -0.020 0.000 0.951 233 K CA -1.560 54.720 56.287 -0.012 0.000 0.844 233 K CB 1.437 33.934 32.500 -0.006 0.000 1.099 233 K HN 0.483 nan 8.250 nan 0.000 0.435 234 P HA 0.132 nan 4.420 nan 0.000 0.276 234 P C -0.932 176.355 177.300 -0.021 0.000 1.244 234 P CA -0.662 62.432 63.100 -0.010 0.000 0.801 234 P CB 1.025 32.721 31.700 -0.007 0.000 1.006 235 S N 0.773 116.474 115.700 0.001 0.000 2.451 235 S HA 0.446 4.916 4.470 0.000 0.000 0.301 235 S C -1.825 172.786 174.600 0.018 0.000 1.116 235 S CA -1.620 56.577 58.200 -0.004 0.000 1.093 235 S CB 0.813 64.007 63.200 -0.010 0.000 1.017 235 S HN 0.133 nan 8.310 nan 0.000 0.482 236 P HA 0.011 nan 4.420 nan 0.000 0.217 236 P C 1.132 178.484 177.300 0.087 0.000 1.150 236 P CA 0.894 63.970 63.100 -0.041 0.000 0.832 236 P CB -0.035 31.438 31.700 -0.378 0.000 0.787 237 c N -0.660 117.999 118.600 0.099 0.000 2.450 237 c HA -0.044 4.526 4.570 0.000 0.000 0.279 237 c C 2.511 176.634 174.090 0.056 0.000 1.335 237 c CA 0.633 57.023 56.329 0.102 0.000 1.749 237 c CB -1.512 41.024 42.510 0.043 0.000 1.963 237 c HN 0.343 nan 8.230 nan 0.000 0.501 238 E N -0.095 120.121 120.200 0.027 0.000 2.107 238 E HA -0.160 4.190 4.350 0.000 0.000 0.191 238 E C 1.768 178.369 176.600 0.000 0.000 0.982 238 E CA 0.903 57.291 56.400 -0.021 0.000 0.809 238 E CB -0.221 29.469 29.700 -0.018 0.000 0.756 238 E HN 0.729 nan 8.360 nan 0.000 0.459 239 F N 1.728 121.649 119.950 -0.049 0.000 2.134 239 F HA -0.176 4.351 4.527 0.000 0.000 0.299 239 F C 2.018 177.796 175.800 -0.038 0.000 1.097 239 F CA 1.397 59.384 58.000 -0.021 0.000 1.264 239 F CB -0.052 38.982 39.000 0.057 0.000 1.001 239 F HN -0.006 nan 8.300 nan 0.000 0.479 240 I N -1.527 119.095 120.570 0.087 0.000 3.176 240 I HA -0.006 4.165 4.170 0.000 0.000 0.275 240 I C 0.027 176.100 176.117 -0.074 0.000 1.298 240 I CA 0.899 62.211 61.300 0.020 0.000 1.445 240 I CB -0.599 37.428 38.000 0.045 0.000 1.075 240 I HN 0.172 nan 8.210 nan 0.000 0.482 241 N N 0.018 118.603 118.700 -0.193 0.000 2.875 241 N HA 0.105 4.845 4.740 0.000 0.000 0.253 241 N C 0.245 175.492 175.510 -0.439 0.000 1.296 241 N CA 0.072 52.885 53.050 -0.395 0.000 0.816 241 N CB 1.087 39.123 38.487 -0.753 0.000 1.504 241 N HN -0.035 nan 8.380 nan 0.000 0.582 242 T N 0.309 114.607 114.554 -0.426 0.000 2.867 242 T HA -0.067 4.283 4.350 0.000 0.000 0.268 242 T C 1.507 175.777 174.700 -0.717 0.000 1.057 242 T CA 1.761 63.576 62.100 -0.475 0.000 1.136 242 T CB 0.099 68.763 68.868 -0.339 0.000 0.874 242 T HN 0.482 nan 8.240 nan 0.000 0.466 243 T N 1.839 116.071 114.554 -0.537 0.000 2.833 243 T HA 0.030 4.381 4.350 0.000 0.000 0.269 243 T C 2.340 176.760 174.700 -0.467 0.000 1.054 243 T CA 1.022 62.854 62.100 -0.447 0.000 1.135 243 T CB -0.327 68.350 68.868 -0.319 0.000 0.869 243 T HN 0.432 nan 8.240 nan 0.000 0.466 244 A N 0.581 123.075 122.820 -0.544 0.000 1.975 244 A HA -0.004 4.317 4.320 0.000 0.000 0.215 244 A C 0.769 178.243 177.584 -0.184 0.000 1.170 244 A CA 0.519 52.333 52.037 -0.373 0.000 0.656 244 A CB -0.445 18.231 19.000 -0.540 0.000 0.821 244 A HN 0.663 nan 8.150 nan 0.000 0.449 245 H N -1.667 117.288 119.070 -0.192 0.000 2.770 245 H HA -0.124 4.432 4.556 0.000 0.000 0.309 245 H C -0.778 174.402 175.328 -0.246 0.000 1.206 245 H CA 0.760 56.700 56.048 -0.180 0.000 1.147 245 H CB -2.333 27.339 29.762 -0.149 0.000 1.422 245 H HN 0.252 nan 8.280 nan 0.000 0.420 246 V N 1.908 121.719 119.914 -0.172 0.000 2.328 246 V HA 0.235 4.355 4.120 0.000 0.000 0.278 246 V C -1.692 174.182 176.094 -0.367 0.000 1.021 246 V CA -1.287 60.814 62.300 -0.331 0.000 0.838 246 V CB 1.730 33.479 31.823 -0.123 0.000 0.999 246 V HN 0.050 nan 8.190 nan 0.000 0.447 247 P HA 0.249 nan 4.420 nan 0.000 0.274 247 P C -0.224 176.950 177.300 -0.210 0.000 1.256 247 P CA -0.553 62.349 63.100 -0.331 0.000 0.795 247 P CB 0.497 32.004 31.700 -0.323 0.000 1.038 248 c N 0.325 118.881 118.600 -0.072 0.000 2.657 248 c HA 0.268 4.838 4.570 0.000 0.000 0.404 248 c C 0.616 174.725 174.090 0.032 0.000 1.291 248 c CA -0.031 56.263 56.329 -0.060 0.000 2.218 248 c CB -1.343 41.204 42.510 0.061 0.000 2.687 248 c HN 0.365 nan 8.230 nan 0.000 0.634 249 F N 1.251 121.256 119.950 0.092 0.000 2.459 249 F HA 0.266 4.793 4.527 0.001 0.000 0.346 249 F C 0.715 176.494 175.800 -0.034 0.000 1.128 249 F CA 0.027 58.038 58.000 0.018 0.000 1.268 249 F CB 0.312 39.273 39.000 -0.065 0.000 1.161 249 F HN 0.519 nan 8.300 nan 0.000 0.583 250 Q N 2.497 122.403 119.800 0.176 0.000 2.400 250 Q HA 0.642 4.982 4.340 0.000 0.000 0.255 250 Q C -1.078 174.906 176.000 -0.026 0.000 1.008 250 Q CA -0.464 55.369 55.803 0.049 0.000 0.841 250 Q CB 0.919 29.685 28.738 0.046 0.000 1.220 250 Q HN 0.838 nan 8.270 nan 0.000 0.474 251 A N 2.372 125.143 122.820 -0.080 0.000 2.464 251 A HA 0.746 5.066 4.320 0.000 0.000 0.268 251 A C 0.862 178.407 177.584 -0.064 0.000 1.244 251 A CA -0.041 51.932 52.037 -0.106 0.000 0.871 251 A CB 0.503 19.364 19.000 -0.231 0.000 1.400 251 A HN 0.791 nan 8.150 nan 0.000 0.455 252 G N -0.946 107.839 108.800 -0.025 0.000 2.432 252 G HA2 0.033 3.993 3.960 0.000 0.000 0.219 252 G HA3 0.033 3.993 3.960 0.000 0.000 0.219 252 G C 0.271 175.169 174.900 -0.003 0.000 1.135 252 G CA 1.465 46.568 45.100 0.005 0.000 0.767 252 G HN 0.770 nan 8.290 nan 0.000 0.550 253 D N -1.383 119.010 120.400 -0.012 0.000 2.163 253 D HA 0.418 5.058 4.640 0.000 0.000 0.248 253 D C 1.572 177.763 176.300 -0.183 0.000 1.035 253 D CA 0.054 53.990 54.000 -0.108 0.000 0.872 253 D CB 1.639 42.393 40.800 -0.077 0.000 1.183 253 D HN 0.009 nan 8.370 nan 0.000 0.445 254 S N 2.842 118.386 115.700 -0.260 0.000 2.522 254 S HA -0.046 4.424 4.470 0.000 0.000 0.227 254 S C 1.336 175.820 174.600 -0.193 0.000 0.986 254 S CA 0.233 58.316 58.200 -0.196 0.000 0.929 254 S CB -0.069 63.040 63.200 -0.152 0.000 0.769 254 S HN 0.515 nan 8.310 nan 0.000 0.529 255 R N 0.926 121.246 120.500 -0.300 0.000 2.310 255 R HA 0.395 4.735 4.340 0.000 0.000 0.202 255 R C 2.280 178.531 176.300 -0.081 0.000 0.933 255 R CA 0.496 56.480 56.100 -0.193 0.000 1.054 255 R CB -0.467 29.624 30.300 -0.348 0.000 0.985 255 R HN 0.490 nan 8.270 nan 0.000 0.489 256 A N 0.940 123.667 122.820 -0.155 0.000 2.054 256 A HA -0.201 4.119 4.320 0.000 0.000 0.223 256 A C 1.731 179.235 177.584 -0.132 0.000 1.169 256 A CA 1.851 53.709 52.037 -0.297 0.000 0.655 256 A CB -0.205 18.352 19.000 -0.737 0.000 0.812 256 A HN 0.223 nan 8.150 nan 0.000 0.462 257 S N -0.929 114.700 115.700 -0.119 0.000 2.568 257 S HA 0.087 4.558 4.470 0.000 0.000 0.232 257 S C 1.359 175.681 174.600 -0.463 0.000 0.975 257 S CA 0.040 58.157 58.200 -0.139 0.000 0.949 257 S CB 0.229 63.414 63.200 -0.025 0.000 0.829 257 S HN 0.621 nan 8.310 nan 0.000 0.479 258 E N 2.385 122.236 120.200 -0.582 0.000 2.160 258 E HA -0.163 4.187 4.350 0.000 0.000 0.195 258 E C 0.636 176.948 176.600 -0.480 0.000 0.991 258 E CA 1.070 56.902 56.400 -0.948 0.000 0.810 258 E CB 0.186 29.629 29.700 -0.428 0.000 0.742 258 E HN 0.804 nan 8.360 nan 0.000 0.466 259 Q N -1.633 118.051 119.800 -0.194 0.000 2.435 259 Q HA 0.256 4.597 4.340 0.000 0.000 0.282 259 Q C 0.694 176.668 176.000 -0.044 0.000 1.020 259 Q CA -0.416 55.375 55.803 -0.020 0.000 0.820 259 Q CB 0.648 29.435 28.738 0.082 0.000 1.436 259 Q HN 0.004 nan 8.270 nan 0.000 0.395 260 I N 1.322 121.860 120.570 -0.053 0.000 2.248 260 I HA -0.286 3.885 4.170 0.000 0.000 0.248 260 I C 1.321 177.435 176.117 -0.004 0.000 1.107 260 I CA 1.522 62.791 61.300 -0.052 0.000 1.373 260 I CB 0.120 38.055 38.000 -0.109 0.000 1.055 260 I HN 0.768 nan 8.210 nan 0.000 0.418 261 L N -0.526 120.695 121.223 -0.005 0.000 2.240 261 L HA -0.130 4.210 4.340 0.000 0.000 0.211 261 L C 2.300 179.189 176.870 0.032 0.000 1.106 261 L CA 0.391 55.240 54.840 0.016 0.000 0.793 261 L CB -0.432 41.633 42.059 0.010 0.000 0.927 261 L HN 0.321 nan 8.230 nan 0.000 0.446 262 L N 0.302 121.536 121.223 0.018 0.000 2.093 262 L HA -0.075 4.265 4.340 0.000 0.000 0.208 262 L C 2.611 179.574 176.870 0.154 0.000 1.085 262 L CA 1.814 56.675 54.840 0.034 0.000 0.755 262 L CB -0.502 41.543 42.059 -0.023 0.000 0.904 262 L HN 0.123 nan 8.230 nan 0.000 0.435 263 A N -1.493 121.408 122.820 0.135 0.000 1.972 263 A HA -0.163 4.158 4.320 0.000 0.000 0.219 263 A C 2.211 179.900 177.584 0.175 0.000 1.169 263 A CA 2.063 54.225 52.037 0.207 0.000 0.635 263 A CB -1.102 18.074 19.000 0.294 0.000 0.810 263 A HN 0.522 nan 8.150 nan 0.000 0.446 264 T N -0.268 114.363 114.554 0.128 0.000 2.708 264 T HA -0.114 4.236 4.350 0.000 0.000 0.266 264 T C 1.850 176.603 174.700 0.088 0.000 1.037 264 T CA 1.694 63.850 62.100 0.094 0.000 1.146 264 T CB -0.443 68.468 68.868 0.072 0.000 0.865 264 T HN 0.179 nan 8.240 nan 0.000 0.435 265 V N 1.056 121.037 119.914 0.111 0.000 2.548 265 V HA -0.146 3.974 4.120 0.000 0.000 0.249 265 V C 2.416 178.539 176.094 0.048 0.000 1.055 265 V CA 1.326 63.706 62.300 0.134 0.000 1.065 265 V CB -0.738 31.181 31.823 0.160 0.000 0.681 265 V HN 0.571 nan 8.190 nan 0.000 0.462 266 H N 0.602 119.669 119.070 -0.005 0.000 2.387 266 H HA -0.128 4.428 4.556 0.000 0.000 0.299 266 H C 2.452 177.712 175.328 -0.113 0.000 1.099 266 H CA 2.126 58.139 56.048 -0.059 0.000 1.315 266 H CB -0.105 29.621 29.762 -0.060 0.000 1.380 266 H HN 0.441 nan 8.280 nan 0.000 0.513 267 T N 1.061 115.612 114.554 -0.005 0.000 2.812 267 T HA -0.042 4.308 4.350 0.000 0.000 0.264 267 T C 2.474 177.103 174.700 -0.119 0.000 1.042 267 T CA 0.474 62.501 62.100 -0.122 0.000 1.140 267 T CB -0.246 68.539 68.868 -0.138 0.000 0.870 267 T HN 0.166 nan 8.240 nan 0.000 0.445 268 L N 0.592 121.768 121.223 -0.079 0.000 2.012 268 L HA -0.070 4.271 4.340 0.000 0.000 0.210 268 L C 2.489 179.283 176.870 -0.128 0.000 1.073 268 L CA 1.269 56.040 54.840 -0.115 0.000 0.748 268 L CB -0.657 41.346 42.059 -0.093 0.000 0.891 268 L HN 0.237 nan 8.230 nan 0.000 0.431 269 L N -0.828 120.348 121.223 -0.077 0.000 2.141 269 L HA -0.202 4.138 4.340 0.000 0.000 0.209 269 L C 2.517 179.321 176.870 -0.109 0.000 1.094 269 L CA 0.637 55.427 54.840 -0.083 0.000 0.763 269 L CB -0.339 41.686 42.059 -0.058 0.000 0.908 269 L HN 0.279 nan 8.230 nan 0.000 0.437 270 L N -0.121 121.032 121.223 -0.116 0.000 2.056 270 L HA -0.140 4.200 4.340 0.000 0.000 0.207 270 L C 2.664 179.483 176.870 -0.085 0.000 1.078 270 L CA 1.574 56.341 54.840 -0.121 0.000 0.749 270 L CB -0.359 41.610 42.059 -0.150 0.000 0.901 270 L HN 0.044 nan 8.230 nan 0.000 0.433 271 R N -0.642 119.785 120.500 -0.121 0.000 2.115 271 R HA -0.162 4.178 4.340 0.000 0.000 0.230 271 R C 2.149 178.381 176.300 -0.115 0.000 1.111 271 R CA 1.150 57.177 56.100 -0.121 0.000 0.976 271 R CB -0.235 29.968 30.300 -0.161 0.000 0.870 271 R HN 0.353 nan 8.270 nan 0.000 0.445 272 E N 0.145 120.260 120.200 -0.142 0.000 2.106 272 E HA -0.210 4.140 4.350 0.000 0.000 0.192 272 E C 1.643 178.174 176.600 -0.114 0.000 0.984 272 E CA 1.507 57.797 56.400 -0.183 0.000 0.806 272 E CB -0.111 29.418 29.700 -0.286 0.000 0.750 272 E HN 0.418 nan 8.360 nan 0.000 0.458 273 H N -0.197 118.808 119.070 -0.108 0.000 2.290 273 H HA -0.054 4.502 4.556 0.000 0.000 0.298 273 H C 1.599 176.907 175.328 -0.033 0.000 1.087 273 H CA 2.236 58.265 56.048 -0.032 0.000 1.291 273 H CB -0.062 29.730 29.762 0.051 0.000 1.369 273 H HN 0.125 nan 8.280 nan 0.000 0.492 274 N N 0.108 118.870 118.700 0.102 0.000 2.244 274 N HA -0.120 4.620 4.740 0.000 0.000 0.183 274 N C 1.952 177.434 175.510 -0.046 0.000 1.016 274 N CA 0.849 53.932 53.050 0.054 0.000 0.866 274 N CB -0.296 38.227 38.487 0.059 0.000 0.980 274 N HN 0.396 nan 8.380 nan 0.000 0.430 275 R N 0.670 121.116 120.500 -0.089 0.000 2.066 275 R HA 0.049 4.389 4.340 0.000 0.000 0.232 275 R C 2.030 178.238 176.300 -0.153 0.000 1.131 275 R CA 0.772 56.800 56.100 -0.119 0.000 0.955 275 R CB -0.288 29.926 30.300 -0.144 0.000 0.851 275 R HN 0.158 nan 8.270 nan 0.000 0.432 276 L N 0.366 121.466 121.223 -0.204 0.000 2.042 276 L HA -0.157 4.183 4.340 0.000 0.000 0.210 276 L C 2.706 179.441 176.870 -0.224 0.000 1.076 276 L CA 1.419 56.108 54.840 -0.252 0.000 0.749 276 L CB -0.510 41.362 42.059 -0.311 0.000 0.893 276 L HN 0.318 nan 8.230 nan 0.000 0.432 277 A N -0.028 122.656 122.820 -0.227 0.000 1.933 277 A HA -0.186 4.134 4.320 0.000 0.000 0.218 277 A C 2.366 179.906 177.584 -0.074 0.000 1.175 277 A CA 1.408 53.356 52.037 -0.148 0.000 0.628 277 A CB -0.413 18.509 19.000 -0.130 0.000 0.814 277 A HN 0.340 nan 8.150 nan 0.000 0.444 278 R N -0.771 119.685 120.500 -0.075 0.000 2.148 278 R HA -0.019 4.321 4.340 0.000 0.000 0.223 278 R C 1.831 178.084 176.300 -0.078 0.000 1.088 278 R CA 1.008 57.074 56.100 -0.056 0.000 0.985 278 R CB -0.082 30.191 30.300 -0.045 0.000 0.880 278 R HN 0.432 nan 8.270 nan 0.000 0.451 279 E N 0.810 120.946 120.200 -0.108 0.000 2.112 279 E HA -0.059 4.291 4.350 0.000 0.000 0.190 279 E C 1.984 178.500 176.600 -0.140 0.000 0.979 279 E CA 0.810 57.137 56.400 -0.121 0.000 0.814 279 E CB 0.081 29.695 29.700 -0.143 0.000 0.762 279 E HN 0.320 nan 8.360 nan 0.000 0.460 280 L N 0.684 121.819 121.223 -0.148 0.000 2.376 280 L HA -0.103 4.237 4.340 0.000 0.000 0.219 280 L C 2.340 179.083 176.870 -0.211 0.000 1.133 280 L CA 0.703 55.439 54.840 -0.173 0.000 0.816 280 L CB -0.184 41.844 42.059 -0.052 0.000 0.933 280 L HN -0.002 nan 8.230 nan 0.000 0.449 281 K N 0.651 120.980 120.400 -0.119 0.000 2.116 281 K HA -0.075 4.245 4.320 0.000 0.000 0.203 281 K C 2.132 178.658 176.600 -0.124 0.000 1.052 281 K CA 1.100 57.327 56.287 -0.101 0.000 0.952 281 K CB 0.040 32.520 32.500 -0.033 0.000 0.729 281 K HN 0.042 nan 8.250 nan 0.000 0.446 282 R N -0.133 120.301 120.500 -0.111 0.000 2.073 282 R HA -0.014 4.326 4.340 0.000 0.000 0.234 282 R C 2.225 178.457 176.300 -0.113 0.000 1.134 282 R CA 1.719 57.764 56.100 -0.092 0.000 0.952 282 R CB -0.375 29.880 30.300 -0.076 0.000 0.850 282 R HN 0.167 nan 8.270 nan 0.000 0.433 283 L N 0.298 121.426 121.223 -0.158 0.000 2.156 283 L HA -0.069 4.271 4.340 0.000 0.000 0.208 283 L C 0.143 176.862 176.870 -0.252 0.000 1.095 283 L CA 0.763 55.501 54.840 -0.169 0.000 0.770 283 L CB 0.021 41.983 42.059 -0.162 0.000 0.914 283 L HN 0.137 nan 8.230 nan 0.000 0.439 284 N N -0.779 117.660 118.700 -0.436 0.000 2.762 284 N HA 0.193 4.933 4.740 0.000 0.000 0.252 284 N C -2.145 173.069 175.510 -0.494 0.000 1.269 284 N CA -1.025 51.598 53.050 -0.711 0.000 0.799 284 N CB 1.208 38.619 38.487 -1.793 0.000 1.173 284 N HN -0.119 nan 8.380 nan 0.000 0.516 285 P HA -0.113 nan 4.420 nan 0.000 0.223 285 P C 1.238 178.559 177.300 0.036 0.000 1.151 285 P CA 1.111 64.192 63.100 -0.032 0.000 0.787 285 P CB 0.058 31.778 31.700 0.034 0.000 0.788 286 H N -3.623 115.473 119.070 0.043 0.000 2.502 286 H HA -0.017 4.539 4.556 0.000 0.000 0.283 286 H C 0.180 175.678 175.328 0.283 0.000 1.015 286 H CA -0.011 56.120 56.048 0.138 0.000 1.298 286 H CB -0.986 28.858 29.762 0.137 0.000 1.411 286 H HN 0.067 nan 8.280 nan 0.000 0.556 287 W N 4.608 125.720 121.300 -0.314 0.000 2.210 287 W HA 0.103 4.763 4.660 0.000 0.000 0.330 287 W C 0.506 176.996 176.519 -0.049 0.000 1.334 287 W CA -0.616 56.633 57.345 -0.162 0.000 1.227 287 W CB 0.297 29.642 29.460 -0.191 0.000 1.178 287 W HN 0.315 nan 8.180 nan 0.000 0.560 288 D N 0.184 120.683 120.400 0.166 0.000 2.423 288 D HA 0.254 4.894 4.640 0.000 0.000 0.255 288 D C 1.441 177.792 176.300 0.085 0.000 1.174 288 D CA -0.200 53.860 54.000 0.099 0.000 1.008 288 D CB 0.033 40.868 40.800 0.059 0.000 1.101 288 D HN 0.425 nan 8.370 nan 0.000 0.516 289 G N -0.601 108.236 108.800 0.062 0.000 2.440 289 G HA2 -0.335 3.625 3.960 0.000 0.000 0.218 289 G HA3 -0.335 3.625 3.960 0.000 0.000 0.218 289 G C 1.328 176.264 174.900 0.060 0.000 1.154 289 G CA 1.205 46.342 45.100 0.062 0.000 0.767 289 G HN 0.624 nan 8.290 nan 0.000 0.552 290 E N 0.164 120.377 120.200 0.022 0.000 2.051 290 E HA -0.122 4.228 4.350 0.000 0.000 0.192 290 E C 2.405 178.980 176.600 -0.041 0.000 0.991 290 E CA 1.345 57.751 56.400 0.009 0.000 0.799 290 E CB -0.408 29.284 29.700 -0.014 0.000 0.748 290 E HN 0.431 nan 8.360 nan 0.000 0.449 291 M N -0.484 119.057 119.600 -0.097 0.000 2.229 291 M HA -0.091 4.389 4.480 0.000 0.000 0.264 291 M C 1.771 177.962 176.300 -0.182 0.000 1.063 291 M CA 1.186 56.338 55.300 -0.246 0.000 1.114 291 M CB 0.015 32.361 32.600 -0.423 0.000 1.387 291 M HN 0.203 nan 8.290 nan 0.000 0.420 292 L N -1.036 120.201 121.223 0.023 0.000 2.027 292 L HA -0.220 4.120 4.340 0.000 0.000 0.206 292 L C 2.512 179.401 176.870 0.031 0.000 1.074 292 L CA 1.497 56.407 54.840 0.118 0.000 0.745 292 L CB -1.014 41.136 42.059 0.153 0.000 0.898 292 L HN 0.352 nan 8.230 nan 0.000 0.433 293 Y N 0.595 120.868 120.300 -0.045 0.000 2.128 293 Y HA -0.300 4.251 4.550 0.000 0.000 0.284 293 Y C 2.750 178.570 175.900 -0.134 0.000 1.154 293 Y CA 1.642 59.751 58.100 0.014 0.000 1.149 293 Y CB -0.170 38.292 38.460 0.003 0.000 0.976 293 Y HN 0.161 nan 8.280 nan 0.000 0.505 294 Q N 0.275 119.816 119.800 -0.431 0.000 2.046 294 Q HA -0.163 4.177 4.340 0.000 0.000 0.200 294 Q C 2.099 177.734 176.000 -0.608 0.000 0.975 294 Q CA 1.603 56.909 55.803 -0.828 0.000 0.836 294 Q CB -0.323 27.530 28.738 -1.475 0.000 0.896 294 Q HN 0.606 nan 8.270 nan 0.000 0.428 295 E N 0.590 120.585 120.200 -0.342 0.000 2.150 295 E HA -0.089 4.261 4.350 0.000 0.000 0.193 295 E C 1.864 178.442 176.600 -0.036 0.000 0.985 295 E CA 0.944 57.340 56.400 -0.006 0.000 0.814 295 E CB -0.060 29.751 29.700 0.185 0.000 0.752 295 E HN 0.290 nan 8.360 nan 0.000 0.466 296 A N 1.571 124.276 122.820 -0.192 0.000 1.873 296 A HA -0.180 4.140 4.320 0.000 0.000 0.215 296 A C 2.226 179.706 177.584 -0.174 0.000 1.186 296 A CA 1.602 53.462 52.037 -0.295 0.000 0.616 296 A CB -0.523 18.076 19.000 -0.668 0.000 0.823 296 A HN 0.152 nan 8.150 nan 0.000 0.442 297 R N -0.114 120.226 120.500 -0.267 0.000 2.117 297 R HA -0.192 4.148 4.340 0.000 0.000 0.243 297 R C 2.215 178.444 176.300 -0.118 0.000 1.143 297 R CA 2.081 57.954 56.100 -0.379 0.000 0.968 297 R CB -0.254 29.388 30.300 -1.097 0.000 0.863 297 R HN 0.520 nan 8.270 nan 0.000 0.444 298 K N 0.157 120.525 120.400 -0.053 0.000 2.097 298 K HA -0.079 4.241 4.320 0.000 0.000 0.205 298 K C 2.019 178.846 176.600 0.379 0.000 1.050 298 K CA 1.431 57.817 56.287 0.166 0.000 0.938 298 K CB -0.005 32.630 32.500 0.226 0.000 0.718 298 K HN 0.231 nan 8.250 nan 0.000 0.442 299 I N 0.832 121.560 120.570 0.262 0.000 2.286 299 I HA -0.256 3.915 4.170 0.000 0.000 0.245 299 I C 2.247 178.421 176.117 0.095 0.000 1.104 299 I CA 0.504 61.885 61.300 0.134 0.000 1.397 299 I CB -0.153 37.763 38.000 -0.141 0.000 1.072 299 I HN 0.148 nan 8.210 nan 0.000 0.417 300 L N 1.149 122.435 121.223 0.106 0.000 2.083 300 L HA -0.070 4.270 4.340 0.000 0.000 0.209 300 L C 2.326 179.367 176.870 0.285 0.000 1.083 300 L CA 2.066 57.011 54.840 0.176 0.000 0.752 300 L CB -1.048 41.138 42.059 0.211 0.000 0.899 300 L HN 0.191 nan 8.230 nan 0.000 0.433 301 G N -1.321 107.634 108.800 0.257 0.000 2.408 301 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 301 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 301 G C 1.589 176.607 174.900 0.197 0.000 1.150 301 G CA 0.707 45.956 45.100 0.247 0.000 0.776 301 G HN 0.604 nan 8.290 nan 0.000 0.542 302 A N 0.681 123.605 122.820 0.175 0.000 1.873 302 A HA 0.078 4.399 4.320 0.000 0.000 0.215 302 A C 2.132 179.613 177.584 -0.171 0.000 1.186 302 A CA 1.540 53.561 52.037 -0.026 0.000 0.616 302 A CB -0.629 18.325 19.000 -0.076 0.000 0.823 302 A HN 0.433 nan 8.150 nan 0.000 0.442 303 F N 0.980 120.838 119.950 -0.152 0.000 2.063 303 F HA -0.256 4.271 4.527 0.000 0.000 0.298 303 F C 1.957 177.779 175.800 0.037 0.000 1.109 303 F CA 2.184 60.118 58.000 -0.109 0.000 1.212 303 F CB -0.350 38.626 39.000 -0.040 0.000 0.973 303 F HN 0.197 nan 8.300 nan 0.000 0.480 304 I N 0.130 120.807 120.570 0.178 0.000 2.264 304 I HA -0.328 3.842 4.170 0.000 0.000 0.248 304 I C 2.407 178.662 176.117 0.230 0.000 1.111 304 I CA 1.531 62.993 61.300 0.269 0.000 1.382 304 I CB -0.657 37.558 38.000 0.358 0.000 1.060 304 I HN 0.363 nan 8.210 nan 0.000 0.418 305 Q N 0.467 120.329 119.800 0.103 0.000 2.119 305 Q HA -0.148 4.192 4.340 0.000 0.000 0.201 305 Q C 2.348 178.367 176.000 0.031 0.000 0.972 305 Q CA 1.395 57.251 55.803 0.088 0.000 0.847 305 Q CB -0.003 28.573 28.738 -0.272 0.000 0.903 305 Q HN 0.539 nan 8.270 nan 0.000 0.433 306 I N 0.431 120.818 120.570 -0.305 0.000 2.163 306 I HA -0.256 3.915 4.170 0.000 0.000 0.240 306 I C 2.033 178.068 176.117 -0.136 0.000 1.081 306 I CA 0.718 61.816 61.300 -0.337 0.000 1.353 306 I CB -0.280 37.326 38.000 -0.656 0.000 1.054 306 I HN 0.191 nan 8.210 nan 0.000 0.407 307 I N 0.745 121.137 120.570 -0.296 0.000 2.208 307 I HA -0.260 3.910 4.170 0.000 0.000 0.245 307 I C 2.606 178.640 176.117 -0.138 0.000 1.097 307 I CA 1.849 62.940 61.300 -0.347 0.000 1.363 307 I CB -1.884 35.668 38.000 -0.747 0.000 1.051 307 I HN 0.277 nan 8.210 nan 0.000 0.413 308 T N 0.878 115.567 114.554 0.224 0.000 2.708 308 T HA -0.137 4.213 4.350 0.000 0.000 0.266 308 T C 1.771 176.609 174.700 0.231 0.000 1.037 308 T CA 1.480 63.832 62.100 0.421 0.000 1.146 308 T CB -0.328 68.897 68.868 0.595 0.000 0.865 308 T HN 0.106 nan 8.240 nan 0.000 0.435 309 F N 0.504 120.561 119.950 0.178 0.000 2.387 309 F HA 0.301 4.828 4.527 0.000 0.000 0.294 309 F C 2.527 178.392 175.800 0.109 0.000 1.093 309 F CA 0.271 58.386 58.000 0.191 0.000 1.420 309 F CB -0.082 39.166 39.000 0.413 0.000 1.086 309 F HN -0.080 nan 8.300 nan 0.000 0.531 310 R N 0.054 120.683 120.500 0.216 0.000 2.090 310 R HA -0.048 4.292 4.340 0.000 0.000 0.219 310 R C 1.155 177.439 176.300 -0.028 0.000 1.100 310 R CA 1.555 57.717 56.100 0.104 0.000 0.991 310 R CB -0.010 30.343 30.300 0.088 0.000 0.893 310 R HN 0.137 nan 8.270 nan 0.000 0.443 311 D N -1.113 119.201 120.400 -0.143 0.000 2.431 311 D HA -0.076 4.564 4.640 0.000 0.000 0.235 311 D C 1.388 177.399 176.300 -0.481 0.000 0.980 311 D CA 0.562 54.372 54.000 -0.316 0.000 0.912 311 D CB -0.284 40.261 40.800 -0.425 0.000 1.056 311 D HN 0.147 nan 8.370 nan 0.000 0.494 312 Y N 1.983 121.923 120.300 -0.600 0.000 2.153 312 Y HA 0.044 4.594 4.550 0.000 0.000 0.289 312 Y C 2.215 178.019 175.900 -0.161 0.000 1.119 312 Y CA 1.130 58.964 58.100 -0.443 0.000 1.116 312 Y CB -0.466 37.867 38.460 -0.211 0.000 1.004 312 Y HN -0.213 nan 8.280 nan 0.000 0.501 313 L N 0.311 121.357 121.223 -0.295 0.000 2.017 313 L HA -0.157 4.183 4.340 0.000 0.000 0.208 313 L C -0.527 176.173 176.870 -0.283 0.000 1.073 313 L CA 1.359 55.949 54.840 -0.415 0.000 0.745 313 L CB -1.823 39.925 42.059 -0.517 0.000 0.894 313 L HN 0.204 nan 8.230 nan 0.000 0.432 314 P HA -0.183 nan 4.420 nan 0.000 0.220 314 P C 1.537 178.749 177.300 -0.147 0.000 1.144 314 P CA 1.457 64.479 63.100 -0.130 0.000 0.800 314 P CB -0.107 31.537 31.700 -0.094 0.000 0.772 315 I N -6.060 114.396 120.570 -0.191 0.000 3.783 315 I HA 0.046 4.216 4.170 0.000 0.000 0.310 315 I C 1.417 177.436 176.117 -0.163 0.000 1.274 315 I CA 0.286 61.467 61.300 -0.197 0.000 1.294 315 I CB -0.277 37.571 38.000 -0.254 0.000 1.051 315 I HN -0.254 nan 8.210 nan 0.000 0.435 316 V N 1.632 121.451 119.914 -0.158 0.000 2.374 316 V HA -0.045 4.075 4.120 0.000 0.000 0.241 316 V C 2.391 178.386 176.094 -0.165 0.000 1.034 316 V CA 1.374 63.603 62.300 -0.119 0.000 1.037 316 V CB -0.328 31.319 31.823 -0.293 0.000 0.682 316 V HN 0.374 nan 8.190 nan 0.000 0.463 317 L N -0.261 120.864 121.223 -0.163 0.000 2.179 317 L HA 0.311 4.651 4.340 0.000 0.000 0.208 317 L C 1.716 178.556 176.870 -0.049 0.000 1.096 317 L CA 0.979 55.761 54.840 -0.095 0.000 0.779 317 L CB -0.906 41.123 42.059 -0.051 0.000 0.922 317 L HN 0.581 nan 8.230 nan 0.000 0.443 318 G N 0.763 109.523 108.800 -0.066 0.000 2.531 318 G HA2 -0.405 3.555 3.960 0.000 0.000 0.274 318 G HA3 -0.405 3.555 3.960 0.000 0.000 0.274 318 G C 0.869 175.755 174.900 -0.023 0.000 1.159 318 G CA 0.517 45.587 45.100 -0.050 0.000 0.969 318 G HN 0.363 nan 8.290 nan 0.000 0.554 319 S N 0.356 116.048 115.700 -0.013 0.000 2.507 319 S HA 0.054 4.524 4.470 0.000 0.000 0.235 319 S C 1.517 176.124 174.600 0.010 0.000 0.988 319 S CA 1.828 60.024 58.200 -0.007 0.000 0.944 319 S CB 0.043 63.237 63.200 -0.011 0.000 0.762 319 S HN 0.608 nan 8.310 nan 0.000 0.526 320 E N 0.694 120.923 120.200 0.047 0.000 2.511 320 E HA 0.093 4.443 4.350 0.000 0.000 0.196 320 E C 1.445 178.138 176.600 0.155 0.000 1.066 320 E CA 0.175 56.649 56.400 0.123 0.000 0.871 320 E CB -0.331 29.511 29.700 0.236 0.000 0.863 320 E HN 0.567 nan 8.360 nan 0.000 0.520 321 M N 1.789 121.436 119.600 0.079 0.000 2.065 321 M HA -0.242 4.238 4.480 0.000 0.000 0.259 321 M C 2.181 178.529 176.300 0.080 0.000 1.069 321 M CA 1.967 57.313 55.300 0.075 0.000 1.110 321 M CB -0.269 32.343 32.600 0.020 0.000 1.328 321 M HN 0.049 nan 8.290 nan 0.000 0.405 322 Q N -0.992 118.825 119.800 0.029 0.000 2.297 322 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 322 Q C 2.031 177.999 176.000 -0.055 0.000 0.962 322 Q CA 1.395 57.202 55.803 0.007 0.000 0.879 322 Q CB -0.648 28.085 28.738 -0.008 0.000 0.947 322 Q HN 0.598 nan 8.270 nan 0.000 0.462 323 K N 0.226 120.549 120.400 -0.128 0.000 2.097 323 K HA -0.136 4.185 4.320 0.000 0.000 0.206 323 K C 0.887 177.179 176.600 -0.514 0.000 1.049 323 K CA 1.697 57.755 56.287 -0.381 0.000 0.933 323 K CB 0.010 32.202 32.500 -0.515 0.000 0.717 323 K HN 0.403 nan 8.250 nan 0.000 0.442 324 W N -0.236 121.077 121.300 0.022 0.000 2.792 324 W HA 0.307 4.968 4.660 0.001 0.000 0.262 324 W C 0.118 176.674 176.519 0.062 0.000 1.212 324 W CA -0.518 56.850 57.345 0.039 0.000 1.433 324 W CB 0.735 30.230 29.460 0.057 0.000 1.004 324 W HN -0.200 nan 8.180 nan 0.000 0.608 325 I N 2.950 123.676 120.570 0.261 0.000 2.555 325 I HA 0.221 4.391 4.170 0.000 0.000 0.275 325 I C -2.135 174.074 176.117 0.152 0.000 1.082 325 I CA -1.932 59.499 61.300 0.219 0.000 1.167 325 I CB 0.550 38.696 38.000 0.243 0.000 1.312 325 I HN -0.437 nan 8.210 nan 0.000 0.493 326 P HA 0.379 nan 4.420 nan 0.000 0.276 326 P C -2.535 174.829 177.300 0.106 0.000 1.261 326 P CA -1.559 61.585 63.100 0.073 0.000 0.800 326 P CB -0.310 31.407 31.700 0.027 0.000 1.066 327 P HA -0.004 nan 4.420 nan 0.000 0.267 327 P C -0.461 176.924 177.300 0.141 0.000 1.201 327 P CA 0.233 63.408 63.100 0.125 0.000 0.775 327 P CB -0.090 31.662 31.700 0.087 0.000 0.854 328 Y N 2.345 122.662 120.300 0.029 0.000 2.632 328 Y HA -0.029 4.521 4.550 0.000 0.000 0.329 328 Y C 1.232 177.125 175.900 -0.012 0.000 1.174 328 Y CA 0.812 58.908 58.100 -0.007 0.000 1.469 328 Y CB 0.377 38.837 38.460 0.000 0.000 1.242 328 Y HN 0.328 nan 8.280 nan 0.000 0.540 329 Q N 4.509 124.027 119.800 -0.470 0.000 2.171 329 Q HA 0.306 4.646 4.340 0.000 0.000 0.218 329 Q C 0.550 176.224 176.000 -0.543 0.000 0.822 329 Q CA 0.501 56.078 55.803 -0.378 0.000 0.987 329 Q CB 0.692 29.301 28.738 -0.215 0.000 1.144 329 Q HN 1.006 nan 8.270 nan 0.000 0.494 330 G N 1.390 109.498 108.800 -1.153 0.000 2.612 330 G HA2 -0.264 3.696 3.960 0.000 0.000 0.686 330 G HA3 -0.264 3.696 3.960 0.000 0.000 0.686 330 G C -1.239 173.406 174.900 -0.425 0.000 1.274 330 G CA -0.835 43.815 45.100 -0.751 0.000 0.849 330 G HN 0.185 nan 8.290 nan 0.000 0.595 331 Y N 1.710 121.909 120.300 -0.168 0.000 2.465 331 Y HA 0.553 5.103 4.550 0.000 0.000 0.331 331 Y C 0.280 176.145 175.900 -0.058 0.000 1.102 331 Y CA -0.460 57.624 58.100 -0.027 0.000 1.358 331 Y CB 0.906 39.389 38.460 0.038 0.000 1.213 331 Y HN 0.677 nan 8.280 nan 0.000 0.525 332 N N 5.335 123.729 118.700 -0.511 0.000 2.483 332 N HA 0.101 4.841 4.740 0.000 0.000 0.267 332 N C -0.255 174.861 175.510 -0.656 0.000 0.998 332 N CA -0.588 52.162 53.050 -0.500 0.000 0.918 332 N CB 0.438 38.782 38.487 -0.238 0.000 1.215 332 N HN 0.827 nan 8.380 nan 0.000 0.500 333 N N 1.440 119.721 118.700 -0.699 0.000 2.398 333 N HA 0.004 4.744 4.740 0.000 0.000 0.188 333 N C -0.147 175.277 175.510 -0.143 0.000 1.122 333 N CA 0.030 52.822 53.050 -0.429 0.000 0.866 333 N CB 0.144 38.462 38.487 -0.282 0.000 0.970 333 N HN 0.179 nan 8.380 nan 0.000 0.462 334 S N -0.214 115.404 115.700 -0.136 0.000 2.575 334 S HA 0.179 4.649 4.470 0.000 0.000 0.215 334 S C 0.395 174.975 174.600 -0.033 0.000 0.966 334 S CA -0.460 57.703 58.200 -0.061 0.000 0.911 334 S CB 0.406 63.569 63.200 -0.063 0.000 0.780 334 S HN 0.117 nan 8.310 nan 0.000 0.514 335 V N 2.823 122.715 119.914 -0.036 0.000 2.407 335 V HA 0.252 4.372 4.120 0.000 0.000 0.278 335 V C -0.054 176.077 176.094 0.062 0.000 1.037 335 V CA -0.984 61.319 62.300 0.005 0.000 0.900 335 V CB 1.345 33.167 31.823 -0.001 0.000 0.983 335 V HN 0.130 nan 8.190 nan 0.000 0.459 336 D N 7.369 127.811 120.400 0.069 0.000 2.342 336 D HA 0.196 4.837 4.640 0.000 0.000 0.260 336 D C -1.584 174.778 176.300 0.102 0.000 1.278 336 D CA -1.787 52.273 54.000 0.100 0.000 0.910 336 D CB 1.795 42.667 40.800 0.121 0.000 1.079 336 D HN 0.275 nan 8.370 nan 0.000 0.496 337 P HA 0.036 nan 4.420 nan 0.000 0.245 337 P C 0.148 177.368 177.300 -0.133 0.000 1.206 337 P CA 0.071 63.175 63.100 0.007 0.000 0.781 337 P CB 0.327 32.055 31.700 0.046 0.000 0.994 338 R N 0.546 121.010 120.500 -0.060 0.000 2.640 338 R HA 0.104 4.444 4.340 0.000 0.000 0.270 338 R C 0.400 176.648 176.300 -0.088 0.000 1.024 338 R CA -0.274 55.780 56.100 -0.076 0.000 1.085 338 R CB 0.182 30.488 30.300 0.011 0.000 0.963 338 R HN 0.038 nan 8.270 nan 0.000 0.426 339 I N 2.674 123.155 120.570 -0.149 0.000 2.471 339 I HA -0.030 4.140 4.170 0.000 0.000 0.286 339 I C 1.104 177.103 176.117 -0.196 0.000 1.079 339 I CA 0.334 61.502 61.300 -0.219 0.000 1.398 339 I CB 0.727 38.638 38.000 -0.148 0.000 1.403 339 I HN 0.676 nan 8.210 nan 0.000 0.530 340 S N 5.321 120.787 115.700 -0.390 0.000 2.603 340 S HA 0.148 4.618 4.470 0.000 0.000 0.268 340 S C 1.072 175.501 174.600 -0.284 0.000 1.317 340 S CA -0.561 57.323 58.200 -0.527 0.000 1.012 340 S CB 1.371 63.655 63.200 -1.526 0.000 0.926 340 S HN 0.623 nan 8.310 nan 0.000 0.539 341 N N 0.791 119.399 118.700 -0.154 0.000 2.120 341 N HA -0.127 4.614 4.740 0.000 0.000 0.188 341 N C 1.644 177.185 175.510 0.052 0.000 1.024 341 N CA 1.409 54.483 53.050 0.040 0.000 0.852 341 N CB -0.778 37.821 38.487 0.186 0.000 1.003 341 N HN 0.552 nan 8.380 nan 0.000 0.424 342 V N 0.521 120.356 119.914 -0.131 0.000 2.720 342 V HA -0.157 3.963 4.120 0.000 0.000 0.256 342 V C 1.948 177.910 176.094 -0.220 0.000 1.082 342 V CA 1.212 63.360 62.300 -0.254 0.000 1.101 342 V CB -0.725 30.502 31.823 -0.994 0.000 0.693 342 V HN 0.270 nan 8.190 nan 0.000 0.479 343 F N 1.754 121.448 119.950 -0.427 0.000 2.186 343 F HA -0.137 4.390 4.527 0.000 0.000 0.299 343 F C 2.583 178.288 175.800 -0.158 0.000 1.090 343 F CA 2.060 59.866 58.000 -0.324 0.000 1.307 343 F CB -0.585 38.167 39.000 -0.413 0.000 1.019 343 F HN 0.365 nan 8.300 nan 0.000 0.489 344 T N -2.433 112.010 114.554 -0.185 0.000 3.051 344 T HA -0.157 4.193 4.350 0.000 0.000 0.269 344 T C 1.561 175.902 174.700 -0.597 0.000 1.127 344 T CA 1.343 63.213 62.100 -0.383 0.000 1.107 344 T CB -0.949 67.655 68.868 -0.440 0.000 0.898 344 T HN 0.323 nan 8.240 nan 0.000 0.517 345 F N 0.650 120.507 119.950 -0.154 0.000 2.602 345 F HA 0.577 5.105 4.527 0.000 0.000 0.284 345 F C 2.736 178.548 175.800 0.021 0.000 1.111 345 F CA -0.062 57.898 58.000 -0.067 0.000 1.405 345 F CB -0.331 38.638 39.000 -0.051 0.000 1.121 345 F HN 0.182 nan 8.300 nan 0.000 0.603 346 A N -0.020 122.827 122.820 0.046 0.000 1.930 346 A HA -0.177 4.144 4.320 0.000 0.000 0.217 346 A C 1.879 179.545 177.584 0.136 0.000 1.175 346 A CA 1.113 53.166 52.037 0.028 0.000 0.627 346 A CB -1.031 17.901 19.000 -0.113 0.000 0.815 346 A HN 0.351 nan 8.150 nan 0.000 0.443 347 F N 0.903 120.652 119.950 -0.336 0.000 2.604 347 F HA 0.052 4.580 4.527 0.000 0.000 0.298 347 F C 1.781 177.311 175.800 -0.449 0.000 1.131 347 F CA 0.279 58.065 58.000 -0.356 0.000 1.457 347 F CB -0.321 38.233 39.000 -0.744 0.000 1.095 347 F HN 0.191 nan 8.300 nan 0.000 0.574 348 R N 0.036 120.496 120.500 -0.066 0.000 2.340 348 R HA -0.078 4.262 4.340 0.000 0.000 0.215 348 R C 1.707 178.029 176.300 0.037 0.000 1.017 348 R CA 0.330 56.283 56.100 -0.245 0.000 1.111 348 R CB -0.932 29.325 30.300 -0.073 0.000 1.049 348 R HN 0.397 nan 8.270 nan 0.000 0.490 349 F N -1.677 118.342 119.950 0.115 0.000 2.365 349 F HA 0.119 4.646 4.527 0.000 0.000 0.300 349 F C 1.895 177.757 175.800 0.103 0.000 1.090 349 F CA 0.638 58.692 58.000 0.090 0.000 1.408 349 F CB -0.730 38.306 39.000 0.061 0.000 1.060 349 F HN -0.127 nan 8.300 nan 0.000 0.534 350 G N -0.197 108.206 108.800 -0.661 0.000 2.471 350 G HA2 -0.210 3.750 3.960 0.000 0.000 0.219 350 G HA3 -0.210 3.750 3.960 0.000 0.000 0.219 350 G C 1.206 176.084 174.900 -0.037 0.000 1.125 350 G CA 0.887 45.735 45.100 -0.420 0.000 0.775 350 G HN 0.601 nan 8.290 nan 0.000 0.548 351 H N -0.297 118.810 119.070 0.063 0.000 2.456 351 H HA 0.077 4.633 4.556 0.000 0.000 0.296 351 H C 2.281 177.741 175.328 0.220 0.000 1.079 351 H CA 0.788 56.933 56.048 0.161 0.000 1.322 351 H CB 0.024 29.939 29.762 0.256 0.000 1.388 351 H HN 0.345 nan 8.280 nan 0.000 0.538 352 M N 0.062 119.864 119.600 0.337 0.000 2.495 352 M HA 0.001 4.482 4.480 0.000 0.000 0.237 352 M C 0.732 177.170 176.300 0.229 0.000 1.131 352 M CA 0.743 56.205 55.300 0.270 0.000 1.032 352 M CB 0.459 33.181 32.600 0.202 0.000 1.513 352 M HN 0.277 nan 8.290 nan 0.000 0.488 353 E N 0.204 120.537 120.200 0.223 0.000 2.481 353 E HA 0.108 4.459 4.350 0.000 0.000 0.198 353 E C -0.088 176.630 176.600 0.197 0.000 1.027 353 E CA -0.103 56.429 56.400 0.220 0.000 0.900 353 E CB 0.797 30.635 29.700 0.229 0.000 0.993 353 E HN 0.173 nan 8.360 nan 0.000 0.482 354 V N 4.733 124.767 119.914 0.199 0.000 2.455 354 V HA 0.135 4.255 4.120 0.000 0.000 0.273 354 V C -1.835 174.375 176.094 0.193 0.000 1.045 354 V CA -1.442 60.968 62.300 0.184 0.000 0.976 354 V CB 0.536 32.475 31.823 0.194 0.000 0.993 354 V HN 0.057 nan 8.190 nan 0.000 0.475 355 P HA 0.218 nan 4.420 nan 0.000 0.279 355 P C 0.594 177.980 177.300 0.144 0.000 1.276 355 P CA -0.483 62.714 63.100 0.162 0.000 0.801 355 P CB 1.099 32.880 31.700 0.134 0.000 1.127 356 S N -1.798 113.982 115.700 0.135 0.000 2.496 356 S HA 0.051 4.521 4.470 0.000 0.000 0.224 356 S C 0.865 175.506 174.600 0.068 0.000 0.996 356 S CA 0.453 58.717 58.200 0.108 0.000 0.927 356 S CB -1.064 62.197 63.200 0.101 0.000 0.774 356 S HN 0.729 nan 8.310 nan 0.000 0.524 357 T N -1.051 113.539 114.554 0.060 0.000 2.916 357 T HA 0.745 5.095 4.350 0.000 0.000 0.292 357 T C -0.948 173.763 174.700 0.019 0.000 1.055 357 T CA -0.805 61.311 62.100 0.027 0.000 1.009 357 T CB 1.896 70.784 68.868 0.034 0.000 1.118 357 T HN -0.022 nan 8.240 nan 0.000 0.497 358 V N 1.862 121.770 119.914 -0.011 0.000 2.540 358 V HA 0.648 4.768 4.120 0.000 0.000 0.302 358 V C -0.128 175.961 176.094 -0.009 0.000 1.035 358 V CA -0.685 61.608 62.300 -0.012 0.000 0.873 358 V CB 1.976 33.773 31.823 -0.044 0.000 0.992 358 V HN 1.126 nan 8.190 nan 0.000 0.428 359 S N 4.200 119.906 115.700 0.009 0.000 2.578 359 S HA 0.706 5.176 4.470 0.000 0.000 0.301 359 S C -0.452 174.148 174.600 0.000 0.000 1.091 359 S CA -0.848 57.363 58.200 0.018 0.000 1.032 359 S CB 1.503 64.727 63.200 0.040 0.000 1.064 359 S HN 0.671 nan 8.310 nan 0.000 0.508 360 R N 1.545 122.055 120.500 0.018 0.000 2.480 360 R HA 0.617 4.957 4.340 0.000 0.000 0.306 360 R C -1.308 175.014 176.300 0.037 0.000 0.958 360 R CA -0.472 55.614 56.100 -0.023 0.000 0.861 360 R CB 1.101 31.391 30.300 -0.017 0.000 1.171 360 R HN 0.449 nan 8.270 nan 0.000 0.445 361 L N 2.449 123.621 121.223 -0.085 0.000 2.365 361 L HA 0.393 4.734 4.340 0.000 0.000 0.273 361 L C -0.036 176.731 176.870 -0.172 0.000 1.000 361 L CA -1.197 53.596 54.840 -0.078 0.000 0.819 361 L CB 1.820 43.788 42.059 -0.152 0.000 1.284 361 L HN 0.655 nan 8.230 nan 0.000 0.418 362 D N 0.515 120.926 120.400 0.018 0.000 2.356 362 D HA -0.018 4.622 4.640 0.000 0.000 0.258 362 D C 0.669 176.842 176.300 -0.211 0.000 1.279 362 D CA -0.221 53.812 54.000 0.056 0.000 1.016 362 D CB 0.505 41.456 40.800 0.251 0.000 1.107 362 D HN 0.572 nan 8.370 nan 0.000 0.544 363 E N -1.195 118.930 120.200 -0.125 0.000 2.338 363 E HA -0.118 4.233 4.350 0.000 0.000 0.197 363 E C 0.551 177.057 176.600 -0.157 0.000 1.007 363 E CA 0.680 56.978 56.400 -0.170 0.000 0.849 363 E CB -0.555 29.108 29.700 -0.061 0.000 0.774 363 E HN 0.451 nan 8.360 nan 0.000 0.506 364 N N -0.165 118.462 118.700 -0.121 0.000 2.235 364 N HA 0.062 4.802 4.740 0.000 0.000 0.209 364 N C -0.853 174.523 175.510 -0.223 0.000 1.122 364 N CA -0.184 52.819 53.050 -0.077 0.000 0.845 364 N CB 0.139 38.654 38.487 0.047 0.000 1.004 364 N HN 0.087 nan 8.380 nan 0.000 0.499 365 Y N -0.232 119.771 120.300 -0.496 0.000 3.825 365 Y HA -0.281 4.270 4.550 0.000 0.000 0.221 365 Y C -0.014 175.761 175.900 -0.209 0.000 1.195 365 Y CA 0.298 58.116 58.100 -0.470 0.000 1.699 365 Y CB -1.629 36.297 38.460 -0.892 0.000 1.531 365 Y HN 0.262 nan 8.280 nan 0.000 0.640 366 Q N -0.002 119.779 119.800 -0.032 0.000 2.215 366 Q HA 0.429 4.769 4.340 0.000 0.000 0.256 366 Q C -2.195 173.831 176.000 0.044 0.000 0.972 366 Q CA -2.324 53.494 55.803 0.025 0.000 0.889 366 Q CB 0.948 29.706 28.738 0.032 0.000 1.281 366 Q HN -0.090 nan 8.270 nan 0.000 0.456 367 P HA -0.134 nan 4.420 nan 0.000 0.259 367 P C -0.859 176.511 177.300 0.116 0.000 1.163 367 P CA 0.524 63.670 63.100 0.077 0.000 0.760 367 P CB 0.185 31.914 31.700 0.048 0.000 0.762 368 W N 5.732 127.004 121.300 -0.048 0.000 2.317 368 W HA 0.494 5.154 4.660 0.000 0.000 0.327 368 W C 0.485 176.986 176.519 -0.030 0.000 1.036 368 W CA 1.043 58.360 57.345 -0.047 0.000 1.419 368 W CB 0.095 29.518 29.460 -0.062 0.000 1.253 368 W HN 0.824 nan 8.180 nan 0.000 0.392 369 G N 5.988 114.573 108.800 -0.359 0.000 2.796 369 G HA2 -0.259 3.702 3.960 0.000 0.000 0.571 369 G HA3 -0.259 3.702 3.960 0.000 0.000 0.571 369 G C -1.310 173.495 174.900 -0.157 0.000 1.370 369 G CA -0.459 44.407 45.100 -0.389 0.000 0.856 369 G HN 0.373 nan 8.290 nan 0.000 0.538 370 P HA 0.017 nan 4.420 nan 0.000 0.220 370 P C 0.663 177.946 177.300 -0.029 0.000 1.148 370 P CA 1.563 64.622 63.100 -0.067 0.000 0.803 370 P CB 0.131 31.792 31.700 -0.064 0.000 0.782 371 E N -0.802 119.389 120.200 -0.015 0.000 3.105 371 E HA 0.388 4.738 4.350 0.000 0.000 0.219 371 E C 1.112 177.740 176.600 0.047 0.000 1.064 371 E CA -0.383 56.026 56.400 0.015 0.000 1.342 371 E CB 0.419 30.133 29.700 0.023 0.000 1.295 371 E HN 0.059 nan 8.360 nan 0.000 0.438 372 A N 1.295 124.149 122.820 0.057 0.000 1.877 372 A HA -0.165 4.155 4.320 0.000 0.000 0.216 372 A C 1.217 178.841 177.584 0.066 0.000 1.186 372 A CA 1.055 53.156 52.037 0.105 0.000 0.620 372 A CB 0.039 19.099 19.000 0.101 0.000 0.822 372 A HN 0.333 nan 8.150 nan 0.000 0.443 373 E N 0.002 120.224 120.200 0.037 0.000 2.109 373 E HA 0.544 4.894 4.350 0.000 0.000 0.278 373 E C -1.417 175.181 176.600 -0.004 0.000 0.954 373 E CA -0.357 56.055 56.400 0.020 0.000 0.779 373 E CB 0.493 30.209 29.700 0.026 0.000 1.093 373 E HN 0.408 nan 8.360 nan 0.000 0.401 374 L N 5.909 127.115 121.223 -0.029 0.000 2.334 374 L HA 0.510 4.851 4.340 0.000 0.000 0.273 374 L C -2.255 174.565 176.870 -0.083 0.000 1.013 374 L CA -2.530 52.268 54.840 -0.069 0.000 0.816 374 L CB 1.858 43.852 42.059 -0.109 0.000 1.278 374 L HN 0.475 nan 8.230 nan 0.000 0.431 375 P HA 0.045 nan 4.420 nan 0.000 0.271 375 P C 0.416 177.590 177.300 -0.210 0.000 1.216 375 P CA -0.382 62.656 63.100 -0.104 0.000 0.776 375 P CB 0.869 32.514 31.700 -0.092 0.000 0.881 376 L N 3.857 124.990 121.223 -0.150 0.000 2.127 376 L HA -0.205 4.135 4.340 0.000 0.000 0.211 376 L C 2.314 178.785 176.870 -0.665 0.000 1.089 376 L CA 1.767 56.432 54.840 -0.292 0.000 0.757 376 L CB -1.114 40.870 42.059 -0.125 0.000 0.899 376 L HN 0.531 nan 8.230 nan 0.000 0.434 377 H N -2.001 116.805 119.070 -0.439 0.000 2.491 377 H HA -0.079 4.477 4.556 0.000 0.000 0.290 377 H C 1.620 176.809 175.328 -0.231 0.000 1.050 377 H CA 1.495 57.308 56.048 -0.392 0.000 1.309 377 H CB -0.830 28.998 29.762 0.110 0.000 1.392 377 H HN 0.522 nan 8.280 nan 0.000 0.554 378 T N -0.909 113.230 114.554 -0.691 0.000 3.088 378 T HA 0.119 4.469 4.350 0.000 0.000 0.259 378 T C 1.851 176.398 174.700 -0.254 0.000 1.122 378 T CA 0.152 61.999 62.100 -0.421 0.000 1.095 378 T CB -0.307 68.315 68.868 -0.411 0.000 0.930 378 T HN 0.302 nan 8.240 nan 0.000 0.508 379 L N -0.078 120.914 121.223 -0.385 0.000 2.667 379 L HA 0.422 4.762 4.340 0.000 0.000 0.232 379 L C -0.333 176.438 176.870 -0.164 0.000 1.138 379 L CA -0.570 54.097 54.840 -0.289 0.000 0.921 379 L CB -0.106 41.778 42.059 -0.291 0.000 1.180 379 L HN 0.140 nan 8.230 nan 0.000 0.487 380 F N 0.257 120.241 119.950 0.056 0.000 2.504 380 F HA 0.204 4.731 4.527 0.000 0.000 0.369 380 F C 0.624 176.506 175.800 0.137 0.000 1.082 380 F CA -1.066 56.983 58.000 0.082 0.000 1.216 380 F CB -0.493 38.669 39.000 0.269 0.000 1.108 380 F HN -0.057 nan 8.300 nan 0.000 0.554 381 F N 1.157 121.210 119.950 0.171 0.000 2.969 381 F HA -0.308 4.220 4.527 0.001 0.000 0.273 381 F C 0.397 176.187 175.800 -0.016 0.000 0.986 381 F CA 0.168 58.200 58.000 0.054 0.000 0.926 381 F CB -1.218 37.826 39.000 0.074 0.000 0.887 381 F HN 0.481 nan 8.300 nan 0.000 0.816 382 N N 0.680 119.396 118.700 0.027 0.000 2.626 382 N HA 0.284 5.024 4.740 0.000 0.000 0.242 382 N C 0.791 176.199 175.510 -0.170 0.000 1.005 382 N CA 0.429 53.438 53.050 -0.069 0.000 0.905 382 N CB 1.010 39.395 38.487 -0.170 0.000 1.128 382 N HN 0.262 nan 8.380 nan 0.000 0.512 383 T N -0.867 113.593 114.554 -0.157 0.000 3.022 383 T HA 0.027 4.377 4.350 0.000 0.000 0.250 383 T C 1.749 176.351 174.700 -0.164 0.000 1.060 383 T CA -0.356 61.579 62.100 -0.275 0.000 1.013 383 T CB -0.269 68.266 68.868 -0.556 0.000 0.982 383 T HN 0.616 nan 8.240 nan 0.000 0.508 384 W N 2.220 123.433 121.300 -0.144 0.000 2.467 384 W HA 0.119 4.779 4.660 0.000 0.000 0.275 384 W C 1.273 177.760 176.519 -0.053 0.000 1.239 384 W CA -0.122 57.162 57.345 -0.101 0.000 1.266 384 W CB -0.585 28.812 29.460 -0.104 0.000 1.112 384 W HN 0.063 nan 8.180 nan 0.000 0.576 385 R N 0.968 120.950 120.500 -0.863 0.000 2.280 385 R HA 0.035 4.376 4.340 0.000 0.000 0.207 385 R C 1.921 178.040 176.300 -0.302 0.000 1.043 385 R CA 0.784 56.414 56.100 -0.783 0.000 1.006 385 R CB -0.300 29.475 30.300 -0.876 0.000 0.885 385 R HN 0.410 nan 8.270 nan 0.000 0.467 386 I N -0.086 120.372 120.570 -0.186 0.000 2.512 386 I HA -0.140 4.030 4.170 0.000 0.000 0.247 386 I C 1.980 178.093 176.117 -0.006 0.000 1.094 386 I CA 0.487 61.757 61.300 -0.051 0.000 1.427 386 I CB -0.094 37.929 38.000 0.039 0.000 1.149 386 I HN -0.073 nan 8.210 nan 0.000 0.438 387 I N 1.057 121.597 120.570 -0.050 0.000 2.252 387 I HA -0.214 3.956 4.170 0.000 0.000 0.245 387 I C 1.655 177.840 176.117 0.112 0.000 1.102 387 I CA 1.788 63.075 61.300 -0.020 0.000 1.385 387 I CB -0.894 37.127 38.000 0.034 0.000 1.064 387 I HN 0.253 nan 8.210 nan 0.000 0.414 388 K N -0.094 120.397 120.400 0.152 0.000 2.455 388 K HA 0.079 4.400 4.320 0.000 0.000 0.206 388 K C -0.141 176.592 176.600 0.223 0.000 1.027 388 K CA 0.084 56.499 56.287 0.214 0.000 1.113 388 K CB 0.761 33.441 32.500 0.299 0.000 0.850 388 K HN -0.001 nan 8.250 nan 0.000 0.503 389 D N -0.170 120.328 120.400 0.164 0.000 3.216 389 D HA 0.149 4.789 4.640 0.000 0.000 0.348 389 D C 0.401 176.805 176.300 0.172 0.000 1.407 389 D CA 0.359 54.486 54.000 0.213 0.000 0.744 389 D CB 0.564 41.427 40.800 0.106 0.000 1.264 389 D HN 0.279 nan 8.370 nan 0.000 0.543 390 G N -0.204 108.690 108.800 0.157 0.000 2.201 390 G HA2 0.113 4.074 3.960 0.000 0.000 0.212 390 G HA3 0.113 4.074 3.960 0.000 0.000 0.212 390 G C 0.953 175.789 174.900 -0.106 0.000 0.994 390 G CA 0.383 45.446 45.100 -0.060 0.000 0.644 390 G HN 1.259 nan 8.290 nan 0.000 0.508 391 G N -0.375 108.421 108.800 -0.007 0.000 2.632 391 G HA2 0.073 4.033 3.960 0.000 0.000 0.224 391 G HA3 0.073 4.033 3.960 0.000 0.000 0.224 391 G C 0.843 175.742 174.900 -0.001 0.000 1.341 391 G CA 1.000 46.146 45.100 0.078 0.000 0.880 391 G HN 1.770 nan 8.290 nan 0.000 0.566 392 I N -2.807 117.777 120.570 0.022 0.000 3.645 392 I HA 0.359 4.529 4.170 0.000 0.000 0.300 392 I C 1.596 177.664 176.117 -0.081 0.000 1.260 392 I CA 1.497 62.789 61.300 -0.014 0.000 1.365 392 I CB 0.088 38.103 38.000 0.025 0.000 1.077 392 I HN 0.294 nan 8.210 nan 0.000 0.439 393 D N 2.610 122.950 120.400 -0.101 0.000 2.092 393 D HA -0.100 4.540 4.640 0.000 0.000 0.193 393 D C -0.294 175.862 176.300 -0.241 0.000 0.994 393 D CA 1.851 55.768 54.000 -0.139 0.000 0.828 393 D CB -1.605 39.134 40.800 -0.101 0.000 0.963 393 D HN 0.308 nan 8.370 nan 0.000 0.450 394 P HA -0.075 nan 4.420 nan 0.000 0.218 394 P C 1.481 178.613 177.300 -0.279 0.000 1.148 394 P CA 0.875 63.687 63.100 -0.480 0.000 0.822 394 P CB 0.037 31.216 31.700 -0.868 0.000 0.784 395 L N -1.739 119.364 121.223 -0.200 0.000 2.131 395 L HA -0.076 4.264 4.340 0.000 0.000 0.206 395 L C 2.311 179.156 176.870 -0.042 0.000 1.087 395 L CA 0.896 55.674 54.840 -0.103 0.000 0.767 395 L CB -0.855 41.159 42.059 -0.075 0.000 0.917 395 L HN -0.170 nan 8.230 nan 0.000 0.441 396 V N -0.267 119.625 119.914 -0.037 0.000 2.427 396 V HA -0.218 3.902 4.120 0.000 0.000 0.248 396 V C 2.593 178.722 176.094 0.059 0.000 1.051 396 V CA 1.526 63.846 62.300 0.034 0.000 1.048 396 V CB -0.599 31.242 31.823 0.031 0.000 0.666 396 V HN 0.384 nan 8.190 nan 0.000 0.456 397 R N 0.230 120.707 120.500 -0.039 0.000 2.081 397 R HA -0.116 4.224 4.340 0.000 0.000 0.235 397 R C 2.481 178.843 176.300 0.104 0.000 1.131 397 R CA 1.497 57.569 56.100 -0.048 0.000 0.960 397 R CB -0.814 29.160 30.300 -0.544 0.000 0.856 397 R HN 0.593 nan 8.270 nan 0.000 0.436 398 G N 1.112 109.925 108.800 0.022 0.000 2.418 398 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 398 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 398 G C 1.449 176.413 174.900 0.108 0.000 1.158 398 G CA 0.374 45.514 45.100 0.066 0.000 0.771 398 G HN 0.143 nan 8.290 nan 0.000 0.545 399 L N -0.246 121.035 121.223 0.096 0.000 2.079 399 L HA -0.037 4.304 4.340 0.000 0.000 0.210 399 L C 2.852 179.792 176.870 0.115 0.000 1.081 399 L CA 0.688 55.583 54.840 0.092 0.000 0.752 399 L CB -0.227 41.881 42.059 0.082 0.000 0.896 399 L HN 0.222 nan 8.230 nan 0.000 0.433 400 L N -1.184 120.159 121.223 0.200 0.000 2.127 400 L HA -0.036 4.304 4.340 0.000 0.000 0.203 400 L C 2.475 179.530 176.870 0.309 0.000 1.080 400 L CA 0.947 55.935 54.840 0.246 0.000 0.768 400 L CB -0.470 41.832 42.059 0.405 0.000 0.924 400 L HN 0.156 nan 8.230 nan 0.000 0.444 401 A N -1.422 121.621 122.820 0.372 0.000 2.238 401 A HA 0.113 4.433 4.320 0.000 0.000 0.210 401 A C 0.835 178.548 177.584 0.215 0.000 1.179 401 A CA 0.248 52.490 52.037 0.341 0.000 0.827 401 A CB 0.093 19.296 19.000 0.339 0.000 0.856 401 A HN -0.003 nan 8.150 nan 0.000 0.488 402 K N 0.972 121.475 120.400 0.172 0.000 2.166 402 K HA 0.379 4.699 4.320 0.000 0.000 0.245 402 K C -0.982 175.691 176.600 0.122 0.000 0.967 402 K CA -0.745 55.621 56.287 0.132 0.000 0.863 402 K CB 0.687 33.253 32.500 0.110 0.000 1.107 402 K HN 0.141 nan 8.250 nan 0.000 0.436 403 N N 0.107 118.875 118.700 0.113 0.000 2.509 403 N HA 0.192 4.933 4.740 0.000 0.000 0.287 403 N C -0.239 175.349 175.510 0.131 0.000 1.121 403 N CA -0.157 52.962 53.050 0.114 0.000 0.977 403 N CB 1.100 39.646 38.487 0.099 0.000 1.167 403 N HN 0.319 nan 8.380 nan 0.000 0.476 404 S N 0.407 116.203 115.700 0.161 0.000 2.608 404 S HA 0.068 4.539 4.470 0.000 0.000 0.261 404 S C 0.513 175.214 174.600 0.169 0.000 1.314 404 S CA -0.357 57.960 58.200 0.195 0.000 0.992 404 S CB 0.746 64.128 63.200 0.303 0.000 0.935 404 S HN 0.379 nan 8.310 nan 0.000 0.564 405 K N 1.287 121.794 120.400 0.177 0.000 2.249 405 K HA 0.255 4.575 4.320 0.000 0.000 0.280 405 K C -0.693 176.004 176.600 0.160 0.000 1.033 405 K CA -0.505 55.876 56.287 0.158 0.000 0.946 405 K CB 0.372 32.976 32.500 0.173 0.000 1.005 405 K HN 0.378 nan 8.250 nan 0.000 0.469 406 L N 4.742 126.033 121.223 0.112 0.000 2.350 406 L HA 0.257 4.597 4.340 0.000 0.000 0.275 406 L C -0.161 176.754 176.870 0.075 0.000 1.099 406 L CA -0.280 54.619 54.840 0.099 0.000 0.808 406 L CB 0.956 43.049 42.059 0.057 0.000 1.149 406 L HN 0.761 nan 8.230 nan 0.000 0.442 407 M N 5.441 125.095 119.600 0.090 0.000 2.268 407 M HA 0.210 4.690 4.480 0.000 0.000 0.349 407 M C -0.838 175.464 176.300 0.003 0.000 1.485 407 M CA 0.803 56.138 55.300 0.057 0.000 1.094 407 M CB -0.538 32.107 32.600 0.075 0.000 1.843 407 M HN 0.634 nan 8.290 nan 0.000 0.460 408 N N 3.775 122.452 118.700 -0.039 0.000 2.296 408 N HA 0.263 5.003 4.740 0.000 0.000 0.294 408 N C -0.223 175.246 175.510 -0.068 0.000 1.033 408 N CA -0.246 52.763 53.050 -0.069 0.000 0.839 408 N CB 1.404 39.816 38.487 -0.126 0.000 1.395 408 N HN 0.849 nan 8.380 nan 0.000 0.479 409 Q N 1.097 120.867 119.800 -0.050 0.000 2.291 409 Q HA 0.022 4.363 4.340 0.000 0.000 0.205 409 Q C 0.462 176.440 176.000 -0.035 0.000 0.970 409 Q CA 1.091 56.868 55.803 -0.042 0.000 0.876 409 Q CB 0.261 28.978 28.738 -0.034 0.000 0.935 409 Q HN 0.541 nan 8.270 nan 0.000 0.455 410 N N 0.396 119.067 118.700 -0.049 0.000 2.325 410 N HA 0.037 4.777 4.740 0.000 0.000 0.182 410 N C -0.260 175.209 175.510 -0.069 0.000 1.088 410 N CA 0.484 53.513 53.050 -0.035 0.000 0.879 410 N CB 0.589 39.058 38.487 -0.030 0.000 0.983 410 N HN 0.082 nan 8.380 nan 0.000 0.471 411 K N 0.487 120.773 120.400 -0.191 0.000 2.827 411 K HA 0.372 4.692 4.320 0.000 0.000 0.186 411 K C 0.438 176.823 176.600 -0.358 0.000 1.093 411 K CA -0.069 55.887 56.287 -0.551 0.000 0.993 411 K CB 1.386 33.292 32.500 -0.990 0.000 1.199 411 K HN -0.103 nan 8.250 nan 0.000 0.598 412 M N 0.044 119.657 119.600 0.022 0.000 2.142 412 M HA 0.072 4.553 4.480 0.000 0.000 0.256 412 M C 0.475 176.931 176.300 0.261 0.000 1.098 412 M CA 1.055 56.421 55.300 0.110 0.000 1.151 412 M CB 0.431 33.088 32.600 0.096 0.000 1.299 412 M HN 0.052 nan 8.290 nan 0.000 0.431 413 V N 0.484 120.634 119.914 0.394 0.000 2.495 413 V HA 0.187 4.307 4.120 0.000 0.000 0.298 413 V C 0.067 176.398 176.094 0.395 0.000 1.031 413 V CA -0.790 61.749 62.300 0.398 0.000 0.871 413 V CB 1.562 33.603 31.823 0.363 0.000 0.988 413 V HN 0.324 nan 8.190 nan 0.000 0.432 414 T N 2.956 117.716 114.554 0.342 0.000 2.937 414 T HA -0.003 4.348 4.350 0.000 0.000 0.316 414 T C 1.439 176.132 174.700 -0.012 0.000 1.079 414 T CA 0.515 62.665 62.100 0.084 0.000 1.131 414 T CB 0.712 69.682 68.868 0.171 0.000 1.000 414 T HN 0.822 nan 8.240 nan 0.000 0.549 415 S N 3.226 118.825 115.700 -0.167 0.000 2.442 415 S HA -0.085 4.386 4.470 0.000 0.000 0.236 415 S C 1.922 176.536 174.600 0.025 0.000 1.007 415 S CA 0.652 58.802 58.200 -0.083 0.000 0.965 415 S CB -0.153 62.962 63.200 -0.141 0.000 0.773 415 S HN 0.707 nan 8.310 nan 0.000 0.504 416 E N 1.153 121.401 120.200 0.081 0.000 2.153 416 E HA -0.046 4.305 4.350 0.000 0.000 0.194 416 E C 1.775 178.572 176.600 0.328 0.000 0.988 416 E CA 0.837 57.359 56.400 0.202 0.000 0.811 416 E CB -0.203 29.622 29.700 0.209 0.000 0.746 416 E HN 0.496 nan 8.360 nan 0.000 0.466 417 L N -0.626 120.744 121.223 0.245 0.000 2.515 417 L HA 0.156 4.496 4.340 0.000 0.000 0.223 417 L C 2.454 179.396 176.870 0.121 0.000 1.079 417 L CA 0.097 55.056 54.840 0.199 0.000 0.857 417 L CB 0.107 42.256 42.059 0.150 0.000 1.050 417 L HN -0.075 nan 8.230 nan 0.000 0.476 418 R N -0.337 120.230 120.500 0.110 0.000 2.254 418 R HA 0.056 4.396 4.340 0.000 0.000 0.195 418 R C 1.129 177.470 176.300 0.068 0.000 0.957 418 R CA 0.547 56.699 56.100 0.088 0.000 1.024 418 R CB 0.406 30.758 30.300 0.086 0.000 0.952 418 R HN 0.326 nan 8.270 nan 0.000 0.484 419 N N -0.762 117.977 118.700 0.066 0.000 2.272 419 N HA 0.061 4.801 4.740 0.000 0.000 0.228 419 N C 0.045 175.601 175.510 0.078 0.000 1.206 419 N CA 0.356 53.429 53.050 0.039 0.000 0.855 419 N CB 0.821 39.298 38.487 -0.017 0.000 1.248 419 N HN -0.010 nan 8.380 nan 0.000 0.476 420 K N 0.841 121.324 120.400 0.138 0.000 2.537 420 K HA 0.253 4.573 4.320 0.000 0.000 0.206 420 K C -0.246 176.642 176.600 0.481 0.000 1.041 420 K CA -0.331 56.089 56.287 0.222 0.000 1.090 420 K CB 0.988 33.480 32.500 -0.013 0.000 0.833 420 K HN -0.062 nan 8.250 nan 0.000 0.493 421 L N 1.332 122.770 121.223 0.358 0.000 2.485 421 L HA 0.175 4.515 4.340 0.000 0.000 0.275 421 L C -0.517 176.522 176.870 0.281 0.000 1.207 421 L CA 0.183 55.151 54.840 0.215 0.000 0.855 421 L CB 0.184 42.257 42.059 0.024 0.000 1.114 421 L HN 0.016 nan 8.230 nan 0.000 0.485 422 F N 4.464 124.396 119.950 -0.029 0.000 2.420 422 F HA 0.443 4.970 4.527 0.000 0.000 0.342 422 F C -0.260 175.454 175.800 -0.143 0.000 1.113 422 F CA -0.339 57.622 58.000 -0.066 0.000 1.059 422 F CB 0.935 39.877 39.000 -0.097 0.000 1.128 422 F HN 0.445 nan 8.300 nan 0.000 0.475 423 Q N 7.932 127.263 119.800 -0.781 0.000 2.316 423 Q HA 0.257 4.597 4.340 0.000 0.000 0.264 423 Q C -1.878 173.559 176.000 -0.939 0.000 0.987 423 Q CA -1.911 53.459 55.803 -0.722 0.000 0.852 423 Q CB 1.992 30.177 28.738 -0.923 0.000 1.287 423 Q HN 0.423 nan 8.270 nan 0.000 0.448 424 P HA -0.205 nan 4.420 nan 0.000 0.216 424 P C 0.965 177.871 177.300 -0.658 0.000 1.154 424 P CA 1.655 64.265 63.100 -0.817 0.000 0.865 424 P CB 0.255 31.544 31.700 -0.684 0.000 0.789 425 T N -0.727 113.433 114.554 -0.657 0.000 2.737 425 T HA -0.082 4.268 4.350 0.000 0.000 0.265 425 T C 1.166 175.423 174.700 -0.737 0.000 1.038 425 T CA 1.106 62.786 62.100 -0.700 0.000 1.144 425 T CB -0.681 67.658 68.868 -0.881 0.000 0.866 425 T HN 0.272 nan 8.240 nan 0.000 0.434 426 H N 0.622 119.398 119.070 -0.491 0.000 2.490 426 H HA 0.376 4.932 4.556 0.000 0.000 0.354 426 H C 0.880 175.863 175.328 -0.575 0.000 1.365 426 H CA -0.105 55.720 56.048 -0.372 0.000 1.413 426 H CB 0.926 30.627 29.762 -0.102 0.000 1.631 426 H HN 0.135 nan 8.280 nan 0.000 0.607 427 K N 0.217 120.508 120.400 -0.181 0.000 2.367 427 K HA 0.136 4.456 4.320 0.000 0.000 0.195 427 K C 0.331 177.092 176.600 0.268 0.000 1.060 427 K CA 0.086 56.283 56.287 -0.151 0.000 1.022 427 K CB 0.839 33.361 32.500 0.037 0.000 0.894 427 K HN 0.321 nan 8.250 nan 0.000 0.540 428 V N -0.227 119.807 119.914 0.201 0.000 2.612 428 V HA 0.298 4.418 4.120 0.000 0.000 0.301 428 V C -0.380 175.960 176.094 0.411 0.000 1.046 428 V CA -0.891 61.619 62.300 0.350 0.000 0.946 428 V CB 1.117 33.064 31.823 0.207 0.000 1.003 428 V HN 0.133 nan 8.190 nan 0.000 0.459 429 H N 3.042 122.405 119.070 0.487 0.000 2.799 429 H HA 0.570 5.126 4.556 0.000 0.000 0.225 429 H C 0.973 176.474 175.328 0.289 0.000 1.904 429 H CA 0.452 56.805 56.048 0.508 0.000 1.344 429 H CB 0.294 30.365 29.762 0.515 0.000 1.744 429 H HN 1.020 nan 8.280 nan 0.000 0.542 430 G N 0.469 109.451 108.800 0.303 0.000 4.008 430 G HA2 0.077 4.038 3.960 0.000 0.000 0.278 430 G HA3 0.077 4.038 3.960 0.000 0.000 0.278 430 G C -0.222 174.663 174.900 -0.024 0.000 1.021 430 G CA -0.185 44.974 45.100 0.098 0.000 0.833 430 G HN 0.191 nan 8.290 nan 0.000 0.454 431 F N 0.724 120.700 119.950 0.043 0.000 2.368 431 F HA 0.545 5.072 4.527 0.000 0.000 0.315 431 F C 0.031 175.843 175.800 0.021 0.000 1.145 431 F CA -0.662 57.341 58.000 0.005 0.000 1.095 431 F CB 1.395 40.364 39.000 -0.052 0.000 1.286 431 F HN -0.118 nan 8.300 nan 0.000 0.530 432 D N 1.566 122.094 120.400 0.214 0.000 2.469 432 D HA 0.162 4.802 4.640 0.000 0.000 0.251 432 D C 0.475 176.812 176.300 0.063 0.000 1.173 432 D CA -0.371 53.697 54.000 0.113 0.000 0.882 432 D CB 1.312 42.164 40.800 0.086 0.000 1.129 432 D HN 0.363 nan 8.370 nan 0.000 0.549 433 L N 4.568 125.790 121.223 -0.001 0.000 2.083 433 L HA 0.011 4.351 4.340 0.000 0.000 0.209 433 L C 2.008 178.768 176.870 -0.184 0.000 1.083 433 L CA 2.285 57.049 54.840 -0.126 0.000 0.752 433 L CB -0.552 41.364 42.059 -0.239 0.000 0.899 433 L HN 0.517 nan 8.230 nan 0.000 0.433 434 A N -0.682 122.089 122.820 -0.081 0.000 1.873 434 A HA -0.083 4.238 4.320 0.000 0.000 0.215 434 A C 2.448 179.956 177.584 -0.127 0.000 1.186 434 A CA 1.751 53.730 52.037 -0.097 0.000 0.616 434 A CB -1.129 18.018 19.000 0.246 0.000 0.823 434 A HN 0.528 nan 8.150 nan 0.000 0.442 435 A N -0.110 122.691 122.820 -0.031 0.000 1.902 435 A HA -0.070 4.250 4.320 0.000 0.000 0.217 435 A C 2.120 179.634 177.584 -0.117 0.000 1.181 435 A CA 1.503 53.509 52.037 -0.051 0.000 0.623 435 A CB -0.628 18.355 19.000 -0.027 0.000 0.818 435 A HN 0.489 nan 8.150 nan 0.000 0.443 436 I N 0.110 120.642 120.570 -0.064 0.000 2.163 436 I HA -0.328 3.842 4.170 0.000 0.000 0.243 436 I C 2.303 178.416 176.117 -0.006 0.000 1.085 436 I CA 1.699 63.020 61.300 0.035 0.000 1.347 436 I CB -0.603 37.486 38.000 0.148 0.000 1.044 436 I HN 0.460 nan 8.210 nan 0.000 0.408 437 N N 0.670 119.249 118.700 -0.202 0.000 2.061 437 N HA -0.204 4.536 4.740 0.000 0.000 0.193 437 N C 1.919 177.319 175.510 -0.183 0.000 1.030 437 N CA 1.198 54.045 53.050 -0.338 0.000 0.856 437 N CB -0.155 37.637 38.487 -1.157 0.000 1.023 437 N HN 0.271 nan 8.380 nan 0.000 0.424 438 L N 0.388 121.518 121.223 -0.155 0.000 2.109 438 L HA -0.135 4.205 4.340 0.000 0.000 0.207 438 L C 2.557 179.407 176.870 -0.034 0.000 1.086 438 L CA 0.787 55.627 54.840 -0.000 0.000 0.760 438 L CB -0.240 41.881 42.059 0.104 0.000 0.910 438 L HN 0.170 nan 8.230 nan 0.000 0.437 439 Q N 0.300 120.010 119.800 -0.149 0.000 2.119 439 Q HA -0.222 4.118 4.340 0.000 0.000 0.201 439 Q C 2.239 178.243 176.000 0.006 0.000 0.972 439 Q CA 1.495 57.124 55.803 -0.290 0.000 0.847 439 Q CB -0.015 28.166 28.738 -0.928 0.000 0.903 439 Q HN 0.112 nan 8.270 nan 0.000 0.433 440 R N -0.995 119.609 120.500 0.173 0.000 2.115 440 R HA -0.028 4.312 4.340 0.000 0.000 0.230 440 R C 2.117 178.554 176.300 0.228 0.000 1.111 440 R CA 1.387 57.769 56.100 0.469 0.000 0.976 440 R CB -0.869 29.747 30.300 0.527 0.000 0.870 440 R HN 0.398 nan 8.270 nan 0.000 0.445 441 C N -0.036 119.139 119.300 -0.209 0.000 2.393 441 C HA -0.116 4.345 4.460 0.000 0.000 0.276 441 C C 2.501 177.419 174.990 -0.120 0.000 1.215 441 C CA 1.267 59.915 59.018 -0.617 0.000 1.743 441 C CB -0.837 26.649 27.740 -0.424 0.000 2.044 441 C HN 0.526 nan 8.230 nan 0.000 0.464 442 R N 0.478 121.031 120.500 0.088 0.000 2.081 442 R HA -0.134 4.206 4.340 0.000 0.000 0.235 442 R C 1.912 178.380 176.300 0.280 0.000 1.131 442 R CA 1.847 58.081 56.100 0.224 0.000 0.960 442 R CB -0.552 29.953 30.300 0.342 0.000 0.856 442 R HN 0.542 nan 8.270 nan 0.000 0.436 443 D N 0.291 120.942 120.400 0.418 0.000 2.123 443 D HA -0.188 4.452 4.640 0.000 0.000 0.196 443 D C 1.382 177.952 176.300 0.451 0.000 0.992 443 D CA 1.381 55.666 54.000 0.476 0.000 0.833 443 D CB -0.100 41.121 40.800 0.703 0.000 0.954 443 D HN 0.378 nan 8.370 nan 0.000 0.455 444 H N -1.194 118.035 119.070 0.266 0.000 2.556 444 H HA 0.189 4.746 4.556 0.000 0.000 0.268 444 H C 0.983 176.314 175.328 0.005 0.000 0.996 444 H CA 0.327 56.522 56.048 0.244 0.000 1.157 444 H CB 0.117 30.147 29.762 0.447 0.000 1.355 444 H HN 0.305 nan 8.280 nan 0.000 0.597 445 G N 1.705 110.401 108.800 -0.173 0.000 2.295 445 G HA2 -0.272 3.688 3.960 0.000 0.000 0.287 445 G HA3 -0.272 3.688 3.960 0.000 0.000 0.287 445 G C 0.227 174.978 174.900 -0.248 0.000 1.055 445 G CA -0.133 44.522 45.100 -0.742 0.000 0.922 445 G HN 0.136 nan 8.290 nan 0.000 0.503 446 M N 0.202 119.771 119.600 -0.050 0.000 2.219 446 M HA 0.209 4.689 4.480 0.000 0.000 0.353 446 M C -1.640 174.729 176.300 0.115 0.000 1.304 446 M CA -2.026 53.322 55.300 0.079 0.000 1.115 446 M CB 0.027 32.608 32.600 -0.031 0.000 1.664 446 M HN 0.006 nan 8.290 nan 0.000 0.459 447 P HA 0.122 nan 4.420 nan 0.000 0.270 447 P C 0.336 177.695 177.300 0.097 0.000 1.223 447 P CA -0.140 62.951 63.100 -0.015 0.000 0.785 447 P CB 0.418 31.879 31.700 -0.398 0.000 0.923 448 G N 0.142 108.943 108.800 0.002 0.000 2.683 448 G HA2 -0.067 3.893 3.960 0.000 0.000 0.260 448 G HA3 -0.067 3.893 3.960 0.000 0.000 0.260 448 G C 0.361 175.378 174.900 0.196 0.000 1.238 448 G CA -0.136 45.007 45.100 0.072 0.000 0.934 448 G HN 0.470 nan 8.290 nan 0.000 0.534 449 Y N 0.395 120.726 120.300 0.052 0.000 2.081 449 Y HA -0.233 4.318 4.550 0.000 0.000 0.280 449 Y C 2.681 178.643 175.900 0.104 0.000 1.163 449 Y CA 2.585 60.739 58.100 0.089 0.000 1.135 449 Y CB -0.184 38.259 38.460 -0.029 0.000 0.970 449 Y HN 0.428 nan 8.280 nan 0.000 0.498 450 N N -0.326 118.362 118.700 -0.020 0.000 2.309 450 N HA -0.141 4.599 4.740 0.000 0.000 0.182 450 N C 1.990 177.440 175.510 -0.101 0.000 1.018 450 N CA 1.340 54.319 53.050 -0.118 0.000 0.876 450 N CB -0.388 38.087 38.487 -0.018 0.000 0.972 450 N HN 0.339 nan 8.380 nan 0.000 0.434 451 S N -0.337 115.289 115.700 -0.124 0.000 2.368 451 S HA -0.095 4.375 4.470 0.000 0.000 0.225 451 S C 1.623 176.091 174.600 -0.221 0.000 1.030 451 S CA 0.856 58.918 58.200 -0.231 0.000 0.999 451 S CB -0.288 62.670 63.200 -0.403 0.000 0.844 451 S HN 0.509 nan 8.310 nan 0.000 0.459 452 W N 1.729 123.025 121.300 -0.006 0.000 2.436 452 W HA 0.082 4.743 4.660 0.000 0.000 0.284 452 W C 2.516 179.063 176.519 0.047 0.000 1.225 452 W CA -0.198 57.171 57.345 0.039 0.000 1.271 452 W CB -0.053 29.402 29.460 -0.008 0.000 1.114 452 W HN 0.075 nan 8.180 nan 0.000 0.559 453 R N 0.092 120.635 120.500 0.070 0.000 2.073 453 R HA -0.100 4.241 4.340 0.000 0.000 0.234 453 R C 2.348 178.679 176.300 0.052 0.000 1.134 453 R CA 1.633 57.712 56.100 -0.036 0.000 0.952 453 R CB -1.561 28.588 30.300 -0.252 0.000 0.850 453 R HN 0.346 nan 8.270 nan 0.000 0.433 454 G N 0.325 109.150 108.800 0.042 0.000 2.418 454 G HA2 -0.289 3.671 3.960 0.000 0.000 0.217 454 G HA3 -0.289 3.671 3.960 0.000 0.000 0.217 454 G C 1.381 176.344 174.900 0.105 0.000 1.158 454 G CA 0.388 45.516 45.100 0.048 0.000 0.771 454 G HN 0.316 nan 8.290 nan 0.000 0.545 455 F N 0.984 120.949 119.950 0.025 0.000 2.192 455 F HA -0.143 4.384 4.527 0.001 0.000 0.301 455 F C 1.934 177.811 175.800 0.128 0.000 1.079 455 F CA 1.173 59.225 58.000 0.087 0.000 1.303 455 F CB -0.033 39.082 39.000 0.192 0.000 1.024 455 F HN 0.154 nan 8.300 nan 0.000 0.494 456 c N 0.748 119.458 118.600 0.184 0.000 2.780 456 c HA 0.451 5.022 4.570 0.000 0.000 0.287 456 c C 1.660 175.823 174.090 0.121 0.000 1.288 456 c CA 0.347 56.750 56.329 0.123 0.000 1.713 456 c CB -1.130 41.497 42.510 0.195 0.000 1.955 456 c HN 0.845 nan 8.230 nan 0.000 0.613 457 G N 1.436 110.271 108.800 0.058 0.000 2.225 457 G HA2 -0.250 3.711 3.960 0.000 0.000 0.267 457 G HA3 -0.250 3.711 3.960 0.000 0.000 0.267 457 G C -0.152 174.779 174.900 0.051 0.000 1.024 457 G CA 0.246 45.372 45.100 0.043 0.000 0.784 457 G HN 0.558 nan 8.290 nan 0.000 0.507 458 L N 0.566 121.821 121.223 0.053 0.000 2.334 458 L HA 0.656 4.996 4.340 0.000 0.000 0.270 458 L C 1.357 178.233 176.870 0.011 0.000 1.018 458 L CA -0.510 54.353 54.840 0.038 0.000 0.811 458 L CB 1.700 43.784 42.059 0.041 0.000 1.271 458 L HN 0.372 nan 8.230 nan 0.000 0.443 459 S N 1.047 116.755 115.700 0.013 0.000 2.558 459 S HA 0.090 4.560 4.470 0.000 0.000 0.288 459 S C -0.338 174.258 174.600 -0.006 0.000 1.318 459 S CA -0.438 57.767 58.200 0.009 0.000 1.056 459 S CB 0.405 63.617 63.200 0.019 0.000 0.853 459 S HN 0.609 nan 8.310 nan 0.000 0.505 460 Q N 2.769 122.568 119.800 -0.002 0.000 2.425 460 Q HA 0.393 4.733 4.340 0.000 0.000 0.254 460 Q C -2.574 173.443 176.000 0.029 0.000 1.032 460 Q CA -1.897 53.902 55.803 -0.007 0.000 0.798 460 Q CB 1.210 29.939 28.738 -0.015 0.000 1.210 460 Q HN 0.544 nan 8.270 nan 0.000 0.491 461 P HA 0.027 nan 4.420 nan 0.000 0.271 461 P C 0.035 177.372 177.300 0.063 0.000 1.216 461 P CA -0.220 62.922 63.100 0.071 0.000 0.771 461 P CB 1.018 32.782 31.700 0.106 0.000 0.864 462 K N 0.078 120.506 120.400 0.046 0.000 2.399 462 K HA 0.140 4.460 4.320 0.000 0.000 0.196 462 K C 0.902 177.522 176.600 0.033 0.000 1.117 462 K CA 0.804 57.116 56.287 0.042 0.000 0.965 462 K CB 0.245 32.767 32.500 0.038 0.000 0.983 462 K HN 0.607 nan 8.250 nan 0.000 0.531 463 T N -1.754 112.816 114.554 0.028 0.000 2.910 463 T HA 0.293 4.643 4.350 0.000 0.000 0.287 463 T C 1.072 175.780 174.700 0.013 0.000 1.050 463 T CA -0.800 61.310 62.100 0.017 0.000 1.011 463 T CB 1.215 70.094 68.868 0.017 0.000 1.195 463 T HN -0.125 nan 8.240 nan 0.000 0.540 464 L N 0.727 121.953 121.223 0.004 0.000 2.012 464 L HA 0.095 4.436 4.340 0.000 0.000 0.210 464 L C 2.516 179.391 176.870 0.008 0.000 1.073 464 L CA 2.052 56.892 54.840 0.001 0.000 0.748 464 L CB -1.056 41.001 42.059 -0.004 0.000 0.891 464 L HN 0.832 nan 8.230 nan 0.000 0.431 465 K N -0.347 120.059 120.400 0.010 0.000 2.074 465 K HA -0.111 4.209 4.320 0.000 0.000 0.209 465 K C 1.980 178.590 176.600 0.018 0.000 1.048 465 K CA 1.650 57.944 56.287 0.013 0.000 0.926 465 K CB -0.972 31.535 32.500 0.013 0.000 0.713 465 K HN 0.482 nan 8.250 nan 0.000 0.444 466 G N 0.346 109.160 108.800 0.023 0.000 2.402 466 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 466 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 466 G C 1.391 176.315 174.900 0.042 0.000 1.162 466 G CA 0.821 45.940 45.100 0.032 0.000 0.777 466 G HN 0.297 nan 8.290 nan 0.000 0.539 467 L N 0.305 121.551 121.223 0.038 0.000 2.156 467 L HA 0.072 4.413 4.340 0.000 0.000 0.208 467 L C 2.898 179.783 176.870 0.025 0.000 1.095 467 L CA 1.599 56.464 54.840 0.040 0.000 0.770 467 L CB -0.456 41.614 42.059 0.017 0.000 0.914 467 L HN 0.281 nan 8.230 nan 0.000 0.439 468 Q N -0.905 118.904 119.800 0.016 0.000 2.135 468 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 468 Q C 2.226 178.236 176.000 0.016 0.000 0.981 468 Q CA 1.630 57.439 55.803 0.011 0.000 0.856 468 Q CB -0.323 28.419 28.738 0.008 0.000 0.902 468 Q HN 0.675 nan 8.270 nan 0.000 0.425 469 A N -0.002 122.832 122.820 0.023 0.000 1.969 469 A HA -0.100 4.220 4.320 0.000 0.000 0.218 469 A C 2.224 179.827 177.584 0.032 0.000 1.169 469 A CA 1.104 53.155 52.037 0.024 0.000 0.635 469 A CB -0.308 18.707 19.000 0.025 0.000 0.810 469 A HN 0.200 nan 8.150 nan 0.000 0.445 470 V N -0.743 119.198 119.914 0.045 0.000 2.331 470 V HA -0.112 4.008 4.120 0.000 0.000 0.242 470 V C 2.263 178.387 176.094 0.050 0.000 1.034 470 V CA 1.457 63.795 62.300 0.063 0.000 1.027 470 V CB -0.610 31.279 31.823 0.111 0.000 0.667 470 V HN 0.442 nan 8.190 nan 0.000 0.457 471 L N -0.242 121.001 121.223 0.034 0.000 2.395 471 L HA 0.088 4.428 4.340 0.000 0.000 0.218 471 L C 1.365 178.237 176.870 0.004 0.000 1.130 471 L CA 1.058 55.904 54.840 0.010 0.000 0.826 471 L CB -0.996 41.053 42.059 -0.017 0.000 0.941 471 L HN 0.382 nan 8.230 nan 0.000 0.451 472 K N -0.010 120.396 120.400 0.009 0.000 3.088 472 K HA -0.241 4.079 4.320 0.000 0.000 0.273 472 K C 0.060 176.660 176.600 0.000 0.000 1.111 472 K CA 0.677 56.968 56.287 0.006 0.000 0.803 472 K CB -1.589 30.915 32.500 0.006 0.000 1.226 472 K HN 0.341 nan 8.250 nan 0.000 0.485 473 N N 0.333 119.032 118.700 -0.002 0.000 2.599 473 N HA 0.168 4.908 4.740 0.000 0.000 0.283 473 N C 0.127 175.634 175.510 -0.005 0.000 1.160 473 N CA -0.553 52.494 53.050 -0.005 0.000 0.869 473 N CB 1.231 39.712 38.487 -0.010 0.000 1.448 473 N HN -0.040 nan 8.380 nan 0.000 0.535 474 K N 1.005 121.404 120.400 -0.002 0.000 2.097 474 K HA -0.024 4.297 4.320 0.000 0.000 0.205 474 K C 1.505 178.103 176.600 -0.003 0.000 1.050 474 K CA 1.306 57.592 56.287 -0.001 0.000 0.938 474 K CB 0.246 32.746 32.500 0.000 0.000 0.718 474 K HN 0.272 nan 8.250 nan 0.000 0.442 475 V N 1.439 121.352 119.914 -0.003 0.000 2.358 475 V HA -0.210 3.910 4.120 0.000 0.000 0.246 475 V C 2.144 178.236 176.094 -0.003 0.000 1.047 475 V CA 1.333 63.632 62.300 -0.002 0.000 1.035 475 V CB -0.412 31.411 31.823 0.000 0.000 0.658 475 V HN 0.227 nan 8.190 nan 0.000 0.452 476 L N 0.957 122.175 121.223 -0.007 0.000 2.056 476 L HA 0.004 4.344 4.340 0.000 0.000 0.207 476 L C 2.436 179.297 176.870 -0.015 0.000 1.078 476 L CA 2.197 57.030 54.840 -0.011 0.000 0.749 476 L CB -0.870 41.176 42.059 -0.021 0.000 0.901 476 L HN 0.209 nan 8.230 nan 0.000 0.433 477 A N -0.666 122.144 122.820 -0.017 0.000 1.933 477 A HA -0.247 4.073 4.320 0.000 0.000 0.218 477 A C 2.429 180.006 177.584 -0.012 0.000 1.175 477 A CA 1.909 53.935 52.037 -0.020 0.000 0.628 477 A CB -0.530 18.462 19.000 -0.013 0.000 0.814 477 A HN 0.501 nan 8.150 nan 0.000 0.444 478 K N -0.158 120.237 120.400 -0.008 0.000 2.062 478 K HA -0.070 4.250 4.320 0.000 0.000 0.205 478 K C 1.998 178.595 176.600 -0.006 0.000 1.051 478 K CA 1.421 57.704 56.287 -0.008 0.000 0.941 478 K CB -0.154 32.342 32.500 -0.007 0.000 0.719 478 K HN 0.382 nan 8.250 nan 0.000 0.440 479 K N 0.290 120.689 120.400 -0.002 0.000 2.057 479 K HA -0.146 4.174 4.320 0.000 0.000 0.207 479 K C 2.021 178.629 176.600 0.014 0.000 1.049 479 K CA 1.111 57.399 56.287 0.001 0.000 0.931 479 K CB -0.119 32.385 32.500 0.006 0.000 0.714 479 K HN 0.068 nan 8.250 nan 0.000 0.440 480 L N 1.005 122.246 121.223 0.031 0.000 2.093 480 L HA -0.103 4.237 4.340 0.000 0.000 0.208 480 L C 1.876 178.823 176.870 0.129 0.000 1.085 480 L CA 1.485 56.383 54.840 0.097 0.000 0.755 480 L CB -0.216 41.864 42.059 0.034 0.000 0.904 480 L HN 0.165 nan 8.230 nan 0.000 0.435 481 L N -1.399 119.849 121.223 0.041 0.000 2.270 481 L HA -0.107 4.233 4.340 0.000 0.000 0.210 481 L C 1.831 178.682 176.870 -0.031 0.000 1.104 481 L CA 0.514 55.360 54.840 0.010 0.000 0.804 481 L CB -0.452 41.593 42.059 -0.023 0.000 0.937 481 L HN 0.199 nan 8.230 nan 0.000 0.450 482 D N 0.172 120.554 120.400 -0.031 0.000 2.218 482 D HA -0.132 4.508 4.640 0.000 0.000 0.204 482 D C 2.251 178.506 176.300 -0.076 0.000 0.976 482 D CA 1.108 55.078 54.000 -0.050 0.000 0.853 482 D CB 0.124 40.903 40.800 -0.036 0.000 0.939 482 D HN 0.247 nan 8.370 nan 0.000 0.481 483 L N -1.289 119.878 121.223 -0.093 0.000 2.130 483 L HA -0.051 4.290 4.340 0.000 0.000 0.200 483 L C 1.732 178.451 176.870 -0.253 0.000 1.075 483 L CA 0.651 55.367 54.840 -0.206 0.000 0.768 483 L CB -0.167 41.702 42.059 -0.316 0.000 0.933 483 L HN 0.007 nan 8.230 nan 0.000 0.451 484 Y N -0.333 119.920 120.300 -0.078 0.000 2.517 484 Y HA 0.001 4.551 4.550 0.000 0.000 0.281 484 Y C 1.248 177.039 175.900 -0.182 0.000 1.125 484 Y CA -0.227 57.820 58.100 -0.089 0.000 1.283 484 Y CB 0.264 38.682 38.460 -0.070 0.000 1.042 484 Y HN 0.005 nan 8.280 nan 0.000 0.547 485 K N -0.672 119.644 120.400 -0.140 0.000 3.507 485 K HA -0.266 4.055 4.320 0.000 0.000 0.287 485 K C 0.443 176.768 176.600 -0.458 0.000 0.922 485 K CA 1.720 57.735 56.287 -0.452 0.000 1.216 485 K CB -1.853 30.066 32.500 -0.969 0.000 1.428 485 K HN 0.388 nan 8.250 nan 0.000 0.453 486 T N -0.816 113.607 114.554 -0.220 0.000 3.012 486 T HA 0.456 4.806 4.350 0.000 0.000 0.330 486 T C -2.608 172.086 174.700 -0.011 0.000 1.321 486 T CA -1.230 60.815 62.100 -0.092 0.000 1.067 486 T CB 2.228 71.091 68.868 -0.009 0.000 1.235 486 T HN -0.250 nan 8.240 nan 0.000 0.479 487 P HA 0.012 nan 4.420 nan 0.000 0.222 487 P C 0.785 178.125 177.300 0.067 0.000 1.147 487 P CA 0.743 63.865 63.100 0.037 0.000 0.790 487 P CB 0.166 31.934 31.700 0.114 0.000 0.780 488 D N -0.993 119.440 120.400 0.055 0.000 2.221 488 D HA -0.121 4.519 4.640 0.000 0.000 0.204 488 D C 1.314 177.615 176.300 0.002 0.000 0.982 488 D CA 1.054 55.078 54.000 0.040 0.000 0.857 488 D CB -0.568 40.258 40.800 0.043 0.000 0.934 488 D HN 0.158 nan 8.370 nan 0.000 0.475 489 N N -0.177 118.518 118.700 -0.007 0.000 2.325 489 N HA 0.095 4.835 4.740 0.000 0.000 0.182 489 N C 0.332 175.735 175.510 -0.178 0.000 1.088 489 N CA -0.100 52.942 53.050 -0.014 0.000 0.879 489 N CB 0.489 39.050 38.487 0.123 0.000 0.983 489 N HN 0.232 nan 8.380 nan 0.000 0.471 490 I N 2.190 122.488 120.570 -0.454 0.000 2.742 490 I HA -0.105 4.066 4.170 0.000 0.000 0.287 490 I C 0.214 176.063 176.117 -0.448 0.000 1.186 490 I CA 0.332 61.030 61.300 -1.004 0.000 1.417 490 I CB 0.196 37.757 38.000 -0.732 0.000 1.377 490 I HN -0.095 nan 8.210 nan 0.000 0.556 491 D N 5.923 126.086 120.400 -0.395 0.000 2.443 491 D HA -0.047 4.594 4.640 0.000 0.000 0.239 491 D C 1.129 177.443 176.300 0.023 0.000 1.136 491 D CA -0.040 53.939 54.000 -0.036 0.000 0.879 491 D CB 1.416 42.285 40.800 0.115 0.000 1.195 491 D HN 0.434 nan 8.370 nan 0.000 0.443 492 I N 2.608 123.233 120.570 0.091 0.000 2.194 492 I HA -0.234 3.936 4.170 0.000 0.000 0.246 492 I C 1.911 178.108 176.117 0.133 0.000 1.093 492 I CA 1.408 62.787 61.300 0.131 0.000 1.355 492 I CB -0.238 37.784 38.000 0.037 0.000 1.046 492 I HN 0.633 nan 8.210 nan 0.000 0.413 493 W N 0.454 121.743 121.300 -0.019 0.000 2.358 493 W HA -0.232 4.429 4.660 0.001 0.000 0.303 493 W C 2.291 178.840 176.519 0.050 0.000 1.208 493 W CA 1.910 59.282 57.345 0.043 0.000 1.274 493 W CB -0.380 29.130 29.460 0.083 0.000 1.138 493 W HN 0.250 nan 8.180 nan 0.000 0.515 494 I N 0.701 121.278 120.570 0.011 0.000 2.500 494 I HA 0.088 4.259 4.170 0.000 0.000 0.252 494 I C 2.407 178.367 176.117 -0.261 0.000 1.142 494 I CA 1.980 63.147 61.300 -0.222 0.000 1.451 494 I CB -1.003 37.025 38.000 0.047 0.000 1.093 494 I HN 0.050 nan 8.210 nan 0.000 0.430 495 G N -0.184 108.473 108.800 -0.237 0.000 2.414 495 G HA2 -0.167 3.793 3.960 0.000 0.000 0.215 495 G HA3 -0.167 3.793 3.960 0.000 0.000 0.215 495 G C 1.702 176.517 174.900 -0.140 0.000 1.188 495 G CA 0.525 45.358 45.100 -0.446 0.000 0.783 495 G HN 0.502 nan 8.290 nan 0.000 0.537 496 G N 0.302 109.144 108.800 0.070 0.000 2.470 496 G HA2 -0.171 3.789 3.960 0.000 0.000 0.220 496 G HA3 -0.171 3.789 3.960 0.000 0.000 0.220 496 G C 1.636 176.514 174.900 -0.036 0.000 1.121 496 G CA 0.814 45.971 45.100 0.095 0.000 0.766 496 G HN 0.389 nan 8.290 nan 0.000 0.553 497 N N 0.542 119.141 118.700 -0.168 0.000 2.415 497 N HA 0.067 4.807 4.740 0.000 0.000 0.176 497 N C 2.329 177.742 175.510 -0.162 0.000 1.042 497 N CA 0.737 53.661 53.050 -0.211 0.000 0.902 497 N CB 0.136 38.351 38.487 -0.452 0.000 0.986 497 N HN 0.293 nan 8.380 nan 0.000 0.447 498 A N 1.035 123.756 122.820 -0.165 0.000 2.067 498 A HA -0.012 4.308 4.320 0.000 0.000 0.217 498 A C 0.824 178.366 177.584 -0.071 0.000 1.156 498 A CA 0.390 52.350 52.037 -0.129 0.000 0.683 498 A CB -0.089 18.810 19.000 -0.168 0.000 0.808 498 A HN 0.237 nan 8.150 nan 0.000 0.455 499 E N 0.952 121.131 120.200 -0.035 0.000 2.392 499 E HA 0.232 4.583 4.350 0.000 0.000 0.264 499 E C -2.428 174.170 176.600 -0.003 0.000 1.024 499 E CA -1.880 54.526 56.400 0.010 0.000 0.903 499 E CB 0.089 29.826 29.700 0.062 0.000 0.963 499 E HN 0.209 nan 8.360 nan 0.000 0.432 500 P HA -0.025 nan 4.420 nan 0.000 0.271 500 P C -0.525 176.774 177.300 -0.001 0.000 1.216 500 P CA 0.288 63.387 63.100 -0.001 0.000 0.776 500 P CB 0.474 32.176 31.700 0.004 0.000 0.881 501 M N 1.898 121.493 119.600 -0.008 0.000 2.245 501 M HA 0.088 4.568 4.480 0.000 0.000 0.344 501 M C 0.498 176.792 176.300 -0.010 0.000 1.170 501 M CA -0.309 54.983 55.300 -0.014 0.000 1.135 501 M CB 0.295 32.886 32.600 -0.015 0.000 1.574 501 M HN 0.160 nan 8.290 nan 0.000 0.452 502 V N 0.361 120.268 119.914 -0.012 0.000 2.924 502 V HA 0.171 4.291 4.120 0.000 0.000 0.305 502 V C 0.282 176.367 176.094 -0.015 0.000 1.073 502 V CA -0.859 61.438 62.300 -0.004 0.000 1.098 502 V CB 0.673 32.501 31.823 0.009 0.000 1.000 502 V HN 0.922 nan 8.190 nan 0.000 0.484 503 E N 3.350 123.542 120.200 -0.012 0.000 2.415 503 E HA 0.042 4.392 4.350 0.000 0.000 0.263 503 E C 0.267 176.849 176.600 -0.030 0.000 0.995 503 E CA -0.115 56.273 56.400 -0.020 0.000 0.915 503 E CB 0.150 29.841 29.700 -0.015 0.000 0.951 503 E HN 0.743 nan 8.360 nan 0.000 0.449 504 R N 0.883 121.358 120.500 -0.041 0.000 3.989 504 R HA -0.156 4.184 4.340 0.000 0.000 0.377 504 R C 0.006 176.261 176.300 -0.074 0.000 1.158 504 R CA 1.081 57.146 56.100 -0.058 0.000 1.035 504 R CB -2.293 27.974 30.300 -0.055 0.000 1.557 504 R HN 0.677 nan 8.270 nan 0.000 0.551 505 G N -1.014 107.748 108.800 -0.064 0.000 2.788 505 G HA2 0.648 4.609 3.960 0.000 0.000 0.293 505 G HA3 0.648 4.609 3.960 0.000 0.000 0.293 505 G C 0.338 175.202 174.900 -0.060 0.000 1.305 505 G CA -0.627 44.429 45.100 -0.074 0.000 1.005 505 G HN -0.022 nan 8.290 nan 0.000 0.496 506 R N -0.663 119.808 120.500 -0.049 0.000 2.565 506 R HA 0.247 4.587 4.340 0.000 0.000 0.347 506 R C 0.197 176.459 176.300 -0.064 0.000 1.010 506 R CA -0.020 56.089 56.100 0.014 0.000 1.126 506 R CB 0.385 30.806 30.300 0.201 0.000 1.331 506 R HN 0.510 nan 8.270 nan 0.000 0.552 507 V N -3.918 115.901 119.914 -0.158 0.000 3.141 507 V HA 0.913 5.033 4.120 0.000 0.000 0.312 507 V C 0.427 176.457 176.094 -0.106 0.000 1.157 507 V CA -1.091 61.085 62.300 -0.207 0.000 1.041 507 V CB 1.648 33.216 31.823 -0.425 0.000 1.071 507 V HN 0.042 nan 8.190 nan 0.000 0.441 508 G N -0.020 108.735 108.800 -0.075 0.000 2.543 508 G HA2 0.569 4.529 3.960 0.000 0.000 0.290 508 G HA3 0.569 4.529 3.960 0.000 0.000 0.290 508 G C -1.890 173.008 174.900 -0.003 0.000 1.310 508 G CA -1.003 44.084 45.100 -0.022 0.000 1.025 508 G HN 0.632 nan 8.290 nan 0.000 0.502 509 P HA -0.084 nan 4.420 nan 0.000 0.215 509 P C 2.088 179.425 177.300 0.060 0.000 1.153 509 P CA 0.347 63.491 63.100 0.073 0.000 0.853 509 P CB 0.127 31.877 31.700 0.084 0.000 0.788 510 L N -0.896 120.356 121.223 0.047 0.000 2.017 510 L HA -0.115 4.225 4.340 0.000 0.000 0.208 510 L C 2.231 179.091 176.870 -0.016 0.000 1.073 510 L CA 1.819 56.681 54.840 0.037 0.000 0.745 510 L CB -1.355 40.743 42.059 0.065 0.000 0.894 510 L HN -0.139 nan 8.230 nan 0.000 0.432 511 L N -0.763 120.438 121.223 -0.037 0.000 2.141 511 L HA -0.129 4.211 4.340 0.000 0.000 0.209 511 L C 2.624 179.412 176.870 -0.137 0.000 1.094 511 L CA 0.967 55.754 54.840 -0.088 0.000 0.763 511 L CB -0.891 41.098 42.059 -0.116 0.000 0.908 511 L HN 0.380 nan 8.230 nan 0.000 0.437 512 A N -0.768 121.977 122.820 -0.126 0.000 1.972 512 A HA -0.269 4.051 4.320 0.000 0.000 0.219 512 A C 2.500 179.863 177.584 -0.368 0.000 1.169 512 A CA 1.769 53.728 52.037 -0.130 0.000 0.635 512 A CB -1.078 17.928 19.000 0.011 0.000 0.810 512 A HN 0.604 nan 8.150 nan 0.000 0.446 513 c N -0.483 117.843 118.600 -0.458 0.000 2.508 513 c HA 0.024 4.594 4.570 0.000 0.000 0.280 513 c C 2.581 176.311 174.090 -0.600 0.000 1.262 513 c CA 1.132 56.843 56.329 -1.030 0.000 1.706 513 c CB -1.518 40.676 42.510 -0.527 0.000 2.078 513 c HN 0.574 nan 8.230 nan 0.000 0.480 514 L N 0.637 121.757 121.223 -0.172 0.000 2.042 514 L HA -0.150 4.190 4.340 0.000 0.000 0.210 514 L C 2.683 179.620 176.870 0.112 0.000 1.076 514 L CA 1.583 56.456 54.840 0.056 0.000 0.749 514 L CB -0.671 41.360 42.059 -0.046 0.000 0.893 514 L HN 0.428 nan 8.230 nan 0.000 0.432 515 L N -0.728 120.518 121.223 0.037 0.000 2.023 515 L HA -0.072 4.268 4.340 0.000 0.000 0.205 515 L C 2.760 179.772 176.870 0.236 0.000 1.073 515 L CA 1.356 56.308 54.840 0.188 0.000 0.745 515 L CB -1.265 40.849 42.059 0.092 0.000 0.900 515 L HN 0.276 nan 8.230 nan 0.000 0.435 516 G N 1.021 109.855 108.800 0.057 0.000 2.529 516 G HA2 -0.315 3.645 3.960 0.000 0.000 0.219 516 G HA3 -0.315 3.645 3.960 0.000 0.000 0.219 516 G C 1.605 176.629 174.900 0.206 0.000 1.177 516 G CA 1.187 46.365 45.100 0.130 0.000 0.773 516 G HN 0.478 nan 8.290 nan 0.000 0.573 517 R N 0.069 120.616 120.500 0.078 0.000 2.236 517 R HA 0.101 4.441 4.340 0.000 0.000 0.208 517 R C 2.192 178.632 176.300 0.234 0.000 1.036 517 R CA 1.421 57.618 56.100 0.163 0.000 1.001 517 R CB -0.277 30.041 30.300 0.031 0.000 0.896 517 R HN 0.446 nan 8.270 nan 0.000 0.464 518 Q N 0.704 120.658 119.800 0.257 0.000 2.137 518 Q HA -0.015 4.325 4.340 0.000 0.000 0.198 518 Q C 1.320 177.237 176.000 -0.139 0.000 0.960 518 Q CA 1.417 57.228 55.803 0.014 0.000 0.847 518 Q CB -0.138 28.276 28.738 -0.539 0.000 0.915 518 Q HN 0.338 nan 8.270 nan 0.000 0.448 519 F N 1.079 121.051 119.950 0.036 0.000 2.234 519 F HA -0.114 4.413 4.527 0.000 0.000 0.299 519 F C 2.362 178.329 175.800 0.279 0.000 1.087 519 F CA 1.515 59.595 58.000 0.134 0.000 1.340 519 F CB -0.427 38.572 39.000 -0.003 0.000 1.031 519 F HN 0.347 nan 8.300 nan 0.000 0.500 520 Q N -0.008 120.014 119.800 0.370 0.000 2.079 520 Q HA -0.215 4.125 4.340 0.000 0.000 0.200 520 Q C 1.897 177.988 176.000 0.152 0.000 0.974 520 Q CA 1.557 57.517 55.803 0.263 0.000 0.840 520 Q CB -0.729 28.143 28.738 0.223 0.000 0.898 520 Q HN 0.443 nan 8.270 nan 0.000 0.430 521 Q N 0.902 120.786 119.800 0.140 0.000 2.084 521 Q HA -0.112 4.229 4.340 0.000 0.000 0.202 521 Q C 2.321 178.387 176.000 0.110 0.000 0.978 521 Q CA 1.830 57.696 55.803 0.104 0.000 0.844 521 Q CB -0.309 28.497 28.738 0.113 0.000 0.898 521 Q HN 0.749 nan 8.270 nan 0.000 0.426 522 I N -1.965 118.671 120.570 0.110 0.000 2.830 522 I HA -0.124 4.047 4.170 0.000 0.000 0.263 522 I C 2.336 178.572 176.117 0.198 0.000 1.230 522 I CA 0.956 62.352 61.300 0.160 0.000 1.480 522 I CB -0.163 37.919 38.000 0.136 0.000 1.095 522 I HN 0.004 nan 8.210 nan 0.000 0.455 523 R N 1.355 121.849 120.500 -0.010 0.000 2.052 523 R HA -0.083 4.258 4.340 0.000 0.000 0.224 523 R C 1.775 177.917 176.300 -0.263 0.000 1.149 523 R CA 1.600 57.351 56.100 -0.582 0.000 0.962 523 R CB -0.141 29.574 30.300 -0.975 0.000 0.856 523 R HN 0.248 nan 8.270 nan 0.000 0.433 524 D N -0.251 120.122 120.400 -0.045 0.000 2.178 524 D HA -0.075 4.565 4.640 0.000 0.000 0.201 524 D C 1.362 177.784 176.300 0.204 0.000 0.980 524 D CA 1.470 55.521 54.000 0.085 0.000 0.842 524 D CB -0.235 40.580 40.800 0.025 0.000 0.948 524 D HN 0.528 nan 8.370 nan 0.000 0.472 525 G N -0.358 108.585 108.800 0.238 0.000 3.233 525 G HA2 -0.032 3.928 3.960 0.000 0.000 0.227 525 G HA3 -0.032 3.928 3.960 0.000 0.000 0.227 525 G C -0.119 175.142 174.900 0.602 0.000 1.175 525 G CA -0.237 45.080 45.100 0.362 0.000 0.781 525 G HN -0.018 nan 8.290 nan 0.000 0.542 526 D N -0.013 120.711 120.400 0.540 0.000 2.392 526 D HA 0.232 4.872 4.640 0.000 0.000 0.228 526 D C 1.372 177.703 176.300 0.053 0.000 1.074 526 D CA -0.729 53.521 54.000 0.416 0.000 0.838 526 D CB 1.322 42.443 40.800 0.535 0.000 1.067 526 D HN 0.059 nan 8.370 nan 0.000 0.511 527 R N 2.756 122.983 120.500 -0.454 0.000 2.148 527 R HA -0.039 4.301 4.340 0.000 0.000 0.227 527 R C 0.722 176.605 176.300 -0.695 0.000 1.103 527 R CA 1.156 56.601 56.100 -1.092 0.000 0.983 527 R CB 0.011 29.654 30.300 -1.095 0.000 0.874 527 R HN 0.371 nan 8.270 nan 0.000 0.451 528 F N -0.428 119.406 119.950 -0.192 0.000 2.639 528 F HA 0.152 4.679 4.527 0.000 0.000 0.300 528 F C 0.429 176.271 175.800 0.071 0.000 1.109 528 F CA -0.766 57.175 58.000 -0.098 0.000 1.335 528 F CB 0.099 39.016 39.000 -0.139 0.000 1.014 528 F HN 0.103 nan 8.300 nan 0.000 0.537 529 W N 2.812 124.157 121.300 0.075 0.000 2.231 529 W HA -0.123 4.537 4.660 0.000 0.000 0.341 529 W C 1.213 177.790 176.519 0.096 0.000 1.298 529 W CA -0.568 56.831 57.345 0.090 0.000 1.266 529 W CB 0.435 29.881 29.460 -0.022 0.000 1.172 529 W HN 0.490 nan 8.180 nan 0.000 0.568 530 W N 4.391 125.296 121.300 -0.658 0.000 2.465 530 W HA -0.116 4.544 4.660 0.000 0.000 0.268 530 W C 0.654 177.120 176.519 -0.088 0.000 1.242 530 W CA 1.146 58.376 57.345 -0.192 0.000 1.248 530 W CB -0.590 28.704 29.460 -0.278 0.000 1.118 530 W HN 0.473 nan 8.180 nan 0.000 0.587 531 E N 0.658 120.218 120.200 -1.066 0.000 2.447 531 E HA -0.077 4.273 4.350 0.000 0.000 0.195 531 E C 0.139 176.711 176.600 -0.046 0.000 1.028 531 E CA -0.263 55.671 56.400 -0.777 0.000 0.876 531 E CB -0.191 28.878 29.700 -1.052 0.000 0.885 531 E HN -0.013 nan 8.360 nan 0.000 0.500 532 N N 2.455 121.244 118.700 0.148 0.000 2.440 532 N HA 0.013 4.753 4.740 0.000 0.000 0.265 532 N C -2.646 172.924 175.510 0.101 0.000 1.239 532 N CA -1.433 51.776 53.050 0.265 0.000 0.909 532 N CB 0.589 39.204 38.487 0.213 0.000 1.066 532 N HN -0.208 nan 8.380 nan 0.000 0.474 533 P HA 0.119 nan 4.420 nan 0.000 0.264 533 P C 0.682 177.978 177.300 -0.007 0.000 1.193 533 P CA 0.523 63.646 63.100 0.038 0.000 0.763 533 P CB 0.571 32.291 31.700 0.032 0.000 0.810 534 G N 1.080 109.869 108.800 -0.019 0.000 2.232 534 G HA2 -0.276 3.684 3.960 0.000 0.000 0.226 534 G HA3 -0.276 3.684 3.960 0.000 0.000 0.226 534 G C 0.906 175.743 174.900 -0.105 0.000 0.996 534 G CA 0.185 45.249 45.100 -0.060 0.000 0.626 534 G HN 0.395 nan 8.290 nan 0.000 0.509 535 V N 0.001 119.848 119.914 -0.111 0.000 2.273 535 V HA 0.353 4.474 4.120 0.000 0.000 0.242 535 V C 1.270 177.137 176.094 -0.379 0.000 1.035 535 V CA 1.823 63.987 62.300 -0.227 0.000 1.013 535 V CB -0.348 31.368 31.823 -0.178 0.000 0.652 535 V HN 0.274 nan 8.190 nan 0.000 0.452 536 F N -0.282 119.692 119.950 0.040 0.000 2.538 536 F HA 0.495 5.022 4.527 0.000 0.000 0.325 536 F C 0.833 176.604 175.800 -0.048 0.000 1.066 536 F CA -0.742 57.258 58.000 0.001 0.000 0.946 536 F CB 1.374 40.417 39.000 0.072 0.000 1.199 536 F HN 0.001 nan 8.300 nan 0.000 0.473 537 T N -2.465 112.136 114.554 0.079 0.000 2.726 537 T HA 0.089 4.440 4.350 0.000 0.000 0.294 537 T C 0.958 175.672 174.700 0.023 0.000 1.013 537 T CA -0.395 61.708 62.100 0.005 0.000 0.996 537 T CB 1.007 69.837 68.868 -0.064 0.000 1.016 537 T HN 0.806 nan 8.240 nan 0.000 0.529 538 E N -0.021 120.186 120.200 0.012 0.000 2.106 538 E HA -0.136 4.214 4.350 0.000 0.000 0.192 538 E C 1.910 178.519 176.600 0.015 0.000 0.984 538 E CA 0.787 57.203 56.400 0.026 0.000 0.806 538 E CB -0.001 29.712 29.700 0.022 0.000 0.750 538 E HN 0.512 nan 8.360 nan 0.000 0.458 539 K N 0.301 120.689 120.400 -0.021 0.000 2.097 539 K HA -0.127 4.193 4.320 0.000 0.000 0.205 539 K C 2.190 178.746 176.600 -0.073 0.000 1.050 539 K CA 0.939 57.207 56.287 -0.032 0.000 0.938 539 K CB -0.092 32.383 32.500 -0.043 0.000 0.718 539 K HN 0.269 nan 8.250 nan 0.000 0.442 540 Q N 0.139 119.821 119.800 -0.195 0.000 2.083 540 Q HA -0.049 4.291 4.340 0.000 0.000 0.198 540 Q C 2.210 178.158 176.000 -0.086 0.000 0.969 540 Q CA 0.992 56.553 55.803 -0.403 0.000 0.838 540 Q CB 0.016 28.341 28.738 -0.688 0.000 0.900 540 Q HN 0.207 nan 8.270 nan 0.000 0.436 541 R N 0.592 121.115 120.500 0.038 0.000 2.081 541 R HA -0.140 4.201 4.340 0.000 0.000 0.235 541 R C 1.653 178.061 176.300 0.180 0.000 1.131 541 R CA 1.441 57.656 56.100 0.191 0.000 0.960 541 R CB -0.126 30.316 30.300 0.236 0.000 0.856 541 R HN 0.305 nan 8.270 nan 0.000 0.436 542 D N -0.021 120.448 120.400 0.116 0.000 2.123 542 D HA -0.100 4.540 4.640 0.000 0.000 0.196 542 D C 1.879 178.230 176.300 0.086 0.000 0.992 542 D CA 1.331 55.391 54.000 0.101 0.000 0.833 542 D CB -0.146 40.697 40.800 0.073 0.000 0.954 542 D HN 0.064 nan 8.370 nan 0.000 0.455 543 S N 0.202 115.961 115.700 0.098 0.000 2.387 543 S HA -0.005 4.465 4.470 0.000 0.000 0.226 543 S C 2.166 176.804 174.600 0.064 0.000 1.026 543 S CA 0.293 58.561 58.200 0.113 0.000 0.972 543 S CB -0.067 63.271 63.200 0.230 0.000 0.814 543 S HN 0.227 nan 8.310 nan 0.000 0.477 544 L N 1.350 122.594 121.223 0.035 0.000 2.201 544 L HA -0.083 4.257 4.340 0.000 0.000 0.212 544 L C 2.442 179.189 176.870 -0.205 0.000 1.105 544 L CA 0.908 55.670 54.840 -0.130 0.000 0.775 544 L CB -0.446 41.433 42.059 -0.299 0.000 0.913 544 L HN 0.339 nan 8.230 nan 0.000 0.440 545 Q N -0.121 119.627 119.800 -0.087 0.000 2.364 545 Q HA -0.160 4.181 4.340 0.000 0.000 0.207 545 Q C 1.568 177.553 176.000 -0.026 0.000 0.970 545 Q CA 0.925 56.703 55.803 -0.042 0.000 0.888 545 Q CB 0.095 28.891 28.738 0.098 0.000 0.951 545 Q HN 0.443 nan 8.270 nan 0.000 0.469 546 K N 0.491 120.880 120.400 -0.019 0.000 2.374 546 K HA 0.072 4.392 4.320 0.000 0.000 0.196 546 K C 0.316 176.912 176.600 -0.006 0.000 1.023 546 K CA -0.098 56.187 56.287 -0.003 0.000 1.103 546 K CB 0.661 33.166 32.500 0.008 0.000 0.848 546 K HN 0.059 nan 8.250 nan 0.000 0.528 547 V N 0.440 120.344 119.914 -0.016 0.000 2.740 547 V HA 0.188 4.308 4.120 0.000 0.000 0.303 547 V C -0.049 176.082 176.094 0.061 0.000 1.054 547 V CA -0.527 61.804 62.300 0.052 0.000 1.106 547 V CB 1.082 32.999 31.823 0.157 0.000 0.957 547 V HN 0.203 nan 8.190 nan 0.000 0.486 548 S N 2.915 118.693 115.700 0.130 0.000 2.556 548 S HA 0.545 5.015 4.470 0.000 0.000 0.271 548 S C -0.151 174.587 174.600 0.229 0.000 1.135 548 S CA -0.483 57.793 58.200 0.128 0.000 0.858 548 S CB 1.413 64.651 63.200 0.063 0.000 1.114 548 S HN 0.826 nan 8.310 nan 0.000 0.468 549 F N 2.391 122.391 119.950 0.083 0.000 2.269 549 F HA -0.061 4.466 4.527 0.000 0.000 0.301 549 F C 2.340 178.153 175.800 0.022 0.000 1.082 549 F CA 1.989 60.039 58.000 0.083 0.000 1.360 549 F CB -0.360 38.579 39.000 -0.102 0.000 1.041 549 F HN 0.670 nan 8.300 nan 0.000 0.512 550 S N 0.060 115.825 115.700 0.109 0.000 2.370 550 S HA -0.260 4.210 4.470 0.000 0.000 0.226 550 S C 1.967 176.528 174.600 -0.065 0.000 1.033 550 S CA 1.499 59.708 58.200 0.015 0.000 1.011 550 S CB -0.388 62.809 63.200 -0.005 0.000 0.852 550 S HN 0.308 nan 8.310 nan 0.000 0.457 551 R N 1.184 121.647 120.500 -0.062 0.000 2.075 551 R HA 0.060 4.400 4.340 0.000 0.000 0.232 551 R C 2.144 178.335 176.300 -0.182 0.000 1.126 551 R CA 0.910 56.952 56.100 -0.096 0.000 0.963 551 R CB -0.867 29.392 30.300 -0.068 0.000 0.858 551 R HN 0.382 nan 8.270 nan 0.000 0.435 552 L N 0.299 121.364 121.223 -0.264 0.000 2.012 552 L HA -0.118 4.222 4.340 0.000 0.000 0.210 552 L C 1.995 178.627 176.870 -0.397 0.000 1.073 552 L CA 1.814 56.403 54.840 -0.418 0.000 0.748 552 L CB -0.393 41.310 42.059 -0.594 0.000 0.891 552 L HN 0.290 nan 8.230 nan 0.000 0.431 553 I N -1.553 118.764 120.570 -0.422 0.000 2.194 553 I HA -0.402 3.768 4.170 0.000 0.000 0.246 553 I C 2.606 178.617 176.117 -0.176 0.000 1.093 553 I CA 1.571 62.708 61.300 -0.272 0.000 1.355 553 I CB -0.470 37.438 38.000 -0.153 0.000 1.046 553 I HN 0.445 nan 8.210 nan 0.000 0.413 554 c N 0.482 118.995 118.600 -0.145 0.000 2.475 554 c HA -0.101 4.469 4.570 0.000 0.000 0.279 554 c C 2.341 176.357 174.090 -0.123 0.000 1.322 554 c CA 0.756 57.025 56.329 -0.099 0.000 1.734 554 c CB -0.926 41.550 42.510 -0.058 0.000 2.005 554 c HN 0.479 nan 8.230 nan 0.000 0.495 555 D N 0.480 120.789 120.400 -0.152 0.000 2.312 555 D HA -0.026 4.614 4.640 0.000 0.000 0.211 555 D C 1.343 177.532 176.300 -0.184 0.000 0.964 555 D CA 0.976 54.881 54.000 -0.157 0.000 0.877 555 D CB -0.347 40.351 40.800 -0.169 0.000 0.924 555 D HN 0.557 nan 8.370 nan 0.000 0.515 556 N N -0.375 118.199 118.700 -0.211 0.000 2.171 556 N HA 0.019 4.760 4.740 0.000 0.000 0.212 556 N C 0.423 175.784 175.510 -0.249 0.000 1.184 556 N CA 0.208 53.124 53.050 -0.224 0.000 0.888 556 N CB 1.632 39.983 38.487 -0.227 0.000 1.038 556 N HN 0.223 nan 8.380 nan 0.000 0.517 557 T N -3.082 111.318 114.554 -0.257 0.000 2.693 557 T HA 0.390 4.740 4.350 0.000 0.000 0.278 557 T C -0.060 174.420 174.700 -0.366 0.000 0.994 557 T CA -0.421 61.513 62.100 -0.276 0.000 1.033 557 T CB 1.514 70.293 68.868 -0.149 0.000 1.342 557 T HN 0.018 nan 8.240 nan 0.000 0.538 558 H N -0.937 118.099 119.070 -0.056 0.000 2.486 558 H HA 0.489 5.046 4.556 0.000 0.000 0.284 558 H C -0.349 174.944 175.328 -0.058 0.000 1.103 558 H CA -0.420 55.593 56.048 -0.059 0.000 1.089 558 H CB -0.114 29.600 29.762 -0.081 0.000 1.603 558 H HN 0.316 nan 8.280 nan 0.000 0.557 559 I N 1.742 122.326 120.570 0.024 0.000 2.352 559 I HA 0.029 4.199 4.170 0.000 0.000 0.290 559 I C 1.066 177.223 176.117 0.067 0.000 1.036 559 I CA 0.063 61.380 61.300 0.029 0.000 1.336 559 I CB 1.404 39.417 38.000 0.021 0.000 1.407 559 I HN 0.291 nan 8.210 nan 0.000 0.497 560 T N 1.361 115.973 114.554 0.097 0.000 3.054 560 T HA 0.241 4.591 4.350 0.000 0.000 0.255 560 T C 0.565 175.360 174.700 0.157 0.000 1.035 560 T CA -0.176 61.985 62.100 0.103 0.000 0.941 560 T CB 0.164 69.082 68.868 0.084 0.000 1.026 560 T HN 0.277 nan 8.240 nan 0.000 0.533 561 K N 2.564 123.115 120.400 0.251 0.000 2.483 561 K HA 0.584 4.904 4.320 0.000 0.000 0.256 561 K C -0.837 176.074 176.600 0.519 0.000 0.961 561 K CA -0.491 56.017 56.287 0.369 0.000 0.873 561 K CB 2.318 35.097 32.500 0.465 0.000 1.107 561 K HN 0.307 nan 8.250 nan 0.000 0.432 562 V N 0.150 120.278 119.914 0.358 0.000 2.962 562 V HA 0.704 4.824 4.120 0.000 0.000 0.313 562 V C -2.723 173.311 176.094 -0.100 0.000 1.099 562 V CA -2.584 59.852 62.300 0.226 0.000 0.971 562 V CB 2.228 34.120 31.823 0.116 0.000 1.028 562 V HN 0.423 nan 8.190 nan 0.000 0.430 563 P HA 0.411 nan 4.420 nan 0.000 0.276 563 P C 0.765 177.893 177.300 -0.287 0.000 1.244 563 P CA -0.472 62.315 63.100 -0.522 0.000 0.801 563 P CB 1.691 32.960 31.700 -0.719 0.000 1.006 564 L N 0.621 121.654 121.223 -0.316 0.000 2.056 564 L HA -0.069 4.271 4.340 0.000 0.000 0.207 564 L C 1.061 177.633 176.870 -0.497 0.000 1.078 564 L CA 1.281 55.868 54.840 -0.421 0.000 0.749 564 L CB -0.638 41.079 42.059 -0.571 0.000 0.901 564 L HN 0.440 nan 8.230 nan 0.000 0.433 565 H N -0.624 118.405 119.070 -0.067 0.000 2.697 565 H HA 0.334 4.891 4.556 0.000 0.000 0.270 565 H C 0.753 176.071 175.328 -0.017 0.000 1.188 565 H CA -0.067 55.976 56.048 -0.007 0.000 1.322 565 H CB 1.233 30.989 29.762 -0.011 0.000 1.405 565 H HN 0.062 nan 8.280 nan 0.000 0.502 566 A N 2.383 125.247 122.820 0.073 0.000 2.121 566 A HA -0.073 4.247 4.320 0.000 0.000 0.218 566 A C 1.430 178.924 177.584 -0.150 0.000 1.154 566 A CA 0.770 52.761 52.037 -0.077 0.000 0.679 566 A CB -0.473 18.465 19.000 -0.103 0.000 0.795 566 A HN 0.432 nan 8.150 nan 0.000 0.458 567 F N 0.446 120.396 119.950 0.001 0.000 2.335 567 F HA 0.016 4.543 4.527 0.000 0.000 0.296 567 F C 1.741 177.535 175.800 -0.011 0.000 1.091 567 F CA 0.866 58.880 58.000 0.025 0.000 1.399 567 F CB -0.049 38.982 39.000 0.052 0.000 1.067 567 F HN 0.405 nan 8.300 nan 0.000 0.520 568 Q N 1.202 121.074 119.800 0.120 0.000 2.317 568 Q HA 0.561 4.902 4.340 0.000 0.000 0.229 568 Q C -0.252 175.756 176.000 0.013 0.000 0.984 568 Q CA -0.791 55.024 55.803 0.020 0.000 0.911 568 Q CB 1.158 29.890 28.738 -0.009 0.000 1.217 568 Q HN 0.094 nan 8.270 nan 0.000 0.501 569 A N 2.286 125.110 122.820 0.006 0.000 2.491 569 A HA 0.216 4.537 4.320 0.000 0.000 0.261 569 A C -0.846 176.751 177.584 0.022 0.000 1.101 569 A CA -0.232 51.822 52.037 0.029 0.000 0.772 569 A CB -0.617 18.404 19.000 0.036 0.000 1.043 569 A HN 0.806 nan 8.150 nan 0.000 0.501 570 N N 2.066 120.787 118.700 0.035 0.000 2.258 570 N HA 0.369 5.109 4.740 0.000 0.000 0.299 570 N C -1.281 174.343 175.510 0.191 0.000 1.047 570 N CA -0.794 52.266 53.050 0.017 0.000 0.814 570 N CB 1.541 39.900 38.487 -0.213 0.000 1.413 570 N HN 0.662 nan 8.380 nan 0.000 0.478 571 N N 1.168 119.991 118.700 0.206 0.000 2.430 571 N HA 0.171 4.911 4.740 0.000 0.000 0.292 571 N C -1.346 174.378 175.510 0.356 0.000 1.051 571 N CA -0.307 52.900 53.050 0.261 0.000 0.917 571 N CB 1.423 40.012 38.487 0.171 0.000 1.164 571 N HN 0.494 nan 8.380 nan 0.000 0.484 572 Y N 2.999 123.349 120.300 0.085 0.000 2.304 572 Y HA 0.304 4.855 4.550 0.000 0.000 0.328 572 Y C -1.131 174.755 175.900 -0.024 0.000 1.123 572 Y CA -1.219 56.785 58.100 -0.160 0.000 1.218 572 Y CB 1.023 39.086 38.460 -0.662 0.000 1.207 572 Y HN 0.488 nan 8.280 nan 0.000 0.495 573 P HA -0.012 nan 4.420 nan 0.000 0.257 573 P C 1.114 178.254 177.300 -0.267 0.000 1.241 573 P CA 0.900 63.342 63.100 -1.096 0.000 0.816 573 P CB 0.041 31.085 31.700 -1.093 0.000 1.150 574 H N 1.310 120.291 119.070 -0.148 0.000 2.319 574 H HA -0.119 4.438 4.556 0.000 0.000 0.297 574 H C 0.647 175.972 175.328 -0.006 0.000 1.097 574 H CA 1.541 57.554 56.048 -0.057 0.000 1.285 574 H CB 0.197 29.942 29.762 -0.028 0.000 1.368 574 H HN -0.018 nan 8.280 nan 0.000 0.495 575 D N -0.202 120.140 120.400 -0.097 0.000 2.355 575 D HA -0.007 4.633 4.640 0.000 0.000 0.218 575 D C -0.339 175.825 176.300 -0.227 0.000 1.004 575 D CA 0.296 54.154 54.000 -0.236 0.000 0.880 575 D CB -0.110 40.576 40.800 -0.189 0.000 0.911 575 D HN 0.146 nan 8.370 nan 0.000 0.528 576 F N 1.131 120.986 119.950 -0.158 0.000 2.410 576 F HA 0.217 4.744 4.527 0.000 0.000 0.349 576 F C 0.755 176.506 175.800 -0.082 0.000 1.117 576 F CA -1.099 56.845 58.000 -0.093 0.000 1.104 576 F CB 1.258 40.241 39.000 -0.028 0.000 1.122 576 F HN -0.310 nan 8.300 nan 0.000 0.483 577 V N -0.314 119.641 119.914 0.069 0.000 3.096 577 V HA 0.581 4.701 4.120 0.000 0.000 0.319 577 V C -0.500 175.647 176.094 0.089 0.000 1.103 577 V CA -0.982 61.345 62.300 0.045 0.000 1.016 577 V CB 1.738 33.550 31.823 -0.018 0.000 1.090 577 V HN 0.628 nan 8.190 nan 0.000 0.449 578 D N 0.079 120.518 120.400 0.065 0.000 2.357 578 D HA 0.234 4.874 4.640 0.000 0.000 0.242 578 D C 0.754 177.080 176.300 0.044 0.000 1.153 578 D CA 0.167 54.209 54.000 0.069 0.000 0.918 578 D CB 1.404 42.235 40.800 0.052 0.000 1.181 578 D HN 0.699 nan 8.370 nan 0.000 0.435 579 c N 0.693 119.320 118.600 0.044 0.000 2.481 579 c HA -0.044 4.526 4.570 0.000 0.000 0.275 579 c C 2.477 176.568 174.090 0.002 0.000 1.419 579 c CA 0.814 57.155 56.329 0.020 0.000 1.773 579 c CB -1.368 41.154 42.510 0.020 0.000 1.862 579 c HN 0.727 nan 8.230 nan 0.000 0.530 580 S N 1.177 116.881 115.700 0.006 0.000 2.447 580 S HA -0.045 4.425 4.470 0.000 0.000 0.233 580 S C 1.763 176.359 174.600 -0.006 0.000 1.006 580 S CA 1.157 59.356 58.200 -0.001 0.000 0.957 580 S CB -0.339 62.863 63.200 0.003 0.000 0.773 580 S HN 0.633 nan 8.310 nan 0.000 0.507 581 A N 0.958 123.774 122.820 -0.006 0.000 2.208 581 A HA 0.431 4.752 4.320 0.000 0.000 0.209 581 A C 0.774 178.341 177.584 -0.028 0.000 1.161 581 A CA 0.052 52.080 52.037 -0.015 0.000 0.782 581 A CB -0.258 18.732 19.000 -0.016 0.000 0.816 581 A HN 0.379 nan 8.150 nan 0.000 0.477 582 V N 1.846 121.743 119.914 -0.028 0.000 2.432 582 V HA 0.171 4.292 4.120 0.000 0.000 0.275 582 V C -0.672 175.403 176.094 -0.031 0.000 1.043 582 V CA -1.141 61.137 62.300 -0.037 0.000 0.925 582 V CB 1.053 32.853 31.823 -0.039 0.000 0.985 582 V HN 0.282 nan 8.190 nan 0.000 0.466 583 D N 3.908 124.291 120.400 -0.028 0.000 2.525 583 D HA 0.107 4.747 4.640 0.000 0.000 0.235 583 D C 0.256 176.540 176.300 -0.027 0.000 1.137 583 D CA 0.576 54.563 54.000 -0.021 0.000 0.868 583 D CB 0.559 41.352 40.800 -0.012 0.000 1.180 583 D HN 0.460 nan 8.370 nan 0.000 0.465 584 K N 1.009 121.393 120.400 -0.027 0.000 2.118 584 K HA 0.351 4.671 4.320 0.000 0.000 0.264 584 K C -0.176 176.403 176.600 -0.035 0.000 1.000 584 K CA -1.007 55.256 56.287 -0.040 0.000 0.929 584 K CB 1.171 33.647 32.500 -0.040 0.000 1.021 584 K HN 0.260 nan 8.250 nan 0.000 0.463 585 L N 2.098 123.286 121.223 -0.058 0.000 2.315 585 L HA 0.143 4.483 4.340 0.000 0.000 0.283 585 L C -0.664 176.177 176.870 -0.048 0.000 1.089 585 L CA 0.081 54.886 54.840 -0.058 0.000 0.833 585 L CB 0.560 42.552 42.059 -0.112 0.000 1.170 585 L HN 0.458 nan 8.230 nan 0.000 0.442 586 D N 3.946 124.352 120.400 0.010 0.000 2.316 586 D HA 0.206 4.846 4.640 0.000 0.000 0.245 586 D C 0.466 176.831 176.300 0.108 0.000 1.171 586 D CA 0.056 54.080 54.000 0.041 0.000 0.856 586 D CB 0.790 41.627 40.800 0.061 0.000 1.090 586 D HN 0.659 nan 8.370 nan 0.000 0.476 587 L N 3.048 124.302 121.223 0.052 0.000 2.685 587 L HA 0.083 4.423 4.340 0.000 0.000 0.233 587 L C 2.048 179.068 176.870 0.251 0.000 1.173 587 L CA -0.088 54.811 54.840 0.099 0.000 0.961 587 L CB -0.183 41.788 42.059 -0.148 0.000 1.217 587 L HN 0.452 nan 8.230 nan 0.000 0.478 588 S N 0.538 116.353 115.700 0.192 0.000 2.368 588 S HA -0.025 4.446 4.470 0.000 0.000 0.224 588 S C -0.340 174.363 174.600 0.172 0.000 1.029 588 S CA 0.637 58.922 58.200 0.141 0.000 0.988 588 S CB -1.507 61.740 63.200 0.079 0.000 0.838 588 S HN 0.262 nan 8.310 nan 0.000 0.462 589 P HA -0.054 nan 4.420 nan 0.000 0.236 589 P C 0.649 177.947 177.300 -0.003 0.000 1.172 589 P CA 0.724 63.850 63.100 0.045 0.000 0.759 589 P CB -0.343 31.314 31.700 -0.072 0.000 0.843 590 W N 0.164 121.503 121.300 0.065 0.000 2.942 590 W HA 0.314 4.974 4.660 0.000 0.000 0.263 590 W C 0.718 177.245 176.519 0.015 0.000 1.296 590 W CA -0.227 57.182 57.345 0.106 0.000 1.504 590 W CB 0.025 29.549 29.460 0.105 0.000 1.096 590 W HN -0.112 nan 8.180 nan 0.000 0.639 591 A N 1.678 124.587 122.820 0.149 0.000 2.522 591 A HA 0.228 4.548 4.320 0.000 0.000 0.256 591 A C 0.291 177.910 177.584 0.060 0.000 1.086 591 A CA 0.809 52.855 52.037 0.014 0.000 0.763 591 A CB 0.225 19.235 19.000 0.017 0.000 1.024 591 A HN -0.016 nan 8.150 nan 0.000 0.502 592 S N 1.204 116.937 115.700 0.057 0.000 2.664 592 S HA 0.839 5.309 4.470 0.000 0.000 0.304 592 S C -0.288 174.434 174.600 0.204 0.000 1.099 592 S CA -0.710 57.626 58.200 0.227 0.000 1.003 592 S CB 1.090 64.602 63.200 0.520 0.000 1.092 592 S HN 0.900 nan 8.310 nan 0.000 0.525 593 R N 0.711 121.300 120.500 0.149 0.000 2.707 593 R HA 0.455 4.795 4.340 0.000 0.000 0.272 593 R C -0.161 176.142 176.300 0.005 0.000 1.011 593 R CA -0.355 55.745 56.100 0.000 0.000 0.893 593 R CB 0.960 31.258 30.300 -0.005 0.000 1.233 593 R HN 0.755 nan 8.270 nan 0.000 0.464 594 E N 0.255 120.407 120.200 -0.080 0.000 2.201 594 E HA 0.196 4.546 4.350 0.000 0.000 0.193 594 E C 0.038 176.631 176.600 -0.013 0.000 0.957 594 E CA 0.061 56.444 56.400 -0.029 0.000 0.858 594 E CB 0.134 29.799 29.700 -0.058 0.000 0.816 594 E HN 0.450 nan 8.360 nan 0.000 0.475 595 N N 0.000 118.684 118.700 -0.027 0.000 1.763 595 N HA 0.000 4.740 4.740 0.000 0.000 0.220 595 N CA 0.000 53.042 53.050 -0.013 0.000 0.885 595 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667