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 3fnl_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLALPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEDG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SNEHSKTQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLAREQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLQNLSSPL GLMAVNQEAW DHGLAYLPFN NRKPSPcEFI NTTARVPcFL DATA SEQUENCE AGDFRASEQI LLATAHTLLL REHNRLAREL KKLNPQWDGE KLYQEARKIL DATA SEQUENCE GAFVQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKMSFS 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 0.000 174.529 174.600 -0.118 0.000 1.055 1 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 1 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 2 W N 2.154 123.472 121.300 0.030 0.000 2.870 2 W HA 0.166 4.761 4.660 -0.109 0.000 0.358 2 W C 0.508 177.050 176.519 0.038 0.000 1.043 2 W CA -0.089 57.277 57.345 0.036 0.000 1.692 2 W CB 0.176 29.659 29.460 0.038 0.000 1.100 2 W HN 0.878 nan 8.180 nan 0.000 0.557 3 E N -1.197 119.139 120.200 0.227 0.000 3.799 3 E HA -0.248 4.036 4.350 -0.110 0.000 0.320 3 E C 1.218 177.914 176.600 0.160 0.000 0.760 3 E CA 1.216 57.708 56.400 0.154 0.000 1.153 3 E CB -2.319 27.456 29.700 0.126 0.000 1.589 3 E HN 0.230 nan 8.360 nan 0.000 0.448 4 V N -0.678 119.369 119.914 0.222 0.000 2.396 4 V HA -0.386 3.668 4.120 -0.110 0.000 0.268 4 V C 2.429 178.569 176.094 0.077 0.000 1.129 4 V CA 2.774 65.160 62.300 0.144 0.000 1.118 4 V CB -1.525 30.374 31.823 0.126 0.000 0.707 4 V HN 0.445 nan 8.190 nan 0.000 0.458 5 G N -1.586 107.260 108.800 0.076 0.000 2.402 5 G HA2 -0.257 3.637 3.960 -0.110 0.000 0.216 5 G HA3 -0.257 3.637 3.960 -0.110 0.000 0.216 5 G C 0.966 175.890 174.900 0.040 0.000 1.162 5 G CA 0.669 45.800 45.100 0.051 0.000 0.777 5 G HN 0.625 nan 8.290 nan 0.000 0.539 6 c N 2.557 121.184 118.600 0.045 0.000 2.075 6 c HA 0.357 4.861 4.570 -0.110 0.000 0.436 6 c C 1.631 175.731 174.090 0.016 0.000 1.437 6 c CA 0.238 56.585 56.329 0.029 0.000 1.484 6 c CB -1.545 40.984 42.510 0.030 0.000 2.727 6 c HN 0.372 nan 8.230 nan 0.000 0.622 7 G N 4.893 113.699 108.800 0.009 0.000 4.864 7 G HA2 0.567 4.461 3.960 -0.110 0.000 0.280 7 G HA3 0.567 4.461 3.960 -0.110 0.000 0.280 7 G C 0.308 175.205 174.900 -0.006 0.000 1.239 7 G CA 0.596 45.698 45.100 0.004 0.000 0.951 7 G HN 1.018 nan 8.290 nan 0.000 0.583 8 A N 1.190 123.998 122.820 -0.020 0.000 2.768 8 A HA 0.784 5.038 4.320 -0.110 0.000 0.239 8 A C -1.806 175.750 177.584 -0.047 0.000 1.794 8 A CA -1.058 50.960 52.037 -0.032 0.000 0.853 8 A CB -0.540 18.434 19.000 -0.044 0.000 1.725 8 A HN 0.167 nan 8.150 nan 0.000 0.648 9 P HA 0.018 nan 4.420 nan 0.000 0.109 9 P C -0.840 176.420 177.300 -0.066 0.000 0.656 9 P CA 1.423 64.478 63.100 -0.075 0.000 1.148 9 P CB -0.936 30.694 31.700 -0.117 0.000 1.562 10 V N 0.918 120.809 119.914 -0.040 0.000 3.167 10 V HA 0.678 4.732 4.120 -0.110 0.000 0.293 10 V C -2.916 173.174 176.094 -0.008 0.000 1.379 10 V CA -2.372 59.914 62.300 -0.023 0.000 1.019 10 V CB 1.959 33.775 31.823 -0.012 0.000 1.115 10 V HN -0.053 nan 8.190 nan 0.000 0.442 11 P HA 0.709 nan 4.420 nan 0.000 0.287 11 P C -0.965 176.347 177.300 0.021 0.000 1.281 11 P CA -0.243 62.864 63.100 0.012 0.000 0.781 11 P CB 1.348 33.059 31.700 0.020 0.000 0.903 12 L N 4.130 125.363 121.223 0.018 0.000 2.381 12 L HA 0.791 5.065 4.340 -0.110 0.000 0.268 12 L C -0.540 176.343 176.870 0.021 0.000 0.997 12 L CA -0.790 54.064 54.840 0.022 0.000 0.818 12 L CB 1.976 44.046 42.059 0.019 0.000 1.310 12 L HN 0.346 nan 8.230 nan 0.000 0.416 13 V N 1.020 120.950 119.914 0.026 0.000 3.109 13 V HA 0.683 4.737 4.120 -0.110 0.000 0.311 13 V C -1.085 175.025 176.094 0.025 0.000 1.389 13 V CA -1.072 61.242 62.300 0.023 0.000 1.034 13 V CB 1.699 33.536 31.823 0.023 0.000 1.105 13 V HN 0.775 nan 8.190 nan 0.000 0.477 14 K N -0.442 119.972 120.400 0.023 0.000 2.259 14 K HA 0.677 4.931 4.320 -0.110 0.000 0.252 14 K C -1.303 175.312 176.600 0.025 0.000 0.936 14 K CA -0.295 56.006 56.287 0.022 0.000 0.810 14 K CB 1.798 34.308 32.500 0.017 0.000 1.143 14 K HN 0.770 nan 8.250 nan 0.000 0.427 15 c N 2.993 121.609 118.600 0.027 0.000 2.555 15 c HA 0.038 4.542 4.570 -0.110 0.000 0.385 15 c C 1.395 175.499 174.090 0.024 0.000 1.296 15 c CA -0.386 55.962 56.329 0.031 0.000 1.757 15 c CB -0.792 41.738 42.510 0.034 0.000 2.445 15 c HN 0.859 nan 8.230 nan 0.000 0.571 16 D N 1.390 121.805 120.400 0.025 0.000 2.203 16 D HA -0.107 4.467 4.640 -0.110 0.000 0.199 16 D C 0.728 177.034 176.300 0.010 0.000 0.997 16 D CA 1.348 55.358 54.000 0.017 0.000 0.863 16 D CB 0.007 40.817 40.800 0.017 0.000 0.928 16 D HN 0.747 nan 8.370 nan 0.000 0.458 17 E N -0.772 119.438 120.200 0.016 0.000 7.054 17 E HA -0.282 4.002 4.350 -0.110 0.000 0.352 17 E C 0.261 176.857 176.600 -0.006 0.000 0.918 17 E CA 0.736 57.140 56.400 0.007 0.000 1.185 17 E CB -1.023 28.680 29.700 0.004 0.000 0.924 17 E HN 0.433 nan 8.360 nan 0.000 0.289 18 N N -0.722 117.971 118.700 -0.011 0.000 2.972 18 N HA -0.220 4.454 4.740 -0.110 0.000 0.225 18 N C -0.067 175.413 175.510 -0.049 0.000 0.883 18 N CA 1.256 54.287 53.050 -0.031 0.000 1.010 18 N CB -0.472 37.994 38.487 -0.034 0.000 1.052 18 N HN 0.470 nan 8.380 nan 0.000 0.598 19 S N 0.497 116.174 115.700 -0.039 0.000 2.546 19 S HA 0.172 4.576 4.470 -0.110 0.000 0.290 19 S C -1.626 172.894 174.600 -0.133 0.000 1.290 19 S CA -0.826 57.319 58.200 -0.093 0.000 1.069 19 S CB 0.835 64.010 63.200 -0.041 0.000 0.846 19 S HN 0.119 nan 8.310 nan 0.000 0.495 20 P HA 0.203 nan 4.420 nan 0.000 0.253 20 P C -1.130 175.794 177.300 -0.627 0.000 1.260 20 P CA 0.298 63.120 63.100 -0.463 0.000 0.800 20 P CB -0.084 31.205 31.700 -0.685 0.000 1.162 21 Y N -0.456 119.694 120.300 -0.249 0.000 2.446 21 Y HA 0.430 4.912 4.550 -0.115 0.000 0.345 21 Y C 1.065 176.593 175.900 -0.620 0.000 0.984 21 Y CA -1.768 56.064 58.100 -0.447 0.000 1.058 21 Y CB 1.205 39.504 38.460 -0.267 0.000 1.220 21 Y HN -0.321 nan 8.280 nan 0.000 0.455 22 R N 0.671 120.769 120.500 -0.671 0.000 2.698 22 R HA 0.203 4.477 4.340 -0.110 0.000 0.266 22 R C 0.292 176.476 176.300 -0.194 0.000 1.026 22 R CA 0.091 55.863 56.100 -0.545 0.000 1.102 22 R CB 0.189 30.240 30.300 -0.415 0.000 0.978 22 R HN 0.804 nan 8.270 nan 0.000 0.436 23 T N -0.831 113.671 114.554 -0.087 0.000 2.813 23 T HA 0.113 4.397 4.350 -0.110 0.000 0.297 23 T C 1.589 176.298 174.700 0.015 0.000 1.036 23 T CA -0.891 61.205 62.100 -0.007 0.000 1.044 23 T CB 0.669 69.559 68.868 0.036 0.000 0.993 23 T HN 0.305 nan 8.240 nan 0.000 0.535 24 I N 1.789 122.385 120.570 0.043 0.000 2.315 24 I HA -0.107 3.997 4.170 -0.110 0.000 0.248 24 I C 2.844 179.021 176.117 0.100 0.000 1.117 24 I CA 1.975 63.318 61.300 0.072 0.000 1.404 24 I CB -1.559 36.487 38.000 0.077 0.000 1.071 24 I HN 0.997 nan 8.210 nan 0.000 0.419 25 T N -2.379 112.233 114.554 0.097 0.000 3.067 25 T HA 0.193 4.477 4.350 -0.110 0.000 0.261 25 T C 1.606 176.404 174.700 0.164 0.000 1.110 25 T CA 0.871 63.040 62.100 0.115 0.000 1.113 25 T CB 0.278 69.201 68.868 0.092 0.000 0.917 25 T HN 0.465 nan 8.240 nan 0.000 0.499 26 G N 1.051 109.960 108.800 0.182 0.000 2.194 26 G HA2 -0.194 3.700 3.960 -0.110 0.000 0.236 26 G HA3 -0.194 3.700 3.960 -0.110 0.000 0.236 26 G C -0.218 174.847 174.900 0.276 0.000 0.987 26 G CA -0.016 45.265 45.100 0.302 0.000 0.635 26 G HN 0.592 nan 8.290 nan 0.000 0.520 27 D N -0.373 120.134 120.400 0.177 0.000 2.400 27 D HA 0.331 4.905 4.640 -0.110 0.000 0.238 27 D C 1.435 177.803 176.300 0.115 0.000 1.157 27 D CA 1.240 55.324 54.000 0.140 0.000 0.889 27 D CB 0.884 41.743 40.800 0.098 0.000 1.199 27 D HN 0.770 nan 8.370 nan 0.000 0.436 28 c N 1.311 119.975 118.600 0.107 0.000 4.617 28 c HA -0.156 4.348 4.570 -0.110 0.000 0.260 28 c C 1.927 176.069 174.090 0.087 0.000 1.288 28 c CA -0.068 56.313 56.329 0.087 0.000 1.668 28 c CB -2.571 39.984 42.510 0.077 0.000 1.518 28 c HN 0.771 nan 8.230 nan 0.000 0.708 29 N N 1.814 120.561 118.700 0.077 0.000 2.092 29 N HA -0.081 4.593 4.740 -0.110 0.000 0.189 29 N C 0.493 175.995 175.510 -0.012 0.000 1.040 29 N CA 1.196 54.230 53.050 -0.026 0.000 0.845 29 N CB -0.125 38.208 38.487 -0.258 0.000 1.017 29 N HN 0.778 nan 8.380 nan 0.000 0.426 30 N N 1.263 120.033 118.700 0.118 0.000 2.430 30 N HA 0.038 4.712 4.740 -0.110 0.000 0.265 30 N C 0.798 176.368 175.510 0.100 0.000 1.100 30 N CA -0.012 53.133 53.050 0.158 0.000 0.961 30 N CB 0.784 39.389 38.487 0.197 0.000 1.075 30 N HN 0.216 nan 8.380 nan 0.000 0.478 31 R N 2.450 122.999 120.500 0.083 0.000 2.073 31 R HA -0.099 4.175 4.340 -0.110 0.000 0.229 31 R C 1.892 178.219 176.300 0.045 0.000 1.120 31 R CA 1.385 57.515 56.100 0.050 0.000 0.967 31 R CB 0.046 30.366 30.300 0.035 0.000 0.862 31 R HN 0.647 nan 8.270 nan 0.000 0.436 32 R N -0.814 119.714 120.500 0.047 0.000 2.193 32 R HA 0.095 4.369 4.340 -0.110 0.000 0.213 32 R C 0.570 176.887 176.300 0.028 0.000 1.055 32 R CA 0.976 57.093 56.100 0.029 0.000 0.995 32 R CB 0.282 30.592 30.300 0.017 0.000 0.893 32 R HN -0.153 nan 8.270 nan 0.000 0.459 33 S N 0.898 116.626 115.700 0.045 0.000 2.216 33 S HA 0.358 4.762 4.470 -0.110 0.000 0.156 33 S C -2.222 172.421 174.600 0.072 0.000 1.665 33 S CA -1.575 56.652 58.200 0.044 0.000 1.262 33 S CB 1.447 64.668 63.200 0.034 0.000 1.207 33 S HN 0.032 nan 8.310 nan 0.000 0.427 34 P HA 0.003 nan 4.420 nan 0.000 0.219 34 P C 0.984 178.346 177.300 0.103 0.000 1.146 34 P CA 0.705 63.854 63.100 0.082 0.000 0.808 34 P CB 0.202 31.938 31.700 0.061 0.000 0.779 35 A N -1.254 121.619 122.820 0.089 0.000 2.251 35 A HA 0.085 4.339 4.320 -0.110 0.000 0.209 35 A C 0.901 178.555 177.584 0.117 0.000 1.187 35 A CA -0.091 52.003 52.037 0.095 0.000 0.823 35 A CB -0.952 18.085 19.000 0.063 0.000 0.846 35 A HN 0.109 nan 8.150 nan 0.000 0.486 36 L N 0.427 121.732 121.223 0.136 0.000 2.597 36 L HA 0.283 4.557 4.340 -0.110 0.000 0.271 36 L C 1.456 178.449 176.870 0.204 0.000 1.157 36 L CA 0.973 55.900 54.840 0.144 0.000 0.928 36 L CB 0.109 42.263 42.059 0.158 0.000 1.216 36 L HN 0.566 nan 8.230 nan 0.000 0.481 37 G N 2.472 111.301 108.800 0.050 0.000 2.175 37 G HA2 -0.222 3.672 3.960 -0.110 0.000 0.244 37 G HA3 -0.222 3.672 3.960 -0.110 0.000 0.244 37 G C 0.337 175.232 174.900 -0.008 0.000 0.982 37 G CA -0.090 44.896 45.100 -0.190 0.000 0.641 37 G HN 0.889 nan 8.290 nan 0.000 0.527 38 A N 0.275 123.173 122.820 0.129 0.000 2.371 38 A HA 0.875 5.129 4.320 -0.110 0.000 0.257 38 A C 1.046 178.682 177.584 0.087 0.000 1.089 38 A CA 0.923 53.052 52.037 0.153 0.000 0.794 38 A CB 0.530 19.614 19.000 0.139 0.000 1.029 38 A HN 2.102 nan 8.150 nan 0.000 0.488 39 A N 2.175 125.056 122.820 0.102 0.000 2.483 39 A HA 0.409 4.663 4.320 -0.110 0.000 0.238 39 A C 0.846 178.462 177.584 0.054 0.000 1.070 39 A CA 0.300 52.384 52.037 0.079 0.000 0.770 39 A CB -0.299 18.761 19.000 0.100 0.000 1.008 39 A HN 1.262 nan 8.150 nan 0.000 0.497 40 N N -0.130 118.589 118.700 0.033 0.000 2.780 40 N HA -0.116 4.558 4.740 -0.110 0.000 0.248 40 N C -0.465 175.043 175.510 -0.004 0.000 1.102 40 N CA 1.148 54.200 53.050 0.003 0.000 0.697 40 N CB -0.640 37.847 38.487 0.001 0.000 1.028 40 N HN 0.753 nan 8.380 nan 0.000 0.554 41 R N -0.347 120.155 120.500 0.004 0.000 2.888 41 R HA 0.717 4.991 4.340 -0.110 0.000 0.264 41 R C -0.030 176.274 176.300 0.006 0.000 1.045 41 R CA -0.454 55.649 56.100 0.005 0.000 0.962 41 R CB 0.793 31.104 30.300 0.019 0.000 1.210 41 R HN 0.121 nan 8.270 nan 0.000 0.479 42 A N 1.684 124.513 122.820 0.015 0.000 2.498 42 A HA 0.179 4.433 4.320 -0.110 0.000 0.239 42 A C 0.233 177.834 177.584 0.029 0.000 1.068 42 A CA -0.317 51.737 52.037 0.028 0.000 0.766 42 A CB 0.035 19.062 19.000 0.045 0.000 1.003 42 A HN 0.370 nan 8.150 nan 0.000 0.497 43 L N 1.541 122.784 121.223 0.035 0.000 2.525 43 L HA 0.164 4.437 4.340 -0.110 0.000 0.278 43 L C 1.262 178.146 176.870 0.022 0.000 1.218 43 L CA 0.692 55.546 54.840 0.023 0.000 0.878 43 L CB -0.588 41.502 42.059 0.052 0.000 1.127 43 L HN 0.870 nan 8.230 nan 0.000 0.492 44 A N 6.263 129.078 122.820 -0.007 0.000 2.466 44 A HA 0.286 4.540 4.320 -0.110 0.000 0.238 44 A C 0.438 178.026 177.584 0.008 0.000 1.074 44 A CA -0.245 51.809 52.037 0.028 0.000 0.774 44 A CB 0.163 19.202 19.000 0.064 0.000 1.015 44 A HN 0.649 nan 8.150 nan 0.000 0.498 45 R N 1.583 122.152 120.500 0.114 0.000 2.275 45 R HA 0.119 4.393 4.340 -0.110 0.000 0.326 45 R C -0.281 176.205 176.300 0.310 0.000 0.973 45 R CA -0.405 55.785 56.100 0.151 0.000 0.854 45 R CB 0.743 31.138 30.300 0.158 0.000 1.156 45 R HN 0.954 nan 8.270 nan 0.000 0.487 46 W N 2.103 123.492 121.300 0.147 0.000 2.467 46 W HA 0.095 4.688 4.660 -0.112 0.000 0.275 46 W C 0.533 177.094 176.519 0.068 0.000 1.239 46 W CA 0.298 57.722 57.345 0.132 0.000 1.266 46 W CB -0.093 29.416 29.460 0.081 0.000 1.112 46 W HN 0.286 nan 8.180 nan 0.000 0.576 47 L N -0.520 120.848 121.223 0.241 0.000 2.393 47 L HA 0.357 4.631 4.340 -0.110 0.000 0.260 47 L C -2.178 174.732 176.870 0.068 0.000 1.002 47 L CA -2.117 52.749 54.840 0.043 0.000 0.818 47 L CB 2.214 44.096 42.059 -0.294 0.000 1.369 47 L HN -0.508 nan 8.230 nan 0.000 0.412 48 P HA 0.108 nan 4.420 nan 0.000 0.266 48 P C -0.767 176.548 177.300 0.026 0.000 1.195 48 P CA -0.216 62.914 63.100 0.052 0.000 0.768 48 P CB 0.613 32.338 31.700 0.041 0.000 0.838 49 A N 3.027 125.866 122.820 0.032 0.000 2.445 49 A HA 0.130 4.384 4.320 -0.110 0.000 0.242 49 A C 0.118 177.642 177.584 -0.099 0.000 1.075 49 A CA -0.057 51.938 52.037 -0.069 0.000 0.777 49 A CB -0.091 18.856 19.000 -0.089 0.000 1.013 49 A HN 0.566 nan 8.150 nan 0.000 0.493 50 E N 1.126 121.220 120.200 -0.176 0.000 2.149 50 E HA 0.400 4.684 4.350 -0.110 0.000 0.255 50 E C -1.703 174.837 176.600 -0.100 0.000 0.888 50 E CA 0.069 56.475 56.400 0.011 0.000 0.742 50 E CB 1.129 30.938 29.700 0.182 0.000 1.164 50 E HN 0.669 nan 8.360 nan 0.000 0.422 51 Y N 0.715 120.985 120.300 -0.050 0.000 2.528 51 Y HA 0.110 4.594 4.550 -0.110 0.000 0.335 51 Y C 1.699 177.161 175.900 -0.730 0.000 1.093 51 Y CA -0.680 57.217 58.100 -0.340 0.000 1.134 51 Y CB 1.710 40.021 38.460 -0.247 0.000 1.253 51 Y HN 0.509 nan 8.280 nan 0.000 0.478 52 E N 0.818 120.513 120.200 -0.841 0.000 2.097 52 E HA -0.251 4.033 4.350 -0.110 0.000 0.196 52 E C 0.435 176.827 176.600 -0.347 0.000 1.000 52 E CA 1.863 57.749 56.400 -0.856 0.000 0.804 52 E CB 0.048 29.442 29.700 -0.510 0.000 0.740 52 E HN 0.798 nan 8.360 nan 0.000 0.454 53 D N -2.006 118.245 120.400 -0.248 0.000 2.525 53 D HA 0.128 4.702 4.640 -0.110 0.000 0.229 53 D C 1.058 177.292 176.300 -0.109 0.000 1.202 53 D CA 0.503 54.409 54.000 -0.157 0.000 0.828 53 D CB 0.407 41.100 40.800 -0.178 0.000 1.008 53 D HN 0.328 nan 8.370 nan 0.000 0.493 54 G N 0.474 109.236 108.800 -0.065 0.000 2.377 54 G HA2 -0.361 3.533 3.960 -0.110 0.000 0.250 54 G HA3 -0.361 3.533 3.960 -0.110 0.000 0.250 54 G C 0.842 175.773 174.900 0.052 0.000 1.039 54 G CA 0.639 45.745 45.100 0.010 0.000 0.625 54 G HN 0.442 nan 8.290 nan 0.000 0.526 55 L N -1.489 119.689 121.223 -0.075 0.000 2.624 55 L HA 0.653 4.927 4.340 -0.110 0.000 0.222 55 L C 2.350 178.874 176.870 -0.577 0.000 1.046 55 L CA 1.365 56.098 54.840 -0.178 0.000 0.872 55 L CB 0.340 42.290 42.059 -0.181 0.000 1.190 55 L HN 0.599 nan 8.230 nan 0.000 0.487 56 A N -1.859 120.417 122.820 -0.907 0.000 1.792 56 A HA 0.239 4.493 4.320 -0.110 0.000 0.189 56 A C -0.144 176.750 177.584 -1.149 0.000 1.926 56 A CA -0.265 50.945 52.037 -1.378 0.000 1.493 56 A CB 0.280 18.786 19.000 -0.823 0.000 1.554 56 A HN -0.004 nan 8.150 nan 0.000 0.340 57 L N 2.904 123.692 121.223 -0.725 0.000 2.410 57 L HA 0.342 4.616 4.340 -0.110 0.000 0.273 57 L C -2.257 174.395 176.870 -0.362 0.000 1.144 57 L CA -1.720 52.705 54.840 -0.692 0.000 0.863 57 L CB 0.055 41.702 42.059 -0.686 0.000 1.140 57 L HN 0.191 nan 8.230 nan 0.000 0.463 58 P HA 0.128 nan 4.420 nan 0.000 0.276 58 P C -0.463 176.840 177.300 0.005 0.000 1.244 58 P CA -0.457 62.619 63.100 -0.040 0.000 0.801 58 P CB 0.502 32.154 31.700 -0.080 0.000 1.006 59 F N 0.451 120.501 119.950 0.166 0.000 2.538 59 F HA 0.325 4.785 4.527 -0.110 0.000 0.371 59 F C 1.956 177.911 175.800 0.258 0.000 1.087 59 F CA 2.047 60.157 58.000 0.183 0.000 1.250 59 F CB -0.025 39.065 39.000 0.150 0.000 1.110 59 F HN 0.701 nan 8.300 nan 0.000 0.570 60 G N 2.859 111.925 108.800 0.442 0.000 2.232 60 G HA2 -0.297 3.597 3.960 -0.110 0.000 0.226 60 G HA3 -0.297 3.597 3.960 -0.110 0.000 0.226 60 G C 1.083 176.205 174.900 0.371 0.000 0.996 60 G CA 0.167 45.489 45.100 0.370 0.000 0.626 60 G HN 0.760 nan 8.290 nan 0.000 0.509 61 W N 2.121 123.513 121.300 0.153 0.000 2.354 61 W HA 0.056 4.649 4.660 -0.110 0.000 0.315 61 W C 0.261 176.813 176.519 0.055 0.000 1.206 61 W CA 2.042 59.422 57.345 0.059 0.000 1.290 61 W CB -0.454 28.901 29.460 -0.175 0.000 1.152 61 W HN 0.224 nan 8.180 nan 0.000 0.489 62 T N 3.326 118.062 114.554 0.303 0.000 2.728 62 T HA 0.076 4.360 4.350 -0.110 0.000 0.296 62 T C 0.965 175.736 174.700 0.118 0.000 0.940 62 T CA -0.429 61.776 62.100 0.175 0.000 1.013 62 T CB 1.401 70.383 68.868 0.190 0.000 0.912 62 T HN 0.036 nan 8.240 nan 0.000 0.484 63 Q N 2.513 122.349 119.800 0.060 0.000 2.561 63 Q HA -0.110 4.164 4.340 -0.110 0.000 0.217 63 Q C 1.777 177.815 176.000 0.064 0.000 0.980 63 Q CA 0.774 56.609 55.803 0.053 0.000 0.927 63 Q CB -0.110 28.636 28.738 0.014 0.000 0.980 63 Q HN 0.773 nan 8.270 nan 0.000 0.525 64 R N -0.621 119.921 120.500 0.071 0.000 2.469 64 R HA 0.249 4.523 4.340 -0.110 0.000 0.250 64 R C 0.095 176.441 176.300 0.076 0.000 0.909 64 R CA -0.254 55.883 56.100 0.062 0.000 1.050 64 R CB 0.493 30.820 30.300 0.045 0.000 1.256 64 R HN -0.114 nan 8.270 nan 0.000 0.550 65 K N 2.806 123.268 120.400 0.103 0.000 2.234 65 K HA 0.143 4.397 4.320 -0.110 0.000 0.282 65 K C -0.165 176.538 176.600 0.172 0.000 1.039 65 K CA -0.076 56.285 56.287 0.123 0.000 0.928 65 K CB 1.772 34.346 32.500 0.123 0.000 1.039 65 K HN 0.179 nan 8.250 nan 0.000 0.470 66 T N -0.140 114.508 114.554 0.156 0.000 2.912 66 T HA 0.301 4.585 4.350 -0.110 0.000 0.280 66 T C 0.075 174.913 174.700 0.231 0.000 0.989 66 T CA -0.977 61.220 62.100 0.162 0.000 0.995 66 T CB 1.452 70.356 68.868 0.060 0.000 1.077 66 T HN 0.508 nan 8.240 nan 0.000 0.531 67 R N 1.330 121.914 120.500 0.140 0.000 2.246 67 R HA 0.244 4.518 4.340 -0.110 0.000 0.332 67 R C -0.326 175.971 176.300 -0.005 0.000 0.974 67 R CA -0.380 55.678 56.100 -0.070 0.000 0.837 67 R CB -0.102 29.916 30.300 -0.470 0.000 1.145 67 R HN 0.835 nan 8.270 nan 0.000 0.467 68 N N 3.210 121.905 118.700 -0.009 0.000 2.735 68 N HA -0.207 4.467 4.740 -0.110 0.000 0.248 68 N C 0.536 175.953 175.510 -0.155 0.000 1.083 68 N CA 1.476 54.519 53.050 -0.011 0.000 0.703 68 N CB -1.045 37.476 38.487 0.057 0.000 1.005 68 N HN 1.083 nan 8.380 nan 0.000 0.550 69 G N -2.046 106.623 108.800 -0.218 0.000 2.195 69 G HA2 -0.306 3.588 3.960 -0.110 0.000 0.246 69 G HA3 -0.306 3.588 3.960 -0.110 0.000 0.246 69 G C -0.083 174.441 174.900 -0.627 0.000 0.984 69 G CA 0.429 45.235 45.100 -0.489 0.000 0.633 69 G HN 0.409 nan 8.290 nan 0.000 0.525 70 F N 0.122 120.095 119.950 0.038 0.000 2.563 70 F HA 0.699 5.160 4.527 -0.110 0.000 0.316 70 F C 0.771 176.603 175.800 0.053 0.000 1.076 70 F CA -1.248 56.777 58.000 0.041 0.000 0.921 70 F CB 1.347 40.371 39.000 0.040 0.000 1.209 70 F HN -0.111 nan 8.300 nan 0.000 0.462 71 R N 1.380 122.032 120.500 0.254 0.000 2.489 71 R HA 0.359 4.633 4.340 -0.110 0.000 0.287 71 R C -0.732 175.659 176.300 0.152 0.000 1.053 71 R CA -0.484 55.718 56.100 0.171 0.000 1.036 71 R CB 0.682 31.054 30.300 0.120 0.000 0.966 71 R HN 0.538 nan 8.270 nan 0.000 0.432 72 V N 2.466 122.469 119.914 0.148 0.000 2.572 72 V HA 0.271 4.325 4.120 -0.110 0.000 0.291 72 V C -1.642 174.471 176.094 0.032 0.000 1.039 72 V CA -1.798 60.573 62.300 0.118 0.000 1.055 72 V CB 0.351 32.279 31.823 0.175 0.000 0.969 72 V HN 0.690 nan 8.190 nan 0.000 0.482 73 P HA 0.292 nan 4.420 nan 0.000 0.272 73 P C -0.292 176.953 177.300 -0.092 0.000 1.223 73 P CA -0.538 62.470 63.100 -0.154 0.000 0.784 73 P CB 0.793 32.268 31.700 -0.374 0.000 0.923 74 L N 1.428 122.608 121.223 -0.071 0.000 2.455 74 L HA 0.045 4.319 4.340 -0.110 0.000 0.272 74 L C 2.022 178.859 176.870 -0.056 0.000 1.174 74 L CA -0.190 54.616 54.840 -0.056 0.000 0.869 74 L CB 0.121 42.152 42.059 -0.046 0.000 1.130 74 L HN 0.476 nan 8.230 nan 0.000 0.474 75 A N 3.591 126.374 122.820 -0.061 0.000 1.892 75 A HA -0.256 3.998 4.320 -0.110 0.000 0.218 75 A C 2.291 179.877 177.584 0.003 0.000 1.188 75 A CA 2.097 54.115 52.037 -0.033 0.000 0.631 75 A CB -0.430 18.512 19.000 -0.098 0.000 0.822 75 A HN 0.874 nan 8.150 nan 0.000 0.447 76 R N 0.061 120.562 120.500 0.001 0.000 2.148 76 R HA -0.088 4.186 4.340 -0.110 0.000 0.227 76 R C 1.970 178.290 176.300 0.033 0.000 1.103 76 R CA 1.885 58.014 56.100 0.049 0.000 0.983 76 R CB -0.432 29.942 30.300 0.122 0.000 0.874 76 R HN 0.717 nan 8.270 nan 0.000 0.451 77 E N -0.686 119.517 120.200 0.006 0.000 2.107 77 E HA -0.097 4.187 4.350 -0.110 0.000 0.191 77 E C 1.639 178.230 176.600 -0.016 0.000 0.982 77 E CA 1.100 57.493 56.400 -0.012 0.000 0.809 77 E CB 0.165 29.845 29.700 -0.034 0.000 0.756 77 E HN 0.203 nan 8.360 nan 0.000 0.459 78 V N 0.668 120.568 119.914 -0.024 0.000 2.392 78 V HA -0.265 3.789 4.120 -0.110 0.000 0.249 78 V C 2.412 178.551 176.094 0.075 0.000 1.059 78 V CA 1.857 64.161 62.300 0.007 0.000 1.051 78 V CB -0.544 31.300 31.823 0.034 0.000 0.658 78 V HN 0.275 nan 8.190 nan 0.000 0.455 79 S N 0.510 116.264 115.700 0.090 0.000 2.344 79 S HA -0.231 4.173 4.470 -0.110 0.000 0.217 79 S C 1.952 176.600 174.600 0.080 0.000 1.033 79 S CA 1.968 60.238 58.200 0.116 0.000 1.017 79 S CB -0.482 62.783 63.200 0.108 0.000 0.941 79 S HN 0.676 nan 8.310 nan 0.000 0.430 80 N N 1.169 119.894 118.700 0.042 0.000 2.132 80 N HA -0.124 4.550 4.740 -0.110 0.000 0.191 80 N C 1.614 177.142 175.510 0.029 0.000 1.015 80 N CA 1.379 54.442 53.050 0.021 0.000 0.864 80 N CB -0.394 38.090 38.487 -0.005 0.000 1.006 80 N HN 0.372 nan 8.380 nan 0.000 0.430 81 K N -0.480 119.937 120.400 0.028 0.000 2.211 81 K HA 0.229 4.483 4.320 -0.110 0.000 0.201 81 K C 1.526 178.150 176.600 0.040 0.000 1.052 81 K CA 0.445 56.746 56.287 0.023 0.000 0.973 81 K CB 0.409 32.910 32.500 0.001 0.000 0.766 81 K HN 0.117 nan 8.250 nan 0.000 0.466 82 I N -1.105 119.500 120.570 0.059 0.000 3.812 82 I HA 0.004 4.108 4.170 -0.110 0.000 0.292 82 I C 1.618 177.790 176.117 0.092 0.000 1.206 82 I CA 0.561 61.899 61.300 0.064 0.000 1.370 82 I CB -0.284 37.754 38.000 0.064 0.000 1.328 82 I HN -0.207 nan 8.210 nan 0.000 0.453 83 V N 1.336 121.325 119.914 0.124 0.000 2.725 83 V HA 0.176 4.230 4.120 -0.110 0.000 0.247 83 V C 1.460 177.684 176.094 0.218 0.000 1.058 83 V CA 0.853 63.258 62.300 0.174 0.000 1.080 83 V CB -0.774 31.188 31.823 0.232 0.000 0.713 83 V HN 0.369 nan 8.190 nan 0.000 0.465 84 G N -0.311 108.587 108.800 0.165 0.000 2.507 84 G HA2 0.505 4.399 3.960 -0.110 0.000 0.271 84 G HA3 0.505 4.399 3.960 -0.110 0.000 0.271 84 G C -0.948 174.089 174.900 0.228 0.000 1.189 84 G CA -0.024 45.153 45.100 0.128 0.000 0.859 84 G HN 0.511 nan 8.290 nan 0.000 0.542 85 Y N -1.797 118.533 120.300 0.049 0.000 2.677 85 Y HA 0.537 5.021 4.550 -0.111 0.000 0.334 85 Y C -0.337 175.587 175.900 0.040 0.000 1.196 85 Y CA -1.228 56.896 58.100 0.041 0.000 1.059 85 Y CB 0.938 39.425 38.460 0.045 0.000 1.315 85 Y HN 0.269 nan 8.280 nan 0.000 0.455 86 L N 0.141 121.448 121.223 0.141 0.000 2.609 86 L HA 0.269 4.543 4.340 -0.110 0.000 0.230 86 L C -0.107 176.840 176.870 0.127 0.000 1.064 86 L CA 0.277 55.141 54.840 0.040 0.000 0.873 86 L CB 0.489 42.574 42.059 0.043 0.000 1.139 86 L HN 0.623 nan 8.230 nan 0.000 0.490 87 D N 0.778 121.349 120.400 0.285 0.000 2.396 87 D HA 0.068 4.642 4.640 -0.110 0.000 0.225 87 D C 0.738 177.218 176.300 0.300 0.000 1.121 87 D CA 0.020 54.151 54.000 0.218 0.000 0.853 87 D CB 1.292 42.180 40.800 0.147 0.000 1.043 87 D HN -0.017 nan 8.370 nan 0.000 0.500 88 E N 1.753 122.097 120.200 0.239 0.000 2.427 88 E HA -0.067 4.217 4.350 -0.110 0.000 0.196 88 E C 0.101 176.793 176.600 0.153 0.000 1.028 88 E CA 0.225 56.776 56.400 0.252 0.000 0.864 88 E CB 0.048 29.857 29.700 0.182 0.000 0.813 88 E HN 0.543 nan 8.360 nan 0.000 0.514 89 D N -0.176 120.291 120.400 0.112 0.000 2.425 89 D HA 0.172 4.746 4.640 -0.110 0.000 0.247 89 D C 1.088 177.421 176.300 0.056 0.000 1.147 89 D CA 1.270 55.316 54.000 0.076 0.000 0.879 89 D CB 0.440 41.277 40.800 0.062 0.000 1.179 89 D HN 0.178 nan 8.370 nan 0.000 0.456 90 G N 2.112 110.940 108.800 0.046 0.000 2.175 90 G HA2 -0.258 3.636 3.960 -0.110 0.000 0.244 90 G HA3 -0.258 3.636 3.960 -0.110 0.000 0.244 90 G C 0.887 175.797 174.900 0.017 0.000 0.982 90 G CA 0.190 45.306 45.100 0.027 0.000 0.641 90 G HN 0.633 nan 8.290 nan 0.000 0.527 91 V N 1.173 121.105 119.914 0.031 0.000 3.506 91 V HA 0.404 4.458 4.120 -0.110 0.000 0.263 91 V C 1.499 177.622 176.094 0.049 0.000 1.203 91 V CA 0.516 62.826 62.300 0.017 0.000 1.133 91 V CB -0.120 31.715 31.823 0.021 0.000 0.802 91 V HN 0.400 nan 8.190 nan 0.000 0.459 92 L N 0.886 122.145 121.223 0.062 0.000 2.439 92 L HA 0.266 4.540 4.340 -0.110 0.000 0.269 92 L C 0.267 177.174 176.870 0.061 0.000 1.179 92 L CA -0.061 54.824 54.840 0.075 0.000 0.828 92 L CB 0.175 42.281 42.059 0.079 0.000 1.106 92 L HN 0.086 nan 8.230 nan 0.000 0.467 93 D N 1.899 122.342 120.400 0.073 0.000 2.352 93 D HA 0.002 4.576 4.640 -0.110 0.000 0.245 93 D C 0.728 177.048 176.300 0.033 0.000 1.224 93 D CA -0.110 53.919 54.000 0.049 0.000 0.879 93 D CB 1.420 42.256 40.800 0.059 0.000 1.057 93 D HN 0.406 nan 8.370 nan 0.000 0.491 94 Q N 2.555 122.366 119.800 0.019 0.000 2.368 94 Q HA -0.098 4.176 4.340 -0.110 0.000 0.210 94 Q C 0.506 176.510 176.000 0.006 0.000 0.982 94 Q CA 1.041 56.855 55.803 0.018 0.000 0.884 94 Q CB -0.009 28.736 28.738 0.013 0.000 0.933 94 Q HN 0.352 nan 8.270 nan 0.000 0.460 95 N N -0.236 118.450 118.700 -0.023 0.000 2.377 95 N HA 0.114 4.788 4.740 -0.110 0.000 0.259 95 N C -1.433 174.020 175.510 -0.094 0.000 1.332 95 N CA -0.094 52.929 53.050 -0.046 0.000 0.877 95 N CB 0.545 38.996 38.487 -0.059 0.000 1.299 95 N HN -0.133 nan 8.380 nan 0.000 0.501 96 R N 0.351 120.809 120.500 -0.070 0.000 2.538 96 R HA 0.342 4.616 4.340 -0.110 0.000 0.292 96 R C -0.325 176.027 176.300 0.086 0.000 1.008 96 R CA -0.511 55.539 56.100 -0.083 0.000 0.896 96 R CB 1.250 31.369 30.300 -0.301 0.000 1.187 96 R HN 0.251 nan 8.270 nan 0.000 0.440 97 S N 1.314 117.103 115.700 0.148 0.000 2.600 97 S HA 0.069 4.473 4.470 -0.110 0.000 0.265 97 S C 1.287 176.028 174.600 0.234 0.000 1.325 97 S CA -0.666 57.635 58.200 0.167 0.000 1.002 97 S CB 0.814 64.087 63.200 0.122 0.000 0.921 97 S HN 0.571 nan 8.310 nan 0.000 0.554 98 L N 0.857 122.191 121.223 0.184 0.000 2.261 98 L HA 0.036 4.310 4.340 -0.110 0.000 0.216 98 L C 1.962 178.945 176.870 0.188 0.000 1.114 98 L CA 1.366 56.315 54.840 0.182 0.000 0.777 98 L CB -1.055 41.084 42.059 0.133 0.000 0.910 98 L HN 0.840 nan 8.230 nan 0.000 0.440 99 L N -1.680 119.638 121.223 0.158 0.000 2.201 99 L HA -0.143 4.131 4.340 -0.110 0.000 0.212 99 L C 2.195 179.280 176.870 0.359 0.000 1.105 99 L CA 1.383 56.283 54.840 0.100 0.000 0.775 99 L CB -0.766 41.182 42.059 -0.186 0.000 0.913 99 L HN 0.333 nan 8.230 nan 0.000 0.440 100 F N -0.010 120.169 119.950 0.382 0.000 2.043 100 F HA -0.313 4.147 4.527 -0.113 0.000 0.297 100 F C 2.494 178.530 175.800 0.394 0.000 1.121 100 F CA 2.511 60.824 58.000 0.521 0.000 1.199 100 F CB -0.462 38.761 39.000 0.373 0.000 0.968 100 F HN 0.208 nan 8.300 nan 0.000 0.478 101 M N 0.063 119.792 119.600 0.215 0.000 2.082 101 M HA -0.285 4.129 4.480 -0.110 0.000 0.258 101 M C 2.250 178.528 176.300 -0.036 0.000 1.069 101 M CA 2.299 57.614 55.300 0.025 0.000 1.102 101 M CB -0.671 31.997 32.600 0.115 0.000 1.336 101 M HN 0.381 nan 8.290 nan 0.000 0.404 102 Q N -0.060 119.769 119.800 0.048 0.000 2.167 102 Q HA -0.200 4.074 4.340 -0.110 0.000 0.202 102 Q C 1.768 177.736 176.000 -0.054 0.000 0.970 102 Q CA 2.048 57.845 55.803 -0.009 0.000 0.855 102 Q CB -0.774 27.988 28.738 0.040 0.000 0.911 102 Q HN 0.741 nan 8.270 nan 0.000 0.438 103 W N -0.015 121.183 121.300 -0.169 0.000 2.381 103 W HA -0.057 4.539 4.660 -0.106 0.000 0.301 103 W C 1.640 177.860 176.519 -0.499 0.000 1.205 103 W CA 1.419 58.600 57.345 -0.275 0.000 1.285 103 W CB -0.452 28.921 29.460 -0.146 0.000 1.133 103 W HN 0.322 nan 8.180 nan 0.000 0.521 104 G N 0.599 109.079 108.800 -0.533 0.000 2.505 104 G HA2 -0.403 3.491 3.960 -0.110 0.000 0.220 104 G HA3 -0.403 3.491 3.960 -0.110 0.000 0.220 104 G C 1.432 175.944 174.900 -0.647 0.000 1.145 104 G CA 1.321 46.120 45.100 -0.501 0.000 0.761 104 G HN 0.424 nan 8.290 nan 0.000 0.571 105 Q N -0.614 118.826 119.800 -0.600 0.000 2.167 105 Q HA -0.034 4.240 4.340 -0.110 0.000 0.202 105 Q C 2.523 178.038 176.000 -0.809 0.000 0.970 105 Q CA 0.727 56.102 55.803 -0.714 0.000 0.855 105 Q CB -0.114 28.291 28.738 -0.554 0.000 0.911 105 Q HN 0.493 nan 8.270 nan 0.000 0.438 106 I N -0.571 119.569 120.570 -0.716 0.000 2.202 106 I HA -0.256 3.848 4.170 -0.110 0.000 0.242 106 I C 2.174 177.937 176.117 -0.589 0.000 1.091 106 I CA 0.810 61.684 61.300 -0.709 0.000 1.368 106 I CB -0.396 37.053 38.000 -0.919 0.000 1.058 106 I HN 0.026 nan 8.210 nan 0.000 0.410 107 V N 0.563 120.076 119.914 -0.669 0.000 2.255 107 V HA -0.351 3.703 4.120 -0.110 0.000 0.247 107 V C 2.357 178.460 176.094 0.014 0.000 1.051 107 V CA 2.302 64.466 62.300 -0.227 0.000 1.018 107 V CB -0.723 31.085 31.823 -0.025 0.000 0.641 107 V HN 0.546 nan 8.190 nan 0.000 0.445 108 D N -0.753 119.490 120.400 -0.262 0.000 2.116 108 D HA -0.258 4.316 4.640 -0.110 0.000 0.193 108 D C 1.929 178.243 176.300 0.023 0.000 0.998 108 D CA 1.976 55.794 54.000 -0.303 0.000 0.836 108 D CB -0.156 40.111 40.800 -0.888 0.000 0.951 108 D HN 0.688 nan 8.370 nan 0.000 0.449 109 H N -0.684 118.265 119.070 -0.203 0.000 2.495 109 H HA -0.068 4.422 4.556 -0.110 0.000 0.287 109 H C 1.655 176.954 175.328 -0.049 0.000 1.033 109 H CA 0.464 56.428 56.048 -0.140 0.000 1.307 109 H CB 0.359 30.017 29.762 -0.173 0.000 1.401 109 H HN 0.167 nan 8.280 nan 0.000 0.555 110 D N 0.683 121.139 120.400 0.094 0.000 2.224 110 D HA -0.076 4.498 4.640 -0.110 0.000 0.205 110 D C 1.885 178.277 176.300 0.154 0.000 0.965 110 D CA 0.624 54.692 54.000 0.114 0.000 0.852 110 D CB 0.373 41.237 40.800 0.107 0.000 0.947 110 D HN 0.378 nan 8.370 nan 0.000 0.494 111 L N -0.087 121.244 121.223 0.180 0.000 2.388 111 L HA 0.166 4.440 4.340 -0.110 0.000 0.209 111 L C 0.432 177.392 176.870 0.149 0.000 1.061 111 L CA 0.336 55.281 54.840 0.175 0.000 0.834 111 L CB 0.206 42.414 42.059 0.248 0.000 1.029 111 L HN -0.053 nan 8.230 nan 0.000 0.473 112 D N -1.356 119.147 120.400 0.172 0.000 2.753 112 D HA 0.346 4.920 4.640 -0.110 0.000 0.224 112 D C -1.520 174.895 176.300 0.191 0.000 1.213 112 D CA -0.376 53.717 54.000 0.156 0.000 0.833 112 D CB 3.157 44.047 40.800 0.152 0.000 1.607 112 D HN -0.237 nan 8.370 nan 0.000 0.463 113 F N 1.013 120.956 119.950 -0.013 0.000 2.787 113 F HA 0.521 4.982 4.527 -0.109 0.000 0.340 113 F C -1.709 174.087 175.800 -0.008 0.000 1.232 113 F CA -1.140 56.836 58.000 -0.040 0.000 1.051 113 F CB 1.690 40.667 39.000 -0.039 0.000 1.330 113 F HN 0.585 nan 8.300 nan 0.000 0.522 114 A N 7.753 130.577 122.820 0.007 0.000 2.540 114 A HA 0.719 4.973 4.320 -0.110 0.000 0.340 114 A C -2.686 174.693 177.584 -0.343 0.000 1.424 114 A CA -1.436 50.521 52.037 -0.135 0.000 0.940 114 A CB -0.415 18.672 19.000 0.145 0.000 1.149 114 A HN 0.423 nan 8.150 nan 0.000 0.505 115 P HA 0.198 nan 4.420 nan 0.000 0.272 115 P C 0.050 177.182 177.300 -0.280 0.000 1.230 115 P CA -0.216 62.454 63.100 -0.717 0.000 0.788 115 P CB 0.617 31.847 31.700 -0.783 0.000 0.949 116 E N -0.298 119.791 120.200 -0.184 0.000 2.392 116 E HA 0.162 4.446 4.350 -0.110 0.000 0.259 116 E C 0.098 176.627 176.600 -0.118 0.000 1.108 116 E CA -0.203 56.133 56.400 -0.108 0.000 0.916 116 E CB 0.278 29.918 29.700 -0.100 0.000 0.989 116 E HN 0.480 nan 8.360 nan 0.000 0.432 117 T N -0.941 113.586 114.554 -0.045 0.000 2.919 117 T HA 0.074 4.358 4.350 -0.110 0.000 0.302 117 T C 0.626 175.249 174.700 -0.129 0.000 1.031 117 T CA -0.522 61.549 62.100 -0.048 0.000 1.127 117 T CB 1.766 70.678 68.868 0.073 0.000 0.952 117 T HN 0.524 nan 8.240 nan 0.000 0.540 118 E N 0.788 120.901 120.200 -0.145 0.000 2.115 118 E HA 0.172 4.456 4.350 -0.110 0.000 0.213 118 E C 0.229 176.747 176.600 -0.137 0.000 0.936 118 E CA -0.216 56.073 56.400 -0.186 0.000 0.947 118 E CB 0.027 29.618 29.700 -0.180 0.000 1.169 118 E HN 0.568 nan 8.360 nan 0.000 0.497 119 L N 0.051 121.214 121.223 -0.099 0.000 3.737 119 L HA -0.229 4.045 4.340 -0.110 0.000 0.418 119 L C -0.151 176.676 176.870 -0.071 0.000 1.216 119 L CA 1.138 55.941 54.840 -0.063 0.000 0.915 119 L CB -1.537 40.513 42.059 -0.015 0.000 1.834 119 L HN 0.382 nan 8.230 nan 0.000 0.943 120 G N -1.867 106.870 108.800 -0.105 0.000 2.718 120 G HA2 0.421 4.315 3.960 -0.110 0.000 0.302 120 G HA3 0.421 4.315 3.960 -0.110 0.000 0.302 120 G C 0.240 175.065 174.900 -0.125 0.000 2.393 120 G CA 0.116 45.151 45.100 -0.108 0.000 0.854 120 G HN -0.017 nan 8.290 nan 0.000 0.388 121 S N 0.815 116.452 115.700 -0.105 0.000 2.671 121 S HA 0.241 4.645 4.470 -0.110 0.000 0.220 121 S C 0.473 175.015 174.600 -0.096 0.000 0.951 121 S CA -0.078 58.059 58.200 -0.104 0.000 0.932 121 S CB -0.088 63.059 63.200 -0.087 0.000 0.777 121 S HN 0.749 nan 8.310 nan 0.000 0.508 122 N N 0.829 119.470 118.700 -0.098 0.000 8.010 122 N HA 0.063 4.737 4.740 -0.110 0.000 0.068 122 N C -1.696 173.755 175.510 -0.098 0.000 0.835 122 N CA 0.126 53.119 53.050 -0.096 0.000 1.327 122 N CB 0.427 38.860 38.487 -0.090 0.000 1.135 122 N HN 0.127 nan 8.380 nan 0.000 1.384 123 E N 0.767 120.909 120.200 -0.097 0.000 2.419 123 E HA 0.271 4.555 4.350 -0.110 0.000 0.285 123 E C -0.853 175.740 176.600 -0.012 0.000 1.079 123 E CA -0.365 55.988 56.400 -0.079 0.000 0.864 123 E CB 0.481 30.160 29.700 -0.035 0.000 1.216 123 E HN 0.601 nan 8.360 nan 0.000 0.428 124 H N 0.958 120.045 119.070 0.028 0.000 2.556 124 H HA 0.063 4.553 4.556 -0.110 0.000 0.268 124 H C 1.359 176.737 175.328 0.083 0.000 0.996 124 H CA 0.802 56.883 56.048 0.055 0.000 1.157 124 H CB 0.637 30.433 29.762 0.058 0.000 1.355 124 H HN 0.300 nan 8.280 nan 0.000 0.597 125 S N 0.973 116.782 115.700 0.183 0.000 2.377 125 S HA -0.101 4.303 4.470 -0.110 0.000 0.223 125 S C 1.815 176.552 174.600 0.229 0.000 1.030 125 S CA 0.605 58.917 58.200 0.187 0.000 0.970 125 S CB 0.086 63.375 63.200 0.147 0.000 0.830 125 S HN 0.551 nan 8.310 nan 0.000 0.473 126 K N 0.123 120.600 120.400 0.128 0.000 2.632 126 K HA 0.147 4.400 4.320 -0.110 0.000 0.196 126 K C 0.492 177.211 176.600 0.198 0.000 1.023 126 K CA 0.770 57.125 56.287 0.115 0.000 1.098 126 K CB -0.002 32.426 32.500 -0.121 0.000 0.862 126 K HN 0.192 nan 8.250 nan 0.000 0.504 127 T N -0.605 114.072 114.554 0.206 0.000 3.151 127 T HA -0.036 4.248 4.350 -0.110 0.000 0.257 127 T C 1.253 176.035 174.700 0.138 0.000 0.872 127 T CA -0.278 61.918 62.100 0.159 0.000 0.873 127 T CB 0.198 69.154 68.868 0.148 0.000 1.272 127 T HN 0.250 nan 8.240 nan 0.000 0.543 128 Q N 0.226 120.137 119.800 0.185 0.000 2.291 128 Q HA -0.081 4.193 4.340 -0.110 0.000 0.205 128 Q C 2.268 178.367 176.000 0.164 0.000 0.970 128 Q CA 1.021 56.946 55.803 0.203 0.000 0.876 128 Q CB -0.171 28.675 28.738 0.180 0.000 0.935 128 Q HN 0.538 nan 8.270 nan 0.000 0.455 129 c N 0.038 118.736 118.600 0.164 0.000 2.522 129 c HA -0.023 4.481 4.570 -0.110 0.000 0.280 129 c C 2.484 176.566 174.090 -0.013 0.000 1.303 129 c CA 0.968 57.346 56.329 0.082 0.000 1.709 129 c CB -0.445 42.138 42.510 0.121 0.000 2.071 129 c HN 0.643 nan 8.230 nan 0.000 0.492 130 E N -0.064 120.158 120.200 0.036 0.000 2.107 130 E HA -0.150 4.134 4.350 -0.110 0.000 0.191 130 E C 2.049 178.560 176.600 -0.148 0.000 0.982 130 E CA 1.004 57.371 56.400 -0.056 0.000 0.809 130 E CB -0.008 29.717 29.700 0.042 0.000 0.756 130 E HN 0.520 nan 8.360 nan 0.000 0.459 131 E N -0.487 119.594 120.200 -0.197 0.000 2.072 131 E HA -0.123 4.161 4.350 -0.110 0.000 0.190 131 E C 1.020 177.194 176.600 -0.711 0.000 0.982 131 E CA 1.133 57.217 56.400 -0.526 0.000 0.803 131 E CB 0.059 29.312 29.700 -0.745 0.000 0.755 131 E HN 0.489 nan 8.360 nan 0.000 0.453 132 Y N -2.071 118.202 120.300 -0.046 0.000 2.527 132 Y HA 0.184 4.669 4.550 -0.110 0.000 0.247 132 Y C 0.686 176.537 175.900 -0.081 0.000 1.138 132 Y CA -0.358 57.707 58.100 -0.058 0.000 1.228 132 Y CB 0.338 38.771 38.460 -0.046 0.000 1.252 132 Y HN -0.094 nan 8.280 nan 0.000 0.531 133 c N 1.541 120.134 118.600 -0.011 0.000 4.397 133 c HA -0.242 4.262 4.570 -0.110 0.000 0.291 133 c C 0.597 174.650 174.090 -0.061 0.000 1.408 133 c CA -0.719 55.559 56.329 -0.085 0.000 1.971 133 c CB -3.155 39.270 42.510 -0.142 0.000 1.258 133 c HN 0.356 nan 8.230 nan 0.000 0.795 134 I N 1.104 121.673 120.570 -0.001 0.000 2.452 134 I HA 0.165 4.269 4.170 -0.110 0.000 0.287 134 I C 0.732 176.821 176.117 -0.047 0.000 1.079 134 I CA 0.661 61.950 61.300 -0.019 0.000 1.387 134 I CB 0.404 38.415 38.000 0.019 0.000 1.404 134 I HN 0.372 nan 8.210 nan 0.000 0.522 135 Q N 4.888 124.612 119.800 -0.126 0.000 2.337 135 Q HA 0.510 4.784 4.340 -0.110 0.000 0.270 135 Q C -0.125 175.799 176.000 -0.127 0.000 1.002 135 Q CA 0.001 55.669 55.803 -0.225 0.000 0.888 135 Q CB 0.975 29.423 28.738 -0.484 0.000 1.222 135 Q HN 0.924 nan 8.270 nan 0.000 0.400 136 G N 3.042 111.849 108.800 0.011 0.000 2.341 136 G HA2 0.208 4.102 3.960 -0.110 0.000 0.300 136 G HA3 0.208 4.102 3.960 -0.110 0.000 0.300 136 G C -1.259 173.842 174.900 0.335 0.000 1.706 136 G CA -0.289 44.937 45.100 0.210 0.000 0.916 136 G HN 0.746 nan 8.290 nan 0.000 0.716 137 D N 0.378 120.996 120.400 0.364 0.000 3.608 137 D HA -0.230 4.344 4.640 -0.110 0.000 0.152 137 D C 1.188 177.677 176.300 0.316 0.000 0.971 137 D CA 1.614 55.765 54.000 0.252 0.000 1.072 137 D CB -0.379 40.534 40.800 0.187 0.000 0.507 137 D HN 0.493 nan 8.370 nan 0.000 0.520 138 N N -0.008 118.862 118.700 0.283 0.000 2.383 138 N HA 0.071 4.745 4.740 -0.110 0.000 0.192 138 N C 0.068 175.834 175.510 0.427 0.000 1.141 138 N CA 0.102 53.347 53.050 0.326 0.000 0.851 138 N CB -0.237 38.417 38.487 0.279 0.000 0.976 138 N HN 0.344 nan 8.380 nan 0.000 0.465 139 c N 1.613 120.444 118.600 0.384 0.000 2.442 139 c HA 0.352 4.856 4.570 -0.110 0.000 0.362 139 c C -0.246 174.038 174.090 0.323 0.000 1.242 139 c CA -0.660 55.813 56.329 0.240 0.000 1.741 139 c CB -1.939 40.657 42.510 0.143 0.000 2.378 139 c HN 0.264 nan 8.230 nan 0.000 0.549 140 F N 9.678 129.718 119.950 0.150 0.000 2.550 140 F HA 0.493 4.953 4.527 -0.110 0.000 0.348 140 F C -2.481 173.329 175.800 0.017 0.000 1.219 140 F CA -3.284 54.813 58.000 0.162 0.000 1.203 140 F CB 0.567 39.844 39.000 0.462 0.000 1.436 140 F HN 0.447 nan 8.300 nan 0.000 0.541 141 P HA 0.244 nan 4.420 nan 0.000 0.275 141 P C -0.215 176.827 177.300 -0.430 0.000 1.228 141 P CA 0.030 62.966 63.100 -0.273 0.000 0.786 141 P CB 1.201 32.758 31.700 -0.239 0.000 0.927 142 I N 3.111 123.446 120.570 -0.393 0.000 2.281 142 I HA 0.153 4.257 4.170 -0.110 0.000 0.293 142 I C 0.560 176.434 176.117 -0.405 0.000 1.085 142 I CA -0.406 60.658 61.300 -0.393 0.000 1.257 142 I CB 0.118 37.950 38.000 -0.280 0.000 1.430 142 I HN 0.097 nan 8.210 nan 0.000 0.489 143 M N 6.103 125.503 119.600 -0.333 0.000 2.238 143 M HA 0.284 4.698 4.480 -0.110 0.000 0.347 143 M C -0.209 175.988 176.300 -0.172 0.000 1.173 143 M CA 0.114 55.229 55.300 -0.308 0.000 1.147 143 M CB -0.158 32.330 32.600 -0.187 0.000 1.547 143 M HN 0.255 nan 8.290 nan 0.000 0.455 144 F N 4.275 124.165 119.950 -0.100 0.000 2.427 144 F HA 0.273 4.734 4.527 -0.110 0.000 0.352 144 F C -1.238 174.521 175.800 -0.068 0.000 1.100 144 F CA -1.787 56.162 58.000 -0.084 0.000 1.191 144 F CB 0.555 39.506 39.000 -0.080 0.000 1.128 144 F HN 0.392 nan 8.300 nan 0.000 0.533 145 P HA 0.009 nan 4.420 nan 0.000 0.273 145 P C -1.023 176.302 177.300 0.042 0.000 1.250 145 P CA -0.672 62.461 63.100 0.054 0.000 0.793 145 P CB 0.720 32.434 31.700 0.023 0.000 1.011 146 K N 1.526 121.936 120.400 0.017 0.000 2.448 146 K HA -0.033 4.221 4.320 -0.110 0.000 0.278 146 K C 0.104 176.699 176.600 -0.007 0.000 1.009 146 K CA 0.058 56.349 56.287 0.007 0.000 0.995 146 K CB -0.335 32.166 32.500 0.002 0.000 0.917 146 K HN 0.375 nan 8.250 nan 0.000 0.481 147 N N 1.237 119.928 118.700 -0.016 0.000 2.925 147 N HA -0.185 4.489 4.740 -0.110 0.000 0.244 147 N C -1.167 174.310 175.510 -0.055 0.000 1.000 147 N CA 1.188 54.220 53.050 -0.030 0.000 0.895 147 N CB -1.240 37.233 38.487 -0.023 0.000 1.119 147 N HN 0.814 nan 8.380 nan 0.000 0.569 148 D N 1.046 121.401 120.400 -0.075 0.000 2.312 148 D HA 0.190 4.764 4.640 -0.110 0.000 0.252 148 D C -1.300 174.882 176.300 -0.196 0.000 1.150 148 D CA -1.586 52.323 54.000 -0.153 0.000 0.870 148 D CB 1.348 42.016 40.800 -0.221 0.000 1.153 148 D HN -0.014 nan 8.370 nan 0.000 0.457 149 P HA -0.136 nan 4.420 nan 0.000 0.216 149 P C 0.977 178.137 177.300 -0.233 0.000 1.150 149 P CA 1.252 64.252 63.100 -0.167 0.000 0.843 149 P CB 0.293 31.910 31.700 -0.138 0.000 0.787 150 K N -0.864 119.289 120.400 -0.413 0.000 2.360 150 K HA -0.082 4.172 4.320 -0.110 0.000 0.201 150 K C 1.996 178.361 176.600 -0.392 0.000 1.046 150 K CA 0.608 56.580 56.287 -0.526 0.000 0.945 150 K CB -0.595 31.346 32.500 -0.931 0.000 0.750 150 K HN 0.179 nan 8.250 nan 0.000 0.464 151 L N 1.098 122.142 121.223 -0.298 0.000 1.989 151 L HA -0.280 3.994 4.340 -0.110 0.000 0.211 151 L C 2.100 178.969 176.870 -0.002 0.000 1.071 151 L CA 1.657 56.500 54.840 0.004 0.000 0.749 151 L CB -0.267 41.801 42.059 0.015 0.000 0.890 151 L HN 0.163 nan 8.230 nan 0.000 0.431 152 K N -1.146 119.226 120.400 -0.047 0.000 2.209 152 K HA -0.157 4.097 4.320 -0.110 0.000 0.204 152 K C 1.801 178.387 176.600 -0.024 0.000 1.048 152 K CA 1.873 58.141 56.287 -0.031 0.000 0.940 152 K CB -0.154 32.321 32.500 -0.041 0.000 0.729 152 K HN 0.540 nan 8.250 nan 0.000 0.451 153 T N -3.477 111.055 114.554 -0.036 0.000 2.964 153 T HA 0.107 4.391 4.350 -0.110 0.000 0.249 153 T C 1.776 176.473 174.700 -0.005 0.000 1.000 153 T CA -0.258 61.828 62.100 -0.023 0.000 0.992 153 T CB 0.361 69.207 68.868 -0.036 0.000 1.087 153 T HN 0.001 nan 8.240 nan 0.000 0.489 154 Q N 0.523 120.328 119.800 0.009 0.000 2.387 154 Q HA 0.516 4.790 4.340 -0.110 0.000 0.212 154 Q C 1.160 177.204 176.000 0.072 0.000 0.925 154 Q CA 0.597 56.427 55.803 0.045 0.000 0.901 154 Q CB 1.066 29.846 28.738 0.069 0.000 1.020 154 Q HN 0.705 nan 8.270 nan 0.000 0.545 155 G N 0.011 108.895 108.800 0.139 0.000 2.288 155 G HA2 -0.090 3.804 3.960 -0.110 0.000 0.227 155 G HA3 -0.090 3.804 3.960 -0.110 0.000 0.227 155 G C -0.536 174.429 174.900 0.109 0.000 1.339 155 G CA -0.453 44.689 45.100 0.070 0.000 1.057 155 G HN -0.120 nan 8.290 nan 0.000 0.470 156 K N -0.542 119.816 120.400 -0.070 0.000 2.284 156 K HA 0.294 4.548 4.320 -0.110 0.000 0.198 156 K C 0.888 177.187 176.600 -0.502 0.000 1.048 156 K CA 1.389 57.593 56.287 -0.138 0.000 0.987 156 K CB 0.276 32.711 32.500 -0.109 0.000 0.800 156 K HN 1.073 nan 8.250 nan 0.000 0.486 157 c N -1.870 116.295 118.600 -0.724 0.000 3.332 157 c HA 0.638 5.142 4.570 -0.110 0.000 0.329 157 c C -0.939 172.607 174.090 -0.907 0.000 1.434 157 c CA -1.324 54.393 56.329 -1.019 0.000 1.314 157 c CB 0.952 43.137 42.510 -0.540 0.000 1.664 157 c HN 0.059 nan 8.230 nan 0.000 0.457 158 M N 3.177 122.351 119.600 -0.709 0.000 2.205 158 M HA 0.453 4.867 4.480 -0.110 0.000 0.344 158 M C -2.368 173.789 176.300 -0.238 0.000 1.085 158 M CA -1.493 53.566 55.300 -0.402 0.000 1.001 158 M CB 2.043 34.517 32.600 -0.210 0.000 1.626 158 M HN 0.578 nan 8.290 nan 0.000 0.442 159 P HA 0.157 nan 4.420 nan 0.000 0.269 159 P C -1.317 175.912 177.300 -0.118 0.000 1.209 159 P CA 0.178 63.123 63.100 -0.258 0.000 0.776 159 P CB 0.552 32.035 31.700 -0.362 0.000 0.876 160 F N 2.872 122.500 119.950 -0.537 0.000 2.622 160 F HA 0.510 4.971 4.527 -0.110 0.000 0.318 160 F C -1.927 173.577 175.800 -0.493 0.000 1.135 160 F CA -0.848 56.948 58.000 -0.339 0.000 1.015 160 F CB 1.151 40.038 39.000 -0.188 0.000 1.275 160 F HN 0.086 nan 8.300 nan 0.000 0.457 161 F N 4.776 124.561 119.950 -0.275 0.000 2.495 161 F HA 0.615 5.075 4.527 -0.110 0.000 0.327 161 F C 0.325 176.024 175.800 -0.170 0.000 1.103 161 F CA -0.918 57.041 58.000 -0.069 0.000 0.949 161 F CB 1.703 40.668 39.000 -0.058 0.000 1.142 161 F HN 0.267 nan 8.300 nan 0.000 0.457 162 R N 1.405 122.086 120.500 0.301 0.000 2.694 162 R HA 0.505 4.779 4.340 -0.110 0.000 0.268 162 R C 0.073 176.476 176.300 0.170 0.000 1.061 162 R CA -0.429 55.844 56.100 0.289 0.000 1.133 162 R CB 0.538 31.002 30.300 0.273 0.000 1.020 162 R HN 0.772 nan 8.270 nan 0.000 0.475 163 A N 1.541 124.458 122.820 0.162 0.000 2.406 163 A HA 0.364 4.618 4.320 -0.110 0.000 0.243 163 A C 0.620 178.269 177.584 0.109 0.000 1.082 163 A CA 0.044 52.138 52.037 0.094 0.000 0.786 163 A CB 0.239 19.300 19.000 0.101 0.000 1.029 163 A HN 0.779 nan 8.150 nan 0.000 0.495 164 G N -0.596 108.221 108.800 0.030 0.000 2.614 164 G HA2 0.470 4.364 3.960 -0.110 0.000 0.239 164 G HA3 0.470 4.364 3.960 -0.110 0.000 0.239 164 G C -0.401 174.571 174.900 0.120 0.000 1.240 164 G CA 0.156 45.267 45.100 0.018 0.000 0.842 164 G HN 1.219 nan 8.290 nan 0.000 0.584 165 F N -0.281 119.602 119.950 -0.113 0.000 2.601 165 F HA 0.658 5.119 4.527 -0.110 0.000 0.309 165 F C 0.080 175.808 175.800 -0.120 0.000 1.089 165 F CA -1.722 56.212 58.000 -0.109 0.000 0.940 165 F CB 0.445 39.385 39.000 -0.101 0.000 1.273 165 F HN 0.567 nan 8.300 nan 0.000 0.450 166 V N -0.882 119.032 119.914 -0.001 0.000 3.857 166 V HA 0.314 4.368 4.120 -0.110 0.000 0.275 166 V C 1.196 177.196 176.094 -0.156 0.000 0.992 166 V CA -0.656 61.588 62.300 -0.092 0.000 0.998 166 V CB -0.189 31.619 31.823 -0.024 0.000 1.234 166 V HN 1.389 nan 8.190 nan 0.000 0.438 167 c N -1.823 116.691 118.600 -0.144 0.000 0.168 167 c HA -0.197 4.307 4.570 -0.110 0.000 0.017 167 c C -0.649 173.236 174.090 -0.342 0.000 0.171 167 c CA 0.852 57.052 56.329 -0.215 0.000 0.499 167 c CB -3.052 39.313 42.510 -0.242 0.000 3.212 167 c HN 1.099 nan 8.230 nan 0.000 1.118 168 P HA 0.071 nan 4.420 nan 0.000 0.292 168 P C 0.580 177.539 177.300 -0.570 0.000 1.482 168 P CA 1.832 64.632 63.100 -0.501 0.000 1.028 168 P CB 0.068 31.318 31.700 -0.750 0.000 1.412 169 T N -3.819 110.446 114.554 -0.482 0.000 2.042 169 T HA 0.307 4.591 4.350 -0.110 0.000 0.161 169 T C -2.411 172.195 174.700 -0.157 0.000 0.728 169 T CA -0.352 61.432 62.100 -0.528 0.000 0.909 169 T CB -1.188 67.481 68.868 -0.333 0.000 2.974 169 T HN 0.157 nan 8.240 nan 0.000 0.385 170 P HA -0.136 nan 4.420 nan 0.000 0.299 170 P C -2.725 174.754 177.300 0.299 0.000 1.963 170 P CA 0.131 63.315 63.100 0.139 0.000 1.756 170 P CB -1.029 30.741 31.700 0.115 0.000 0.264 171 P HA 0.095 nan 4.420 nan 0.000 0.262 171 P C -0.758 176.676 177.300 0.224 0.000 1.199 171 P CA 1.048 64.250 63.100 0.170 0.000 0.763 171 P CB -0.136 31.598 31.700 0.056 0.000 0.790 172 Y N 1.828 122.167 120.300 0.065 0.000 2.602 172 Y HA 0.333 4.817 4.550 -0.109 0.000 0.342 172 Y C 1.169 177.026 175.900 -0.071 0.000 1.029 172 Y CA -0.285 57.850 58.100 0.059 0.000 1.080 172 Y CB 2.145 40.769 38.460 0.273 0.000 1.284 172 Y HN 0.414 nan 8.280 nan 0.000 0.485 173 Q N -0.515 119.207 119.800 -0.130 0.000 3.016 173 Q HA 0.317 4.591 4.340 -0.110 0.000 0.209 173 Q C 0.927 176.911 176.000 -0.026 0.000 1.139 173 Q CA 0.212 55.928 55.803 -0.144 0.000 0.342 173 Q CB 0.271 28.852 28.738 -0.261 0.000 5.522 173 Q HN 0.660 nan 8.270 nan 0.000 0.305 174 S N 1.239 116.912 115.700 -0.045 0.000 2.287 174 S HA -0.286 4.118 4.470 -0.110 0.000 0.522 174 S C 0.884 175.493 174.600 0.015 0.000 0.946 174 S CA 2.169 60.370 58.200 0.003 0.000 3.250 174 S CB -1.463 61.773 63.200 0.060 0.000 2.279 174 S HN 0.469 nan 8.310 nan 0.000 0.548 175 L N 1.420 122.676 121.223 0.055 0.000 2.469 175 L HA 0.600 4.874 4.340 -0.110 0.000 0.253 175 L C 0.538 177.426 176.870 0.029 0.000 1.143 175 L CA -0.229 54.645 54.840 0.056 0.000 0.804 175 L CB 0.516 42.628 42.059 0.089 0.000 1.214 175 L HN 0.550 nan 8.230 nan 0.000 0.476 176 A N 1.563 124.417 122.820 0.057 0.000 2.386 176 A HA 0.229 4.483 4.320 -0.110 0.000 0.248 176 A C -0.011 177.600 177.584 0.045 0.000 1.082 176 A CA -0.244 51.828 52.037 0.059 0.000 0.789 176 A CB 0.112 19.222 19.000 0.184 0.000 1.025 176 A HN 0.753 nan 8.150 nan 0.000 0.490 177 R N 1.347 121.798 120.500 -0.082 0.000 2.404 177 R HA 0.117 4.391 4.340 -0.110 0.000 0.315 177 R C -0.900 175.455 176.300 0.091 0.000 1.032 177 R CA 0.194 56.217 56.100 -0.127 0.000 0.992 177 R CB 0.207 30.209 30.300 -0.497 0.000 0.959 177 R HN 0.667 nan 8.270 nan 0.000 0.428 178 E N 4.247 124.511 120.200 0.107 0.000 2.145 178 E HA 0.113 4.397 4.350 -0.110 0.000 0.270 178 E C -0.689 175.973 176.600 0.103 0.000 0.906 178 E CA -0.921 55.549 56.400 0.117 0.000 0.761 178 E CB 1.834 31.598 29.700 0.106 0.000 1.116 178 E HN 0.527 nan 8.360 nan 0.000 0.408 179 Q N 1.156 120.981 119.800 0.042 0.000 2.417 179 Q HA 0.310 4.584 4.340 -0.110 0.000 0.241 179 Q C 0.089 176.100 176.000 0.018 0.000 1.008 179 Q CA 0.130 55.925 55.803 -0.013 0.000 0.901 179 Q CB 0.735 29.340 28.738 -0.220 0.000 1.259 179 Q HN 0.469 nan 8.270 nan 0.000 0.489 180 I N 1.484 122.048 120.570 -0.010 0.000 2.499 180 I HA 0.177 4.281 4.170 -0.110 0.000 0.296 180 I C -0.020 176.083 176.117 -0.023 0.000 0.992 180 I CA -0.584 60.698 61.300 -0.030 0.000 1.297 180 I CB 1.025 38.975 38.000 -0.083 0.000 1.410 180 I HN 0.476 nan 8.210 nan 0.000 0.507 181 N N 4.180 122.876 118.700 -0.007 0.000 2.501 181 N HA 0.364 5.038 4.740 -0.110 0.000 0.245 181 N C 0.146 175.664 175.510 0.014 0.000 0.974 181 N CA -0.389 52.669 53.050 0.013 0.000 0.941 181 N CB 1.678 40.181 38.487 0.028 0.000 1.122 181 N HN 0.681 nan 8.380 nan 0.000 0.507 182 A N 2.660 125.482 122.820 0.004 0.000 2.252 182 A HA 0.246 4.500 4.320 -0.110 0.000 0.207 182 A C 0.203 177.868 177.584 0.134 0.000 1.194 182 A CA 0.196 52.255 52.037 0.037 0.000 0.809 182 A CB 0.039 19.017 19.000 -0.036 0.000 0.814 182 A HN 0.386 nan 8.150 nan 0.000 0.482 183 V N -0.588 119.407 119.914 0.135 0.000 3.102 183 V HA 0.414 4.468 4.120 -0.110 0.000 0.312 183 V C 0.436 176.596 176.094 0.110 0.000 1.135 183 V CA -0.287 62.101 62.300 0.146 0.000 1.022 183 V CB 2.108 34.035 31.823 0.174 0.000 1.056 183 V HN 0.415 nan 8.190 nan 0.000 0.436 184 T N -0.718 113.914 114.554 0.130 0.000 2.907 184 T HA 0.179 4.463 4.350 -0.110 0.000 0.298 184 T C 0.983 175.711 174.700 0.046 0.000 1.017 184 T CA 0.020 62.197 62.100 0.129 0.000 1.118 184 T CB 1.191 70.214 68.868 0.258 0.000 0.948 184 T HN 0.527 nan 8.240 nan 0.000 0.531 185 S N 1.447 117.054 115.700 -0.154 0.000 2.481 185 S HA 0.145 4.549 4.470 -0.110 0.000 0.231 185 S C 0.241 174.667 174.600 -0.289 0.000 0.996 185 S CA 0.170 58.197 58.200 -0.287 0.000 0.942 185 S CB -0.517 62.416 63.200 -0.445 0.000 0.768 185 S HN 0.690 nan 8.310 nan 0.000 0.520 186 F N 1.358 121.401 119.950 0.155 0.000 2.443 186 F HA 0.253 4.713 4.527 -0.111 0.000 0.353 186 F C 0.606 176.547 175.800 0.235 0.000 1.101 186 F CA -0.688 57.436 58.000 0.207 0.000 1.226 186 F CB 0.307 39.437 39.000 0.218 0.000 1.140 186 F HN -0.036 nan 8.300 nan 0.000 0.557 187 L N 4.418 125.927 121.223 0.476 0.000 2.617 187 L HA 0.025 4.299 4.340 -0.110 0.000 0.282 187 L C -0.090 177.015 176.870 0.391 0.000 1.174 187 L CA 0.308 55.412 54.840 0.439 0.000 1.016 187 L CB -0.379 42.015 42.059 0.559 0.000 1.337 187 L HN 0.795 nan 8.230 nan 0.000 0.460 188 D N 2.134 122.729 120.400 0.324 0.000 2.602 188 D HA 0.098 4.672 4.640 -0.110 0.000 0.265 188 D C 0.626 177.078 176.300 0.252 0.000 1.454 188 D CA 0.294 54.457 54.000 0.272 0.000 0.795 188 D CB 0.370 41.332 40.800 0.270 0.000 1.140 188 D HN 0.355 nan 8.370 nan 0.000 0.486 189 A N 0.834 123.803 122.820 0.248 0.000 2.860 189 A HA -0.261 3.993 4.320 -0.110 0.000 0.267 189 A C 1.786 179.517 177.584 0.244 0.000 1.421 189 A CA 1.269 53.447 52.037 0.235 0.000 0.831 189 A CB -2.668 16.524 19.000 0.320 0.000 1.041 189 A HN 0.841 nan 8.150 nan 0.000 0.623 190 S N -0.521 115.306 115.700 0.213 0.000 2.465 190 S HA -0.118 4.286 4.470 -0.110 0.000 0.241 190 S C 1.685 176.355 174.600 0.117 0.000 1.000 190 S CA 1.383 59.696 58.200 0.188 0.000 0.964 190 S CB -0.868 62.437 63.200 0.176 0.000 0.763 190 S HN 1.796 nan 8.310 nan 0.000 0.512 191 L N -1.063 120.210 121.223 0.084 0.000 2.395 191 L HA 0.241 4.515 4.340 -0.110 0.000 0.218 191 L C 1.820 178.726 176.870 0.060 0.000 1.130 191 L CA 0.503 55.389 54.840 0.076 0.000 0.826 191 L CB -0.306 41.789 42.059 0.061 0.000 0.941 191 L HN 0.161 nan 8.230 nan 0.000 0.451 192 V N -0.845 119.020 119.914 -0.082 0.000 2.672 192 V HA -0.047 4.007 4.120 -0.110 0.000 0.242 192 V C 1.777 177.598 176.094 -0.456 0.000 1.059 192 V CA 1.133 63.233 62.300 -0.334 0.000 1.081 192 V CB -0.431 30.996 31.823 -0.660 0.000 0.752 192 V HN 0.386 nan 8.190 nan 0.000 0.472 193 Y N 0.664 120.965 120.300 0.002 0.000 2.497 193 Y HA 0.548 5.027 4.550 -0.119 0.000 0.265 193 Y C 1.367 177.275 175.900 0.013 0.000 1.111 193 Y CA 0.573 58.679 58.100 0.010 0.000 1.288 193 Y CB 0.432 38.905 38.460 0.021 0.000 1.082 193 Y HN 0.347 nan 8.280 nan 0.000 0.536 194 G N -0.257 108.604 108.800 0.102 0.000 2.612 194 G HA2 -0.150 3.744 3.960 -0.110 0.000 0.686 194 G HA3 -0.150 3.744 3.960 -0.110 0.000 0.686 194 G C 0.188 175.147 174.900 0.098 0.000 1.274 194 G CA -0.194 44.933 45.100 0.045 0.000 0.849 194 G HN -0.009 nan 8.290 nan 0.000 0.595 195 S N -0.050 115.700 115.700 0.084 0.000 2.603 195 S HA 0.298 4.701 4.470 -0.110 0.000 0.232 195 S C 0.464 175.123 174.600 0.098 0.000 1.016 195 S CA 0.555 58.821 58.200 0.109 0.000 0.976 195 S CB 0.313 63.586 63.200 0.123 0.000 0.921 195 S HN 0.555 nan 8.310 nan 0.000 0.516 196 E N 1.642 121.892 120.200 0.083 0.000 2.238 196 E HA 0.392 4.676 4.350 -0.110 0.000 0.267 196 E C -2.749 173.885 176.600 0.057 0.000 0.887 196 E CA -2.345 54.099 56.400 0.072 0.000 0.769 196 E CB 1.647 31.396 29.700 0.082 0.000 1.187 196 E HN 0.024 nan 8.360 nan 0.000 0.416 200 A N -0.016 122.815 122.820 0.019 0.000 1.917 200 A HA -0.240 4.014 4.320 -0.110 0.000 0.219 200 A C 2.341 179.918 177.584 -0.012 0.000 1.182 200 A CA 2.921 54.984 52.037 0.043 0.000 0.633 200 A CB -1.041 18.004 19.000 0.075 0.000 0.819 200 A HN 0.647 nan 8.150 nan 0.000 0.448 201 S N -0.909 114.768 115.700 -0.039 0.000 2.355 201 S HA -0.196 4.208 4.470 -0.110 0.000 0.222 201 S C 2.215 176.780 174.600 -0.059 0.000 1.031 201 S CA 1.313 59.468 58.200 -0.075 0.000 0.993 201 S CB -0.453 62.712 63.200 -0.060 0.000 0.859 201 S HN 0.568 nan 8.310 nan 0.000 0.453 202 R N -0.061 120.421 120.500 -0.032 0.000 2.113 202 R HA -0.109 4.164 4.340 -0.110 0.000 0.244 202 R C 2.066 178.346 176.300 -0.034 0.000 1.142 202 R CA 1.715 57.801 56.100 -0.024 0.000 0.953 202 R CB -0.633 29.663 30.300 -0.007 0.000 0.860 202 R HN 0.390 nan 8.270 nan 0.000 0.438 203 L N 1.143 122.343 121.223 -0.039 0.000 2.191 203 L HA -0.102 4.172 4.340 -0.110 0.000 0.212 203 L C 0.951 177.794 176.870 -0.046 0.000 1.103 203 L CA 1.453 56.265 54.840 -0.047 0.000 0.769 203 L CB -0.834 41.200 42.059 -0.041 0.000 0.908 203 L HN 0.227 nan 8.230 nan 0.000 0.438 204 Q N -0.226 119.539 119.800 -0.057 0.000 2.368 204 Q HA 0.061 4.335 4.340 -0.110 0.000 0.237 204 Q C 0.182 176.151 176.000 -0.051 0.000 0.987 204 Q CA -0.367 55.391 55.803 -0.075 0.000 0.896 204 Q CB 0.601 29.223 28.738 -0.194 0.000 1.241 204 Q HN 0.037 nan 8.270 nan 0.000 0.485 205 N N 2.346 121.031 118.700 -0.026 0.000 2.558 205 N HA 0.125 4.799 4.740 -0.110 0.000 0.233 205 N C -0.495 175.006 175.510 -0.014 0.000 1.038 205 N CA 0.083 53.129 53.050 -0.007 0.000 0.934 205 N CB 0.305 38.806 38.487 0.022 0.000 1.175 205 N HN 0.549 nan 8.380 nan 0.000 0.512 206 L N 1.663 122.870 121.223 -0.026 0.000 2.700 206 L HA 0.163 4.437 4.340 -0.110 0.000 0.234 206 L C 1.431 178.295 176.870 -0.010 0.000 1.156 206 L CA -0.022 54.800 54.840 -0.030 0.000 0.946 206 L CB 0.145 42.175 42.059 -0.049 0.000 1.216 206 L HN 0.338 nan 8.230 nan 0.000 0.493 207 S N -0.492 115.209 115.700 0.002 0.000 2.461 207 S HA 0.001 4.405 4.470 -0.110 0.000 0.228 207 S C 0.896 175.505 174.600 0.015 0.000 1.005 207 S CA 0.495 58.701 58.200 0.010 0.000 0.942 207 S CB 0.035 63.246 63.200 0.018 0.000 0.776 207 S HN 0.560 nan 8.310 nan 0.000 0.514 208 S N 0.708 116.419 115.700 0.019 0.000 2.569 208 S HA 0.516 4.920 4.470 -0.110 0.000 0.280 208 S C -3.143 171.474 174.600 0.029 0.000 1.111 208 S CA -1.411 56.804 58.200 0.025 0.000 0.887 208 S CB 1.886 65.106 63.200 0.033 0.000 1.095 208 S HN -0.035 nan 8.310 nan 0.000 0.476 209 P HA 0.333 nan 4.420 nan 0.000 0.236 209 P C 0.047 177.382 177.300 0.058 0.000 1.709 209 P CA -0.205 62.919 63.100 0.039 0.000 0.942 209 P CB -0.465 31.258 31.700 0.039 0.000 1.615 210 L N -1.768 119.493 121.223 0.063 0.000 2.664 210 L HA 0.376 4.650 4.340 -0.110 0.000 0.233 210 L C 1.485 178.418 176.870 0.105 0.000 1.113 210 L CA 0.469 55.356 54.840 0.078 0.000 0.896 210 L CB -0.467 41.632 42.059 0.065 0.000 1.163 210 L HN 0.129 nan 8.230 nan 0.000 0.497 211 G N 1.185 110.056 108.800 0.119 0.000 2.176 211 G HA2 -0.260 3.634 3.960 -0.110 0.000 0.252 211 G HA3 -0.260 3.634 3.960 -0.110 0.000 0.252 211 G C 0.095 175.193 174.900 0.330 0.000 1.024 211 G CA -0.005 45.217 45.100 0.203 0.000 0.755 211 G HN 0.213 nan 8.290 nan 0.000 0.507 212 L N -0.003 121.354 121.223 0.223 0.000 2.421 212 L HA 0.594 4.868 4.340 -0.110 0.000 0.263 212 L C 1.199 178.163 176.870 0.157 0.000 1.122 212 L CA -1.022 53.959 54.840 0.236 0.000 0.804 212 L CB 0.762 42.902 42.059 0.136 0.000 1.150 212 L HN 0.058 nan 8.230 nan 0.000 0.457 213 M N 1.352 120.999 119.600 0.079 0.000 2.274 213 M HA 0.303 4.717 4.480 -0.110 0.000 0.344 213 M C 0.226 176.508 176.300 -0.029 0.000 1.161 213 M CA -0.498 54.778 55.300 -0.040 0.000 1.126 213 M CB 1.241 33.737 32.600 -0.173 0.000 1.522 213 M HN 0.665 nan 8.290 nan 0.000 0.461 214 A N 2.750 125.543 122.820 -0.046 0.000 2.540 214 A HA 0.401 4.655 4.320 -0.110 0.000 0.239 214 A C 0.046 177.575 177.584 -0.091 0.000 1.061 214 A CA -0.402 51.605 52.037 -0.050 0.000 0.758 214 A CB -0.216 18.756 19.000 -0.048 0.000 0.991 214 A HN 0.787 nan 8.150 nan 0.000 0.502 215 V N 1.685 121.536 119.914 -0.104 0.000 2.769 215 V HA 0.483 4.537 4.120 -0.110 0.000 0.312 215 V C 0.314 176.257 176.094 -0.252 0.000 1.061 215 V CA -1.423 60.753 62.300 -0.207 0.000 0.931 215 V CB 1.647 33.319 31.823 -0.252 0.000 1.010 215 V HN 0.891 nan 8.190 nan 0.000 0.433 216 N N 2.662 121.144 118.700 -0.364 0.000 2.356 216 N HA -0.005 4.669 4.740 -0.110 0.000 0.252 216 N C 0.513 175.792 175.510 -0.386 0.000 1.241 216 N CA 0.358 53.165 53.050 -0.405 0.000 0.861 216 N CB 1.143 39.312 38.487 -0.530 0.000 1.075 216 N HN 0.819 nan 8.380 nan 0.000 0.461 217 Q N 2.283 121.992 119.800 -0.152 0.000 2.392 217 Q HA 0.029 4.303 4.340 -0.110 0.000 0.219 217 Q C 0.837 176.911 176.000 0.124 0.000 0.895 217 Q CA 0.549 56.379 55.803 0.045 0.000 0.929 217 Q CB 0.199 28.996 28.738 0.098 0.000 1.077 217 Q HN 0.587 nan 8.270 nan 0.000 0.532 218 E N 0.966 121.209 120.200 0.070 0.000 2.285 218 E HA 0.109 4.393 4.350 -0.110 0.000 0.194 218 E C -0.143 176.577 176.600 0.200 0.000 0.997 218 E CA 0.485 56.990 56.400 0.175 0.000 0.845 218 E CB 0.437 30.309 29.700 0.286 0.000 0.782 218 E HN 0.247 nan 8.360 nan 0.000 0.491 219 A N -0.775 122.098 122.820 0.089 0.000 2.549 219 A HA 0.624 4.878 4.320 -0.110 0.000 0.297 219 A C -1.782 175.821 177.584 0.031 0.000 1.061 219 A CA -0.771 51.385 52.037 0.198 0.000 0.690 219 A CB 0.735 19.883 19.000 0.246 0.000 1.287 219 A HN 0.125 nan 8.150 nan 0.000 0.402 220 W N 0.065 121.471 121.300 0.177 0.000 2.882 220 W HA 0.597 5.189 4.660 -0.113 0.000 0.345 220 W C -0.800 175.568 176.519 -0.253 0.000 1.125 220 W CA 0.024 57.313 57.345 -0.093 0.000 1.167 220 W CB 1.867 31.284 29.460 -0.072 0.000 1.431 220 W HN 0.633 nan 8.180 nan 0.000 0.543 221 D N 0.353 120.552 120.400 -0.335 0.000 2.432 221 D HA 0.207 4.781 4.640 -0.110 0.000 0.265 221 D C -0.484 175.779 176.300 -0.061 0.000 1.160 221 D CA -0.441 53.339 54.000 -0.367 0.000 0.911 221 D CB -0.494 39.889 40.800 -0.695 0.000 1.052 221 D HN 0.565 nan 8.370 nan 0.000 0.508 222 H N 1.853 120.987 119.070 0.107 0.000 2.626 222 H HA -0.181 4.308 4.556 -0.111 0.000 0.317 222 H C 1.400 176.817 175.328 0.149 0.000 1.140 222 H CA 0.956 57.082 56.048 0.130 0.000 1.134 222 H CB -1.229 28.637 29.762 0.173 0.000 1.486 222 H HN 0.681 nan 8.280 nan 0.000 0.417 223 G N -1.165 107.747 108.800 0.186 0.000 2.168 223 G HA2 -0.332 3.562 3.960 -0.110 0.000 0.263 223 G HA3 -0.332 3.562 3.960 -0.110 0.000 0.263 223 G C 0.222 175.250 174.900 0.214 0.000 0.977 223 G CA 0.427 45.583 45.100 0.094 0.000 0.659 223 G HN 0.522 nan 8.290 nan 0.000 0.533 224 L N 0.226 121.579 121.223 0.217 0.000 2.344 224 L HA 0.798 5.072 4.340 -0.110 0.000 0.272 224 L C 0.990 177.843 176.870 -0.028 0.000 1.035 224 L CA -0.658 54.231 54.840 0.082 0.000 0.807 224 L CB 1.681 43.684 42.059 -0.093 0.000 1.237 224 L HN 0.251 nan 8.230 nan 0.000 0.442 225 A N 1.634 124.359 122.820 -0.158 0.000 2.332 225 A HA 0.513 4.767 4.320 -0.110 0.000 0.258 225 A C -1.058 176.174 177.584 -0.587 0.000 1.087 225 A CA 0.062 51.814 52.037 -0.474 0.000 0.802 225 A CB 0.242 19.058 19.000 -0.306 0.000 1.042 225 A HN 0.596 nan 8.150 nan 0.000 0.489 226 Y N -0.558 119.423 120.300 -0.531 0.000 2.621 226 Y HA 0.500 4.985 4.550 -0.110 0.000 0.334 226 Y C 0.238 175.830 175.900 -0.513 0.000 1.074 226 Y CA -1.010 56.791 58.100 -0.499 0.000 1.149 226 Y CB 1.428 39.611 38.460 -0.462 0.000 1.302 226 Y HN 0.510 nan 8.280 nan 0.000 0.501 227 L N 3.200 124.176 121.223 -0.411 0.000 2.439 227 L HA 0.225 4.499 4.340 -0.110 0.000 0.269 227 L C -2.294 174.447 176.870 -0.215 0.000 1.179 227 L CA -1.767 52.865 54.840 -0.345 0.000 0.828 227 L CB 0.061 41.856 42.059 -0.440 0.000 1.106 227 L HN 0.265 nan 8.230 nan 0.000 0.467 228 P HA -0.006 nan 4.420 nan 0.000 0.269 228 P C -0.668 176.626 177.300 -0.009 0.000 1.217 228 P CA -0.039 62.974 63.100 -0.144 0.000 0.783 228 P CB 0.322 31.981 31.700 -0.068 0.000 0.898 229 F N 0.602 120.604 119.950 0.087 0.000 2.403 229 F HA 0.215 4.677 4.527 -0.108 0.000 0.320 229 F C 1.416 177.235 175.800 0.031 0.000 1.176 229 F CA -0.035 57.992 58.000 0.045 0.000 1.206 229 F CB -0.151 38.844 39.000 -0.007 0.000 1.235 229 F HN 0.216 nan 8.300 nan 0.000 0.565 230 N N 1.605 120.452 118.700 0.245 0.000 2.455 230 N HA 0.055 4.729 4.740 -0.110 0.000 0.280 230 N C 0.897 176.467 175.510 0.100 0.000 1.055 230 N CA -0.040 53.096 53.050 0.144 0.000 0.961 230 N CB 0.521 39.084 38.487 0.126 0.000 1.121 230 N HN 0.464 nan 8.380 nan 0.000 0.476 231 N N 2.376 121.127 118.700 0.085 0.000 2.069 231 N HA -0.226 4.448 4.740 -0.110 0.000 0.196 231 N C -0.190 175.339 175.510 0.031 0.000 1.024 231 N CA 0.997 54.079 53.050 0.054 0.000 0.869 231 N CB -0.223 38.294 38.487 0.050 0.000 1.035 231 N HN 0.684 nan 8.380 nan 0.000 0.434 232 R N 1.423 121.944 120.500 0.036 0.000 2.486 232 R HA 0.006 4.280 4.340 -0.110 0.000 0.304 232 R C -0.607 175.686 176.300 -0.012 0.000 0.913 232 R CA 0.747 56.853 56.100 0.009 0.000 1.124 232 R CB 0.003 30.312 30.300 0.014 0.000 0.891 232 R HN 0.003 nan 8.270 nan 0.000 0.410 233 K N 4.080 124.466 120.400 -0.024 0.000 2.378 233 K HA 0.392 4.646 4.320 -0.110 0.000 0.252 233 K C -2.036 174.536 176.600 -0.047 0.000 0.931 233 K CA -2.058 54.210 56.287 -0.033 0.000 0.794 233 K CB 1.863 34.347 32.500 -0.027 0.000 1.181 233 K HN 0.650 nan 8.250 nan 0.000 0.425 234 P HA 0.046 nan 4.420 nan 0.000 0.270 234 P C -0.865 176.404 177.300 -0.053 0.000 1.223 234 P CA -0.371 62.698 63.100 -0.052 0.000 0.785 234 P CB 1.053 32.707 31.700 -0.077 0.000 0.923 235 S N 1.081 116.765 115.700 -0.026 0.000 2.552 235 S HA 0.460 4.864 4.470 -0.110 0.000 0.314 235 S C -1.941 172.673 174.600 0.024 0.000 1.099 235 S CA -1.537 56.653 58.200 -0.017 0.000 1.070 235 S CB 1.275 64.460 63.200 -0.025 0.000 0.998 235 S HN 0.153 nan 8.310 nan 0.000 0.474 236 P HA 0.084 nan 4.420 nan 0.000 0.219 236 P C 1.107 178.499 177.300 0.154 0.000 1.150 236 P CA 0.672 63.809 63.100 0.063 0.000 0.814 236 P CB -0.053 31.541 31.700 -0.177 0.000 0.787 237 c N -0.585 118.087 118.600 0.120 0.000 2.432 237 c HA -0.028 4.476 4.570 -0.110 0.000 0.282 237 c C 2.578 176.709 174.090 0.068 0.000 1.388 237 c CA 0.595 56.995 56.329 0.119 0.000 1.777 237 c CB -1.576 40.968 42.510 0.056 0.000 1.882 237 c HN 0.341 nan 8.230 nan 0.000 0.520 238 E N -0.059 120.169 120.200 0.047 0.000 2.060 238 E HA -0.107 4.177 4.350 -0.110 0.000 0.189 238 E C 1.712 178.345 176.600 0.055 0.000 0.974 238 E CA 0.667 57.072 56.400 0.008 0.000 0.808 238 E CB -0.184 29.510 29.700 -0.011 0.000 0.768 238 E HN 0.661 nan 8.360 nan 0.000 0.453 239 F N 0.890 120.830 119.950 -0.016 0.000 2.408 239 F HA -0.154 4.307 4.527 -0.111 0.000 0.300 239 F C 1.711 177.518 175.800 0.011 0.000 1.090 239 F CA 0.596 58.604 58.000 0.014 0.000 1.427 239 F CB 0.186 39.227 39.000 0.069 0.000 1.070 239 F HN 0.075 nan 8.300 nan 0.000 0.549 240 I N 0.229 120.774 120.570 -0.042 0.000 2.716 240 I HA -0.068 4.036 4.170 -0.110 0.000 0.259 240 I C 0.245 176.293 176.117 -0.114 0.000 1.172 240 I CA 1.024 62.267 61.300 -0.094 0.000 1.478 240 I CB -0.775 37.244 38.000 0.032 0.000 1.104 240 I HN 0.216 nan 8.210 nan 0.000 0.439 241 N N 0.035 118.646 118.700 -0.148 0.000 2.701 241 N HA 0.025 4.699 4.740 -0.110 0.000 0.258 241 N C 0.693 176.047 175.510 -0.261 0.000 1.262 241 N CA 0.245 53.129 53.050 -0.276 0.000 0.780 241 N CB 0.881 39.038 38.487 -0.550 0.000 1.380 241 N HN 0.000 nan 8.380 nan 0.000 0.548 242 T N -1.237 113.181 114.554 -0.227 0.000 2.929 242 T HA -0.087 4.197 4.350 -0.110 0.000 0.271 242 T C 1.532 176.131 174.700 -0.168 0.000 1.085 242 T CA 1.431 63.431 62.100 -0.166 0.000 1.125 242 T CB -0.091 68.698 68.868 -0.133 0.000 0.874 242 T HN 0.304 nan 8.240 nan 0.000 0.494 243 T N 1.979 116.405 114.554 -0.214 0.000 2.812 243 T HA 0.170 4.454 4.350 -0.110 0.000 0.264 243 T C 2.486 177.052 174.700 -0.223 0.000 1.042 243 T CA 1.055 63.032 62.100 -0.205 0.000 1.140 243 T CB -0.549 68.184 68.868 -0.224 0.000 0.870 243 T HN 0.573 nan 8.240 nan 0.000 0.445 244 A N 0.818 123.449 122.820 -0.315 0.000 1.930 244 A HA 0.162 4.416 4.320 -0.110 0.000 0.215 244 A C 1.097 178.569 177.584 -0.188 0.000 1.176 244 A CA 0.405 52.268 52.037 -0.291 0.000 0.632 244 A CB -0.317 18.392 19.000 -0.483 0.000 0.819 244 A HN 0.471 nan 8.150 nan 0.000 0.445 245 R N -1.310 119.083 120.500 -0.179 0.000 3.127 245 R HA -0.127 4.147 4.340 -0.110 0.000 0.247 245 R C -1.245 174.936 176.300 -0.198 0.000 0.896 245 R CA 0.515 56.523 56.100 -0.152 0.000 0.624 245 R CB -1.851 28.370 30.300 -0.132 0.000 1.154 245 R HN 0.235 nan 8.270 nan 0.000 0.474 246 V N 2.258 122.058 119.914 -0.189 0.000 2.334 246 V HA 0.332 4.386 4.120 -0.110 0.000 0.281 246 V C -1.343 174.541 176.094 -0.351 0.000 1.016 246 V CA -1.756 60.349 62.300 -0.326 0.000 0.832 246 V CB 1.599 33.324 31.823 -0.164 0.000 0.999 246 V HN 0.199 nan 8.190 nan 0.000 0.439 247 P HA 0.135 nan 4.420 nan 0.000 0.271 247 P C 0.023 177.154 177.300 -0.282 0.000 1.244 247 P CA -0.323 62.574 63.100 -0.338 0.000 0.793 247 P CB 0.615 32.112 31.700 -0.339 0.000 0.984 248 c N 0.210 118.737 118.600 -0.122 0.000 2.705 248 c HA 0.257 4.761 4.570 -0.110 0.000 0.365 248 c C 0.974 175.020 174.090 -0.074 0.000 1.353 248 c CA -0.069 56.198 56.329 -0.103 0.000 2.339 248 c CB -1.260 41.299 42.510 0.083 0.000 2.576 248 c HN 0.378 nan 8.230 nan 0.000 0.716 249 F N 0.617 120.637 119.950 0.117 0.000 2.370 249 F HA 0.510 4.973 4.527 -0.106 0.000 0.324 249 F C 0.261 176.056 175.800 -0.008 0.000 1.116 249 F CA -0.731 57.301 58.000 0.053 0.000 1.123 249 F CB 0.417 39.393 39.000 -0.040 0.000 1.238 249 F HN 0.240 nan 8.300 nan 0.000 0.536 250 L N 2.498 123.829 121.223 0.179 0.000 2.276 250 L HA 0.741 5.015 4.340 -0.110 0.000 0.286 250 L C -0.407 176.410 176.870 -0.088 0.000 1.024 250 L CA 0.004 54.860 54.840 0.027 0.000 0.826 250 L CB 0.023 42.103 42.059 0.034 0.000 1.211 250 L HN 0.688 nan 8.230 nan 0.000 0.422 251 A N 3.067 125.767 122.820 -0.200 0.000 2.437 251 A HA 0.687 4.941 4.320 -0.110 0.000 0.288 251 A C 0.987 178.391 177.584 -0.301 0.000 1.201 251 A CA -0.111 51.762 52.037 -0.272 0.000 0.795 251 A CB 0.708 19.420 19.000 -0.480 0.000 1.359 251 A HN 0.757 nan 8.150 nan 0.000 0.435 252 G N -0.881 107.787 108.800 -0.220 0.000 2.470 252 G HA2 0.028 3.922 3.960 -0.110 0.000 0.220 252 G HA3 0.028 3.922 3.960 -0.110 0.000 0.220 252 G C 0.321 175.085 174.900 -0.228 0.000 1.121 252 G CA 1.233 46.224 45.100 -0.181 0.000 0.766 252 G HN 0.727 nan 8.290 nan 0.000 0.553 253 D N -1.673 118.586 120.400 -0.235 0.000 2.481 253 D HA 0.287 4.861 4.640 -0.110 0.000 0.244 253 D C 0.066 176.173 176.300 -0.322 0.000 1.057 253 D CA -0.833 53.028 54.000 -0.231 0.000 0.848 253 D CB 1.549 42.311 40.800 -0.063 0.000 1.388 253 D HN 0.016 nan 8.370 nan 0.000 0.475 254 F N 1.524 121.388 119.950 -0.144 0.000 2.502 254 F HA 0.066 4.528 4.527 -0.107 0.000 0.298 254 F C 2.297 178.004 175.800 -0.155 0.000 1.111 254 F CA 0.388 58.321 58.000 -0.112 0.000 1.445 254 F CB 0.276 39.269 39.000 -0.011 0.000 1.081 254 F HN 0.187 nan 8.300 nan 0.000 0.558 255 R N -0.092 120.317 120.500 -0.153 0.000 2.313 255 R HA 0.126 4.400 4.340 -0.110 0.000 0.199 255 R C 2.268 178.539 176.300 -0.048 0.000 0.958 255 R CA 0.514 56.520 56.100 -0.156 0.000 1.047 255 R CB -0.342 29.690 30.300 -0.448 0.000 0.955 255 R HN 0.179 nan 8.270 nan 0.000 0.481 256 A N 0.811 123.576 122.820 -0.090 0.000 2.009 256 A HA -0.214 4.040 4.320 -0.110 0.000 0.222 256 A C 1.833 179.404 177.584 -0.020 0.000 1.175 256 A CA 1.971 53.907 52.037 -0.167 0.000 0.651 256 A CB -0.270 18.354 19.000 -0.626 0.000 0.815 256 A HN 0.233 nan 8.150 nan 0.000 0.459 257 S N -0.839 114.856 115.700 -0.008 0.000 2.577 257 S HA 0.052 4.456 4.470 -0.110 0.000 0.219 257 S C 1.490 175.879 174.600 -0.351 0.000 0.962 257 S CA 0.237 58.428 58.200 -0.014 0.000 0.921 257 S CB 0.125 63.394 63.200 0.115 0.000 0.789 257 S HN 0.649 nan 8.310 nan 0.000 0.497 258 E N 1.992 121.897 120.200 -0.491 0.000 2.114 258 E HA -0.219 4.065 4.350 -0.110 0.000 0.199 258 E C 0.386 176.696 176.600 -0.483 0.000 1.008 258 E CA 1.436 57.312 56.400 -0.873 0.000 0.810 258 E CB 0.144 29.587 29.700 -0.429 0.000 0.739 258 E HN 0.737 nan 8.360 nan 0.000 0.456 259 Q N -1.713 117.985 119.800 -0.171 0.000 2.418 259 Q HA 0.324 4.598 4.340 -0.110 0.000 0.282 259 Q C 0.657 176.644 176.000 -0.022 0.000 1.044 259 Q CA -0.388 55.405 55.803 -0.016 0.000 0.813 259 Q CB 0.625 29.430 28.738 0.112 0.000 1.428 259 Q HN 0.002 nan 8.270 nan 0.000 0.402 260 I N 0.458 121.008 120.570 -0.033 0.000 2.264 260 I HA -0.208 3.896 4.170 -0.110 0.000 0.248 260 I C 0.728 176.843 176.117 -0.004 0.000 1.111 260 I CA 1.271 62.553 61.300 -0.030 0.000 1.382 260 I CB 0.176 38.119 38.000 -0.095 0.000 1.060 260 I HN 0.780 nan 8.210 nan 0.000 0.418 261 L N -0.062 121.156 121.223 -0.008 0.000 2.465 261 L HA -0.093 4.181 4.340 -0.110 0.000 0.224 261 L C 1.804 178.684 176.870 0.017 0.000 1.145 261 L CA 1.219 56.062 54.840 0.005 0.000 0.834 261 L CB -0.640 41.424 42.059 0.008 0.000 0.944 261 L HN 0.315 nan 8.230 nan 0.000 0.451 262 L N -0.939 120.294 121.223 0.018 0.000 2.202 262 L HA 0.188 4.462 4.340 -0.110 0.000 0.205 262 L C 2.427 179.366 176.870 0.114 0.000 1.083 262 L CA 1.616 56.474 54.840 0.030 0.000 0.790 262 L CB -0.781 41.284 42.059 0.010 0.000 0.942 262 L HN 0.089 nan 8.230 nan 0.000 0.452 263 A N -0.933 121.953 122.820 0.109 0.000 1.933 263 A HA -0.185 4.069 4.320 -0.110 0.000 0.218 263 A C 2.199 179.807 177.584 0.040 0.000 1.175 263 A CA 2.274 54.386 52.037 0.125 0.000 0.628 263 A CB -1.244 17.894 19.000 0.229 0.000 0.814 263 A HN 0.510 nan 8.150 nan 0.000 0.444 264 T N 0.425 114.999 114.554 0.033 0.000 2.652 264 T HA -0.099 4.185 4.350 -0.110 0.000 0.267 264 T C 2.259 176.974 174.700 0.026 0.000 1.039 264 T CA 1.892 63.998 62.100 0.011 0.000 1.153 264 T CB -0.562 68.316 68.868 0.017 0.000 0.863 264 T HN 0.629 nan 8.240 nan 0.000 0.428 265 A N 1.491 124.343 122.820 0.054 0.000 1.883 265 A HA -0.222 4.032 4.320 -0.110 0.000 0.217 265 A C 2.131 179.711 177.584 -0.007 0.000 1.186 265 A CA 1.633 53.712 52.037 0.071 0.000 0.624 265 A CB -0.995 18.040 19.000 0.058 0.000 0.822 265 A HN 0.572 nan 8.150 nan 0.000 0.444 266 H N -0.815 118.227 119.070 -0.047 0.000 2.319 266 H HA -0.144 4.348 4.556 -0.108 0.000 0.297 266 H C 2.536 177.775 175.328 -0.148 0.000 1.097 266 H CA 2.211 58.199 56.048 -0.101 0.000 1.285 266 H CB -0.483 29.208 29.762 -0.118 0.000 1.368 266 H HN 0.601 nan 8.280 nan 0.000 0.495 267 T N 0.131 114.652 114.554 -0.055 0.000 2.904 267 T HA -0.078 4.206 4.350 -0.110 0.000 0.267 267 T C 2.122 176.746 174.700 -0.126 0.000 1.059 267 T CA 0.452 62.465 62.100 -0.146 0.000 1.137 267 T CB -0.179 68.560 68.868 -0.215 0.000 0.879 267 T HN -0.019 nan 8.240 nan 0.000 0.467 268 L N 0.915 122.083 121.223 -0.092 0.000 2.042 268 L HA 0.101 4.375 4.340 -0.110 0.000 0.210 268 L C 2.517 179.299 176.870 -0.146 0.000 1.076 268 L CA 1.504 56.271 54.840 -0.121 0.000 0.749 268 L CB -0.975 41.029 42.059 -0.092 0.000 0.893 268 L HN 0.362 nan 8.230 nan 0.000 0.432 269 L N -1.849 119.310 121.223 -0.107 0.000 2.056 269 L HA -0.209 4.065 4.340 -0.110 0.000 0.207 269 L C 2.475 179.267 176.870 -0.131 0.000 1.078 269 L CA 0.686 55.456 54.840 -0.116 0.000 0.749 269 L CB -0.536 41.472 42.059 -0.085 0.000 0.901 269 L HN 0.232 nan 8.230 nan 0.000 0.433 270 L N 0.008 121.149 121.223 -0.137 0.000 2.012 270 L HA -0.229 4.045 4.340 -0.110 0.000 0.210 270 L C 2.822 179.638 176.870 -0.090 0.000 1.073 270 L CA 1.701 56.457 54.840 -0.140 0.000 0.748 270 L CB -0.351 41.610 42.059 -0.163 0.000 0.891 270 L HN 0.079 nan 8.230 nan 0.000 0.431 271 R N -0.767 119.660 120.500 -0.121 0.000 2.117 271 R HA -0.240 4.034 4.340 -0.110 0.000 0.243 271 R C 2.225 178.457 176.300 -0.113 0.000 1.143 271 R CA 1.586 57.615 56.100 -0.118 0.000 0.968 271 R CB -0.355 29.854 30.300 -0.153 0.000 0.863 271 R HN 0.395 nan 8.270 nan 0.000 0.444 272 E N -0.017 120.095 120.200 -0.146 0.000 2.072 272 E HA -0.208 4.075 4.350 -0.110 0.000 0.191 272 E C 1.695 178.224 176.600 -0.118 0.000 0.985 272 E CA 1.663 57.951 56.400 -0.187 0.000 0.801 272 E CB -0.175 29.349 29.700 -0.294 0.000 0.750 272 E HN 0.458 nan 8.360 nan 0.000 0.452 273 H N -0.168 118.826 119.070 -0.128 0.000 2.290 273 H HA -0.083 4.410 4.556 -0.104 0.000 0.298 273 H C 1.725 177.023 175.328 -0.049 0.000 1.087 273 H CA 2.317 58.330 56.048 -0.059 0.000 1.291 273 H CB -0.134 29.627 29.762 -0.000 0.000 1.369 273 H HN 0.124 nan 8.280 nan 0.000 0.492 274 N N 0.304 119.091 118.700 0.145 0.000 2.104 274 N HA -0.158 4.516 4.740 -0.110 0.000 0.190 274 N C 2.035 177.525 175.510 -0.033 0.000 1.024 274 N CA 1.214 54.320 53.050 0.093 0.000 0.853 274 N CB -0.426 38.112 38.487 0.084 0.000 1.008 274 N HN 0.386 nan 8.380 nan 0.000 0.424 275 R N 0.173 120.629 120.500 -0.073 0.000 2.091 275 R HA -0.088 4.186 4.340 -0.110 0.000 0.238 275 R C 1.582 177.797 176.300 -0.141 0.000 1.136 275 R CA 1.013 57.049 56.100 -0.106 0.000 0.959 275 R CB -0.202 30.017 30.300 -0.135 0.000 0.856 275 R HN 0.086 nan 8.270 nan 0.000 0.437 276 L N 0.424 121.530 121.223 -0.195 0.000 2.056 276 L HA -0.066 4.208 4.340 -0.110 0.000 0.207 276 L C 2.502 179.248 176.870 -0.207 0.000 1.078 276 L CA 2.009 56.705 54.840 -0.240 0.000 0.749 276 L CB -1.384 40.492 42.059 -0.305 0.000 0.901 276 L HN 0.273 nan 8.230 nan 0.000 0.433 277 A N -0.786 121.901 122.820 -0.222 0.000 1.902 277 A HA -0.216 4.038 4.320 -0.110 0.000 0.217 277 A C 2.484 180.042 177.584 -0.044 0.000 1.181 277 A CA 1.459 53.419 52.037 -0.128 0.000 0.623 277 A CB -0.413 18.522 19.000 -0.108 0.000 0.818 277 A HN 0.325 nan 8.150 nan 0.000 0.443 278 R N -0.655 119.817 120.500 -0.046 0.000 2.070 278 R HA -0.121 4.153 4.340 -0.110 0.000 0.232 278 R C 2.162 178.436 176.300 -0.043 0.000 1.138 278 R CA 1.442 57.525 56.100 -0.028 0.000 0.936 278 R CB -0.352 29.930 30.300 -0.029 0.000 0.839 278 R HN 0.448 nan 8.270 nan 0.000 0.429 279 E N 0.641 120.798 120.200 -0.071 0.000 2.130 279 E HA -0.213 4.070 4.350 -0.110 0.000 0.196 279 E C 1.931 178.483 176.600 -0.078 0.000 0.998 279 E CA 1.053 57.403 56.400 -0.083 0.000 0.806 279 E CB -0.160 29.470 29.700 -0.116 0.000 0.738 279 E HN 0.136 nan 8.360 nan 0.000 0.459 280 L N 0.899 122.083 121.223 -0.065 0.000 2.072 280 L HA -0.106 4.168 4.340 -0.110 0.000 0.205 280 L C 2.265 179.120 176.870 -0.024 0.000 1.079 280 L CA 1.489 56.313 54.840 -0.026 0.000 0.752 280 L CB -0.555 41.545 42.059 0.069 0.000 0.906 280 L HN -0.037 nan 8.230 nan 0.000 0.436 281 K N -0.179 120.231 120.400 0.016 0.000 2.147 281 K HA -0.181 4.073 4.320 -0.110 0.000 0.205 281 K C 2.055 178.631 176.600 -0.040 0.000 1.049 281 K CA 1.527 57.825 56.287 0.018 0.000 0.936 281 K CB -0.087 32.438 32.500 0.041 0.000 0.722 281 K HN 0.144 nan 8.250 nan 0.000 0.446 282 K N -0.156 120.214 120.400 -0.050 0.000 2.026 282 K HA -0.122 4.132 4.320 -0.110 0.000 0.208 282 K C 2.034 178.581 176.600 -0.087 0.000 1.048 282 K CA 1.703 57.955 56.287 -0.059 0.000 0.929 282 K CB -0.196 32.272 32.500 -0.052 0.000 0.713 282 K HN 0.091 nan 8.250 nan 0.000 0.439 283 L N 0.925 122.078 121.223 -0.117 0.000 2.109 283 L HA -0.120 4.154 4.340 -0.110 0.000 0.207 283 L C 0.439 177.163 176.870 -0.244 0.000 1.086 283 L CA 1.131 55.880 54.840 -0.151 0.000 0.760 283 L CB 0.004 41.981 42.059 -0.135 0.000 0.910 283 L HN 0.123 nan 8.230 nan 0.000 0.437 284 N N -0.885 117.606 118.700 -0.349 0.000 2.844 284 N HA 0.197 4.871 4.740 -0.110 0.000 0.268 284 N C -2.092 173.250 175.510 -0.280 0.000 1.574 284 N CA -0.971 51.758 53.050 -0.534 0.000 0.838 284 N CB 1.001 38.655 38.487 -1.389 0.000 1.177 284 N HN -0.034 nan 8.380 nan 0.000 0.495 285 P HA -0.133 nan 4.420 nan 0.000 0.223 285 P C 0.925 178.237 177.300 0.020 0.000 1.144 285 P CA 1.347 64.424 63.100 -0.039 0.000 0.783 285 P CB 0.447 32.126 31.700 -0.035 0.000 0.771 286 Q N -2.917 116.894 119.800 0.018 0.000 2.389 286 Q HA -0.042 4.232 4.340 -0.110 0.000 0.204 286 Q C 0.453 176.602 176.000 0.249 0.000 0.944 286 Q CA 0.351 56.218 55.803 0.108 0.000 0.908 286 Q CB -0.754 28.044 28.738 0.101 0.000 1.002 286 Q HN 0.217 nan 8.270 nan 0.000 0.493 287 W N 2.796 124.117 121.300 0.035 0.000 2.170 287 W HA 0.064 4.650 4.660 -0.124 0.000 0.342 287 W C 0.568 177.109 176.519 0.036 0.000 1.294 287 W CA -0.918 56.452 57.345 0.042 0.000 1.246 287 W CB 0.135 29.624 29.460 0.048 0.000 1.156 287 W HN 0.089 nan 8.180 nan 0.000 0.572 288 D N 0.762 121.269 120.400 0.177 0.000 2.362 288 D HA 0.011 4.585 4.640 -0.110 0.000 0.238 288 D C 1.325 177.670 176.300 0.075 0.000 1.212 288 D CA 0.762 54.810 54.000 0.079 0.000 0.902 288 D CB 0.960 41.761 40.800 0.002 0.000 1.180 288 D HN 0.547 nan 8.370 nan 0.000 0.445 289 G N 1.107 109.939 108.800 0.052 0.000 2.491 289 G HA2 -0.324 3.570 3.960 -0.110 0.000 0.218 289 G HA3 -0.324 3.570 3.960 -0.110 0.000 0.218 289 G C 1.393 176.315 174.900 0.035 0.000 1.180 289 G CA 1.119 46.246 45.100 0.045 0.000 0.774 289 G HN 0.506 nan 8.290 nan 0.000 0.562 290 E N 0.513 120.709 120.200 -0.007 0.000 2.051 290 E HA -0.122 4.162 4.350 -0.110 0.000 0.192 290 E C 2.343 178.906 176.600 -0.061 0.000 0.991 290 E CA 1.603 57.988 56.400 -0.025 0.000 0.799 290 E CB -0.238 29.435 29.700 -0.045 0.000 0.748 290 E HN 0.370 nan 8.360 nan 0.000 0.449 291 K N -0.327 119.998 120.400 -0.126 0.000 2.097 291 K HA -0.092 4.162 4.320 -0.110 0.000 0.206 291 K C 1.905 178.333 176.600 -0.287 0.000 1.049 291 K CA 1.045 57.145 56.287 -0.311 0.000 0.933 291 K CB -0.317 31.895 32.500 -0.480 0.000 0.717 291 K HN 0.135 nan 8.250 nan 0.000 0.442 292 L N 0.353 121.544 121.223 -0.054 0.000 2.046 292 L HA -0.183 4.091 4.340 -0.110 0.000 0.208 292 L C 2.255 179.120 176.870 -0.008 0.000 1.077 292 L CA 1.809 56.680 54.840 0.052 0.000 0.747 292 L CB -1.387 40.752 42.059 0.132 0.000 0.896 292 L HN 0.309 nan 8.230 nan 0.000 0.432 293 Y N 0.878 121.121 120.300 -0.095 0.000 2.089 293 Y HA -0.272 4.217 4.550 -0.101 0.000 0.282 293 Y C 2.775 178.560 175.900 -0.192 0.000 1.139 293 Y CA 1.752 59.829 58.100 -0.038 0.000 1.123 293 Y CB -0.168 38.269 38.460 -0.038 0.000 0.980 293 Y HN 0.210 nan 8.280 nan 0.000 0.493 294 Q N 0.354 119.923 119.800 -0.385 0.000 2.096 294 Q HA -0.192 4.082 4.340 -0.110 0.000 0.204 294 Q C 2.073 177.657 176.000 -0.693 0.000 0.982 294 Q CA 1.738 57.058 55.803 -0.805 0.000 0.850 294 Q CB -0.369 27.517 28.738 -1.419 0.000 0.901 294 Q HN 0.627 nan 8.270 nan 0.000 0.422 295 E N 0.542 120.454 120.200 -0.480 0.000 2.072 295 E HA -0.095 4.189 4.350 -0.110 0.000 0.191 295 E C 1.933 178.463 176.600 -0.117 0.000 0.985 295 E CA 1.023 57.326 56.400 -0.162 0.000 0.801 295 E CB -0.123 29.550 29.700 -0.045 0.000 0.750 295 E HN 0.312 nan 8.360 nan 0.000 0.452 296 A N 1.644 124.321 122.820 -0.237 0.000 1.877 296 A HA -0.206 4.048 4.320 -0.110 0.000 0.216 296 A C 2.229 179.681 177.584 -0.221 0.000 1.186 296 A CA 1.762 53.612 52.037 -0.310 0.000 0.620 296 A CB -0.556 18.071 19.000 -0.621 0.000 0.822 296 A HN 0.165 nan 8.150 nan 0.000 0.443 297 R N -0.003 120.295 120.500 -0.337 0.000 2.103 297 R HA -0.213 4.061 4.340 -0.110 0.000 0.242 297 R C 2.236 178.404 176.300 -0.220 0.000 1.142 297 R CA 2.180 57.993 56.100 -0.477 0.000 0.960 297 R CB -0.282 29.325 30.300 -1.155 0.000 0.858 297 R HN 0.541 nan 8.270 nan 0.000 0.439 298 K N 0.231 120.542 120.400 -0.148 0.000 2.057 298 K HA -0.094 4.160 4.320 -0.110 0.000 0.206 298 K C 2.068 178.839 176.600 0.284 0.000 1.050 298 K CA 1.499 57.822 56.287 0.060 0.000 0.935 298 K CB -0.083 32.474 32.500 0.096 0.000 0.715 298 K HN 0.218 nan 8.250 nan 0.000 0.439 299 I N 1.085 121.791 120.570 0.226 0.000 2.163 299 I HA -0.307 3.797 4.170 -0.110 0.000 0.243 299 I C 2.284 178.466 176.117 0.109 0.000 1.085 299 I CA 0.784 62.175 61.300 0.151 0.000 1.347 299 I CB -0.210 37.731 38.000 -0.099 0.000 1.044 299 I HN 0.208 nan 8.210 nan 0.000 0.408 300 L N 0.938 122.223 121.223 0.102 0.000 2.042 300 L HA -0.136 4.138 4.340 -0.110 0.000 0.210 300 L C 2.384 179.416 176.870 0.272 0.000 1.076 300 L CA 2.233 57.179 54.840 0.177 0.000 0.749 300 L CB -1.181 41.020 42.059 0.236 0.000 0.893 300 L HN 0.234 nan 8.230 nan 0.000 0.432 301 G N -1.419 107.521 108.800 0.233 0.000 2.422 301 G HA2 -0.260 3.634 3.960 -0.110 0.000 0.218 301 G HA3 -0.260 3.634 3.960 -0.110 0.000 0.218 301 G C 1.598 176.609 174.900 0.184 0.000 1.146 301 G CA 0.766 46.001 45.100 0.225 0.000 0.769 301 G HN 0.605 nan 8.290 nan 0.000 0.547 302 A N 0.299 123.223 122.820 0.173 0.000 1.930 302 A HA 0.115 4.369 4.320 -0.110 0.000 0.217 302 A C 2.115 179.611 177.584 -0.146 0.000 1.175 302 A CA 1.478 53.518 52.037 0.005 0.000 0.627 302 A CB -0.473 18.540 19.000 0.022 0.000 0.815 302 A HN 0.428 nan 8.150 nan 0.000 0.443 303 F N 0.871 120.754 119.950 -0.112 0.000 2.051 303 F HA -0.155 4.269 4.527 -0.172 0.000 0.296 303 F C 2.189 178.008 175.800 0.033 0.000 1.122 303 F CA 2.149 60.090 58.000 -0.098 0.000 1.201 303 F CB -0.481 38.489 39.000 -0.050 0.000 0.978 303 F HN 0.010 nan 8.300 nan 0.000 0.472 304 V N 0.816 120.855 119.914 0.209 0.000 2.380 304 V HA -0.356 3.698 4.120 -0.110 0.000 0.251 304 V C 2.337 178.581 176.094 0.249 0.000 1.063 304 V CA 2.341 64.841 62.300 0.333 0.000 1.055 304 V CB -0.974 31.096 31.823 0.412 0.000 0.657 304 V HN 0.475 nan 8.190 nan 0.000 0.455 305 Q N -0.666 119.195 119.800 0.101 0.000 2.046 305 Q HA -0.123 4.151 4.340 -0.110 0.000 0.200 305 Q C 2.309 178.314 176.000 0.008 0.000 0.975 305 Q CA 1.732 57.578 55.803 0.071 0.000 0.836 305 Q CB -0.174 28.395 28.738 -0.283 0.000 0.896 305 Q HN 0.586 nan 8.270 nan 0.000 0.428 306 I N 0.640 121.010 120.570 -0.332 0.000 2.163 306 I HA -0.265 3.839 4.170 -0.110 0.000 0.240 306 I C 2.108 178.135 176.117 -0.150 0.000 1.081 306 I CA 0.741 61.821 61.300 -0.368 0.000 1.353 306 I CB -0.322 37.260 38.000 -0.697 0.000 1.054 306 I HN 0.218 nan 8.210 nan 0.000 0.407 307 I N 0.701 121.081 120.570 -0.315 0.000 2.194 307 I HA -0.278 3.826 4.170 -0.110 0.000 0.246 307 I C 2.623 178.722 176.117 -0.031 0.000 1.093 307 I CA 1.870 62.999 61.300 -0.285 0.000 1.355 307 I CB -2.031 35.540 38.000 -0.715 0.000 1.046 307 I HN 0.271 nan 8.210 nan 0.000 0.413 308 T N 1.047 115.733 114.554 0.220 0.000 2.708 308 T HA -0.152 4.132 4.350 -0.110 0.000 0.266 308 T C 1.788 176.651 174.700 0.273 0.000 1.037 308 T CA 1.588 63.944 62.100 0.426 0.000 1.146 308 T CB -0.360 68.878 68.868 0.616 0.000 0.865 308 T HN 0.113 nan 8.240 nan 0.000 0.435 309 F N 0.564 120.647 119.950 0.221 0.000 2.387 309 F HA 0.274 4.733 4.527 -0.113 0.000 0.294 309 F C 2.518 178.416 175.800 0.163 0.000 1.093 309 F CA 0.326 58.468 58.000 0.235 0.000 1.420 309 F CB -0.107 39.176 39.000 0.471 0.000 1.086 309 F HN -0.063 nan 8.300 nan 0.000 0.531 310 R N 0.064 120.729 120.500 0.275 0.000 2.090 310 R HA -0.052 4.222 4.340 -0.110 0.000 0.219 310 R C 1.053 177.405 176.300 0.087 0.000 1.100 310 R CA 1.620 57.822 56.100 0.171 0.000 0.991 310 R CB -0.042 30.338 30.300 0.133 0.000 0.893 310 R HN 0.115 nan 8.270 nan 0.000 0.443 311 D N -1.157 119.276 120.400 0.055 0.000 2.431 311 D HA -0.053 4.521 4.640 -0.110 0.000 0.227 311 D C 1.161 177.383 176.300 -0.130 0.000 1.030 311 D CA 0.559 54.581 54.000 0.038 0.000 0.897 311 D CB 0.014 40.925 40.800 0.185 0.000 1.058 311 D HN 0.205 nan 8.370 nan 0.000 0.500 312 Y N 1.326 121.427 120.300 -0.332 0.000 2.314 312 Y HA 0.192 4.675 4.550 -0.111 0.000 0.294 312 Y C 2.045 177.814 175.900 -0.217 0.000 1.139 312 Y CA 0.620 58.450 58.100 -0.450 0.000 1.162 312 Y CB -0.271 37.957 38.460 -0.386 0.000 1.121 312 Y HN -0.238 nan 8.280 nan 0.000 0.529 313 L N 0.692 121.718 121.223 -0.328 0.000 2.046 313 L HA -0.121 4.153 4.340 -0.110 0.000 0.208 313 L C -0.606 176.074 176.870 -0.317 0.000 1.077 313 L CA 1.290 55.848 54.840 -0.470 0.000 0.747 313 L CB -1.665 40.038 42.059 -0.595 0.000 0.896 313 L HN 0.197 nan 8.230 nan 0.000 0.432 314 P HA -0.179 nan 4.420 nan 0.000 0.218 314 P C 1.412 178.633 177.300 -0.132 0.000 1.146 314 P CA 1.448 64.477 63.100 -0.119 0.000 0.813 314 P CB -0.095 31.568 31.700 -0.061 0.000 0.778 315 I N -6.309 114.157 120.570 -0.172 0.000 3.956 315 I HA 0.098 4.202 4.170 -0.110 0.000 0.333 315 I C 1.205 177.250 176.117 -0.121 0.000 1.302 315 I CA 0.124 61.333 61.300 -0.153 0.000 1.122 315 I CB -0.076 37.823 38.000 -0.170 0.000 1.013 315 I HN -0.259 nan 8.210 nan 0.000 0.405 316 V N 0.523 120.327 119.914 -0.183 0.000 2.581 316 V HA 0.022 4.076 4.120 -0.110 0.000 0.240 316 V C 2.181 178.171 176.094 -0.174 0.000 1.054 316 V CA 0.805 63.009 62.300 -0.160 0.000 1.076 316 V CB -0.066 31.556 31.823 -0.334 0.000 0.748 316 V HN 0.286 nan 8.190 nan 0.000 0.474 317 L N 0.383 121.505 121.223 -0.167 0.000 2.179 317 L HA 0.312 4.586 4.340 -0.110 0.000 0.208 317 L C 1.763 178.606 176.870 -0.045 0.000 1.096 317 L CA 1.744 56.531 54.840 -0.088 0.000 0.779 317 L CB -1.610 40.420 42.059 -0.048 0.000 0.922 317 L HN 0.517 nan 8.230 nan 0.000 0.443 318 G N -0.126 108.635 108.800 -0.064 0.000 2.561 318 G HA2 -0.418 3.476 3.960 -0.110 0.000 0.289 318 G HA3 -0.418 3.476 3.960 -0.110 0.000 0.289 318 G C 1.116 176.002 174.900 -0.023 0.000 1.169 318 G CA 1.216 46.288 45.100 -0.047 0.000 0.980 318 G HN 0.421 nan 8.290 nan 0.000 0.550 319 S N 0.291 115.982 115.700 -0.014 0.000 2.481 319 S HA 0.080 4.484 4.470 -0.110 0.000 0.231 319 S C 1.595 176.195 174.600 0.001 0.000 0.996 319 S CA 1.766 59.960 58.200 -0.010 0.000 0.942 319 S CB 0.055 63.247 63.200 -0.015 0.000 0.768 319 S HN 0.622 nan 8.310 nan 0.000 0.520 320 E N 0.813 121.036 120.200 0.038 0.000 2.482 320 E HA 0.054 4.338 4.350 -0.110 0.000 0.196 320 E C 1.537 178.222 176.600 0.142 0.000 1.047 320 E CA 0.301 56.758 56.400 0.096 0.000 0.869 320 E CB -0.326 29.519 29.700 0.242 0.000 0.836 320 E HN 0.595 nan 8.360 nan 0.000 0.520 321 M N 1.268 120.919 119.600 0.085 0.000 2.073 321 M HA -0.256 4.158 4.480 -0.110 0.000 0.258 321 M C 2.029 178.373 176.300 0.073 0.000 1.070 321 M CA 1.852 57.201 55.300 0.082 0.000 1.103 321 M CB -0.163 32.449 32.600 0.020 0.000 1.321 321 M HN -0.068 nan 8.290 nan 0.000 0.405 322 Q N -0.405 119.405 119.800 0.018 0.000 2.135 322 Q HA -0.265 4.009 4.340 -0.110 0.000 0.204 322 Q C 2.123 178.082 176.000 -0.069 0.000 0.981 322 Q CA 2.018 57.816 55.803 -0.009 0.000 0.856 322 Q CB -0.388 28.334 28.738 -0.027 0.000 0.902 322 Q HN 0.651 nan 8.270 nan 0.000 0.425 323 K N -0.362 119.935 120.400 -0.172 0.000 2.217 323 K HA -0.155 4.099 4.320 -0.110 0.000 0.202 323 K C 1.119 177.403 176.600 -0.526 0.000 1.051 323 K CA 1.160 57.194 56.287 -0.421 0.000 0.952 323 K CB 0.064 32.195 32.500 -0.615 0.000 0.736 323 K HN 0.224 nan 8.250 nan 0.000 0.453 324 W N -0.276 121.033 121.300 0.015 0.000 2.893 324 W HA 0.298 4.891 4.660 -0.112 0.000 0.253 324 W C -0.112 176.439 176.519 0.054 0.000 1.171 324 W CA -0.768 56.595 57.345 0.030 0.000 1.480 324 W CB 0.650 30.137 29.460 0.044 0.000 0.963 324 W HN -0.185 nan 8.180 nan 0.000 0.637 325 I N 2.874 123.606 120.570 0.269 0.000 2.479 325 I HA 0.211 4.315 4.170 -0.110 0.000 0.279 325 I C -2.022 174.190 176.117 0.158 0.000 1.102 325 I CA -2.136 59.298 61.300 0.224 0.000 1.196 325 I CB -0.002 38.141 38.000 0.239 0.000 1.427 325 I HN -0.359 nan 8.210 nan 0.000 0.503 326 P HA 0.285 nan 4.420 nan 0.000 0.272 326 P C -2.547 174.821 177.300 0.113 0.000 1.240 326 P CA -1.346 61.801 63.100 0.079 0.000 0.791 326 P CB -0.338 31.385 31.700 0.037 0.000 0.978 327 P HA 0.022 nan 4.420 nan 0.000 0.266 327 P C -0.362 177.026 177.300 0.147 0.000 1.195 327 P CA 0.157 63.340 63.100 0.139 0.000 0.768 327 P CB -0.062 31.698 31.700 0.100 0.000 0.838 328 Y N 2.377 122.703 120.300 0.044 0.000 2.712 328 Y HA -0.057 4.432 4.550 -0.103 0.000 0.333 328 Y C 1.262 177.157 175.900 -0.009 0.000 1.225 328 Y CA 0.965 59.061 58.100 -0.007 0.000 1.499 328 Y CB 0.421 38.883 38.460 0.002 0.000 1.288 328 Y HN 0.423 nan 8.280 nan 0.000 0.575 329 Q N 3.906 123.404 119.800 -0.503 0.000 2.127 329 Q HA 0.316 4.590 4.340 -0.110 0.000 0.222 329 Q C -0.006 175.650 176.000 -0.572 0.000 0.794 329 Q CA 0.296 55.854 55.803 -0.408 0.000 1.010 329 Q CB 0.853 29.457 28.738 -0.222 0.000 1.170 329 Q HN 1.048 nan 8.270 nan 0.000 0.479 330 G N 1.018 109.106 108.800 -1.186 0.000 2.515 330 G HA2 -0.237 3.657 3.960 -0.110 0.000 0.686 330 G HA3 -0.237 3.657 3.960 -0.110 0.000 0.686 330 G C -1.384 173.286 174.900 -0.383 0.000 1.274 330 G CA -0.985 43.694 45.100 -0.702 0.000 0.874 330 G HN 0.157 nan 8.290 nan 0.000 0.631 331 Y N 1.828 122.049 120.300 -0.133 0.000 2.620 331 Y HA 0.496 4.981 4.550 -0.108 0.000 0.330 331 Y C 0.344 176.206 175.900 -0.063 0.000 1.186 331 Y CA -0.304 57.788 58.100 -0.012 0.000 1.467 331 Y CB 0.850 39.324 38.460 0.023 0.000 1.262 331 Y HN 0.637 nan 8.280 nan 0.000 0.550 332 N N 5.803 124.196 118.700 -0.510 0.000 2.518 332 N HA 0.068 4.742 4.740 -0.110 0.000 0.254 332 N C 0.254 175.346 175.510 -0.696 0.000 0.979 332 N CA -0.331 52.411 53.050 -0.514 0.000 0.930 332 N CB 0.232 38.574 38.487 -0.241 0.000 1.152 332 N HN 0.958 nan 8.380 nan 0.000 0.505 333 N N 1.272 119.494 118.700 -0.798 0.000 2.609 333 N HA -0.076 4.598 4.740 -0.110 0.000 0.190 333 N C 0.141 175.538 175.510 -0.188 0.000 1.157 333 N CA 0.295 53.032 53.050 -0.520 0.000 0.918 333 N CB 0.285 38.588 38.487 -0.307 0.000 0.978 333 N HN 0.146 nan 8.380 nan 0.000 0.448 334 S N 0.115 115.713 115.700 -0.170 0.000 2.517 334 S HA 0.147 4.551 4.470 -0.110 0.000 0.214 334 S C 0.534 175.106 174.600 -0.046 0.000 0.991 334 S CA -0.456 57.694 58.200 -0.084 0.000 0.906 334 S CB 0.509 63.660 63.200 -0.082 0.000 0.789 334 S HN 0.106 nan 8.310 nan 0.000 0.513 335 V N 3.472 123.356 119.914 -0.050 0.000 2.572 335 V HA 0.128 4.182 4.120 -0.110 0.000 0.291 335 V C 0.054 176.179 176.094 0.052 0.000 1.039 335 V CA -0.529 61.772 62.300 0.000 0.000 1.055 335 V CB 0.954 32.778 31.823 0.002 0.000 0.969 335 V HN 0.232 nan 8.190 nan 0.000 0.482 336 D N 7.638 128.077 120.400 0.065 0.000 2.339 336 D HA 0.240 4.814 4.640 -0.110 0.000 0.241 336 D C -1.414 174.949 176.300 0.105 0.000 1.183 336 D CA -2.100 51.956 54.000 0.093 0.000 0.859 336 D CB 1.678 42.540 40.800 0.102 0.000 1.067 336 D HN 0.276 nan 8.370 nan 0.000 0.484 337 P HA 0.057 nan 4.420 nan 0.000 0.249 337 P C 0.089 177.327 177.300 -0.103 0.000 1.229 337 P CA -0.066 63.053 63.100 0.033 0.000 0.788 337 P CB 0.324 32.092 31.700 0.113 0.000 1.072 338 R N 0.568 121.041 120.500 -0.044 0.000 2.590 338 R HA 0.176 4.450 4.340 -0.110 0.000 0.274 338 R C 0.555 176.800 176.300 -0.092 0.000 1.061 338 R CA -0.502 55.550 56.100 -0.079 0.000 1.081 338 R CB 0.305 30.601 30.300 -0.007 0.000 0.984 338 R HN 0.020 nan 8.270 nan 0.000 0.448 339 I N 2.726 123.202 120.570 -0.156 0.000 2.533 339 I HA -0.052 4.052 4.170 -0.110 0.000 0.284 339 I C 1.101 177.094 176.117 -0.207 0.000 1.109 339 I CA 0.395 61.565 61.300 -0.216 0.000 1.412 339 I CB 0.430 38.341 38.000 -0.148 0.000 1.396 339 I HN 0.683 nan 8.210 nan 0.000 0.543 340 S N 5.365 120.820 115.700 -0.409 0.000 2.603 340 S HA 0.156 4.560 4.470 -0.110 0.000 0.268 340 S C 1.083 175.485 174.600 -0.331 0.000 1.317 340 S CA -0.597 57.232 58.200 -0.617 0.000 1.012 340 S CB 1.374 63.512 63.200 -1.769 0.000 0.926 340 S HN 0.631 nan 8.310 nan 0.000 0.539 341 N N 0.661 119.238 118.700 -0.205 0.000 2.120 341 N HA -0.131 4.543 4.740 -0.110 0.000 0.188 341 N C 1.677 177.190 175.510 0.004 0.000 1.024 341 N CA 1.447 54.502 53.050 0.010 0.000 0.852 341 N CB -0.641 37.939 38.487 0.155 0.000 1.003 341 N HN 0.557 nan 8.380 nan 0.000 0.424 342 V N 0.665 120.478 119.914 -0.169 0.000 2.626 342 V HA -0.160 3.894 4.120 -0.110 0.000 0.252 342 V C 2.027 177.992 176.094 -0.215 0.000 1.067 342 V CA 1.227 63.377 62.300 -0.250 0.000 1.081 342 V CB -0.755 30.538 31.823 -0.883 0.000 0.686 342 V HN 0.247 nan 8.190 nan 0.000 0.468 343 F N 2.066 121.758 119.950 -0.429 0.000 2.126 343 F HA -0.205 4.255 4.527 -0.111 0.000 0.299 343 F C 2.620 178.336 175.800 -0.141 0.000 1.096 343 F CA 2.364 60.185 58.000 -0.298 0.000 1.255 343 F CB -0.746 38.040 39.000 -0.357 0.000 0.997 343 F HN 0.380 nan 8.300 nan 0.000 0.479 344 T N -2.406 112.032 114.554 -0.193 0.000 3.098 344 T HA -0.146 4.138 4.350 -0.110 0.000 0.266 344 T C 1.546 175.871 174.700 -0.625 0.000 1.145 344 T CA 1.251 63.117 62.100 -0.390 0.000 1.092 344 T CB -0.987 67.628 68.868 -0.423 0.000 0.908 344 T HN 0.321 nan 8.240 nan 0.000 0.526 345 F N 0.604 120.450 119.950 -0.173 0.000 2.602 345 F HA 0.555 5.017 4.527 -0.109 0.000 0.284 345 F C 2.740 178.549 175.800 0.015 0.000 1.111 345 F CA -0.019 57.932 58.000 -0.081 0.000 1.405 345 F CB -0.373 38.591 39.000 -0.060 0.000 1.121 345 F HN 0.190 nan 8.300 nan 0.000 0.603 346 A N -0.002 122.846 122.820 0.046 0.000 1.933 346 A HA -0.203 4.050 4.320 -0.110 0.000 0.218 346 A C 1.875 179.543 177.584 0.140 0.000 1.175 346 A CA 1.173 53.231 52.037 0.035 0.000 0.628 346 A CB -1.064 17.878 19.000 -0.097 0.000 0.814 346 A HN 0.361 nan 8.150 nan 0.000 0.444 347 F N 0.874 120.631 119.950 -0.321 0.000 2.699 347 F HA 0.068 4.527 4.527 -0.113 0.000 0.298 347 F C 1.774 177.389 175.800 -0.308 0.000 1.154 347 F CA 0.179 57.999 58.000 -0.300 0.000 1.457 347 F CB -0.374 38.193 39.000 -0.722 0.000 1.106 347 F HN 0.209 nan 8.300 nan 0.000 0.585 348 R N -0.184 120.310 120.500 -0.010 0.000 2.328 348 R HA -0.081 4.193 4.340 -0.110 0.000 0.206 348 R C 1.870 178.197 176.300 0.044 0.000 0.990 348 R CA 0.423 56.379 56.100 -0.240 0.000 1.085 348 R CB -0.821 29.386 30.300 -0.155 0.000 0.998 348 R HN 0.407 nan 8.270 nan 0.000 0.484 349 F N -1.168 118.860 119.950 0.131 0.000 2.216 349 F HA 0.071 4.530 4.527 -0.112 0.000 0.300 349 F C 1.962 177.843 175.800 0.134 0.000 1.085 349 F CA 0.879 58.955 58.000 0.127 0.000 1.326 349 F CB -0.871 38.184 39.000 0.091 0.000 1.027 349 F HN -0.126 nan 8.300 nan 0.000 0.497 350 G N -0.212 108.103 108.800 -0.808 0.000 2.479 350 G HA2 -0.244 3.650 3.960 -0.110 0.000 0.220 350 G HA3 -0.244 3.650 3.960 -0.110 0.000 0.220 350 G C 1.231 176.113 174.900 -0.030 0.000 1.115 350 G CA 1.030 45.825 45.100 -0.509 0.000 0.757 350 G HN 0.633 nan 8.290 nan 0.000 0.560 351 H N -0.166 118.920 119.070 0.027 0.000 2.421 351 H HA 0.033 4.523 4.556 -0.110 0.000 0.298 351 H C 2.326 177.778 175.328 0.208 0.000 1.087 351 H CA 0.892 57.026 56.048 0.143 0.000 1.330 351 H CB 0.002 29.909 29.762 0.242 0.000 1.388 351 H HN 0.356 nan 8.280 nan 0.000 0.526 352 M N 0.298 120.104 119.600 0.343 0.000 2.618 352 M HA -0.014 4.400 4.480 -0.110 0.000 0.240 352 M C 0.667 177.114 176.300 0.245 0.000 1.123 352 M CA 0.950 56.419 55.300 0.282 0.000 1.060 352 M CB 0.265 32.998 32.600 0.222 0.000 1.535 352 M HN 0.313 nan 8.290 nan 0.000 0.507 353 E N 0.296 120.636 120.200 0.234 0.000 2.498 353 E HA 0.125 4.409 4.350 -0.110 0.000 0.203 353 E C -0.107 176.615 176.600 0.204 0.000 1.013 353 E CA -0.131 56.408 56.400 0.230 0.000 0.927 353 E CB 0.937 30.784 29.700 0.244 0.000 1.012 353 E HN 0.175 nan 8.360 nan 0.000 0.482 354 V N 4.804 124.835 119.914 0.196 0.000 2.455 354 V HA 0.127 4.181 4.120 -0.110 0.000 0.273 354 V C -1.845 174.359 176.094 0.184 0.000 1.045 354 V CA -1.389 61.016 62.300 0.175 0.000 0.976 354 V CB 0.439 32.363 31.823 0.168 0.000 0.993 354 V HN 0.060 nan 8.190 nan 0.000 0.475 355 P HA 0.201 nan 4.420 nan 0.000 0.279 355 P C 0.586 177.969 177.300 0.137 0.000 1.282 355 P CA -0.434 62.760 63.100 0.156 0.000 0.788 355 P CB 0.861 32.641 31.700 0.134 0.000 1.139 356 S N -2.509 113.267 115.700 0.126 0.000 2.548 356 S HA 0.103 4.507 4.470 -0.110 0.000 0.215 356 S C 0.728 175.367 174.600 0.066 0.000 0.976 356 S CA 0.326 58.589 58.200 0.104 0.000 0.908 356 S CB -0.989 62.272 63.200 0.102 0.000 0.781 356 S HN 0.731 nan 8.310 nan 0.000 0.519 357 T N -1.130 113.459 114.554 0.057 0.000 2.896 357 T HA 0.740 5.024 4.350 -0.110 0.000 0.297 357 T C -1.033 173.678 174.700 0.019 0.000 1.108 357 T CA -0.771 61.344 62.100 0.025 0.000 1.004 357 T CB 1.835 70.723 68.868 0.033 0.000 1.159 357 T HN 0.013 nan 8.240 nan 0.000 0.499 358 V N 1.683 121.590 119.914 -0.011 0.000 2.540 358 V HA 0.669 4.723 4.120 -0.110 0.000 0.302 358 V C 0.019 176.107 176.094 -0.011 0.000 1.035 358 V CA -0.740 61.553 62.300 -0.012 0.000 0.873 358 V CB 1.935 33.732 31.823 -0.043 0.000 0.992 358 V HN 1.099 nan 8.190 nan 0.000 0.428 359 S N 3.173 118.877 115.700 0.006 0.000 2.549 359 S HA 0.726 5.130 4.470 -0.110 0.000 0.297 359 S C -0.350 174.242 174.600 -0.012 0.000 1.115 359 S CA -0.698 57.512 58.200 0.015 0.000 1.059 359 S CB 1.412 64.636 63.200 0.040 0.000 1.046 359 S HN 0.660 nan 8.310 nan 0.000 0.506 360 R N 1.745 122.247 120.500 0.003 0.000 2.445 360 R HA 0.638 4.912 4.340 -0.110 0.000 0.308 360 R C -1.079 175.231 176.300 0.017 0.000 0.961 360 R CA -0.242 55.826 56.100 -0.053 0.000 0.862 360 R CB 0.814 31.082 30.300 -0.054 0.000 1.144 360 R HN 0.483 nan 8.270 nan 0.000 0.447 361 L N 2.551 123.714 121.223 -0.099 0.000 2.362 361 L HA 0.486 4.760 4.340 -0.110 0.000 0.271 361 L C -0.150 176.651 176.870 -0.115 0.000 1.002 361 L CA -1.217 53.575 54.840 -0.080 0.000 0.818 361 L CB 1.871 43.819 42.059 -0.183 0.000 1.298 361 L HN 0.698 nan 8.230 nan 0.000 0.420 362 D N 0.300 120.733 120.400 0.054 0.000 2.440 362 D HA 0.048 4.622 4.640 -0.110 0.000 0.269 362 D C 0.623 176.838 176.300 -0.141 0.000 1.249 362 D CA -0.341 53.737 54.000 0.130 0.000 1.055 362 D CB 0.582 41.520 40.800 0.231 0.000 1.104 362 D HN 0.523 nan 8.370 nan 0.000 0.561 363 E N -1.053 119.104 120.200 -0.072 0.000 2.268 363 E HA -0.106 4.178 4.350 -0.110 0.000 0.195 363 E C 0.888 177.417 176.600 -0.118 0.000 0.995 363 E CA 0.657 56.983 56.400 -0.124 0.000 0.836 363 E CB -0.353 29.325 29.700 -0.037 0.000 0.763 363 E HN 0.459 nan 8.360 nan 0.000 0.491 364 N N -0.176 118.480 118.700 -0.074 0.000 2.322 364 N HA 0.013 4.687 4.740 -0.110 0.000 0.194 364 N C -0.729 174.666 175.510 -0.192 0.000 1.126 364 N CA -0.135 52.894 53.050 -0.035 0.000 0.845 364 N CB 0.222 38.750 38.487 0.068 0.000 0.976 364 N HN 0.123 nan 8.380 nan 0.000 0.475 365 Y N -0.117 119.913 120.300 -0.450 0.000 3.929 365 Y HA -0.247 4.236 4.550 -0.113 0.000 0.225 365 Y C -0.133 175.647 175.900 -0.201 0.000 1.200 365 Y CA 0.187 58.018 58.100 -0.448 0.000 1.791 365 Y CB -1.755 36.166 38.460 -0.898 0.000 1.561 365 Y HN 0.231 nan 8.280 nan 0.000 0.657 366 Q N 0.149 119.941 119.800 -0.013 0.000 2.214 366 Q HA 0.405 4.679 4.340 -0.110 0.000 0.251 366 Q C -2.205 173.828 176.000 0.056 0.000 0.936 366 Q CA -2.404 53.420 55.803 0.035 0.000 0.894 366 Q CB 0.670 29.429 28.738 0.036 0.000 1.252 366 Q HN -0.058 nan 8.270 nan 0.000 0.448 367 P HA -0.143 nan 4.420 nan 0.000 0.255 367 P C -0.752 176.621 177.300 0.122 0.000 1.161 367 P CA 0.490 63.642 63.100 0.088 0.000 0.768 367 P CB 0.069 31.803 31.700 0.058 0.000 0.746 368 W N 6.111 127.387 121.300 -0.039 0.000 2.497 368 W HA 0.435 5.031 4.660 -0.107 0.000 0.354 368 W C 0.785 177.291 176.519 -0.021 0.000 1.111 368 W CA 1.506 58.828 57.345 -0.038 0.000 1.510 368 W CB -0.209 29.221 29.460 -0.049 0.000 1.466 368 W HN 0.811 nan 8.180 nan 0.000 0.409 369 G N 5.823 114.467 108.800 -0.260 0.000 2.698 369 G HA2 -0.253 3.641 3.960 -0.110 0.000 0.225 369 G HA3 -0.253 3.641 3.960 -0.110 0.000 0.225 369 G C -1.785 173.058 174.900 -0.095 0.000 1.345 369 G CA -0.337 44.596 45.100 -0.277 0.000 0.871 369 G HN 0.373 nan 8.290 nan 0.000 0.540 370 P HA 0.221 nan 4.420 nan 0.000 0.252 370 P C 0.468 177.769 177.300 0.002 0.000 1.218 370 P CA 0.945 64.026 63.100 -0.031 0.000 0.807 370 P CB 0.394 32.073 31.700 -0.036 0.000 1.072 371 E N -0.396 119.816 120.200 0.021 0.000 3.646 371 E HA 0.386 4.670 4.350 -0.110 0.000 0.211 371 E C 1.010 177.656 176.600 0.077 0.000 1.034 371 E CA -0.332 56.093 56.400 0.042 0.000 1.341 371 E CB 0.526 30.252 29.700 0.043 0.000 1.202 371 E HN 0.025 nan 8.360 nan 0.000 0.447 372 A N 1.244 124.118 122.820 0.089 0.000 1.902 372 A HA -0.160 4.094 4.320 -0.110 0.000 0.217 372 A C 1.188 178.817 177.584 0.075 0.000 1.181 372 A CA 1.084 53.200 52.037 0.131 0.000 0.623 372 A CB 0.018 19.095 19.000 0.128 0.000 0.818 372 A HN 0.347 nan 8.150 nan 0.000 0.443 373 E N -0.269 119.960 120.200 0.047 0.000 2.151 373 E HA 0.581 4.865 4.350 -0.110 0.000 0.275 373 E C -1.465 175.137 176.600 0.004 0.000 0.936 373 E CA -0.505 55.910 56.400 0.026 0.000 0.777 373 E CB 0.650 30.370 29.700 0.033 0.000 1.108 373 E HN 0.367 nan 8.360 nan 0.000 0.401 374 L N 5.146 126.355 121.223 -0.023 0.000 2.370 374 L HA 0.519 4.793 4.340 -0.110 0.000 0.266 374 L C -2.352 174.471 176.870 -0.078 0.000 1.002 374 L CA -2.676 52.127 54.840 -0.061 0.000 0.818 374 L CB 2.090 44.088 42.059 -0.102 0.000 1.325 374 L HN 0.516 nan 8.230 nan 0.000 0.418 375 P HA 0.013 nan 4.420 nan 0.000 0.268 375 P C 0.459 177.644 177.300 -0.192 0.000 1.204 375 P CA -0.298 62.749 63.100 -0.088 0.000 0.768 375 P CB 0.756 32.421 31.700 -0.057 0.000 0.842 376 L N 4.605 125.754 121.223 -0.123 0.000 2.127 376 L HA -0.211 4.063 4.340 -0.110 0.000 0.211 376 L C 2.269 178.786 176.870 -0.589 0.000 1.089 376 L CA 1.792 56.489 54.840 -0.238 0.000 0.757 376 L CB -1.235 40.775 42.059 -0.081 0.000 0.899 376 L HN 0.536 nan 8.230 nan 0.000 0.434 377 H N -1.500 117.287 119.070 -0.472 0.000 2.489 377 H HA -0.107 4.383 4.556 -0.110 0.000 0.293 377 H C 1.573 176.674 175.328 -0.378 0.000 1.066 377 H CA 1.515 57.221 56.048 -0.570 0.000 1.305 377 H CB -0.913 28.871 29.762 0.037 0.000 1.386 377 H HN 0.541 nan 8.280 nan 0.000 0.551 378 T N -1.164 112.934 114.554 -0.760 0.000 3.148 378 T HA 0.155 4.439 4.350 -0.110 0.000 0.253 378 T C 1.647 176.161 174.700 -0.310 0.000 1.134 378 T CA 0.075 61.885 62.100 -0.483 0.000 1.051 378 T CB -0.335 68.277 68.868 -0.428 0.000 0.959 378 T HN 0.363 nan 8.240 nan 0.000 0.525 379 L N -0.592 120.387 121.223 -0.408 0.000 2.858 379 L HA 0.459 4.733 4.340 -0.110 0.000 0.251 379 L C -0.327 176.459 176.870 -0.140 0.000 1.149 379 L CA -0.646 54.023 54.840 -0.284 0.000 0.955 379 L CB 0.141 42.035 42.059 -0.274 0.000 1.289 379 L HN 0.149 nan 8.230 nan 0.000 0.542 380 F N 0.520 120.505 119.950 0.060 0.000 2.543 380 F HA 0.132 4.592 4.527 -0.111 0.000 0.375 380 F C 0.803 176.677 175.800 0.124 0.000 1.075 380 F CA -0.585 57.456 58.000 0.069 0.000 1.225 380 F CB -0.537 38.628 39.000 0.275 0.000 1.099 380 F HN -0.041 nan 8.300 nan 0.000 0.561 381 F N 0.231 120.311 119.950 0.217 0.000 3.100 381 F HA -0.324 4.138 4.527 -0.109 0.000 0.284 381 F C 0.602 176.416 175.800 0.023 0.000 0.875 381 F CA 0.330 58.395 58.000 0.108 0.000 1.039 381 F CB -1.427 37.657 39.000 0.141 0.000 1.111 381 F HN 0.512 nan 8.300 nan 0.000 0.575 382 N N 0.774 119.514 118.700 0.066 0.000 2.485 382 N HA 0.232 4.906 4.740 -0.110 0.000 0.243 382 N C 0.983 176.425 175.510 -0.114 0.000 0.987 382 N CA 0.673 53.694 53.050 -0.049 0.000 0.940 382 N CB 1.075 39.452 38.487 -0.184 0.000 1.122 382 N HN 0.270 nan 8.380 nan 0.000 0.509 383 T N -0.027 114.470 114.554 -0.095 0.000 3.015 383 T HA 0.009 4.293 4.350 -0.110 0.000 0.250 383 T C 1.817 176.463 174.700 -0.090 0.000 1.057 383 T CA -0.321 61.684 62.100 -0.158 0.000 1.066 383 T CB -0.360 68.248 68.868 -0.433 0.000 0.959 383 T HN 0.649 nan 8.240 nan 0.000 0.488 384 W N 2.240 123.479 121.300 -0.102 0.000 2.392 384 W HA 0.051 4.646 4.660 -0.109 0.000 0.279 384 W C 1.448 177.945 176.519 -0.037 0.000 1.225 384 W CA 0.004 57.303 57.345 -0.078 0.000 1.233 384 W CB -0.641 28.769 29.460 -0.083 0.000 1.122 384 W HN 0.091 nan 8.180 nan 0.000 0.561 385 R N 0.949 121.030 120.500 -0.698 0.000 2.189 385 R HA -0.003 4.271 4.340 -0.110 0.000 0.218 385 R C 2.048 178.190 176.300 -0.263 0.000 1.074 385 R CA 1.051 56.729 56.100 -0.703 0.000 0.991 385 R CB -0.456 29.342 30.300 -0.837 0.000 0.883 385 R HN 0.400 nan 8.270 nan 0.000 0.457 386 I N 0.011 120.488 120.570 -0.155 0.000 2.260 386 I HA -0.198 3.906 4.170 -0.110 0.000 0.237 386 I C 1.951 178.049 176.117 -0.031 0.000 1.075 386 I CA 0.903 62.163 61.300 -0.066 0.000 1.376 386 I CB -0.323 37.680 38.000 0.005 0.000 1.107 386 I HN -0.079 nan 8.210 nan 0.000 0.420 387 I N 0.753 121.287 120.570 -0.061 0.000 2.208 387 I HA -0.266 3.838 4.170 -0.110 0.000 0.245 387 I C 1.754 177.935 176.117 0.108 0.000 1.097 387 I CA 1.792 63.063 61.300 -0.048 0.000 1.363 387 I CB -0.340 37.662 38.000 0.004 0.000 1.051 387 I HN 0.092 nan 8.210 nan 0.000 0.413 388 K N -0.476 120.018 120.400 0.157 0.000 2.514 388 K HA 0.127 4.381 4.320 -0.110 0.000 0.207 388 K C -0.179 176.569 176.600 0.246 0.000 1.035 388 K CA 0.183 56.604 56.287 0.223 0.000 1.113 388 K CB 0.457 33.136 32.500 0.297 0.000 0.846 388 K HN 0.034 nan 8.250 nan 0.000 0.491 389 D N -0.590 119.922 120.400 0.186 0.000 3.120 389 D HA 0.128 4.702 4.640 -0.110 0.000 0.331 389 D C 0.341 176.722 176.300 0.135 0.000 1.595 389 D CA 0.560 54.701 54.000 0.236 0.000 0.771 389 D CB 0.582 41.465 40.800 0.139 0.000 1.274 389 D HN 0.241 nan 8.370 nan 0.000 0.503 390 G N -0.536 108.332 108.800 0.113 0.000 2.192 390 G HA2 0.195 4.089 3.960 -0.110 0.000 0.193 390 G HA3 0.195 4.089 3.960 -0.110 0.000 0.193 390 G C 1.058 175.908 174.900 -0.084 0.000 0.999 390 G CA 0.470 45.532 45.100 -0.063 0.000 0.659 390 G HN 1.174 nan 8.290 nan 0.000 0.503 391 G N -0.100 108.704 108.800 0.006 0.000 2.552 391 G HA2 -0.143 3.751 3.960 -0.110 0.000 0.265 391 G HA3 -0.143 3.751 3.960 -0.110 0.000 0.265 391 G C 0.804 175.710 174.900 0.010 0.000 1.234 391 G CA 0.444 45.608 45.100 0.106 0.000 0.944 391 G HN 0.859 nan 8.290 nan 0.000 0.568 392 I N 1.256 121.846 120.570 0.033 0.000 2.731 392 I HA 0.088 4.191 4.170 -0.110 0.000 0.260 392 I C 2.386 178.456 176.117 -0.077 0.000 1.138 392 I CA 1.709 63.000 61.300 -0.016 0.000 1.461 392 I CB -1.225 36.772 38.000 -0.005 0.000 1.128 392 I HN 0.493 nan 8.210 nan 0.000 0.438 393 D N 1.588 121.941 120.400 -0.077 0.000 2.092 393 D HA -0.139 4.435 4.640 -0.110 0.000 0.193 393 D C -0.718 175.454 176.300 -0.212 0.000 0.994 393 D CA 1.489 55.422 54.000 -0.111 0.000 0.828 393 D CB -1.741 39.023 40.800 -0.061 0.000 0.963 393 D HN 0.215 nan 8.370 nan 0.000 0.450 394 P HA -0.080 nan 4.420 nan 0.000 0.221 394 P C 1.262 178.378 177.300 -0.307 0.000 1.145 394 P CA 0.660 63.476 63.100 -0.474 0.000 0.795 394 P CB 0.158 31.283 31.700 -0.960 0.000 0.775 395 L N -1.609 119.478 121.223 -0.227 0.000 2.298 395 L HA 0.030 4.304 4.340 -0.110 0.000 0.209 395 L C 2.113 178.945 176.870 -0.062 0.000 1.084 395 L CA 1.195 55.953 54.840 -0.136 0.000 0.816 395 L CB -0.912 41.075 42.059 -0.121 0.000 0.967 395 L HN -0.201 nan 8.230 nan 0.000 0.460 396 V N -0.685 119.197 119.914 -0.054 0.000 2.591 396 V HA -0.165 3.889 4.120 -0.110 0.000 0.249 396 V C 2.549 178.671 176.094 0.047 0.000 1.053 396 V CA 1.183 63.493 62.300 0.017 0.000 1.068 396 V CB -0.507 31.328 31.823 0.021 0.000 0.689 396 V HN 0.372 nan 8.190 nan 0.000 0.462 397 R N 0.408 120.884 120.500 -0.041 0.000 2.096 397 R HA -0.093 4.181 4.340 -0.110 0.000 0.235 397 R C 2.488 178.859 176.300 0.118 0.000 1.127 397 R CA 1.429 57.513 56.100 -0.025 0.000 0.968 397 R CB -0.814 29.189 30.300 -0.495 0.000 0.861 397 R HN 0.575 nan 8.270 nan 0.000 0.440 398 G N 1.216 110.035 108.800 0.032 0.000 2.440 398 G HA2 -0.248 3.646 3.960 -0.110 0.000 0.218 398 G HA3 -0.248 3.646 3.960 -0.110 0.000 0.218 398 G C 1.412 176.381 174.900 0.114 0.000 1.154 398 G CA 0.514 45.656 45.100 0.071 0.000 0.767 398 G HN 0.157 nan 8.290 nan 0.000 0.552 399 L N -0.272 121.013 121.223 0.104 0.000 2.131 399 L HA 0.015 4.289 4.340 -0.110 0.000 0.210 399 L C 2.749 179.697 176.870 0.131 0.000 1.092 399 L CA 0.540 55.444 54.840 0.107 0.000 0.759 399 L CB -0.173 41.940 42.059 0.091 0.000 0.903 399 L HN 0.233 nan 8.230 nan 0.000 0.435 400 L N -1.427 119.917 121.223 0.202 0.000 2.249 400 L HA 0.029 4.303 4.340 -0.110 0.000 0.207 400 L C 2.496 179.553 176.870 0.312 0.000 1.090 400 L CA 0.761 55.746 54.840 0.242 0.000 0.802 400 L CB -0.425 41.856 42.059 0.369 0.000 0.947 400 L HN 0.130 nan 8.230 nan 0.000 0.453 401 A N -1.171 121.854 122.820 0.342 0.000 2.115 401 A HA 0.127 4.381 4.320 -0.110 0.000 0.211 401 A C 1.030 178.735 177.584 0.201 0.000 1.169 401 A CA 0.285 52.505 52.037 0.305 0.000 0.787 401 A CB 0.190 19.370 19.000 0.299 0.000 0.858 401 A HN 0.003 nan 8.150 nan 0.000 0.474 402 K N 0.527 121.028 120.400 0.169 0.000 2.177 402 K HA 0.545 4.799 4.320 -0.110 0.000 0.238 402 K C -0.776 175.905 176.600 0.134 0.000 1.015 402 K CA -0.302 56.066 56.287 0.135 0.000 0.922 402 K CB 0.821 33.390 32.500 0.115 0.000 1.127 402 K HN 0.162 nan 8.250 nan 0.000 0.469 403 K N 0.338 120.813 120.400 0.124 0.000 2.208 403 K HA 0.354 4.608 4.320 -0.110 0.000 0.247 403 K C -0.187 176.502 176.600 0.150 0.000 0.953 403 K CA -0.574 55.790 56.287 0.129 0.000 0.837 403 K CB 1.584 34.147 32.500 0.106 0.000 1.131 403 K HN 0.375 nan 8.250 nan 0.000 0.431 404 S N 1.108 116.921 115.700 0.187 0.000 2.584 404 S HA 0.027 4.431 4.470 -0.110 0.000 0.270 404 S C -0.020 174.689 174.600 0.182 0.000 1.346 404 S CA -0.374 57.961 58.200 0.224 0.000 1.018 404 S CB 0.485 63.898 63.200 0.355 0.000 0.899 404 S HN 0.411 nan 8.310 nan 0.000 0.542 405 K N 0.994 121.506 120.400 0.187 0.000 2.326 405 K HA 0.220 4.474 4.320 -0.110 0.000 0.275 405 K C -0.653 176.049 176.600 0.171 0.000 1.018 405 K CA -0.505 55.881 56.287 0.166 0.000 0.962 405 K CB 0.286 32.894 32.500 0.181 0.000 0.953 405 K HN 0.388 nan 8.250 nan 0.000 0.475 406 L N 4.981 126.276 121.223 0.121 0.000 2.292 406 L HA 0.226 4.500 4.340 -0.110 0.000 0.284 406 L C -0.090 176.834 176.870 0.090 0.000 1.065 406 L CA -0.218 54.684 54.840 0.104 0.000 0.806 406 L CB 1.139 43.231 42.059 0.055 0.000 1.175 406 L HN 0.722 nan 8.230 nan 0.000 0.431 407 M N 5.211 124.880 119.600 0.115 0.000 2.260 407 M HA 0.073 4.486 4.480 -0.110 0.000 0.348 407 M C -0.617 175.699 176.300 0.027 0.000 1.342 407 M CA 0.825 56.177 55.300 0.086 0.000 1.040 407 M CB -0.406 32.258 32.600 0.105 0.000 1.810 407 M HN 0.755 nan 8.290 nan 0.000 0.453 408 N N 3.342 122.037 118.700 -0.009 0.000 2.369 408 N HA 0.203 4.877 4.740 -0.110 0.000 0.287 408 N C -0.142 175.337 175.510 -0.052 0.000 1.067 408 N CA -0.261 52.762 53.050 -0.046 0.000 0.888 408 N CB 1.368 39.797 38.487 -0.095 0.000 1.616 408 N HN 0.646 nan 8.380 nan 0.000 0.482 409 Q N 0.494 120.269 119.800 -0.042 0.000 2.291 409 Q HA -0.041 4.233 4.340 -0.110 0.000 0.205 409 Q C -0.113 175.866 176.000 -0.034 0.000 0.970 409 Q CA 1.196 56.977 55.803 -0.037 0.000 0.876 409 Q CB 0.357 29.077 28.738 -0.030 0.000 0.935 409 Q HN 0.535 nan 8.270 nan 0.000 0.455 410 D N -0.180 120.188 120.400 -0.052 0.000 2.367 410 D HA 0.061 4.634 4.640 -0.110 0.000 0.207 410 D C -0.149 176.097 176.300 -0.090 0.000 1.034 410 D CA 0.557 54.530 54.000 -0.045 0.000 0.861 410 D CB 0.526 41.301 40.800 -0.041 0.000 0.943 410 D HN 0.071 nan 8.370 nan 0.000 0.515 411 K N 0.691 120.967 120.400 -0.207 0.000 2.723 411 K HA 0.359 4.613 4.320 -0.110 0.000 0.229 411 K C 0.538 176.998 176.600 -0.233 0.000 1.022 411 K CA -0.073 55.875 56.287 -0.564 0.000 1.045 411 K CB 1.909 33.678 32.500 -1.219 0.000 1.227 411 K HN -0.161 nan 8.250 nan 0.000 0.516 412 M N 0.266 119.941 119.600 0.126 0.000 2.224 412 M HA 0.096 4.510 4.480 -0.110 0.000 0.253 412 M C 0.564 177.051 176.300 0.312 0.000 1.115 412 M CA 0.919 56.320 55.300 0.169 0.000 1.168 412 M CB 0.382 33.056 32.600 0.123 0.000 1.288 412 M HN 0.080 nan 8.290 nan 0.000 0.446 413 V N 0.574 120.729 119.914 0.402 0.000 2.540 413 V HA 0.216 4.270 4.120 -0.110 0.000 0.302 413 V C 0.035 176.306 176.094 0.294 0.000 1.035 413 V CA -0.810 61.707 62.300 0.362 0.000 0.873 413 V CB 1.608 33.631 31.823 0.334 0.000 0.992 413 V HN 0.322 nan 8.190 nan 0.000 0.428 414 T N 2.657 117.354 114.554 0.239 0.000 2.932 414 T HA 0.036 4.319 4.350 -0.110 0.000 0.312 414 T C 1.435 176.112 174.700 -0.040 0.000 1.071 414 T CA 0.403 62.510 62.100 0.013 0.000 1.128 414 T CB 0.879 69.825 68.868 0.129 0.000 0.984 414 T HN 0.791 nan 8.240 nan 0.000 0.549 415 S N 2.898 118.497 115.700 -0.168 0.000 2.440 415 S HA -0.092 4.312 4.470 -0.110 0.000 0.238 415 S C 1.946 176.562 174.600 0.027 0.000 1.010 415 S CA 0.733 58.885 58.200 -0.081 0.000 0.972 415 S CB -0.202 62.923 63.200 -0.125 0.000 0.774 415 S HN 0.699 nan 8.310 nan 0.000 0.501 416 E N 1.153 121.401 120.200 0.080 0.000 2.118 416 E HA -0.101 4.183 4.350 -0.110 0.000 0.195 416 E C 1.868 178.666 176.600 0.330 0.000 0.992 416 E CA 0.937 57.457 56.400 0.199 0.000 0.804 416 E CB -0.270 29.550 29.700 0.200 0.000 0.741 416 E HN 0.498 nan 8.360 nan 0.000 0.458 417 L N -0.509 120.861 121.223 0.244 0.000 2.354 417 L HA 0.110 4.384 4.340 -0.110 0.000 0.212 417 L C 2.574 179.516 176.870 0.121 0.000 1.091 417 L CA 0.210 55.166 54.840 0.194 0.000 0.828 417 L CB -0.044 42.089 42.059 0.122 0.000 0.973 417 L HN -0.049 nan 8.230 nan 0.000 0.461 418 R N -0.192 120.370 120.500 0.104 0.000 2.200 418 R HA 0.006 4.280 4.340 -0.110 0.000 0.208 418 R C 1.265 177.603 176.300 0.063 0.000 1.033 418 R CA 0.732 56.881 56.100 0.082 0.000 1.000 418 R CB 0.328 30.669 30.300 0.069 0.000 0.906 418 R HN 0.344 nan 8.270 nan 0.000 0.462 419 N N -0.755 117.980 118.700 0.060 0.000 2.325 419 N HA 0.052 4.726 4.740 -0.110 0.000 0.220 419 N C -0.033 175.520 175.510 0.072 0.000 1.176 419 N CA 0.367 53.434 53.050 0.029 0.000 0.861 419 N CB 0.851 39.322 38.487 -0.027 0.000 1.230 419 N HN 0.036 nan 8.380 nan 0.000 0.479 420 K N 0.807 121.294 120.400 0.144 0.000 2.564 420 K HA 0.237 4.491 4.320 -0.110 0.000 0.205 420 K C -0.158 176.742 176.600 0.501 0.000 1.053 420 K CA -0.378 56.050 56.287 0.235 0.000 1.072 420 K CB 1.017 33.521 32.500 0.006 0.000 0.822 420 K HN -0.053 nan 8.250 nan 0.000 0.497 421 L N 1.476 122.912 121.223 0.356 0.000 2.455 421 L HA 0.193 4.467 4.340 -0.110 0.000 0.272 421 L C -0.432 176.606 176.870 0.279 0.000 1.174 421 L CA -0.061 54.876 54.840 0.162 0.000 0.869 421 L CB 0.124 42.160 42.059 -0.038 0.000 1.130 421 L HN 0.046 nan 8.230 nan 0.000 0.474 422 F N 4.919 124.869 119.950 0.000 0.000 2.404 422 F HA 0.391 4.852 4.527 -0.111 0.000 0.354 422 F C -0.126 175.654 175.800 -0.032 0.000 1.122 422 F CA -0.362 57.652 58.000 0.023 0.000 1.080 422 F CB 0.675 39.635 39.000 -0.066 0.000 1.131 422 F HN 0.453 nan 8.300 nan 0.000 0.471 423 Q N 8.344 127.768 119.800 -0.628 0.000 2.278 423 Q HA 0.227 4.501 4.340 -0.110 0.000 0.257 423 Q C -1.780 173.715 176.000 -0.842 0.000 0.928 423 Q CA -1.872 53.543 55.803 -0.647 0.000 0.932 423 Q CB 1.786 29.979 28.738 -0.910 0.000 1.221 423 Q HN 0.472 nan 8.270 nan 0.000 0.434 424 P HA -0.150 nan 4.420 nan 0.000 0.223 424 P C 0.808 177.750 177.300 -0.596 0.000 1.144 424 P CA 1.278 63.918 63.100 -0.767 0.000 0.783 424 P CB 0.455 31.742 31.700 -0.689 0.000 0.771 425 T N -1.379 112.802 114.554 -0.621 0.000 2.866 425 T HA 0.008 4.292 4.350 -0.110 0.000 0.250 425 T C 1.078 175.352 174.700 -0.710 0.000 1.033 425 T CA 0.702 62.393 62.100 -0.681 0.000 1.145 425 T CB -0.394 67.960 68.868 -0.856 0.000 0.866 425 T HN 0.237 nan 8.240 nan 0.000 0.434 426 H N 0.634 119.496 119.070 -0.346 0.000 2.490 426 H HA 0.415 4.905 4.556 -0.110 0.000 0.354 426 H C 0.812 175.911 175.328 -0.381 0.000 1.365 426 H CA -0.130 55.788 56.048 -0.217 0.000 1.413 426 H CB 1.043 30.854 29.762 0.081 0.000 1.631 426 H HN 0.080 nan 8.280 nan 0.000 0.607 427 K N 0.048 120.432 120.400 -0.025 0.000 2.370 427 K HA 0.160 4.414 4.320 -0.110 0.000 0.194 427 K C 0.711 177.572 176.600 0.434 0.000 1.070 427 K CA 0.145 56.468 56.287 0.061 0.000 0.998 427 K CB 0.618 33.181 32.500 0.105 0.000 0.911 427 K HN 0.384 nan 8.250 nan 0.000 0.533 428 I N -0.195 120.552 120.570 0.296 0.000 2.677 428 I HA 0.207 4.311 4.170 -0.110 0.000 0.305 428 I C -0.441 175.954 176.117 0.464 0.000 0.988 428 I CA -0.396 61.138 61.300 0.390 0.000 1.260 428 I CB 0.477 38.595 38.000 0.198 0.000 1.410 428 I HN 0.043 nan 8.210 nan 0.000 0.523 429 H N 3.015 122.380 119.070 0.492 0.000 2.855 429 H HA 0.495 4.984 4.556 -0.110 0.000 0.238 429 H C 0.846 176.337 175.328 0.271 0.000 1.847 429 H CA 0.110 56.461 56.048 0.504 0.000 1.368 429 H CB 0.019 30.075 29.762 0.491 0.000 1.758 429 H HN 0.901 nan 8.280 nan 0.000 0.546 430 G N 0.895 109.852 108.800 0.262 0.000 4.596 430 G HA2 0.068 3.962 3.960 -0.110 0.000 0.276 430 G HA3 0.068 3.962 3.960 -0.110 0.000 0.276 430 G C -0.284 174.583 174.900 -0.055 0.000 1.013 430 G CA -0.224 44.914 45.100 0.065 0.000 0.778 430 G HN 0.213 nan 8.290 nan 0.000 0.389 431 F N 0.778 120.770 119.950 0.069 0.000 2.375 431 F HA 0.552 5.013 4.527 -0.109 0.000 0.313 431 F C 0.158 175.980 175.800 0.037 0.000 1.176 431 F CA -0.456 57.565 58.000 0.036 0.000 1.142 431 F CB 1.307 40.300 39.000 -0.012 0.000 1.275 431 F HN -0.070 nan 8.300 nan 0.000 0.544 432 D N 1.438 121.993 120.400 0.258 0.000 2.469 432 D HA 0.153 4.727 4.640 -0.110 0.000 0.251 432 D C 0.442 176.800 176.300 0.097 0.000 1.173 432 D CA -0.424 53.661 54.000 0.142 0.000 0.882 432 D CB 1.297 42.165 40.800 0.112 0.000 1.129 432 D HN 0.349 nan 8.370 nan 0.000 0.549 433 L N 4.725 125.965 121.223 0.029 0.000 2.042 433 L HA -0.016 4.258 4.340 -0.110 0.000 0.210 433 L C 1.983 178.791 176.870 -0.103 0.000 1.076 433 L CA 2.498 57.293 54.840 -0.076 0.000 0.749 433 L CB -0.766 41.176 42.059 -0.195 0.000 0.893 433 L HN 0.525 nan 8.230 nan 0.000 0.432 434 A N -0.577 122.241 122.820 -0.004 0.000 1.858 434 A HA -0.111 4.143 4.320 -0.110 0.000 0.216 434 A C 2.463 180.025 177.584 -0.036 0.000 1.190 434 A CA 1.994 54.040 52.037 0.016 0.000 0.617 434 A CB -1.242 17.958 19.000 0.334 0.000 0.827 434 A HN 0.559 nan 8.150 nan 0.000 0.443 435 A N -0.239 122.604 122.820 0.039 0.000 1.902 435 A HA -0.093 4.161 4.320 -0.110 0.000 0.217 435 A C 2.143 179.699 177.584 -0.047 0.000 1.181 435 A CA 1.559 53.607 52.037 0.020 0.000 0.623 435 A CB -0.628 18.394 19.000 0.037 0.000 0.818 435 A HN 0.501 nan 8.150 nan 0.000 0.443 436 I N 0.079 120.644 120.570 -0.009 0.000 2.127 436 I HA -0.299 3.805 4.170 -0.110 0.000 0.241 436 I C 2.185 178.324 176.117 0.037 0.000 1.075 436 I CA 1.352 62.695 61.300 0.072 0.000 1.334 436 I CB -0.477 37.618 38.000 0.159 0.000 1.040 436 I HN 0.310 nan 8.210 nan 0.000 0.405 437 N N 0.800 119.409 118.700 -0.151 0.000 2.094 437 N HA -0.191 4.482 4.740 -0.110 0.000 0.191 437 N C 1.893 177.324 175.510 -0.132 0.000 1.023 437 N CA 1.452 54.332 53.050 -0.282 0.000 0.857 437 N CB -0.449 37.376 38.487 -1.103 0.000 1.013 437 N HN 0.349 nan 8.380 nan 0.000 0.426 438 L N 0.430 121.593 121.223 -0.100 0.000 2.072 438 L HA -0.138 4.136 4.340 -0.110 0.000 0.205 438 L C 2.508 179.376 176.870 -0.004 0.000 1.079 438 L CA 0.891 55.755 54.840 0.040 0.000 0.752 438 L CB -0.353 41.784 42.059 0.129 0.000 0.906 438 L HN 0.110 nan 8.230 nan 0.000 0.436 439 Q N 0.249 119.978 119.800 -0.118 0.000 2.135 439 Q HA -0.260 4.014 4.340 -0.110 0.000 0.204 439 Q C 2.201 178.200 176.000 -0.002 0.000 0.981 439 Q CA 1.697 57.326 55.803 -0.290 0.000 0.856 439 Q CB -0.067 28.116 28.738 -0.924 0.000 0.902 439 Q HN 0.110 nan 8.270 nan 0.000 0.425 440 R N -0.995 119.628 120.500 0.205 0.000 2.092 440 R HA -0.043 4.231 4.340 -0.110 0.000 0.231 440 R C 2.168 178.656 176.300 0.313 0.000 1.119 440 R CA 1.480 57.902 56.100 0.536 0.000 0.970 440 R CB -0.953 29.722 30.300 0.625 0.000 0.864 440 R HN 0.406 nan 8.270 nan 0.000 0.440 441 C N 0.044 119.222 119.300 -0.204 0.000 2.393 441 C HA -0.134 4.260 4.460 -0.110 0.000 0.276 441 C C 2.538 177.474 174.990 -0.091 0.000 1.215 441 C CA 1.382 60.023 59.018 -0.629 0.000 1.743 441 C CB -0.837 26.660 27.740 -0.405 0.000 2.044 441 C HN 0.529 nan 8.230 nan 0.000 0.464 442 R N 0.349 120.918 120.500 0.115 0.000 2.066 442 R HA -0.129 4.145 4.340 -0.110 0.000 0.232 442 R C 1.949 178.439 176.300 0.317 0.000 1.131 442 R CA 1.798 58.052 56.100 0.257 0.000 0.955 442 R CB -0.566 29.947 30.300 0.355 0.000 0.851 442 R HN 0.514 nan 8.270 nan 0.000 0.432 443 D N 0.286 120.951 120.400 0.442 0.000 2.133 443 D HA -0.199 4.375 4.640 -0.110 0.000 0.195 443 D C 1.433 177.988 176.300 0.426 0.000 0.997 443 D CA 1.422 55.712 54.000 0.482 0.000 0.840 443 D CB -0.102 41.127 40.800 0.716 0.000 0.947 443 D HN 0.392 nan 8.370 nan 0.000 0.452 444 H N -1.308 117.938 119.070 0.294 0.000 2.547 444 H HA 0.205 4.695 4.556 -0.110 0.000 0.266 444 H C 0.962 176.319 175.328 0.049 0.000 0.988 444 H CA 0.478 56.686 56.048 0.267 0.000 1.147 444 H CB 0.243 30.276 29.762 0.451 0.000 1.365 444 H HN 0.290 nan 8.280 nan 0.000 0.589 445 G N 1.744 110.524 108.800 -0.033 0.000 2.289 445 G HA2 -0.249 3.645 3.960 -0.110 0.000 0.280 445 G HA3 -0.249 3.645 3.960 -0.110 0.000 0.280 445 G C 0.136 174.937 174.900 -0.165 0.000 1.089 445 G CA -0.176 44.623 45.100 -0.501 0.000 0.939 445 G HN 0.113 nan 8.290 nan 0.000 0.499 446 M N 0.168 119.773 119.600 0.009 0.000 2.200 446 M HA 0.237 4.651 4.480 -0.110 0.000 0.355 446 M C -1.706 174.690 176.300 0.160 0.000 1.283 446 M CA -2.002 53.369 55.300 0.119 0.000 1.124 446 M CB 0.181 32.799 32.600 0.029 0.000 1.625 446 M HN -0.006 nan 8.290 nan 0.000 0.463 447 P HA 0.065 nan 4.420 nan 0.000 0.268 447 P C 0.359 177.751 177.300 0.154 0.000 1.208 447 P CA 0.010 63.133 63.100 0.038 0.000 0.777 447 P CB 0.397 31.903 31.700 -0.323 0.000 0.875 448 G N 0.326 109.149 108.800 0.038 0.000 2.611 448 G HA2 -0.048 3.846 3.960 -0.110 0.000 0.273 448 G HA3 -0.048 3.846 3.960 -0.110 0.000 0.273 448 G C 0.337 175.364 174.900 0.211 0.000 1.305 448 G CA -0.184 44.974 45.100 0.098 0.000 1.010 448 G HN 0.483 nan 8.290 nan 0.000 0.509 449 Y N 0.132 120.472 120.300 0.067 0.000 2.165 449 Y HA -0.183 4.300 4.550 -0.110 0.000 0.286 449 Y C 2.605 178.567 175.900 0.103 0.000 1.155 449 Y CA 2.404 60.568 58.100 0.107 0.000 1.164 449 Y CB 0.003 38.457 38.460 -0.011 0.000 0.978 449 Y HN 0.400 nan 8.280 nan 0.000 0.513 450 N N -0.454 118.242 118.700 -0.008 0.000 2.331 450 N HA -0.121 4.553 4.740 -0.110 0.000 0.180 450 N C 1.948 177.392 175.510 -0.110 0.000 1.019 450 N CA 1.206 54.191 53.050 -0.108 0.000 0.881 450 N CB -0.279 38.195 38.487 -0.022 0.000 0.972 450 N HN 0.309 nan 8.380 nan 0.000 0.435 451 S N -0.086 115.529 115.700 -0.142 0.000 2.370 451 S HA -0.119 4.285 4.470 -0.110 0.000 0.226 451 S C 1.605 176.014 174.600 -0.319 0.000 1.033 451 S CA 1.010 59.038 58.200 -0.287 0.000 1.011 451 S CB -0.274 62.640 63.200 -0.476 0.000 0.852 451 S HN 0.510 nan 8.310 nan 0.000 0.457 452 W N 1.652 122.948 121.300 -0.008 0.000 2.453 452 W HA 0.102 4.697 4.660 -0.109 0.000 0.289 452 W C 2.548 179.086 176.519 0.032 0.000 1.215 452 W CA -0.203 57.165 57.345 0.040 0.000 1.297 452 W CB -0.149 29.313 29.460 0.004 0.000 1.113 452 W HN 0.057 nan 8.180 nan 0.000 0.551 453 R N 0.311 120.824 120.500 0.022 0.000 2.094 453 R HA -0.139 4.135 4.340 -0.110 0.000 0.239 453 R C 2.344 178.663 176.300 0.032 0.000 1.137 453 R CA 1.722 57.783 56.100 -0.065 0.000 0.943 453 R CB -1.702 28.436 30.300 -0.270 0.000 0.850 453 R HN 0.364 nan 8.270 nan 0.000 0.433 454 G N 0.673 109.481 108.800 0.014 0.000 2.491 454 G HA2 -0.319 3.575 3.960 -0.110 0.000 0.218 454 G HA3 -0.319 3.575 3.960 -0.110 0.000 0.218 454 G C 1.402 176.356 174.900 0.090 0.000 1.180 454 G CA 0.729 45.846 45.100 0.029 0.000 0.774 454 G HN 0.326 nan 8.290 nan 0.000 0.562 455 F N 1.034 120.979 119.950 -0.010 0.000 2.154 455 F HA -0.157 4.304 4.527 -0.111 0.000 0.301 455 F C 2.094 177.957 175.800 0.106 0.000 1.087 455 F CA 1.294 59.326 58.000 0.053 0.000 1.274 455 F CB -0.132 38.948 39.000 0.133 0.000 1.009 455 F HN 0.164 nan 8.300 nan 0.000 0.485 456 c N 0.829 119.537 118.600 0.180 0.000 2.693 456 c HA 0.426 4.930 4.570 -0.110 0.000 0.286 456 c C 1.622 175.779 174.090 0.111 0.000 1.277 456 c CA 0.377 56.780 56.329 0.123 0.000 1.705 456 c CB -1.365 41.267 42.510 0.204 0.000 1.879 456 c HN 0.843 nan 8.230 nan 0.000 0.607 457 G N 1.444 110.271 108.800 0.044 0.000 2.273 457 G HA2 -0.251 3.643 3.960 -0.110 0.000 0.280 457 G HA3 -0.251 3.643 3.960 -0.110 0.000 0.280 457 G C -0.270 174.655 174.900 0.043 0.000 1.047 457 G CA 0.259 45.377 45.100 0.030 0.000 0.869 457 G HN 0.566 nan 8.290 nan 0.000 0.502 458 L N 0.248 121.498 121.223 0.045 0.000 2.333 458 L HA 0.672 4.946 4.340 -0.110 0.000 0.269 458 L C 1.238 178.112 176.870 0.008 0.000 1.010 458 L CA -0.658 54.202 54.840 0.034 0.000 0.818 458 L CB 1.865 43.950 42.059 0.043 0.000 1.306 458 L HN 0.361 nan 8.230 nan 0.000 0.430 459 S N 0.841 116.547 115.700 0.010 0.000 2.558 459 S HA 0.044 4.447 4.470 -0.110 0.000 0.287 459 S C -0.312 174.282 174.600 -0.009 0.000 1.321 459 S CA -0.372 57.831 58.200 0.006 0.000 1.048 459 S CB 0.210 63.420 63.200 0.017 0.000 0.844 459 S HN 0.622 nan 8.310 nan 0.000 0.512 460 Q N 2.435 122.232 119.800 -0.005 0.000 2.508 460 Q HA 0.352 4.626 4.340 -0.110 0.000 0.247 460 Q C -2.461 173.554 176.000 0.025 0.000 1.047 460 Q CA -1.966 53.832 55.803 -0.009 0.000 0.783 460 Q CB 1.127 29.854 28.738 -0.018 0.000 1.172 460 Q HN 0.591 nan 8.270 nan 0.000 0.515 461 P HA -0.010 nan 4.420 nan 0.000 0.268 461 P C -0.173 177.162 177.300 0.058 0.000 1.204 461 P CA -0.111 63.026 63.100 0.062 0.000 0.768 461 P CB 1.196 32.951 31.700 0.091 0.000 0.842 462 K N 0.341 120.767 120.400 0.044 0.000 2.391 462 K HA 0.138 4.392 4.320 -0.110 0.000 0.197 462 K C 0.947 177.568 176.600 0.035 0.000 1.087 462 K CA 0.608 56.920 56.287 0.041 0.000 1.012 462 K CB 0.369 32.892 32.500 0.038 0.000 0.925 462 K HN 0.622 nan 8.250 nan 0.000 0.547 463 T N -2.562 112.011 114.554 0.030 0.000 2.930 463 T HA 0.351 4.635 4.350 -0.110 0.000 0.290 463 T C 1.201 175.911 174.700 0.017 0.000 1.052 463 T CA -0.836 61.277 62.100 0.022 0.000 1.017 463 T CB 1.593 70.474 68.868 0.022 0.000 1.137 463 T HN -0.109 nan 8.240 nan 0.000 0.511 464 L N 0.471 121.699 121.223 0.009 0.000 2.021 464 L HA -0.173 4.100 4.340 -0.110 0.000 0.215 464 L C 2.670 179.545 176.870 0.010 0.000 1.074 464 L CA 1.911 56.754 54.840 0.005 0.000 0.760 464 L CB -0.383 41.677 42.059 0.002 0.000 0.889 464 L HN 0.856 nan 8.230 nan 0.000 0.433 465 K N -0.925 119.483 120.400 0.013 0.000 2.155 465 K HA -0.098 4.156 4.320 -0.110 0.000 0.203 465 K C 1.898 178.509 176.600 0.019 0.000 1.052 465 K CA 1.008 57.303 56.287 0.014 0.000 0.948 465 K CB -0.202 32.306 32.500 0.013 0.000 0.728 465 K HN 0.498 nan 8.250 nan 0.000 0.448 466 G N 1.155 109.969 108.800 0.023 0.000 2.421 466 G HA2 -0.247 3.647 3.960 -0.110 0.000 0.216 466 G HA3 -0.247 3.647 3.960 -0.110 0.000 0.216 466 G C 1.333 176.258 174.900 0.041 0.000 1.171 466 G CA 0.568 45.687 45.100 0.032 0.000 0.775 466 G HN 0.228 nan 8.290 nan 0.000 0.543 467 L N 0.480 121.726 121.223 0.038 0.000 2.131 467 L HA -0.027 4.247 4.340 -0.110 0.000 0.210 467 L C 2.934 179.818 176.870 0.023 0.000 1.092 467 L CA 1.777 56.639 54.840 0.037 0.000 0.759 467 L CB -0.479 41.588 42.059 0.014 0.000 0.903 467 L HN 0.321 nan 8.230 nan 0.000 0.435 468 Q N -1.535 118.274 119.800 0.016 0.000 2.084 468 Q HA -0.180 4.094 4.340 -0.110 0.000 0.202 468 Q C 1.953 177.962 176.000 0.016 0.000 0.978 468 Q CA 2.147 57.957 55.803 0.011 0.000 0.844 468 Q CB -0.276 28.467 28.738 0.008 0.000 0.898 468 Q HN 0.528 nan 8.270 nan 0.000 0.426 469 T N 0.438 115.005 114.554 0.022 0.000 2.737 469 T HA -0.100 4.183 4.350 -0.110 0.000 0.265 469 T C 2.059 176.778 174.700 0.032 0.000 1.038 469 T CA 1.208 63.322 62.100 0.024 0.000 1.144 469 T CB -0.244 68.638 68.868 0.024 0.000 0.866 469 T HN 0.034 nan 8.240 nan 0.000 0.434 470 V N 1.396 121.338 119.914 0.047 0.000 2.261 470 V HA -0.094 3.960 4.120 -0.110 0.000 0.246 470 V C 2.341 178.469 176.094 0.056 0.000 1.047 470 V CA 1.351 63.691 62.300 0.067 0.000 1.015 470 V CB -0.566 31.325 31.823 0.114 0.000 0.642 470 V HN 0.319 nan 8.190 nan 0.000 0.446 471 L N -0.532 120.714 121.223 0.038 0.000 2.395 471 L HA 0.075 4.349 4.340 -0.110 0.000 0.218 471 L C 1.346 178.221 176.870 0.008 0.000 1.130 471 L CA 0.910 55.758 54.840 0.013 0.000 0.826 471 L CB -1.274 40.776 42.059 -0.014 0.000 0.941 471 L HN 0.405 nan 8.230 nan 0.000 0.451 472 K N 0.621 121.028 120.400 0.012 0.000 3.077 472 K HA -0.238 4.016 4.320 -0.110 0.000 0.264 472 K C 0.032 176.633 176.600 0.001 0.000 1.008 472 K CA 0.554 56.845 56.287 0.008 0.000 0.740 472 K CB -1.403 31.101 32.500 0.008 0.000 1.273 472 K HN 0.327 nan 8.250 nan 0.000 0.477 473 N N 0.240 118.940 118.700 -0.001 0.000 2.616 473 N HA 0.144 4.818 4.740 -0.110 0.000 0.281 473 N C 0.109 175.616 175.510 -0.004 0.000 1.145 473 N CA -0.544 52.504 53.050 -0.005 0.000 0.919 473 N CB 1.251 39.732 38.487 -0.010 0.000 1.509 473 N HN -0.034 nan 8.380 nan 0.000 0.537 474 K N 2.235 122.634 120.400 -0.002 0.000 2.025 474 K HA 0.039 4.293 4.320 -0.110 0.000 0.207 474 K C 1.600 178.199 176.600 -0.002 0.000 1.049 474 K CA 0.938 57.225 56.287 -0.001 0.000 0.933 474 K CB 0.244 32.745 32.500 0.001 0.000 0.714 474 K HN 0.465 nan 8.250 nan 0.000 0.438 475 I N 1.155 121.724 120.570 -0.002 0.000 2.163 475 I HA -0.226 3.878 4.170 -0.110 0.000 0.240 475 I C 2.387 178.503 176.117 -0.002 0.000 1.081 475 I CA 0.921 62.221 61.300 -0.001 0.000 1.353 475 I CB -1.128 36.872 38.000 0.001 0.000 1.054 475 I HN 0.144 nan 8.210 nan 0.000 0.407 476 L N 1.727 122.947 121.223 -0.006 0.000 2.013 476 L HA -0.201 4.073 4.340 -0.110 0.000 0.212 476 L C 2.541 179.403 176.870 -0.014 0.000 1.073 476 L CA 2.403 57.236 54.840 -0.011 0.000 0.753 476 L CB -1.006 41.040 42.059 -0.021 0.000 0.890 476 L HN 0.231 nan 8.230 nan 0.000 0.432 477 A N -1.006 121.805 122.820 -0.016 0.000 1.972 477 A HA -0.266 3.988 4.320 -0.110 0.000 0.219 477 A C 2.452 180.030 177.584 -0.009 0.000 1.169 477 A CA 1.961 53.987 52.037 -0.018 0.000 0.635 477 A CB -0.584 18.409 19.000 -0.013 0.000 0.810 477 A HN 0.553 nan 8.150 nan 0.000 0.446 478 K N -0.126 120.271 120.400 -0.005 0.000 2.062 478 K HA -0.082 4.172 4.320 -0.110 0.000 0.205 478 K C 1.962 178.561 176.600 -0.001 0.000 1.051 478 K CA 1.383 57.668 56.287 -0.004 0.000 0.941 478 K CB -0.128 32.371 32.500 -0.003 0.000 0.719 478 K HN 0.438 nan 8.250 nan 0.000 0.440 479 K N 0.358 120.759 120.400 0.003 0.000 2.002 479 K HA -0.133 4.121 4.320 -0.110 0.000 0.209 479 K C 2.008 178.621 176.600 0.021 0.000 1.048 479 K CA 1.109 57.400 56.287 0.006 0.000 0.930 479 K CB -0.193 32.312 32.500 0.009 0.000 0.714 479 K HN 0.023 nan 8.250 nan 0.000 0.438 480 L N 0.792 122.042 121.223 0.046 0.000 2.043 480 L HA -0.192 4.082 4.340 -0.110 0.000 0.212 480 L C 2.412 179.370 176.870 0.147 0.000 1.075 480 L CA 1.687 56.606 54.840 0.132 0.000 0.752 480 L CB -0.568 41.520 42.059 0.048 0.000 0.891 480 L HN 0.225 nan 8.230 nan 0.000 0.432 481 M N -0.952 118.674 119.600 0.044 0.000 2.254 481 M HA -0.125 4.289 4.480 -0.110 0.000 0.265 481 M C 1.635 177.918 176.300 -0.029 0.000 1.066 481 M CA 1.359 56.661 55.300 0.004 0.000 1.123 481 M CB -0.409 32.180 32.600 -0.018 0.000 1.388 481 M HN 0.141 nan 8.290 nan 0.000 0.425 482 D N -0.435 119.949 120.400 -0.026 0.000 2.183 482 D HA -0.057 4.516 4.640 -0.110 0.000 0.203 482 D C 1.991 178.245 176.300 -0.077 0.000 0.969 482 D CA 1.149 55.120 54.000 -0.048 0.000 0.842 482 D CB -0.115 40.665 40.800 -0.033 0.000 0.957 482 D HN 0.356 nan 8.370 nan 0.000 0.484 483 L N -1.063 120.104 121.223 -0.093 0.000 2.209 483 L HA -0.063 4.211 4.340 -0.110 0.000 0.207 483 L C 1.484 178.176 176.870 -0.296 0.000 1.094 483 L CA 0.719 55.424 54.840 -0.225 0.000 0.790 483 L CB 0.056 41.911 42.059 -0.341 0.000 0.932 483 L HN 0.035 nan 8.230 nan 0.000 0.447 484 Y N -1.404 118.833 120.300 -0.106 0.000 2.444 484 Y HA 0.080 4.564 4.550 -0.110 0.000 0.252 484 Y C 1.202 176.927 175.900 -0.293 0.000 1.091 484 Y CA -0.552 57.468 58.100 -0.133 0.000 1.276 484 Y CB 0.556 38.957 38.460 -0.098 0.000 1.170 484 Y HN -0.101 nan 8.280 nan 0.000 0.517 485 K N -0.408 119.848 120.400 -0.240 0.000 3.495 485 K HA -0.237 4.017 4.320 -0.110 0.000 0.288 485 K C 0.382 176.659 176.600 -0.538 0.000 0.908 485 K CA 1.690 57.608 56.287 -0.614 0.000 1.231 485 K CB -1.818 29.786 32.500 -1.493 0.000 1.399 485 K HN 0.388 nan 8.250 nan 0.000 0.465 486 T N -0.792 113.589 114.554 -0.289 0.000 3.012 486 T HA 0.477 4.761 4.350 -0.110 0.000 0.330 486 T C -2.648 172.028 174.700 -0.040 0.000 1.321 486 T CA -1.174 60.862 62.100 -0.107 0.000 1.067 486 T CB 2.224 71.097 68.868 0.009 0.000 1.235 486 T HN -0.236 nan 8.240 nan 0.000 0.479 487 P HA 0.061 nan 4.420 nan 0.000 0.225 487 P C 0.730 178.050 177.300 0.033 0.000 1.148 487 P CA 0.643 63.741 63.100 -0.004 0.000 0.779 487 P CB 0.166 31.911 31.700 0.075 0.000 0.780 488 D N -0.872 119.549 120.400 0.034 0.000 2.218 488 D HA -0.107 4.467 4.640 -0.110 0.000 0.204 488 D C 1.326 177.621 176.300 -0.009 0.000 0.976 488 D CA 0.991 55.008 54.000 0.029 0.000 0.853 488 D CB -0.608 40.212 40.800 0.034 0.000 0.939 488 D HN 0.131 nan 8.370 nan 0.000 0.481 489 N N -0.110 118.571 118.700 -0.031 0.000 2.422 489 N HA 0.015 4.689 4.740 -0.110 0.000 0.181 489 N C -0.062 175.315 175.510 -0.222 0.000 1.080 489 N CA -0.101 52.918 53.050 -0.052 0.000 0.893 489 N CB 0.182 38.718 38.487 0.083 0.000 0.973 489 N HN 0.089 nan 8.380 nan 0.000 0.456 490 I N 2.463 122.769 120.570 -0.441 0.000 2.752 490 I HA -0.106 3.998 4.170 -0.110 0.000 0.286 490 I C 0.389 176.304 176.117 -0.336 0.000 1.180 490 I CA -0.505 60.282 61.300 -0.856 0.000 1.404 490 I CB -0.426 37.175 38.000 -0.666 0.000 1.389 490 I HN -0.009 nan 8.210 nan 0.000 0.549 491 D N 6.024 126.276 120.400 -0.248 0.000 2.533 491 D HA -0.119 4.455 4.640 -0.110 0.000 0.236 491 D C 1.518 177.851 176.300 0.055 0.000 1.137 491 D CA 0.081 54.094 54.000 0.022 0.000 0.867 491 D CB 1.006 41.902 40.800 0.159 0.000 1.170 491 D HN 0.443 nan 8.370 nan 0.000 0.474 492 I N 3.181 123.820 120.570 0.116 0.000 2.185 492 I HA -0.253 3.851 4.170 -0.110 0.000 0.246 492 I C 1.879 178.078 176.117 0.136 0.000 1.088 492 I CA 1.479 62.867 61.300 0.147 0.000 1.347 492 I CB -0.210 37.812 38.000 0.037 0.000 1.041 492 I HN 0.638 nan 8.210 nan 0.000 0.415 493 W N 0.535 121.831 121.300 -0.006 0.000 2.355 493 W HA -0.239 4.355 4.660 -0.111 0.000 0.309 493 W C 2.328 178.883 176.519 0.061 0.000 1.206 493 W CA 2.007 59.385 57.345 0.054 0.000 1.284 493 W CB -0.521 28.996 29.460 0.095 0.000 1.145 493 W HN 0.241 nan 8.180 nan 0.000 0.502 494 I N 0.803 121.348 120.570 -0.043 0.000 2.500 494 I HA 0.055 4.159 4.170 -0.110 0.000 0.252 494 I C 2.431 178.384 176.117 -0.274 0.000 1.142 494 I CA 1.956 63.097 61.300 -0.265 0.000 1.451 494 I CB -1.040 36.960 38.000 -0.001 0.000 1.093 494 I HN 0.068 nan 8.210 nan 0.000 0.430 495 G N -0.237 108.420 108.800 -0.237 0.000 2.414 495 G HA2 -0.165 3.729 3.960 -0.110 0.000 0.215 495 G HA3 -0.165 3.729 3.960 -0.110 0.000 0.215 495 G C 1.732 176.543 174.900 -0.148 0.000 1.188 495 G CA 0.555 45.388 45.100 -0.445 0.000 0.783 495 G HN 0.500 nan 8.290 nan 0.000 0.537 496 G N 0.735 109.568 108.800 0.055 0.000 2.440 496 G HA2 -0.238 3.656 3.960 -0.110 0.000 0.218 496 G HA3 -0.238 3.656 3.960 -0.110 0.000 0.218 496 G C 1.656 176.533 174.900 -0.038 0.000 1.154 496 G CA 1.154 46.303 45.100 0.080 0.000 0.767 496 G HN 0.534 nan 8.290 nan 0.000 0.552 497 N N 0.380 118.974 118.700 -0.176 0.000 2.446 497 N HA 0.210 4.884 4.740 -0.110 0.000 0.179 497 N C 2.121 177.536 175.510 -0.157 0.000 1.054 497 N CA 0.535 53.466 53.050 -0.199 0.000 0.905 497 N CB 0.045 38.291 38.487 -0.403 0.000 0.973 497 N HN 0.329 nan 8.380 nan 0.000 0.448 498 A N 0.599 123.319 122.820 -0.167 0.000 2.167 498 A HA 0.010 4.264 4.320 -0.110 0.000 0.214 498 A C 0.545 178.087 177.584 -0.070 0.000 1.151 498 A CA 0.349 52.308 52.037 -0.129 0.000 0.735 498 A CB 0.018 18.917 19.000 -0.168 0.000 0.802 498 A HN 0.243 nan 8.150 nan 0.000 0.467 499 E N 1.657 121.837 120.200 -0.034 0.000 2.360 499 E HA 0.206 4.490 4.350 -0.110 0.000 0.269 499 E C -2.300 174.300 176.600 0.001 0.000 1.022 499 E CA -1.952 54.455 56.400 0.013 0.000 0.887 499 E CB 0.445 30.184 29.700 0.065 0.000 0.990 499 E HN 0.302 nan 8.360 nan 0.000 0.426 500 P HA -0.062 nan 4.420 nan 0.000 0.269 500 P C -0.487 176.814 177.300 0.001 0.000 1.215 500 P CA 0.246 63.346 63.100 0.001 0.000 0.780 500 P CB 0.566 32.268 31.700 0.005 0.000 0.898 501 M N 1.677 121.274 119.600 -0.005 0.000 2.228 501 M HA 0.076 4.490 4.480 -0.110 0.000 0.351 501 M C 0.827 177.122 176.300 -0.008 0.000 1.233 501 M CA -0.386 54.907 55.300 -0.012 0.000 1.129 501 M CB 0.497 33.088 32.600 -0.014 0.000 1.604 501 M HN 0.197 nan 8.290 nan 0.000 0.457 502 V N 0.660 120.568 119.914 -0.009 0.000 3.139 502 V HA 0.099 4.153 4.120 -0.110 0.000 0.307 502 V C 0.305 176.390 176.094 -0.014 0.000 1.095 502 V CA -0.638 61.660 62.300 -0.002 0.000 1.160 502 V CB 0.331 32.160 31.823 0.010 0.000 1.003 502 V HN 0.874 nan 8.190 nan 0.000 0.489 503 E N 2.699 122.892 120.200 -0.012 0.000 2.465 503 E HA 0.088 4.372 4.350 -0.110 0.000 0.260 503 E C 0.513 177.095 176.600 -0.029 0.000 0.980 503 E CA 0.281 56.669 56.400 -0.019 0.000 0.927 503 E CB 0.114 29.804 29.700 -0.016 0.000 0.934 503 E HN 0.735 nan 8.360 nan 0.000 0.459 504 R N 0.685 121.162 120.500 -0.039 0.000 4.000 504 R HA -0.200 4.074 4.340 -0.110 0.000 0.348 504 R C 0.231 176.489 176.300 -0.069 0.000 1.204 504 R CA 0.833 56.901 56.100 -0.055 0.000 0.987 504 R CB -2.229 28.041 30.300 -0.051 0.000 1.446 504 R HN 0.616 nan 8.270 nan 0.000 0.555 505 G N -0.742 108.022 108.800 -0.060 0.000 3.016 505 G HA2 0.628 4.522 3.960 -0.110 0.000 0.270 505 G HA3 0.628 4.522 3.960 -0.110 0.000 0.270 505 G C 0.377 175.241 174.900 -0.060 0.000 1.352 505 G CA -0.620 44.438 45.100 -0.069 0.000 1.060 505 G HN 0.014 nan 8.290 nan 0.000 0.538 506 R N -0.819 119.648 120.500 -0.054 0.000 2.566 506 R HA 0.249 4.523 4.340 -0.110 0.000 0.388 506 R C -0.042 176.210 176.300 -0.080 0.000 0.989 506 R CA -0.006 56.096 56.100 0.003 0.000 1.164 506 R CB 0.410 30.820 30.300 0.182 0.000 1.459 506 R HN 0.536 nan 8.270 nan 0.000 0.553 507 V N -3.820 115.993 119.914 -0.167 0.000 3.130 507 V HA 0.924 4.978 4.120 -0.110 0.000 0.310 507 V C 0.418 176.453 176.094 -0.098 0.000 1.158 507 V CA -0.995 61.184 62.300 -0.202 0.000 1.029 507 V CB 1.698 33.279 31.823 -0.404 0.000 1.057 507 V HN 0.044 nan 8.190 nan 0.000 0.436 508 G N 0.238 109.001 108.800 -0.062 0.000 2.535 508 G HA2 0.547 4.441 3.960 -0.110 0.000 0.282 508 G HA3 0.547 4.441 3.960 -0.110 0.000 0.282 508 G C -1.813 173.094 174.900 0.012 0.000 1.350 508 G CA -0.783 44.312 45.100 -0.010 0.000 1.039 508 G HN 0.646 nan 8.290 nan 0.000 0.509 509 P HA -0.082 nan 4.420 nan 0.000 0.215 509 P C 2.108 179.461 177.300 0.088 0.000 1.157 509 P CA 0.398 63.555 63.100 0.095 0.000 0.863 509 P CB 0.085 31.844 31.700 0.098 0.000 0.787 510 L N -1.171 120.096 121.223 0.072 0.000 2.017 510 L HA -0.115 4.159 4.340 -0.110 0.000 0.208 510 L C 2.113 178.991 176.870 0.012 0.000 1.073 510 L CA 1.880 56.758 54.840 0.065 0.000 0.745 510 L CB -1.563 40.547 42.059 0.086 0.000 0.894 510 L HN -0.168 nan 8.230 nan 0.000 0.432 511 L N -0.011 121.205 121.223 -0.012 0.000 2.083 511 L HA -0.096 4.178 4.340 -0.110 0.000 0.209 511 L C 2.682 179.478 176.870 -0.124 0.000 1.083 511 L CA 1.939 56.736 54.840 -0.072 0.000 0.752 511 L CB -1.591 40.403 42.059 -0.108 0.000 0.899 511 L HN 0.378 nan 8.230 nan 0.000 0.433 512 A N -1.594 121.161 122.820 -0.109 0.000 1.933 512 A HA -0.292 3.962 4.320 -0.110 0.000 0.218 512 A C 2.601 179.936 177.584 -0.414 0.000 1.175 512 A CA 1.780 53.743 52.037 -0.124 0.000 0.628 512 A CB -1.386 17.645 19.000 0.051 0.000 0.814 512 A HN 0.604 nan 8.150 nan 0.000 0.444 513 c N -0.404 117.895 118.600 -0.503 0.000 2.462 513 c HA -0.017 4.487 4.570 -0.110 0.000 0.278 513 c C 2.590 176.281 174.090 -0.665 0.000 1.253 513 c CA 1.186 56.824 56.329 -1.151 0.000 1.713 513 c CB -1.558 40.618 42.510 -0.557 0.000 2.049 513 c HN 0.572 nan 8.230 nan 0.000 0.477 514 L N 0.575 121.685 121.223 -0.189 0.000 1.994 514 L HA -0.141 4.133 4.340 -0.110 0.000 0.208 514 L C 2.778 179.739 176.870 0.150 0.000 1.071 514 L CA 1.717 56.608 54.840 0.086 0.000 0.745 514 L CB -0.758 41.318 42.059 0.027 0.000 0.892 514 L HN 0.407 nan 8.230 nan 0.000 0.431 515 L N -0.506 120.759 121.223 0.070 0.000 1.994 515 L HA -0.130 4.144 4.340 -0.110 0.000 0.208 515 L C 2.753 179.777 176.870 0.257 0.000 1.071 515 L CA 1.497 56.478 54.840 0.234 0.000 0.745 515 L CB -1.328 40.811 42.059 0.134 0.000 0.892 515 L HN 0.319 nan 8.230 nan 0.000 0.431 516 G N -0.339 108.471 108.800 0.017 0.000 2.491 516 G HA2 -0.286 3.608 3.960 -0.110 0.000 0.218 516 G HA3 -0.286 3.608 3.960 -0.110 0.000 0.218 516 G C 1.737 176.711 174.900 0.122 0.000 1.180 516 G CA 0.757 45.891 45.100 0.056 0.000 0.774 516 G HN 0.234 nan 8.290 nan 0.000 0.562 517 R N -0.428 120.038 120.500 -0.057 0.000 2.094 517 R HA -0.153 4.121 4.340 -0.110 0.000 0.239 517 R C 2.736 179.113 176.300 0.128 0.000 1.137 517 R CA 1.875 57.989 56.100 0.023 0.000 0.943 517 R CB -0.399 29.823 30.300 -0.131 0.000 0.850 517 R HN 0.398 nan 8.270 nan 0.000 0.433 518 Q N 0.013 119.936 119.800 0.205 0.000 2.061 518 Q HA -0.159 4.115 4.340 -0.110 0.000 0.204 518 Q C 1.751 177.667 176.000 -0.140 0.000 0.984 518 Q CA 1.862 57.660 55.803 -0.007 0.000 0.846 518 Q CB -0.278 28.135 28.738 -0.541 0.000 0.902 518 Q HN 0.229 nan 8.270 nan 0.000 0.421 519 F N 0.512 120.480 119.950 0.030 0.000 2.146 519 F HA -0.151 4.310 4.527 -0.110 0.000 0.298 519 F C 2.516 178.477 175.800 0.268 0.000 1.096 519 F CA 1.557 59.646 58.000 0.148 0.000 1.275 519 F CB -0.620 38.397 39.000 0.029 0.000 1.008 519 F HN 0.245 nan 8.300 nan 0.000 0.480 520 Q N 0.809 120.831 119.800 0.370 0.000 2.077 520 Q HA -0.270 4.004 4.340 -0.110 0.000 0.206 520 Q C 2.047 178.139 176.000 0.154 0.000 0.989 520 Q CA 2.056 58.015 55.803 0.259 0.000 0.853 520 Q CB -0.385 28.483 28.738 0.217 0.000 0.907 520 Q HN 0.521 nan 8.270 nan 0.000 0.418 521 Q N 0.142 120.018 119.800 0.127 0.000 2.050 521 Q HA -0.132 4.142 4.340 -0.110 0.000 0.202 521 Q C 2.295 178.352 176.000 0.094 0.000 0.980 521 Q CA 1.767 57.624 55.803 0.091 0.000 0.840 521 Q CB -0.299 28.495 28.738 0.093 0.000 0.898 521 Q HN 0.669 nan 8.270 nan 0.000 0.424 522 I N -1.686 118.939 120.570 0.091 0.000 2.676 522 I HA -0.139 3.965 4.170 -0.110 0.000 0.259 522 I C 2.420 178.618 176.117 0.134 0.000 1.194 522 I CA 0.953 62.326 61.300 0.121 0.000 1.473 522 I CB -0.276 37.772 38.000 0.080 0.000 1.096 522 I HN 0.038 nan 8.210 nan 0.000 0.443 523 R N 1.640 122.104 120.500 -0.060 0.000 2.066 523 R HA -0.114 4.160 4.340 -0.110 0.000 0.224 523 R C 1.466 177.578 176.300 -0.313 0.000 1.122 523 R CA 1.851 57.563 56.100 -0.647 0.000 0.974 523 R CB -0.347 29.183 30.300 -1.284 0.000 0.871 523 R HN 0.315 nan 8.270 nan 0.000 0.435 524 D N -0.244 120.119 120.400 -0.061 0.000 2.269 524 D HA -0.039 4.535 4.640 -0.110 0.000 0.208 524 D C 1.361 177.766 176.300 0.175 0.000 0.963 524 D CA 1.321 55.366 54.000 0.075 0.000 0.864 524 D CB -0.173 40.644 40.800 0.030 0.000 0.936 524 D HN 0.511 nan 8.370 nan 0.000 0.505 525 G N -0.407 108.524 108.800 0.218 0.000 3.189 525 G HA2 -0.040 3.854 3.960 -0.110 0.000 0.225 525 G HA3 -0.040 3.854 3.960 -0.110 0.000 0.225 525 G C -0.039 175.187 174.900 0.544 0.000 1.159 525 G CA -0.247 45.055 45.100 0.338 0.000 0.763 525 G HN -0.017 nan 8.290 nan 0.000 0.549 526 D N 0.272 120.951 120.400 0.466 0.000 2.443 526 D HA 0.197 4.771 4.640 -0.110 0.000 0.221 526 D C 1.487 177.773 176.300 -0.023 0.000 1.097 526 D CA -0.689 53.508 54.000 0.329 0.000 0.865 526 D CB 0.958 42.039 40.800 0.469 0.000 1.034 526 D HN 0.078 nan 8.370 nan 0.000 0.511 527 R N 2.651 122.801 120.500 -0.584 0.000 2.200 527 R HA -0.093 4.181 4.340 -0.110 0.000 0.234 527 R C 0.606 176.399 176.300 -0.846 0.000 1.127 527 R CA 1.241 56.592 56.100 -1.249 0.000 0.989 527 R CB -0.024 29.475 30.300 -1.334 0.000 0.869 527 R HN 0.396 nan 8.270 nan 0.000 0.459 528 F N -0.946 118.889 119.950 -0.192 0.000 2.647 528 F HA 0.163 4.622 4.527 -0.113 0.000 0.300 528 F C 0.420 176.271 175.800 0.084 0.000 1.106 528 F CA -0.948 56.998 58.000 -0.090 0.000 1.313 528 F CB 0.160 39.078 39.000 -0.136 0.000 1.007 528 F HN 0.085 nan 8.300 nan 0.000 0.536 529 W N 2.987 124.328 121.300 0.068 0.000 2.293 529 W HA -0.160 4.452 4.660 -0.081 0.000 0.342 529 W C 1.262 177.844 176.519 0.104 0.000 1.274 529 W CA -0.368 57.016 57.345 0.066 0.000 1.290 529 W CB 0.436 29.831 29.460 -0.108 0.000 1.176 529 W HN 0.483 nan 8.180 nan 0.000 0.570 530 W N 4.046 124.989 121.300 -0.595 0.000 2.402 530 W HA -0.156 4.471 4.660 -0.055 0.000 0.286 530 W C 0.989 177.509 176.519 0.000 0.000 1.221 530 W CA 1.466 58.728 57.345 -0.139 0.000 1.257 530 W CB -0.757 28.547 29.460 -0.260 0.000 1.120 530 W HN 0.451 nan 8.180 nan 0.000 0.551 531 E N 0.852 120.371 120.200 -1.136 0.000 2.435 531 E HA -0.112 4.172 4.350 -0.110 0.000 0.195 531 E C 0.389 176.978 176.600 -0.018 0.000 1.029 531 E CA -0.080 55.872 56.400 -0.748 0.000 0.865 531 E CB -0.403 28.787 29.700 -0.851 0.000 0.833 531 E HN 0.004 nan 8.360 nan 0.000 0.510 532 N N 2.715 121.512 118.700 0.162 0.000 2.414 532 N HA -0.013 4.661 4.740 -0.110 0.000 0.268 532 N C -2.584 172.995 175.510 0.116 0.000 1.286 532 N CA -1.396 51.818 53.050 0.272 0.000 0.896 532 N CB 0.414 39.035 38.487 0.223 0.000 1.093 532 N HN -0.204 nan 8.380 nan 0.000 0.480 533 P HA 0.097 nan 4.420 nan 0.000 0.261 533 P C 0.658 177.967 177.300 0.015 0.000 1.183 533 P CA 0.653 63.782 63.100 0.048 0.000 0.761 533 P CB 0.423 32.143 31.700 0.034 0.000 0.785 534 G N 1.457 110.262 108.800 0.008 0.000 2.195 534 G HA2 -0.259 3.635 3.960 -0.110 0.000 0.224 534 G HA3 -0.259 3.635 3.960 -0.110 0.000 0.224 534 G C 0.836 175.703 174.900 -0.055 0.000 0.990 534 G CA 0.117 45.202 45.100 -0.024 0.000 0.639 534 G HN 0.405 nan 8.290 nan 0.000 0.514 535 V N -0.378 119.504 119.914 -0.052 0.000 2.379 535 V HA 0.408 4.462 4.120 -0.110 0.000 0.243 535 V C 1.115 177.012 176.094 -0.328 0.000 1.035 535 V CA 1.567 63.777 62.300 -0.149 0.000 1.035 535 V CB -0.228 31.539 31.823 -0.094 0.000 0.673 535 V HN 0.275 nan 8.190 nan 0.000 0.457 536 F N -0.211 119.770 119.950 0.053 0.000 2.561 536 F HA 0.488 4.996 4.527 -0.033 0.000 0.321 536 F C 0.772 176.548 175.800 -0.040 0.000 1.065 536 F CA -0.825 57.181 58.000 0.011 0.000 0.934 536 F CB 1.484 40.531 39.000 0.078 0.000 1.215 536 F HN -0.083 nan 8.300 nan 0.000 0.471 537 T N -1.957 112.653 114.554 0.093 0.000 2.860 537 T HA 0.148 4.432 4.350 -0.110 0.000 0.299 537 T C 0.920 175.636 174.700 0.028 0.000 1.045 537 T CA -0.416 61.692 62.100 0.013 0.000 1.071 537 T CB 0.982 69.814 68.868 -0.060 0.000 0.985 537 T HN 0.732 nan 8.240 nan 0.000 0.537 538 E N 0.733 120.945 120.200 0.020 0.000 2.097 538 E HA -0.179 4.105 4.350 -0.110 0.000 0.196 538 E C 2.201 178.811 176.600 0.017 0.000 1.000 538 E CA 1.648 58.066 56.400 0.029 0.000 0.804 538 E CB -0.099 29.613 29.700 0.022 0.000 0.740 538 E HN 0.679 nan 8.360 nan 0.000 0.454 539 K N 0.230 120.619 120.400 -0.018 0.000 2.097 539 K HA -0.152 4.102 4.320 -0.110 0.000 0.205 539 K C 2.249 178.807 176.600 -0.070 0.000 1.050 539 K CA 1.135 57.405 56.287 -0.029 0.000 0.938 539 K CB 0.030 32.507 32.500 -0.038 0.000 0.718 539 K HN 0.126 nan 8.250 nan 0.000 0.442 540 Q N -0.008 119.676 119.800 -0.195 0.000 2.084 540 Q HA -0.122 4.152 4.340 -0.110 0.000 0.202 540 Q C 2.084 178.029 176.000 -0.092 0.000 0.978 540 Q CA 1.274 56.833 55.803 -0.407 0.000 0.844 540 Q CB 0.036 28.375 28.738 -0.664 0.000 0.898 540 Q HN 0.216 nan 8.270 nan 0.000 0.426 541 R N 0.627 121.144 120.500 0.028 0.000 2.073 541 R HA -0.140 4.134 4.340 -0.110 0.000 0.234 541 R C 1.774 178.179 176.300 0.176 0.000 1.134 541 R CA 1.428 57.634 56.100 0.177 0.000 0.952 541 R CB -0.253 30.183 30.300 0.225 0.000 0.850 541 R HN 0.358 nan 8.270 nan 0.000 0.433 542 D N -0.035 120.435 120.400 0.116 0.000 2.221 542 D HA -0.126 4.448 4.640 -0.110 0.000 0.204 542 D C 1.733 178.089 176.300 0.092 0.000 0.982 542 D CA 1.183 55.244 54.000 0.101 0.000 0.857 542 D CB 0.050 40.894 40.800 0.072 0.000 0.934 542 D HN 0.099 nan 8.370 nan 0.000 0.475 543 S N -0.243 115.524 115.700 0.112 0.000 2.395 543 S HA 0.042 4.446 4.470 -0.110 0.000 0.225 543 S C 2.105 176.757 174.600 0.086 0.000 1.027 543 S CA 0.103 58.389 58.200 0.143 0.000 0.965 543 S CB 0.161 63.554 63.200 0.322 0.000 0.812 543 S HN 0.183 nan 8.310 nan 0.000 0.482 544 L N 0.925 122.180 121.223 0.053 0.000 2.217 544 L HA -0.017 4.257 4.340 -0.110 0.000 0.211 544 L C 2.455 179.217 176.870 -0.181 0.000 1.107 544 L CA 0.879 55.655 54.840 -0.107 0.000 0.783 544 L CB -0.417 41.483 42.059 -0.264 0.000 0.919 544 L HN 0.328 nan 8.230 nan 0.000 0.442 545 Q N 0.087 119.838 119.800 -0.082 0.000 2.364 545 Q HA -0.183 4.091 4.340 -0.110 0.000 0.207 545 Q C 1.789 177.770 176.000 -0.031 0.000 0.970 545 Q CA 1.060 56.831 55.803 -0.053 0.000 0.888 545 Q CB 0.087 28.875 28.738 0.083 0.000 0.951 545 Q HN 0.385 nan 8.270 nan 0.000 0.469 546 K N -0.342 120.047 120.400 -0.018 0.000 2.459 546 K HA 0.076 4.330 4.320 -0.110 0.000 0.193 546 K C 0.306 176.894 176.600 -0.021 0.000 1.030 546 K CA 0.041 56.323 56.287 -0.009 0.000 1.026 546 K CB 0.236 32.737 32.500 0.002 0.000 0.809 546 K HN 0.169 nan 8.250 nan 0.000 0.504 547 M N 1.039 120.619 119.600 -0.034 0.000 2.252 547 M HA -0.030 4.384 4.480 -0.110 0.000 0.333 547 M C 0.019 176.331 176.300 0.020 0.000 1.111 547 M CA 0.446 55.752 55.300 0.011 0.000 1.140 547 M CB 0.902 33.541 32.600 0.064 0.000 1.538 547 M HN 0.022 nan 8.290 nan 0.000 0.448 548 S N 1.426 117.172 115.700 0.078 0.000 2.570 548 S HA 0.397 4.801 4.470 -0.110 0.000 0.270 548 S C -0.056 174.627 174.600 0.139 0.000 1.149 548 S CA -1.005 57.232 58.200 0.063 0.000 0.837 548 S CB 0.792 63.996 63.200 0.007 0.000 1.124 548 S HN 0.697 nan 8.310 nan 0.000 0.465 549 F N 2.108 122.031 119.950 -0.046 0.000 2.234 549 F HA -0.012 4.453 4.527 -0.103 0.000 0.299 549 F C 2.459 178.209 175.800 -0.083 0.000 1.087 549 F CA 2.057 60.026 58.000 -0.052 0.000 1.340 549 F CB -0.361 38.463 39.000 -0.293 0.000 1.031 549 F HN 0.682 nan 8.300 nan 0.000 0.500 550 S N 0.241 115.960 115.700 0.032 0.000 2.359 550 S HA -0.301 4.102 4.470 -0.110 0.000 0.223 550 S C 1.973 176.514 174.600 -0.099 0.000 1.039 550 S CA 1.630 59.807 58.200 -0.038 0.000 1.042 550 S CB -0.499 62.659 63.200 -0.071 0.000 0.915 550 S HN 0.296 nan 8.310 nan 0.000 0.439 551 R N 1.247 121.688 120.500 -0.098 0.000 2.096 551 R HA -0.074 4.200 4.340 -0.110 0.000 0.240 551 R C 2.173 178.353 176.300 -0.200 0.000 1.139 551 R CA 1.309 57.336 56.100 -0.122 0.000 0.952 551 R CB -1.055 29.186 30.300 -0.099 0.000 0.854 551 R HN 0.379 nan 8.270 nan 0.000 0.436 552 L N 0.230 121.275 121.223 -0.297 0.000 2.051 552 L HA -0.196 4.078 4.340 -0.110 0.000 0.214 552 L C 2.083 178.724 176.870 -0.382 0.000 1.076 552 L CA 1.903 56.471 54.840 -0.453 0.000 0.758 552 L CB -0.323 41.296 42.059 -0.734 0.000 0.890 552 L HN 0.341 nan 8.230 nan 0.000 0.433 553 I N -1.950 118.417 120.570 -0.339 0.000 2.202 553 I HA -0.353 3.751 4.170 -0.110 0.000 0.242 553 I C 2.514 178.545 176.117 -0.142 0.000 1.091 553 I CA 1.260 62.436 61.300 -0.206 0.000 1.368 553 I CB -0.514 37.430 38.000 -0.093 0.000 1.058 553 I HN 0.383 nan 8.210 nan 0.000 0.410 554 c N 0.862 119.391 118.600 -0.118 0.000 2.413 554 c HA -0.194 4.310 4.570 -0.110 0.000 0.277 554 c C 2.363 176.385 174.090 -0.113 0.000 1.228 554 c CA 0.982 57.260 56.329 -0.085 0.000 1.731 554 c CB -1.026 41.444 42.510 -0.067 0.000 2.042 554 c HN 0.520 nan 8.230 nan 0.000 0.468 555 D N 0.345 120.658 120.400 -0.146 0.000 2.310 555 D HA -0.050 4.524 4.640 -0.110 0.000 0.212 555 D C 1.503 177.696 176.300 -0.177 0.000 0.965 555 D CA 0.924 54.831 54.000 -0.155 0.000 0.879 555 D CB -0.482 40.213 40.800 -0.175 0.000 0.921 555 D HN 0.609 nan 8.370 nan 0.000 0.510 556 N N -0.490 118.090 118.700 -0.200 0.000 2.166 556 N HA 0.014 4.688 4.740 -0.110 0.000 0.213 556 N C 0.375 175.743 175.510 -0.237 0.000 1.222 556 N CA 0.282 53.203 53.050 -0.214 0.000 0.900 556 N CB 1.617 39.970 38.487 -0.224 0.000 1.055 556 N HN 0.215 nan 8.380 nan 0.000 0.515 557 T N -2.997 111.414 114.554 -0.239 0.000 2.804 557 T HA 0.368 4.652 4.350 -0.110 0.000 0.290 557 T C 0.015 174.536 174.700 -0.298 0.000 1.099 557 T CA -0.506 61.438 62.100 -0.260 0.000 1.011 557 T CB 1.442 70.229 68.868 -0.135 0.000 1.291 557 T HN -0.012 nan 8.240 nan 0.000 0.523 558 H N -0.293 118.746 119.070 -0.053 0.000 2.538 558 H HA 0.384 4.876 4.556 -0.107 0.000 0.286 558 H C 0.275 175.571 175.328 -0.052 0.000 1.035 558 H CA -0.518 55.492 56.048 -0.063 0.000 1.169 558 H CB -0.047 29.653 29.762 -0.102 0.000 1.417 558 H HN 0.318 nan 8.280 nan 0.000 0.567 559 I N 1.764 122.353 120.570 0.032 0.000 2.556 559 I HA -0.018 4.086 4.170 -0.110 0.000 0.284 559 I C 1.261 177.422 176.117 0.072 0.000 1.114 559 I CA 0.443 61.771 61.300 0.046 0.000 1.418 559 I CB 1.059 39.093 38.000 0.056 0.000 1.394 559 I HN 0.267 nan 8.210 nan 0.000 0.552 560 T N 1.629 116.245 114.554 0.105 0.000 3.040 560 T HA 0.219 4.503 4.350 -0.110 0.000 0.266 560 T C 0.522 175.310 174.700 0.146 0.000 1.005 560 T CA -0.252 61.908 62.100 0.100 0.000 0.906 560 T CB 0.242 69.159 68.868 0.082 0.000 1.082 560 T HN 0.415 nan 8.240 nan 0.000 0.531 561 K N 1.979 122.522 120.400 0.238 0.000 2.604 561 K HA 0.597 4.851 4.320 -0.110 0.000 0.247 561 K C -1.092 175.809 176.600 0.503 0.000 0.956 561 K CA -0.557 55.936 56.287 0.344 0.000 0.896 561 K CB 2.017 34.773 32.500 0.427 0.000 1.131 561 K HN 0.252 nan 8.250 nan 0.000 0.440 562 V N 0.580 120.690 119.914 0.325 0.000 3.040 562 V HA 0.794 4.848 4.120 -0.110 0.000 0.312 562 V C -2.709 173.231 176.094 -0.256 0.000 1.115 562 V CA -2.612 59.782 62.300 0.157 0.000 0.998 562 V CB 1.841 33.703 31.823 0.065 0.000 1.042 562 V HN 0.529 nan 8.190 nan 0.000 0.433 563 P HA 0.304 nan 4.420 nan 0.000 0.276 563 P C 0.122 177.206 177.300 -0.361 0.000 1.252 563 P CA -0.290 62.432 63.100 -0.631 0.000 0.802 563 P CB 1.425 32.690 31.700 -0.725 0.000 1.035 564 L N 0.342 121.332 121.223 -0.388 0.000 2.102 564 L HA 0.059 4.333 4.340 -0.110 0.000 0.202 564 L C 1.254 177.827 176.870 -0.494 0.000 1.076 564 L CA 1.612 56.173 54.840 -0.465 0.000 0.761 564 L CB -1.526 40.144 42.059 -0.649 0.000 0.921 564 L HN 0.408 nan 8.230 nan 0.000 0.444 565 H N -0.738 118.266 119.070 -0.111 0.000 2.641 565 H HA 0.420 4.910 4.556 -0.111 0.000 0.295 565 H C 0.727 175.984 175.328 -0.118 0.000 1.070 565 H CA 0.225 56.231 56.048 -0.070 0.000 1.257 565 H CB 1.001 30.740 29.762 -0.038 0.000 1.393 565 H HN 0.067 nan 8.280 nan 0.000 0.464 566 A N 2.858 125.619 122.820 -0.098 0.000 2.178 566 A HA 0.024 4.278 4.320 -0.110 0.000 0.211 566 A C 1.163 178.580 177.584 -0.278 0.000 1.157 566 A CA 0.253 52.144 52.037 -0.243 0.000 0.780 566 A CB -0.236 18.577 19.000 -0.312 0.000 0.828 566 A HN 0.415 nan 8.150 nan 0.000 0.476 567 F N 0.691 120.650 119.950 0.016 0.000 2.569 567 F HA 0.077 4.534 4.527 -0.116 0.000 0.295 567 F C 1.578 177.389 175.800 0.019 0.000 1.115 567 F CA 0.390 58.426 58.000 0.060 0.000 1.450 567 F CB -0.106 38.968 39.000 0.123 0.000 1.107 567 F HN 0.388 nan 8.300 nan 0.000 0.563 568 Q N 1.014 120.902 119.800 0.145 0.000 2.312 568 Q HA 0.562 4.836 4.340 -0.110 0.000 0.236 568 Q C -0.054 175.969 176.000 0.038 0.000 0.965 568 Q CA -0.698 55.133 55.803 0.048 0.000 0.894 568 Q CB 1.018 29.767 28.738 0.019 0.000 1.225 568 Q HN 0.109 nan 8.270 nan 0.000 0.478 569 A N 2.502 125.337 122.820 0.026 0.000 2.524 569 A HA 0.131 4.384 4.320 -0.110 0.000 0.250 569 A C -0.767 176.845 177.584 0.048 0.000 1.078 569 A CA -0.098 51.968 52.037 0.048 0.000 0.761 569 A CB -0.661 18.365 19.000 0.044 0.000 1.012 569 A HN 0.810 nan 8.150 nan 0.000 0.500 570 N N 2.365 121.109 118.700 0.073 0.000 2.346 570 N HA 0.271 4.945 4.740 -0.110 0.000 0.289 570 N C -1.244 174.411 175.510 0.242 0.000 1.027 570 N CA -0.666 52.429 53.050 0.075 0.000 0.864 570 N CB 1.511 39.932 38.487 -0.111 0.000 1.370 570 N HN 0.690 nan 8.380 nan 0.000 0.481 571 N N 1.611 120.449 118.700 0.230 0.000 2.438 571 N HA 0.116 4.790 4.740 -0.110 0.000 0.282 571 N C -1.276 174.419 175.510 0.310 0.000 1.037 571 N CA -0.213 52.985 53.050 0.245 0.000 0.942 571 N CB 1.533 40.119 38.487 0.164 0.000 1.136 571 N HN 0.487 nan 8.380 nan 0.000 0.481 572 Y N 3.620 123.915 120.300 -0.009 0.000 2.304 572 Y HA 0.277 4.760 4.550 -0.112 0.000 0.328 572 Y C -1.256 174.579 175.900 -0.108 0.000 1.123 572 Y CA -1.186 56.722 58.100 -0.319 0.000 1.218 572 Y CB 1.022 38.940 38.460 -0.904 0.000 1.207 572 Y HN 0.500 nan 8.280 nan 0.000 0.495 573 P HA 0.043 nan 4.420 nan 0.000 0.267 573 P C 0.771 177.898 177.300 -0.288 0.000 1.289 573 P CA 0.627 63.067 63.100 -1.099 0.000 0.866 573 P CB 0.227 31.262 31.700 -1.107 0.000 1.309 574 H N 1.651 120.628 119.070 -0.155 0.000 2.319 574 H HA -0.103 4.389 4.556 -0.108 0.000 0.299 574 H C 0.987 176.317 175.328 0.004 0.000 1.092 574 H CA 1.971 57.984 56.048 -0.058 0.000 1.302 574 H CB -0.458 29.287 29.762 -0.028 0.000 1.373 574 H HN -0.075 nan 8.280 nan 0.000 0.497 575 D N -0.585 119.748 120.400 -0.110 0.000 2.349 575 D HA -0.011 4.563 4.640 -0.110 0.000 0.224 575 D C -0.486 175.698 176.300 -0.193 0.000 1.029 575 D CA 0.245 54.110 54.000 -0.225 0.000 0.879 575 D CB -0.156 40.565 40.800 -0.133 0.000 0.906 575 D HN 0.204 nan 8.370 nan 0.000 0.528 576 F N 0.971 120.809 119.950 -0.187 0.000 2.415 576 F HA 0.226 4.689 4.527 -0.107 0.000 0.348 576 F C 0.647 176.387 175.800 -0.100 0.000 1.119 576 F CA -1.207 56.725 58.000 -0.114 0.000 1.069 576 F CB 1.340 40.308 39.000 -0.053 0.000 1.124 576 F HN -0.314 nan 8.300 nan 0.000 0.472 577 V N -0.276 119.659 119.914 0.034 0.000 3.093 577 V HA 0.575 4.629 4.120 -0.110 0.000 0.320 577 V C -0.478 175.655 176.094 0.066 0.000 1.093 577 V CA -0.996 61.316 62.300 0.020 0.000 1.016 577 V CB 1.772 33.568 31.823 -0.044 0.000 1.096 577 V HN 0.641 nan 8.190 nan 0.000 0.452 578 D N 0.524 120.953 120.400 0.049 0.000 2.372 578 D HA 0.184 4.758 4.640 -0.110 0.000 0.243 578 D C 0.969 177.288 176.300 0.031 0.000 1.121 578 D CA 0.236 54.270 54.000 0.056 0.000 0.898 578 D CB 1.392 42.217 40.800 0.040 0.000 1.202 578 D HN 0.695 nan 8.370 nan 0.000 0.428 579 c N 1.354 119.975 118.600 0.035 0.000 2.411 579 c HA -0.134 4.370 4.570 -0.110 0.000 0.279 579 c C 2.683 176.768 174.090 -0.008 0.000 1.288 579 c CA 0.937 57.271 56.329 0.009 0.000 1.764 579 c CB -1.135 41.380 42.510 0.009 0.000 1.974 579 c HN 0.699 nan 8.230 nan 0.000 0.498 580 S N 1.013 116.712 115.700 -0.002 0.000 2.402 580 S HA -0.172 4.232 4.470 -0.110 0.000 0.233 580 S C 1.965 176.556 174.600 -0.014 0.000 1.030 580 S CA 1.418 59.613 58.200 -0.008 0.000 1.003 580 S CB -0.356 62.843 63.200 -0.002 0.000 0.813 580 S HN 0.780 nan 8.310 nan 0.000 0.477 581 A N 0.758 123.568 122.820 -0.016 0.000 2.206 581 A HA 0.270 4.524 4.320 -0.110 0.000 0.211 581 A C 0.708 178.269 177.584 -0.038 0.000 1.158 581 A CA 0.164 52.186 52.037 -0.025 0.000 0.761 581 A CB -0.101 18.883 19.000 -0.027 0.000 0.801 581 A HN 0.269 nan 8.150 nan 0.000 0.473 582 V N 1.577 121.467 119.914 -0.040 0.000 2.383 582 V HA 0.144 4.198 4.120 -0.110 0.000 0.275 582 V C -0.570 175.498 176.094 -0.044 0.000 1.036 582 V CA -0.980 61.288 62.300 -0.053 0.000 0.889 582 V CB 0.887 32.674 31.823 -0.060 0.000 0.985 582 V HN 0.336 nan 8.190 nan 0.000 0.459 583 D N 4.123 124.499 120.400 -0.040 0.000 2.583 583 D HA 0.040 4.614 4.640 -0.110 0.000 0.232 583 D C 0.275 176.552 176.300 -0.038 0.000 1.128 583 D CA 0.958 54.940 54.000 -0.030 0.000 0.859 583 D CB 0.439 41.227 40.800 -0.021 0.000 1.169 583 D HN 0.469 nan 8.370 nan 0.000 0.481 584 K N 1.686 122.065 120.400 -0.035 0.000 2.110 584 K HA 0.343 4.597 4.320 -0.110 0.000 0.263 584 K C -0.409 176.164 176.600 -0.045 0.000 0.975 584 K CA -1.167 55.091 56.287 -0.048 0.000 0.895 584 K CB 1.437 33.909 32.500 -0.047 0.000 1.060 584 K HN 0.291 nan 8.250 nan 0.000 0.448 585 L N 2.445 123.626 121.223 -0.070 0.000 2.433 585 L HA 0.060 4.334 4.340 -0.110 0.000 0.275 585 L C -0.468 176.364 176.870 -0.063 0.000 1.128 585 L CA 0.262 55.057 54.840 -0.075 0.000 0.875 585 L CB 0.095 42.073 42.059 -0.135 0.000 1.171 585 L HN 0.456 nan 8.230 nan 0.000 0.463 586 D N 4.460 124.858 120.400 -0.003 0.000 2.411 586 D HA 0.137 4.711 4.640 -0.110 0.000 0.225 586 D C 0.655 177.010 176.300 0.092 0.000 1.156 586 D CA 0.084 54.104 54.000 0.033 0.000 0.874 586 D CB 0.505 41.342 40.800 0.063 0.000 1.034 586 D HN 0.685 nan 8.370 nan 0.000 0.502 587 L N 2.799 124.029 121.223 0.011 0.000 2.627 587 L HA 0.001 4.275 4.340 -0.110 0.000 0.233 587 L C 2.107 179.126 176.870 0.247 0.000 1.144 587 L CA 0.134 54.983 54.840 0.016 0.000 0.892 587 L CB -0.225 41.718 42.059 -0.192 0.000 1.039 587 L HN 0.417 nan 8.230 nan 0.000 0.442 588 S N -0.338 115.485 115.700 0.204 0.000 2.406 588 S HA -0.008 4.396 4.470 -0.110 0.000 0.228 588 S C -0.501 174.214 174.600 0.193 0.000 1.020 588 S CA 0.299 58.593 58.200 0.157 0.000 0.965 588 S CB -1.275 61.973 63.200 0.080 0.000 0.798 588 S HN 0.213 nan 8.310 nan 0.000 0.488 589 P HA -0.034 nan 4.420 nan 0.000 0.229 589 P C 0.381 177.683 177.300 0.003 0.000 1.150 589 P CA 0.772 63.910 63.100 0.063 0.000 0.765 589 P CB -0.267 31.390 31.700 -0.071 0.000 0.783 590 W N -0.522 120.813 121.300 0.057 0.000 3.330 590 W HA 0.432 5.037 4.660 -0.093 0.000 0.348 590 W C 0.456 176.972 176.519 -0.005 0.000 1.205 590 W CA -0.620 56.784 57.345 0.099 0.000 1.841 590 W CB 0.034 29.573 29.460 0.131 0.000 1.084 590 W HN -0.116 nan 8.180 nan 0.000 0.665 591 A N 0.737 123.624 122.820 0.110 0.000 2.371 591 A HA 0.334 4.588 4.320 -0.110 0.000 0.257 591 A C 0.265 177.836 177.584 -0.021 0.000 1.089 591 A CA 0.243 52.268 52.037 -0.021 0.000 0.794 591 A CB 0.764 19.755 19.000 -0.014 0.000 1.029 591 A HN -0.020 nan 8.150 nan 0.000 0.488 592 S N 1.226 116.874 115.700 -0.087 0.000 2.259 592 S HA 0.296 4.700 4.470 -0.110 0.000 0.181 592 S C -0.276 174.315 174.600 -0.014 0.000 1.589 592 S CA -0.599 57.596 58.200 -0.008 0.000 1.234 592 S CB -0.263 62.970 63.200 0.056 0.000 1.119 592 S HN 0.661 nan 8.310 nan 0.000 0.458 593 R N 2.578 123.078 120.500 0.000 0.000 2.446 593 R HA 0.080 4.354 4.340 -0.110 0.000 0.325 593 R C 0.726 177.037 176.300 0.018 0.000 0.997 593 R CA -0.027 56.073 56.100 0.001 0.000 1.010 593 R CB 0.422 30.723 30.300 0.002 0.000 0.946 593 R HN 0.553 nan 8.270 nan 0.000 0.422 594 E N 2.304 122.513 120.200 0.014 0.000 1.996 594 E HA -0.151 4.133 4.350 -0.110 0.000 0.197 594 E C 0.301 176.916 176.600 0.024 0.000 1.002 594 E CA 1.094 57.510 56.400 0.027 0.000 0.840 594 E CB -0.166 29.548 29.700 0.023 0.000 0.786 594 E HN 0.473 nan 8.360 nan 0.000 0.469 595 N N 0.000 118.710 118.700 0.017 0.000 1.763 595 N HA 0.000 4.674 4.740 -0.110 0.000 0.220 595 N CA 0.000 53.059 53.050 0.015 0.000 0.885 595 N CB 0.000 38.493 38.487 0.010 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667