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 1i6q_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASKKSVRWcT TSPAESKKcA QWQRRMKKVR GPSVTcVKKT SRFEcIQAIS DATA SEQUENCE TEKADAVTLD GGLVYDAGLD PYKLRPIAAE VYGTENQPQT HYYAVAIAKK DATA SEQUENCE GTNFQLNQLQ GLKScHTGLG RSAGWNIPMG LLRPFLDWTG PPEPLQKAVA DATA SEQUENCE KFFSAScVPC VDGKEYPNLc QLcAGTGENK cACSSQEPYF GYSGAFKcLQ DATA SEQUENCE DGAGDVAFVK DSTVFESLPA KADRDQYELL cPNNTRKPVD AFQEcHLARV DATA SEQUENCE PSHAVVARSV NGKEDLIWKL LVKAQEKFGR GKPSAFQLFG SPAGQKDLLF DATA SEQUENCE KDSALGLLRI PKKIDSGLYL GSNYITAIRG LRETAAEVEL RRAQVVWcAV DATA SEQUENCE GSDEQLKCQE WSRQSNQSVV CATASTTEDc IALVLKGEAD ALSLDGGYIY DATA SEQUENCE IAGKcGLVPV LAESQQSPES SGLDcVHRPV KGYLAVAVVR KANDKITWNS DATA SEQUENCE LRGKKScHTA VDRTAGWNIP MGPLFKDTDS cRFDEFFSQS cAPGSDPRSK DATA SEQUENCE LcALcAGNEE GQLKcVPNSS ERLYGYTGAF RcLAENVGDV AFVKDVTVLD DATA SEQUENCE NTDGKGTEQW AKDLKLGDFE LLcLNGTRKP VTEAEScHLP VAPNHAVVSR DATA SEQUENCE IDKVAHLRQV LLRQQAHFGR NGEDcPGKFc LFQSKTKNLL FNDNTEcLAK DATA SEQUENCE LQGKTTYDEY LGPQYVTAIA KLRRcSTSPL LEAcAFLMR 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.578 177.584 -0.010 0.000 1.274 1 A CA 0.000 52.031 52.037 -0.009 0.000 0.836 1 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 2 S N 0.783 116.477 115.700 -0.010 0.000 2.552 2 S HA 0.624 5.075 4.470 -0.031 0.000 0.314 2 S C -0.370 174.224 174.600 -0.011 0.000 1.099 2 S CA -0.508 57.685 58.200 -0.011 0.000 1.070 2 S CB 0.627 63.820 63.200 -0.011 0.000 0.998 2 S HN 0.505 nan 8.310 nan 0.000 0.474 3 K N 2.310 122.703 120.400 -0.012 0.000 2.415 3 K HA 0.456 4.757 4.320 -0.031 0.000 0.275 3 K C 0.894 177.488 176.600 -0.011 0.000 1.019 3 K CA -1.032 55.248 56.287 -0.012 0.000 1.173 3 K CB 0.083 32.574 32.500 -0.015 0.000 1.602 3 K HN 0.344 nan 8.250 nan 0.000 0.717 4 K N 1.784 122.177 120.400 -0.011 0.000 2.486 4 K HA -0.005 4.297 4.320 -0.031 0.000 0.194 4 K C 0.481 177.075 176.600 -0.010 0.000 1.033 4 K CA 0.605 56.886 56.287 -0.009 0.000 1.004 4 K CB -0.129 32.365 32.500 -0.009 0.000 0.798 4 K HN 0.616 nan 8.250 nan 0.000 0.495 5 S N -0.389 115.301 115.700 -0.017 0.000 2.596 5 S HA 0.282 4.733 4.470 -0.031 0.000 0.262 5 S C 0.294 174.891 174.600 -0.005 0.000 1.218 5 S CA -0.841 57.346 58.200 -0.023 0.000 0.998 5 S CB 0.919 64.095 63.200 -0.039 0.000 1.060 5 S HN -0.089 nan 8.310 nan 0.000 0.552 6 V N 1.210 121.125 119.914 0.001 0.000 2.448 6 V HA 0.430 4.532 4.120 -0.031 0.000 0.295 6 V C -0.289 175.841 176.094 0.060 0.000 1.025 6 V CA -0.791 61.536 62.300 0.045 0.000 0.859 6 V CB 1.499 33.384 31.823 0.103 0.000 0.988 6 V HN 0.745 nan 8.190 nan 0.000 0.431 7 R N 4.746 125.275 120.500 0.049 0.000 2.205 7 R HA 0.218 4.539 4.340 -0.031 0.000 0.342 7 R C -0.357 175.998 176.300 0.093 0.000 1.058 7 R CA -0.257 55.876 56.100 0.056 0.000 0.904 7 R CB 0.818 31.123 30.300 0.007 0.000 1.089 7 R HN 0.676 nan 8.270 nan 0.000 0.471 8 W N 3.242 124.535 121.300 -0.012 0.000 2.161 8 W HA 0.162 4.802 4.660 -0.034 0.000 0.344 8 W C -0.340 176.193 176.519 0.024 0.000 1.262 8 W CA -0.572 56.799 57.345 0.042 0.000 1.270 8 W CB 1.496 31.031 29.460 0.125 0.000 1.126 8 W HN 0.387 nan 8.180 nan 0.000 0.598 9 c N 4.944 123.503 118.600 -0.069 0.000 2.301 9 c HA 0.322 4.873 4.570 -0.031 0.000 0.313 9 c C 0.599 174.762 174.090 0.122 0.000 1.121 9 c CA -0.282 56.037 56.329 -0.016 0.000 1.507 9 c CB -1.110 41.308 42.510 -0.154 0.000 1.975 9 c HN 0.518 nan 8.230 nan 0.000 0.425 10 T N 1.608 116.265 114.554 0.171 0.000 2.897 10 T HA 0.380 4.711 4.350 -0.031 0.000 0.294 10 T C 0.997 175.741 174.700 0.072 0.000 1.004 10 T CA 0.237 62.427 62.100 0.150 0.000 1.106 10 T CB 1.407 70.363 68.868 0.148 0.000 0.949 10 T HN 0.739 nan 8.240 nan 0.000 0.520 11 T N -1.043 113.547 114.554 0.060 0.000 2.971 11 T HA 0.302 4.634 4.350 -0.031 0.000 0.252 11 T C 0.558 175.282 174.700 0.040 0.000 1.022 11 T CA -0.255 61.869 62.100 0.040 0.000 0.980 11 T CB 0.061 68.951 68.868 0.036 0.000 1.044 11 T HN 0.675 nan 8.240 nan 0.000 0.501 12 S N 1.612 117.339 115.700 0.045 0.000 2.568 12 S HA 0.553 5.005 4.470 -0.031 0.000 0.293 12 S C -2.475 172.148 174.600 0.038 0.000 1.089 12 S CA -1.430 56.794 58.200 0.039 0.000 0.945 12 S CB 2.089 65.312 63.200 0.039 0.000 1.077 12 S HN -0.187 nan 8.310 nan 0.000 0.485 13 P HA -0.078 nan 4.420 nan 0.000 0.216 13 P C 1.389 178.705 177.300 0.025 0.000 1.150 13 P CA 1.597 64.712 63.100 0.025 0.000 0.837 13 P CB -0.092 31.620 31.700 0.019 0.000 0.786 14 A N -0.340 122.497 122.820 0.027 0.000 1.929 14 A HA -0.203 4.098 4.320 -0.031 0.000 0.216 14 A C 2.325 179.930 177.584 0.035 0.000 1.176 14 A CA 1.751 53.804 52.037 0.027 0.000 0.628 14 A CB -1.124 17.893 19.000 0.028 0.000 0.816 14 A HN 0.217 nan 8.150 nan 0.000 0.444 15 E N 0.656 120.882 120.200 0.044 0.000 2.047 15 E HA -0.153 4.178 4.350 -0.031 0.000 0.191 15 E C 2.072 178.711 176.600 0.065 0.000 0.987 15 E CA 1.727 58.161 56.400 0.057 0.000 0.799 15 E CB -0.168 29.570 29.700 0.064 0.000 0.752 15 E HN 0.625 nan 8.360 nan 0.000 0.449 16 S N 1.669 117.405 115.700 0.059 0.000 2.419 16 S HA -0.250 4.201 4.470 -0.031 0.000 0.233 16 S C 1.914 176.534 174.600 0.033 0.000 1.016 16 S CA 1.301 59.535 58.200 0.057 0.000 0.974 16 S CB -0.513 62.715 63.200 0.047 0.000 0.786 16 S HN 0.408 nan 8.310 nan 0.000 0.492 17 K N 2.380 122.793 120.400 0.021 0.000 2.001 17 K HA -0.207 4.094 4.320 -0.031 0.000 0.214 17 K C 2.164 178.757 176.600 -0.012 0.000 1.050 17 K CA 1.818 58.105 56.287 0.001 0.000 0.934 17 K CB -0.475 32.026 32.500 0.001 0.000 0.718 17 K HN 0.369 nan 8.250 nan 0.000 0.443 18 K N 0.367 120.771 120.400 0.006 0.000 2.147 18 K HA -0.139 4.162 4.320 -0.031 0.000 0.205 18 K C 2.281 178.875 176.600 -0.011 0.000 1.049 18 K CA 1.396 57.681 56.287 -0.003 0.000 0.936 18 K CB -0.211 32.315 32.500 0.043 0.000 0.722 18 K HN 0.391 nan 8.250 nan 0.000 0.446 19 c N 0.134 118.770 118.600 0.062 0.000 2.475 19 c HA 0.126 4.678 4.570 -0.031 0.000 0.279 19 c C 2.709 176.813 174.090 0.023 0.000 1.322 19 c CA 0.766 57.172 56.329 0.129 0.000 1.734 19 c CB -0.848 41.752 42.510 0.149 0.000 2.005 19 c HN 0.592 nan 8.230 nan 0.000 0.495 20 A N 1.156 123.967 122.820 -0.015 0.000 1.859 20 A HA -0.304 3.998 4.320 -0.031 0.000 0.217 20 A C 2.076 179.594 177.584 -0.111 0.000 1.198 20 A CA 2.325 54.331 52.037 -0.050 0.000 0.629 20 A CB -1.056 17.919 19.000 -0.040 0.000 0.830 20 A HN 0.881 nan 8.150 nan 0.000 0.446 21 Q N -2.566 117.128 119.800 -0.177 0.000 2.369 21 Q HA -0.156 4.165 4.340 -0.031 0.000 0.206 21 Q C 1.770 177.483 176.000 -0.479 0.000 0.963 21 Q CA 1.187 56.802 55.803 -0.313 0.000 0.894 21 Q CB -0.405 28.101 28.738 -0.387 0.000 0.965 21 Q HN 0.767 nan 8.270 nan 0.000 0.475 22 W N 2.851 123.764 121.300 -0.646 0.000 2.355 22 W HA -0.198 4.444 4.660 -0.030 0.000 0.309 22 W C 2.254 178.599 176.519 -0.291 0.000 1.206 22 W CA 1.788 58.757 57.345 -0.628 0.000 1.284 22 W CB -0.516 28.794 29.460 -0.250 0.000 1.145 22 W HN 0.421 nan 8.180 nan 0.000 0.502 23 Q N 0.049 119.730 119.800 -0.198 0.000 2.096 23 Q HA -0.238 4.083 4.340 -0.031 0.000 0.204 23 Q C 2.179 178.089 176.000 -0.150 0.000 0.982 23 Q CA 1.810 57.477 55.803 -0.227 0.000 0.850 23 Q CB -0.411 28.229 28.738 -0.163 0.000 0.901 23 Q HN 0.048 nan 8.270 nan 0.000 0.422 24 R N 0.387 120.798 120.500 -0.148 0.000 2.057 24 R HA 0.005 4.327 4.340 -0.031 0.000 0.229 24 R C 2.261 178.524 176.300 -0.063 0.000 1.136 24 R CA 1.528 57.566 56.100 -0.104 0.000 0.952 24 R CB -0.504 29.731 30.300 -0.108 0.000 0.848 24 R HN 0.250 nan 8.270 nan 0.000 0.430 25 R N -0.003 120.442 120.500 -0.091 0.000 2.193 25 R HA -0.046 4.275 4.340 -0.031 0.000 0.229 25 R C 2.008 178.456 176.300 0.245 0.000 1.110 25 R CA 0.939 57.081 56.100 0.069 0.000 0.988 25 R CB -0.291 30.019 30.300 0.016 0.000 0.871 25 R HN 0.033 nan 8.270 nan 0.000 0.458 26 M N 0.452 120.155 119.600 0.171 0.000 2.254 26 M HA -0.076 4.385 4.480 -0.031 0.000 0.265 26 M C 1.188 177.519 176.300 0.052 0.000 1.066 26 M CA 1.681 57.075 55.300 0.157 0.000 1.123 26 M CB 0.120 32.696 32.600 -0.040 0.000 1.388 26 M HN -0.058 nan 8.290 nan 0.000 0.425 27 K N -1.070 119.339 120.400 0.014 0.000 2.137 27 K HA -0.063 4.238 4.320 -0.031 0.000 0.202 27 K C 2.028 178.640 176.600 0.020 0.000 1.052 27 K CA 0.832 57.118 56.287 -0.001 0.000 0.961 27 K CB -0.005 32.483 32.500 -0.019 0.000 0.741 27 K HN 0.266 nan 8.250 nan 0.000 0.452 28 K N 0.962 121.388 120.400 0.044 0.000 2.057 28 K HA -0.105 4.196 4.320 -0.031 0.000 0.206 28 K C 2.062 178.697 176.600 0.058 0.000 1.050 28 K CA 1.438 57.756 56.287 0.051 0.000 0.935 28 K CB 0.029 32.565 32.500 0.061 0.000 0.715 28 K HN 0.093 nan 8.250 nan 0.000 0.439 29 V N -1.249 118.714 119.914 0.082 0.000 3.306 29 V HA 0.146 4.247 4.120 -0.031 0.000 0.264 29 V C 0.046 176.141 176.094 0.002 0.000 1.149 29 V CA -0.163 62.160 62.300 0.039 0.000 1.143 29 V CB -0.470 31.360 31.823 0.010 0.000 0.767 29 V HN 0.390 nan 8.190 nan 0.000 0.476 30 R N 0.590 121.096 120.500 0.009 0.000 1.827 30 R HA 0.106 4.428 4.340 -0.031 0.000 0.385 30 R C -0.544 175.741 176.300 -0.025 0.000 1.215 30 R CA 0.689 56.784 56.100 -0.009 0.000 0.985 30 R CB -1.667 28.625 30.300 -0.012 0.000 2.989 30 R HN 1.717 nan 8.270 nan 0.000 0.489 31 G N 4.006 112.792 108.800 -0.023 0.000 2.632 31 G HA2 0.578 4.519 3.960 -0.031 0.000 0.292 31 G HA3 0.578 4.519 3.960 -0.031 0.000 0.292 31 G C -3.052 171.825 174.900 -0.039 0.000 1.465 31 G CA -0.861 44.216 45.100 -0.039 0.000 0.824 31 G HN 0.279 nan 8.290 nan 0.000 0.509 32 P HA 0.046 nan 4.420 nan 0.000 0.262 32 P C 0.569 177.814 177.300 -0.091 0.000 1.151 32 P CA 0.393 63.460 63.100 -0.054 0.000 0.757 32 P CB 0.581 32.256 31.700 -0.042 0.000 0.754 33 S N 2.881 118.534 115.700 -0.080 0.000 2.549 33 S HA 0.268 4.719 4.470 -0.031 0.000 0.286 33 S C -0.291 174.217 174.600 -0.153 0.000 1.314 33 S CA -0.376 57.763 58.200 -0.102 0.000 1.062 33 S CB -0.029 63.131 63.200 -0.066 0.000 0.865 33 S HN 0.333 nan 8.310 nan 0.000 0.498 34 V N 5.310 125.082 119.914 -0.237 0.000 2.686 34 V HA 0.768 4.869 4.120 -0.031 0.000 0.306 34 V C -0.409 175.559 176.094 -0.210 0.000 1.065 34 V CA -0.055 62.073 62.300 -0.287 0.000 0.894 34 V CB 2.044 33.471 31.823 -0.661 0.000 1.004 34 V HN 1.151 nan 8.190 nan 0.000 0.424 35 T N 3.360 117.855 114.554 -0.100 0.000 2.912 35 T HA 0.692 5.023 4.350 -0.031 0.000 0.288 35 T C -0.236 174.477 174.700 0.021 0.000 1.030 35 T CA -0.648 61.426 62.100 -0.044 0.000 1.020 35 T CB 1.362 70.215 68.868 -0.026 0.000 1.056 35 T HN 0.864 nan 8.240 nan 0.000 0.480 36 c N 1.647 120.269 118.600 0.037 0.000 2.358 36 c HA 0.764 5.315 4.570 -0.031 0.000 0.342 36 c C 0.176 174.305 174.090 0.065 0.000 1.234 36 c CA -0.808 55.576 56.329 0.092 0.000 1.969 36 c CB 0.586 43.148 42.510 0.087 0.000 2.346 36 c HN 0.779 nan 8.230 nan 0.000 0.525 37 V N 3.338 123.297 119.914 0.076 0.000 2.350 37 V HA 0.319 4.420 4.120 -0.031 0.000 0.285 37 V C -0.369 175.747 176.094 0.037 0.000 1.014 37 V CA -0.406 61.914 62.300 0.034 0.000 0.831 37 V CB 1.039 32.865 31.823 0.006 0.000 1.000 37 V HN 0.915 nan 8.190 nan 0.000 0.433 38 K N 5.587 126.004 120.400 0.029 0.000 2.263 38 K HA 0.580 4.881 4.320 -0.031 0.000 0.272 38 K C -0.062 176.546 176.600 0.014 0.000 1.033 38 K CA -0.708 55.597 56.287 0.030 0.000 0.884 38 K CB 1.568 34.087 32.500 0.033 0.000 1.107 38 K HN 0.401 nan 8.250 nan 0.000 0.460 39 K N 0.820 121.225 120.400 0.008 0.000 2.443 39 K HA 0.315 4.616 4.320 -0.031 0.000 0.284 39 K C 0.952 177.560 176.600 0.013 0.000 0.992 39 K CA -0.335 55.952 56.287 -0.001 0.000 1.292 39 K CB 0.284 32.768 32.500 -0.026 0.000 1.705 39 K HN 0.677 nan 8.250 nan 0.000 0.778 40 T N -3.109 111.455 114.554 0.016 0.000 2.993 40 T HA 0.123 4.455 4.350 -0.031 0.000 0.260 40 T C 0.426 175.152 174.700 0.043 0.000 0.939 40 T CA -0.193 61.925 62.100 0.031 0.000 0.886 40 T CB 0.085 68.974 68.868 0.034 0.000 1.209 40 T HN 0.509 nan 8.240 nan 0.000 0.518 41 S N 0.078 115.806 115.700 0.047 0.000 2.570 41 S HA 0.531 4.982 4.470 -0.031 0.000 0.270 41 S C 0.372 174.995 174.600 0.039 0.000 1.149 41 S CA -1.161 57.082 58.200 0.071 0.000 0.837 41 S CB 1.952 65.237 63.200 0.141 0.000 1.124 41 S HN 0.120 nan 8.310 nan 0.000 0.465 42 R N 0.063 120.590 120.500 0.046 0.000 2.115 42 R HA 0.005 4.327 4.340 -0.031 0.000 0.230 42 R C 1.701 177.963 176.300 -0.063 0.000 1.111 42 R CA 1.211 57.305 56.100 -0.010 0.000 0.976 42 R CB -0.701 29.599 30.300 0.000 0.000 0.870 42 R HN 0.641 nan 8.270 nan 0.000 0.445 43 F N 2.992 122.896 119.950 -0.077 0.000 2.095 43 F HA -0.197 4.311 4.527 -0.030 0.000 0.298 43 F C 2.206 177.927 175.800 -0.132 0.000 1.104 43 F CA 1.486 59.420 58.000 -0.110 0.000 1.232 43 F CB -0.185 38.778 39.000 -0.062 0.000 0.987 43 F HN -0.033 nan 8.300 nan 0.000 0.475 44 E N -0.172 119.852 120.200 -0.293 0.000 2.035 44 E HA -0.314 4.017 4.350 -0.031 0.000 0.204 44 E C 2.406 178.810 176.600 -0.327 0.000 1.025 44 E CA 2.160 58.392 56.400 -0.279 0.000 0.835 44 E CB -0.975 28.680 29.700 -0.075 0.000 0.764 44 E HN 0.475 nan 8.360 nan 0.000 0.457 45 c N 0.547 119.008 118.600 -0.231 0.000 2.391 45 c HA -0.189 4.362 4.570 -0.031 0.000 0.276 45 c C 2.706 176.618 174.090 -0.296 0.000 1.217 45 c CA 0.510 56.708 56.329 -0.219 0.000 1.766 45 c CB -1.118 41.293 42.510 -0.165 0.000 2.046 45 c HN 0.379 nan 8.230 nan 0.000 0.475 46 I N 1.042 121.372 120.570 -0.400 0.000 2.068 46 I HA -0.383 3.769 4.170 -0.031 0.000 0.238 46 I C 2.723 178.541 176.117 -0.499 0.000 1.046 46 I CA 2.287 63.296 61.300 -0.484 0.000 1.306 46 I CB -0.677 36.945 38.000 -0.629 0.000 1.023 46 I HN 0.499 nan 8.210 nan 0.000 0.399 47 Q N 0.832 120.259 119.800 -0.621 0.000 2.096 47 Q HA -0.210 4.112 4.340 -0.031 0.000 0.204 47 Q C 2.371 178.254 176.000 -0.196 0.000 0.982 47 Q CA 1.749 57.328 55.803 -0.373 0.000 0.850 47 Q CB -0.608 27.927 28.738 -0.338 0.000 0.901 47 Q HN 0.602 nan 8.270 nan 0.000 0.422 48 A N 1.949 124.653 122.820 -0.194 0.000 1.851 48 A HA -0.193 4.109 4.320 -0.031 0.000 0.216 48 A C 2.221 179.736 177.584 -0.115 0.000 1.195 48 A CA 1.547 53.508 52.037 -0.127 0.000 0.622 48 A CB -0.853 18.074 19.000 -0.121 0.000 0.831 48 A HN 0.359 nan 8.150 nan 0.000 0.444 49 I N 0.759 121.242 120.570 -0.144 0.000 2.145 49 I HA -0.307 3.845 4.170 -0.031 0.000 0.244 49 I C 2.802 178.865 176.117 -0.090 0.000 1.075 49 I CA 2.084 63.306 61.300 -0.129 0.000 1.332 49 I CB -0.897 37.006 38.000 -0.163 0.000 1.033 49 I HN 0.565 nan 8.210 nan 0.000 0.410 50 S N 0.193 115.844 115.700 -0.083 0.000 2.469 50 S HA -0.113 4.338 4.470 -0.031 0.000 0.238 50 S C 1.353 175.952 174.600 -0.002 0.000 0.998 50 S CA 1.359 59.549 58.200 -0.016 0.000 0.957 50 S CB -0.703 62.539 63.200 0.071 0.000 0.764 50 S HN 0.619 nan 8.310 nan 0.000 0.514 51 T N -2.629 111.912 114.554 -0.022 0.000 3.380 51 T HA 0.533 4.864 4.350 -0.031 0.000 0.289 51 T C -0.040 174.644 174.700 -0.026 0.000 1.012 51 T CA -0.048 62.042 62.100 -0.015 0.000 0.944 51 T CB -0.146 68.719 68.868 -0.007 0.000 1.172 51 T HN 0.284 nan 8.240 nan 0.000 0.502 52 E N 0.305 120.485 120.200 -0.033 0.000 3.496 52 E HA -0.212 4.120 4.350 -0.031 0.000 0.300 52 E C 0.856 177.435 176.600 -0.036 0.000 0.877 52 E CA 1.100 57.480 56.400 -0.033 0.000 1.050 52 E CB -1.257 28.429 29.700 -0.024 0.000 1.532 52 E HN 0.646 nan 8.360 nan 0.000 0.447 53 K N -0.682 119.691 120.400 -0.044 0.000 2.305 53 K HA 0.336 4.637 4.320 -0.031 0.000 0.199 53 K C 0.499 177.070 176.600 -0.049 0.000 1.047 53 K CA 0.915 57.177 56.287 -0.042 0.000 0.976 53 K CB 0.722 33.197 32.500 -0.043 0.000 0.765 53 K HN 0.212 nan 8.250 nan 0.000 0.474 54 A N -0.050 122.730 122.820 -0.067 0.000 2.593 54 A HA 0.376 4.677 4.320 -0.031 0.000 0.290 54 A C -0.872 176.655 177.584 -0.096 0.000 1.126 54 A CA -0.771 51.219 52.037 -0.078 0.000 0.695 54 A CB 1.178 20.116 19.000 -0.103 0.000 1.290 54 A HN -0.023 nan 8.150 nan 0.000 0.414 55 D N -0.576 119.757 120.400 -0.112 0.000 2.514 55 D HA 0.387 5.008 4.640 -0.031 0.000 0.249 55 D C 0.550 176.722 176.300 -0.213 0.000 1.036 55 D CA 1.288 55.215 54.000 -0.121 0.000 0.911 55 D CB 1.002 41.765 40.800 -0.062 0.000 1.145 55 D HN 0.740 nan 8.370 nan 0.000 0.495 56 A N 0.722 123.309 122.820 -0.389 0.000 2.498 56 A HA 0.666 4.967 4.320 -0.031 0.000 0.298 56 A C -1.307 175.650 177.584 -1.045 0.000 1.075 56 A CA -0.589 51.036 52.037 -0.687 0.000 0.714 56 A CB 2.701 21.182 19.000 -0.864 0.000 1.299 56 A HN -0.051 nan 8.150 nan 0.000 0.407 57 V N 0.593 120.039 119.914 -0.781 0.000 2.950 57 V HA 0.609 4.711 4.120 -0.031 0.000 0.295 57 V C -0.312 175.654 176.094 -0.213 0.000 1.297 57 V CA 0.306 62.250 62.300 -0.594 0.000 0.962 57 V CB 2.265 33.872 31.823 -0.360 0.000 1.081 57 V HN 1.598 nan 8.190 nan 0.000 0.432 58 T N 6.926 121.476 114.554 -0.007 0.000 2.817 58 T HA 0.742 5.073 4.350 -0.031 0.000 0.293 58 T C -0.619 174.085 174.700 0.007 0.000 0.964 58 T CA -0.059 62.082 62.100 0.069 0.000 1.085 58 T CB 0.334 69.317 68.868 0.191 0.000 0.921 58 T HN 0.587 nan 8.240 nan 0.000 0.502 59 L N 3.717 124.936 121.223 -0.007 0.000 2.283 59 L HA 0.584 4.905 4.340 -0.031 0.000 0.259 59 L C 0.395 177.181 176.870 -0.140 0.000 1.027 59 L CA -1.425 53.371 54.840 -0.073 0.000 0.828 59 L CB 1.717 43.752 42.059 -0.040 0.000 1.380 59 L HN 0.738 nan 8.230 nan 0.000 0.425 60 D N 0.085 120.341 120.400 -0.240 0.000 2.354 60 D HA 0.055 4.676 4.640 -0.031 0.000 0.247 60 D C 0.935 177.292 176.300 0.096 0.000 1.138 60 D CA -0.187 53.691 54.000 -0.204 0.000 0.958 60 D CB 1.612 42.333 40.800 -0.132 0.000 1.144 60 D HN 0.639 nan 8.370 nan 0.000 0.458 61 G N -0.190 108.731 108.800 0.201 0.000 2.471 61 G HA2 -0.139 3.803 3.960 -0.031 0.000 0.219 61 G HA3 -0.139 3.803 3.960 -0.031 0.000 0.219 61 G C 1.404 176.480 174.900 0.293 0.000 1.125 61 G CA 0.719 45.903 45.100 0.141 0.000 0.775 61 G HN 0.630 nan 8.290 nan 0.000 0.548 62 G N 0.837 109.830 108.800 0.322 0.000 2.402 62 G HA2 -0.098 3.844 3.960 -0.031 0.000 0.216 62 G HA3 -0.098 3.844 3.960 -0.031 0.000 0.216 62 G C 1.690 176.757 174.900 0.278 0.000 1.162 62 G CA 0.556 45.836 45.100 0.300 0.000 0.777 62 G HN 0.430 nan 8.290 nan 0.000 0.539 63 L N 0.174 121.514 121.223 0.195 0.000 2.375 63 L HA 0.098 4.419 4.340 -0.031 0.000 0.215 63 L C 2.797 179.749 176.870 0.137 0.000 1.108 63 L CA -0.166 54.766 54.840 0.153 0.000 0.830 63 L CB 0.004 42.112 42.059 0.082 0.000 0.959 63 L HN 0.042 nan 8.230 nan 0.000 0.457 64 V N -0.482 119.522 119.914 0.150 0.000 2.343 64 V HA -0.334 3.767 4.120 -0.031 0.000 0.247 64 V C 2.274 178.476 176.094 0.180 0.000 1.051 64 V CA 1.967 64.342 62.300 0.125 0.000 1.036 64 V CB -0.544 31.360 31.823 0.135 0.000 0.654 64 V HN 0.466 nan 8.190 nan 0.000 0.451 65 Y N 1.429 121.799 120.300 0.117 0.000 2.097 65 Y HA -0.257 4.274 4.550 -0.032 0.000 0.282 65 Y C 2.381 178.351 175.900 0.117 0.000 1.152 65 Y CA 2.112 60.289 58.100 0.127 0.000 1.136 65 Y CB -0.614 37.946 38.460 0.166 0.000 0.975 65 Y HN 0.296 nan 8.280 nan 0.000 0.498 66 D N 0.013 120.509 120.400 0.160 0.000 2.218 66 D HA -0.111 4.511 4.640 -0.031 0.000 0.204 66 D C 2.106 178.450 176.300 0.072 0.000 0.976 66 D CA 1.260 55.288 54.000 0.046 0.000 0.853 66 D CB -0.230 40.695 40.800 0.208 0.000 0.939 66 D HN 0.523 nan 8.370 nan 0.000 0.481 67 A N 0.313 123.164 122.820 0.052 0.000 2.016 67 A HA 0.113 4.414 4.320 -0.031 0.000 0.217 67 A C 2.151 179.760 177.584 0.042 0.000 1.162 67 A CA 1.322 53.374 52.037 0.025 0.000 0.662 67 A CB -0.257 18.721 19.000 -0.037 0.000 0.812 67 A HN 0.246 nan 8.150 nan 0.000 0.450 68 G N -1.047 107.748 108.800 -0.008 0.000 3.141 68 G HA2 0.368 4.309 3.960 -0.031 0.000 0.218 68 G HA3 0.368 4.309 3.960 -0.031 0.000 0.218 68 G C 0.529 175.388 174.900 -0.069 0.000 1.170 68 G CA -0.240 44.843 45.100 -0.027 0.000 0.769 68 G HN 0.347 nan 8.290 nan 0.000 0.546 69 L N -0.482 120.682 121.223 -0.097 0.000 2.488 69 L HA 0.231 4.553 4.340 -0.031 0.000 0.249 69 L C 1.648 178.454 176.870 -0.107 0.000 1.151 69 L CA -0.385 54.359 54.840 -0.159 0.000 0.806 69 L CB 0.956 42.893 42.059 -0.203 0.000 1.261 69 L HN 0.092 nan 8.230 nan 0.000 0.484 70 D N 0.289 120.608 120.400 -0.135 0.000 2.205 70 D HA -0.193 4.429 4.640 -0.031 0.000 0.190 70 D C -0.988 175.181 176.300 -0.218 0.000 1.002 70 D CA 2.168 56.081 54.000 -0.146 0.000 0.848 70 D CB -0.554 40.180 40.800 -0.110 0.000 0.975 70 D HN 0.390 nan 8.370 nan 0.000 0.449 71 P HA -0.107 nan 4.420 nan 0.000 0.218 71 P C 0.576 177.579 177.300 -0.495 0.000 1.148 71 P CA 1.329 64.078 63.100 -0.584 0.000 0.822 71 P CB -0.046 31.088 31.700 -0.943 0.000 0.784 72 Y N -1.175 119.095 120.300 -0.051 0.000 2.464 72 Y HA 0.246 4.778 4.550 -0.030 0.000 0.288 72 Y C 0.885 176.746 175.900 -0.066 0.000 1.133 72 Y CA -0.352 57.710 58.100 -0.063 0.000 1.223 72 Y CB -0.876 37.539 38.460 -0.075 0.000 1.187 72 Y HN -0.296 nan 8.280 nan 0.000 0.539 73 K N 1.453 121.892 120.400 0.066 0.000 3.451 73 K HA -0.189 4.112 4.320 -0.031 0.000 0.273 73 K C -0.824 175.777 176.600 0.003 0.000 0.944 73 K CA 0.363 56.657 56.287 0.010 0.000 0.734 73 K CB -2.296 30.192 32.500 -0.021 0.000 1.437 73 K HN 0.352 nan 8.250 nan 0.000 0.454 74 L N 0.118 121.342 121.223 0.001 0.000 2.448 74 L HA 0.542 4.864 4.340 -0.031 0.000 0.258 74 L C 0.785 177.630 176.870 -0.042 0.000 1.104 74 L CA -0.977 53.844 54.840 -0.031 0.000 0.800 74 L CB 0.660 42.685 42.059 -0.057 0.000 1.241 74 L HN 0.282 nan 8.230 nan 0.000 0.472 75 R N -0.744 119.720 120.500 -0.061 0.000 2.795 75 R HA 0.603 4.925 4.340 -0.031 0.000 0.275 75 R C -2.933 173.298 176.300 -0.115 0.000 0.981 75 R CA -2.094 53.960 56.100 -0.076 0.000 0.917 75 R CB 1.083 31.344 30.300 -0.065 0.000 1.202 75 R HN 0.144 nan 8.270 nan 0.000 0.469 76 P HA 0.091 nan 4.420 nan 0.000 0.265 76 P C -0.263 176.901 177.300 -0.227 0.000 1.222 76 P CA 0.309 63.230 63.100 -0.298 0.000 0.767 76 P CB 0.417 31.747 31.700 -0.617 0.000 0.801 77 I N 2.247 122.727 120.570 -0.150 0.000 3.790 77 I HA 0.195 4.347 4.170 -0.031 0.000 0.305 77 I C 0.761 176.806 176.117 -0.121 0.000 1.253 77 I CA 0.429 61.660 61.300 -0.115 0.000 1.355 77 I CB 0.395 38.379 38.000 -0.027 0.000 1.137 77 I HN 0.254 nan 8.210 nan 0.000 0.435 78 A N 0.926 123.722 122.820 -0.040 0.000 2.459 78 A HA 0.816 5.117 4.320 -0.031 0.000 0.296 78 A C -0.770 176.874 177.584 0.101 0.000 1.039 78 A CA -0.475 51.583 52.037 0.035 0.000 0.698 78 A CB 0.925 20.081 19.000 0.259 0.000 1.261 78 A HN 0.062 nan 8.150 nan 0.000 0.405 79 A N 1.852 124.755 122.820 0.139 0.000 2.327 79 A HA 0.629 4.931 4.320 -0.031 0.000 0.283 79 A C 0.186 177.857 177.584 0.144 0.000 1.127 79 A CA -0.352 51.811 52.037 0.210 0.000 0.810 79 A CB 0.120 19.299 19.000 0.299 0.000 1.066 79 A HN 0.824 nan 8.150 nan 0.000 0.492 80 E N 0.200 120.455 120.200 0.092 0.000 2.392 80 E HA 0.393 4.725 4.350 -0.031 0.000 0.259 80 E C -0.865 175.473 176.600 -0.437 0.000 1.108 80 E CA -0.291 56.049 56.400 -0.100 0.000 0.916 80 E CB 1.074 30.771 29.700 -0.005 0.000 0.989 80 E HN 0.359 nan 8.360 nan 0.000 0.432 81 V N 2.809 122.414 119.914 -0.516 0.000 2.495 81 V HA 0.294 4.396 4.120 -0.031 0.000 0.298 81 V C -0.977 174.771 176.094 -0.578 0.000 1.031 81 V CA -0.632 61.365 62.300 -0.505 0.000 0.871 81 V CB 0.357 32.040 31.823 -0.234 0.000 0.988 81 V HN 0.523 nan 8.190 nan 0.000 0.432 82 Y N 1.725 121.973 120.300 -0.085 0.000 2.772 82 Y HA 0.926 5.460 4.550 -0.027 0.000 0.324 82 Y C 0.974 176.817 175.900 -0.095 0.000 1.169 82 Y CA -0.287 57.755 58.100 -0.096 0.000 1.198 82 Y CB 0.719 39.130 38.460 -0.081 0.000 1.402 82 Y HN 0.962 nan 8.280 nan 0.000 0.577 83 G N -0.210 108.639 108.800 0.081 0.000 2.568 83 G HA2 -0.059 3.882 3.960 -0.031 0.000 0.222 83 G HA3 -0.059 3.882 3.960 -0.031 0.000 0.222 83 G C -0.382 174.510 174.900 -0.013 0.000 1.321 83 G CA -0.320 44.781 45.100 0.002 0.000 0.893 83 G HN 0.870 nan 8.290 nan 0.000 0.569 84 T N -1.165 113.373 114.554 -0.026 0.000 2.937 84 T HA 0.595 4.927 4.350 -0.031 0.000 0.283 84 T C 1.591 176.275 174.700 -0.028 0.000 1.012 84 T CA 0.894 62.979 62.100 -0.025 0.000 0.997 84 T CB 1.436 70.290 68.868 -0.024 0.000 1.136 84 T HN 0.632 nan 8.240 nan 0.000 0.551 85 E N 1.140 121.326 120.200 -0.023 0.000 2.077 85 E HA -0.101 4.230 4.350 -0.031 0.000 0.193 85 E C 1.971 178.558 176.600 -0.022 0.000 0.989 85 E CA 1.483 57.870 56.400 -0.022 0.000 0.800 85 E CB -0.286 29.405 29.700 -0.015 0.000 0.746 85 E HN 0.572 nan 8.360 nan 0.000 0.452 86 N N 0.097 118.784 118.700 -0.021 0.000 2.036 86 N HA -0.131 4.590 4.740 -0.031 0.000 0.195 86 N C 0.268 175.762 175.510 -0.028 0.000 1.037 86 N CA 1.131 54.168 53.050 -0.021 0.000 0.855 86 N CB 0.147 38.622 38.487 -0.021 0.000 1.033 86 N HN -0.006 nan 8.380 nan 0.000 0.423 87 Q N 0.082 119.861 119.800 -0.035 0.000 2.798 87 Q HA 0.335 4.656 4.340 -0.031 0.000 0.250 87 Q C -2.657 173.311 176.000 -0.053 0.000 1.006 87 Q CA -1.601 54.175 55.803 -0.046 0.000 0.759 87 Q CB 1.721 30.427 28.738 -0.054 0.000 1.201 87 Q HN 0.260 nan 8.270 nan 0.000 0.486 88 P HA 0.270 nan 4.420 nan 0.000 0.285 88 P C -0.738 176.504 177.300 -0.096 0.000 1.259 88 P CA -0.333 62.726 63.100 -0.068 0.000 0.794 88 P CB 1.467 33.128 31.700 -0.065 0.000 0.940 89 Q N 0.603 120.335 119.800 -0.113 0.000 2.397 89 Q HA 0.400 4.721 4.340 -0.031 0.000 0.275 89 Q C 0.476 176.361 176.000 -0.192 0.000 1.090 89 Q CA -0.516 55.181 55.803 -0.176 0.000 0.809 89 Q CB 1.886 30.492 28.738 -0.219 0.000 1.362 89 Q HN 0.495 nan 8.270 nan 0.000 0.431 90 T N -1.244 113.173 114.554 -0.227 0.000 3.060 90 T HA 0.172 4.503 4.350 -0.031 0.000 0.249 90 T C 0.055 174.712 174.700 -0.072 0.000 1.079 90 T CA 0.898 62.899 62.100 -0.165 0.000 1.013 90 T CB -0.140 68.662 68.868 -0.109 0.000 0.975 90 T HN 0.810 nan 8.240 nan 0.000 0.518 91 H N -1.159 117.827 119.070 -0.139 0.000 2.865 91 H HA 0.574 5.111 4.556 -0.032 0.000 0.265 91 H C -1.544 173.658 175.328 -0.210 0.000 1.477 91 H CA -1.702 54.211 56.048 -0.224 0.000 1.157 91 H CB 0.225 29.746 29.762 -0.402 0.000 1.858 91 H HN 0.231 nan 8.280 nan 0.000 0.594 92 Y N -2.328 117.901 120.300 -0.118 0.000 2.677 92 Y HA 0.561 5.090 4.550 -0.034 0.000 0.334 92 Y C -2.188 173.464 175.900 -0.414 0.000 1.196 92 Y CA -1.864 56.072 58.100 -0.274 0.000 1.059 92 Y CB 0.417 38.750 38.460 -0.213 0.000 1.315 92 Y HN 0.688 nan 8.280 nan 0.000 0.455 93 Y N 1.885 122.262 120.300 0.129 0.000 2.365 93 Y HA 0.647 5.178 4.550 -0.031 0.000 0.340 93 Y C 0.671 176.699 175.900 0.214 0.000 1.016 93 Y CA -0.327 57.789 58.100 0.025 0.000 1.196 93 Y CB 1.002 39.468 38.460 0.010 0.000 1.167 93 Y HN 0.860 nan 8.280 nan 0.000 0.509 94 A N 3.863 126.871 122.820 0.313 0.000 2.450 94 A HA 0.575 4.877 4.320 -0.031 0.000 0.255 94 A C -0.444 177.348 177.584 0.347 0.000 1.096 94 A CA -0.300 51.958 52.037 0.369 0.000 0.778 94 A CB 0.062 19.254 19.000 0.320 0.000 1.031 94 A HN 0.587 nan 8.150 nan 0.000 0.494 95 V N 1.009 121.116 119.914 0.323 0.000 2.962 95 V HA 0.745 4.846 4.120 -0.031 0.000 0.313 95 V C 0.114 176.375 176.094 0.279 0.000 1.099 95 V CA -0.232 62.243 62.300 0.291 0.000 0.971 95 V CB 2.183 34.145 31.823 0.232 0.000 1.028 95 V HN 1.260 nan 8.190 nan 0.000 0.430 96 A N 4.422 127.385 122.820 0.238 0.000 2.323 96 A HA 0.831 5.132 4.320 -0.031 0.000 0.305 96 A C -0.622 176.990 177.584 0.047 0.000 1.275 96 A CA -0.408 51.711 52.037 0.137 0.000 0.804 96 A CB 0.194 19.331 19.000 0.230 0.000 1.152 96 A HN 0.676 nan 8.150 nan 0.000 0.487 97 I N 0.992 121.557 120.570 -0.008 0.000 2.924 97 I HA 0.856 5.007 4.170 -0.031 0.000 0.316 97 I C 0.488 176.656 176.117 0.084 0.000 1.014 97 I CA -0.767 60.566 61.300 0.056 0.000 1.106 97 I CB 1.912 39.953 38.000 0.068 0.000 1.311 97 I HN 0.682 nan 8.210 nan 0.000 0.502 98 A N 2.318 125.242 122.820 0.174 0.000 2.597 98 A HA 0.504 4.805 4.320 -0.031 0.000 0.292 98 A C -1.270 176.410 177.584 0.161 0.000 1.057 98 A CA -0.841 51.306 52.037 0.183 0.000 0.674 98 A CB 1.545 20.589 19.000 0.073 0.000 1.278 98 A HN 0.516 nan 8.150 nan 0.000 0.416 99 K N 1.578 122.008 120.400 0.049 0.000 2.350 99 K HA 0.122 4.423 4.320 -0.031 0.000 0.279 99 K C 0.101 176.586 176.600 -0.191 0.000 1.027 99 K CA -0.172 56.030 56.287 -0.141 0.000 0.969 99 K CB 0.891 33.286 32.500 -0.176 0.000 0.954 99 K HN 0.676 nan 8.250 nan 0.000 0.474 100 K N 1.460 121.717 120.400 -0.239 0.000 2.453 100 K HA 0.012 4.313 4.320 -0.031 0.000 0.280 100 K C 0.633 177.129 176.600 -0.173 0.000 1.045 100 K CA 1.072 57.253 56.287 -0.176 0.000 1.059 100 K CB 0.077 32.484 32.500 -0.154 0.000 0.901 100 K HN 0.845 nan 8.250 nan 0.000 0.475 101 G N 2.286 110.988 108.800 -0.163 0.000 2.650 101 G HA2 -0.250 3.691 3.960 -0.031 0.000 0.193 101 G HA3 -0.250 3.691 3.960 -0.031 0.000 0.193 101 G C -0.152 174.659 174.900 -0.148 0.000 2.403 101 G CA -0.134 44.887 45.100 -0.131 0.000 1.493 101 G HN 0.809 nan 8.290 nan 0.000 0.459 102 T N 1.667 116.121 114.554 -0.168 0.000 2.772 102 T HA 0.208 4.540 4.350 -0.031 0.000 0.268 102 T C 0.671 175.149 174.700 -0.369 0.000 1.025 102 T CA 1.440 63.398 62.100 -0.236 0.000 1.139 102 T CB 0.311 68.947 68.868 -0.387 0.000 1.053 102 T HN 1.320 nan 8.240 nan 0.000 0.483 103 N N 1.571 120.126 118.700 -0.241 0.000 2.351 103 N HA 0.163 4.884 4.740 -0.031 0.000 0.254 103 N C -0.317 175.129 175.510 -0.106 0.000 1.241 103 N CA -0.880 52.069 53.050 -0.168 0.000 0.883 103 N CB -0.196 38.247 38.487 -0.074 0.000 1.202 103 N HN 0.785 nan 8.380 nan 0.000 0.512 104 F N 0.191 120.137 119.950 -0.006 0.000 2.389 104 F HA 0.636 5.145 4.527 -0.030 0.000 0.337 104 F C 0.156 175.959 175.800 0.006 0.000 1.112 104 F CA -0.733 57.265 58.000 -0.005 0.000 1.192 104 F CB 0.816 39.813 39.000 -0.005 0.000 1.185 104 F HN -0.210 nan 8.300 nan 0.000 0.552 105 Q N 2.711 122.652 119.800 0.235 0.000 2.458 105 Q HA 0.356 4.678 4.340 -0.031 0.000 0.282 105 Q C 0.967 177.075 176.000 0.180 0.000 1.106 105 Q CA -0.910 54.981 55.803 0.147 0.000 0.814 105 Q CB 2.462 31.240 28.738 0.066 0.000 1.425 105 Q HN 0.926 nan 8.270 nan 0.000 0.437 106 L N 1.284 122.603 121.223 0.160 0.000 2.089 106 L HA -0.324 3.998 4.340 -0.031 0.000 0.213 106 L C 2.031 178.939 176.870 0.063 0.000 1.079 106 L CA 1.959 56.905 54.840 0.177 0.000 0.758 106 L CB -0.466 41.714 42.059 0.201 0.000 0.891 106 L HN 0.710 nan 8.230 nan 0.000 0.433 107 N N 0.345 118.995 118.700 -0.084 0.000 2.166 107 N HA -0.242 4.479 4.740 -0.031 0.000 0.186 107 N C 1.135 176.482 175.510 -0.272 0.000 1.019 107 N CA 1.227 54.047 53.050 -0.383 0.000 0.856 107 N CB -0.526 37.727 38.487 -0.390 0.000 0.993 107 N HN 0.447 nan 8.380 nan 0.000 0.426 108 Q N 0.068 119.818 119.800 -0.084 0.000 2.412 108 Q HA 0.331 4.653 4.340 -0.031 0.000 0.298 108 Q C 0.923 176.888 176.000 -0.058 0.000 0.938 108 Q CA -0.178 55.591 55.803 -0.056 0.000 0.968 108 Q CB 0.283 29.035 28.738 0.024 0.000 1.187 108 Q HN 0.347 nan 8.270 nan 0.000 0.421 109 L N -0.152 121.035 121.223 -0.061 0.000 2.477 109 L HA 0.037 4.359 4.340 -0.031 0.000 0.220 109 L C 0.892 177.517 176.870 -0.409 0.000 1.106 109 L CA 0.091 54.888 54.840 -0.072 0.000 0.851 109 L CB 0.300 42.515 42.059 0.259 0.000 0.994 109 L HN 0.392 nan 8.230 nan 0.000 0.462 110 Q N 0.770 120.213 119.800 -0.595 0.000 2.244 110 Q HA 0.211 4.533 4.340 -0.031 0.000 0.278 110 Q C 0.908 176.539 176.000 -0.615 0.000 1.093 110 Q CA 1.132 56.276 55.803 -1.098 0.000 0.916 110 Q CB 0.356 28.686 28.738 -0.681 0.000 1.159 110 Q HN 0.329 nan 8.270 nan 0.000 0.384 111 G N 3.302 111.723 108.800 -0.631 0.000 2.157 111 G HA2 -0.201 3.740 3.960 -0.031 0.000 0.239 111 G HA3 -0.201 3.740 3.960 -0.031 0.000 0.239 111 G C -0.115 174.698 174.900 -0.144 0.000 0.982 111 G CA 0.030 44.963 45.100 -0.278 0.000 0.650 111 G HN 0.519 nan 8.290 nan 0.000 0.527 112 L N -0.514 120.631 121.223 -0.131 0.000 2.567 112 L HA 0.503 4.824 4.340 -0.031 0.000 0.238 112 L C 0.905 177.805 176.870 0.050 0.000 1.168 112 L CA -0.337 54.441 54.840 -0.103 0.000 0.817 112 L CB 0.393 42.267 42.059 -0.308 0.000 1.409 112 L HN 0.050 nan 8.230 nan 0.000 0.502 113 K N 0.447 120.833 120.400 -0.024 0.000 2.183 113 K HA 0.301 4.603 4.320 -0.031 0.000 0.274 113 K C -0.476 176.062 176.600 -0.103 0.000 1.009 113 K CA -0.321 55.962 56.287 -0.007 0.000 0.888 113 K CB 1.583 34.075 32.500 -0.013 0.000 1.078 113 K HN 0.629 nan 8.250 nan 0.000 0.459 114 S N 0.709 116.288 115.700 -0.202 0.000 2.593 114 S HA 0.496 4.948 4.470 -0.031 0.000 0.297 114 S C -0.316 174.197 174.600 -0.144 0.000 1.112 114 S CA -0.906 57.099 58.200 -0.326 0.000 1.043 114 S CB 1.054 63.835 63.200 -0.698 0.000 1.054 114 S HN 0.572 nan 8.310 nan 0.000 0.516 115 c N 3.193 121.677 118.600 -0.194 0.000 2.319 115 c HA 0.652 5.203 4.570 -0.031 0.000 0.323 115 c C -0.011 174.024 174.090 -0.093 0.000 1.277 115 c CA -0.553 55.733 56.329 -0.072 0.000 1.517 115 c CB -0.639 41.790 42.510 -0.135 0.000 2.206 115 c HN 0.890 nan 8.230 nan 0.000 0.486 116 H N 0.836 119.953 119.070 0.078 0.000 2.731 116 H HA 0.287 4.826 4.556 -0.027 0.000 0.368 116 H C 0.872 176.214 175.328 0.023 0.000 1.168 116 H CA -0.109 56.022 56.048 0.139 0.000 1.181 116 H CB 2.024 31.908 29.762 0.203 0.000 1.743 116 H HN 0.661 nan 8.280 nan 0.000 0.547 117 T N -0.778 113.814 114.554 0.063 0.000 2.951 117 T HA 0.167 4.499 4.350 -0.031 0.000 0.268 117 T C 0.961 175.521 174.700 -0.234 0.000 1.073 117 T CA 0.596 62.572 62.100 -0.206 0.000 1.134 117 T CB 0.198 68.796 68.868 -0.449 0.000 0.884 117 T HN 0.783 nan 8.240 nan 0.000 0.479 118 G N 0.202 108.971 108.800 -0.052 0.000 2.405 118 G HA2 0.419 4.361 3.960 -0.031 0.000 0.303 118 G HA3 0.419 4.361 3.960 -0.031 0.000 0.303 118 G C -1.259 173.599 174.900 -0.069 0.000 1.644 118 G CA -0.932 44.163 45.100 -0.009 0.000 0.899 118 G HN 0.444 nan 8.290 nan 0.000 0.667 119 L N 1.377 122.466 121.223 -0.224 0.000 2.482 119 L HA 0.414 4.735 4.340 -0.031 0.000 0.273 119 L C 1.747 178.401 176.870 -0.360 0.000 1.228 119 L CA 1.627 56.095 54.840 -0.620 0.000 0.827 119 L CB 0.720 42.385 42.059 -0.657 0.000 1.099 119 L HN 2.050 nan 8.230 nan 0.000 0.494 120 G N 2.234 110.771 108.800 -0.438 0.000 2.205 120 G HA2 -0.384 3.557 3.960 -0.031 0.000 0.269 120 G HA3 -0.384 3.557 3.960 -0.031 0.000 0.269 120 G C 1.087 176.071 174.900 0.139 0.000 0.977 120 G CA 0.861 45.976 45.100 0.024 0.000 0.652 120 G HN 0.736 nan 8.290 nan 0.000 0.539 121 R N 0.589 121.166 120.500 0.128 0.000 2.513 121 R HA 0.166 4.487 4.340 -0.031 0.000 0.184 121 R C 2.471 178.857 176.300 0.142 0.000 0.867 121 R CA 2.286 58.452 56.100 0.110 0.000 0.885 121 R CB -0.996 29.357 30.300 0.088 0.000 0.651 121 R HN 0.589 nan 8.270 nan 0.000 0.489 122 S N -4.558 111.237 115.700 0.158 0.000 5.776 122 S HA 0.305 4.756 4.470 -0.031 0.000 0.126 122 S C 1.044 175.730 174.600 0.144 0.000 1.108 122 S CA 0.298 58.595 58.200 0.161 0.000 1.418 122 S CB -0.839 62.514 63.200 0.255 0.000 2.040 122 S HN 0.451 nan 8.310 nan 0.000 0.591 123 A N 0.911 123.880 122.820 0.247 0.000 1.897 123 A HA 0.298 4.599 4.320 -0.031 0.000 0.215 123 A C 1.969 179.706 177.584 0.256 0.000 1.181 123 A CA 2.085 54.316 52.037 0.324 0.000 0.620 123 A CB -1.217 18.107 19.000 0.540 0.000 0.821 123 A HN 0.676 nan 8.150 nan 0.000 0.443 124 G N -2.685 106.230 108.800 0.192 0.000 2.510 124 G HA2 -0.002 3.939 3.960 -0.031 0.000 0.212 124 G HA3 -0.002 3.939 3.960 -0.031 0.000 0.212 124 G C 1.417 176.528 174.900 0.351 0.000 1.151 124 G CA 0.778 46.016 45.100 0.229 0.000 0.817 124 G HN 0.591 nan 8.290 nan 0.000 0.534 125 W N 0.893 122.207 121.300 0.024 0.000 3.614 125 W HA 0.076 4.740 4.660 0.007 0.000 0.229 125 W C 1.931 178.388 176.519 -0.104 0.000 0.916 125 W CA 0.449 57.771 57.345 -0.039 0.000 2.162 125 W CB -0.083 29.323 29.460 -0.090 0.000 1.061 125 W HN 0.273 nan 8.180 nan 0.000 0.704 126 N N 1.090 119.806 118.700 0.025 0.000 2.084 126 N HA -0.195 4.526 4.740 -0.031 0.000 0.190 126 N C 1.657 177.036 175.510 -0.219 0.000 1.030 126 N CA 1.960 54.930 53.050 -0.134 0.000 0.849 126 N CB -0.350 38.108 38.487 -0.050 0.000 1.012 126 N HN -0.074 nan 8.380 nan 0.000 0.423 127 I N 0.948 121.429 120.570 -0.147 0.000 2.113 127 I HA -0.103 4.049 4.170 -0.031 0.000 0.238 127 I C -0.680 175.331 176.117 -0.177 0.000 1.070 127 I CA 1.312 62.522 61.300 -0.150 0.000 1.332 127 I CB -2.351 35.624 38.000 -0.042 0.000 1.044 127 I HN 0.061 nan 8.210 nan 0.000 0.402 128 P HA -0.054 nan 4.420 nan 0.000 0.220 128 P C 1.825 178.869 177.300 -0.426 0.000 1.152 128 P CA 1.071 63.948 63.100 -0.372 0.000 0.812 128 P CB -0.013 31.176 31.700 -0.851 0.000 0.792 129 M N -1.175 118.116 119.600 -0.515 0.000 2.558 129 M HA 0.209 4.670 4.480 -0.031 0.000 0.255 129 M C 1.730 177.720 176.300 -0.517 0.000 1.113 129 M CA 0.569 55.502 55.300 -0.612 0.000 1.097 129 M CB -1.478 30.518 32.600 -1.006 0.000 1.426 129 M HN -0.096 nan 8.290 nan 0.000 0.488 130 G N -1.477 107.088 108.800 -0.390 0.000 2.719 130 G HA2 0.073 4.014 3.960 -0.031 0.000 0.211 130 G HA3 0.073 4.014 3.960 -0.031 0.000 0.211 130 G C 1.470 176.240 174.900 -0.218 0.000 1.140 130 G CA -0.075 44.852 45.100 -0.289 0.000 0.790 130 G HN 0.354 nan 8.290 nan 0.000 0.529 131 L N 0.086 121.188 121.223 -0.201 0.000 2.095 131 L HA 0.181 4.502 4.340 -0.031 0.000 0.204 131 L C 2.447 179.236 176.870 -0.136 0.000 1.080 131 L CA 0.577 55.338 54.840 -0.131 0.000 0.759 131 L CB -0.173 41.847 42.059 -0.064 0.000 0.914 131 L HN 0.169 nan 8.230 nan 0.000 0.439 132 L N -0.574 120.550 121.223 -0.165 0.000 2.622 132 L HA -0.092 4.229 4.340 -0.031 0.000 0.233 132 L C 2.294 178.983 176.870 -0.300 0.000 1.156 132 L CA -0.120 54.637 54.840 -0.139 0.000 0.866 132 L CB -0.517 41.451 42.059 -0.151 0.000 0.980 132 L HN 0.196 nan 8.230 nan 0.000 0.448 133 R N 1.352 121.679 120.500 -0.288 0.000 2.246 133 R HA -0.230 4.091 4.340 -0.031 0.000 0.266 133 R C -0.734 175.414 176.300 -0.254 0.000 1.163 133 R CA 2.201 58.166 56.100 -0.226 0.000 0.992 133 R CB -1.782 28.439 30.300 -0.132 0.000 0.895 133 R HN 0.212 nan 8.270 nan 0.000 0.465 134 P HA -0.104 nan 4.420 nan 0.000 0.214 134 P C 1.034 178.085 177.300 -0.415 0.000 1.163 134 P CA 1.693 64.456 63.100 -0.563 0.000 0.883 134 P CB -0.230 30.890 31.700 -0.967 0.000 0.788 135 F N -1.899 118.009 119.950 -0.070 0.000 2.456 135 F HA 0.040 4.547 4.527 -0.032 0.000 0.298 135 F C 2.355 178.120 175.800 -0.059 0.000 1.104 135 F CA 0.168 58.163 58.000 -0.010 0.000 1.435 135 F CB -1.151 37.900 39.000 0.086 0.000 1.078 135 F HN -0.209 nan 8.300 nan 0.000 0.546 136 L N 0.236 121.366 121.223 -0.156 0.000 2.043 136 L HA -0.257 4.064 4.340 -0.031 0.000 0.212 136 L C 0.272 177.158 176.870 0.026 0.000 1.075 136 L CA 1.663 56.375 54.840 -0.214 0.000 0.752 136 L CB -0.417 41.470 42.059 -0.287 0.000 0.891 136 L HN 0.238 nan 8.230 nan 0.000 0.432 137 D N -1.969 118.474 120.400 0.071 0.000 2.823 137 D HA -0.180 4.441 4.640 -0.031 0.000 0.248 137 D C -1.092 175.319 176.300 0.185 0.000 1.076 137 D CA 0.541 54.605 54.000 0.106 0.000 0.760 137 D CB -1.321 39.546 40.800 0.110 0.000 1.065 137 D HN 0.403 nan 8.370 nan 0.000 0.432 138 W N 0.979 122.238 121.300 -0.068 0.000 2.756 138 W HA 0.381 5.024 4.660 -0.029 0.000 0.333 138 W C 1.222 177.706 176.519 -0.059 0.000 1.025 138 W CA -0.427 56.880 57.345 -0.063 0.000 1.246 138 W CB 0.791 30.195 29.460 -0.094 0.000 1.358 138 W HN -0.113 nan 8.180 nan 0.000 0.444 139 T N 3.411 117.736 114.554 -0.380 0.000 2.680 139 T HA 0.136 4.467 4.350 -0.031 0.000 0.268 139 T C 0.853 175.116 174.700 -0.729 0.000 1.033 139 T CA 2.460 64.296 62.100 -0.439 0.000 1.152 139 T CB -0.705 67.989 68.868 -0.290 0.000 0.859 139 T HN 1.039 nan 8.240 nan 0.000 0.452 140 G N -0.256 107.664 108.800 -1.466 0.000 2.343 140 G HA2 0.048 3.990 3.960 -0.031 0.000 0.465 140 G HA3 0.048 3.990 3.960 -0.031 0.000 0.465 140 G C -2.487 171.802 174.900 -1.018 0.000 1.282 140 G CA -0.525 43.677 45.100 -1.496 0.000 0.996 140 G HN -0.055 nan 8.290 nan 0.000 0.521 141 P HA -0.152 nan 4.420 nan 0.000 0.219 141 P C -0.737 176.625 177.300 0.104 0.000 1.159 141 P CA 3.397 66.482 63.100 -0.025 0.000 0.944 141 P CB -0.455 31.231 31.700 -0.023 0.000 0.792 142 P HA -0.130 nan 4.420 nan 0.000 0.221 142 P C 0.315 177.676 177.300 0.103 0.000 1.145 142 P CA 0.953 64.087 63.100 0.056 0.000 0.795 142 P CB -0.367 31.339 31.700 0.009 0.000 0.775 143 E N 2.651 122.924 120.200 0.122 0.000 2.265 143 E HA 0.112 4.444 4.350 -0.031 0.000 0.272 143 E C -1.929 174.921 176.600 0.416 0.000 1.067 143 E CA -2.536 54.008 56.400 0.240 0.000 0.900 143 E CB 0.222 30.034 29.700 0.187 0.000 1.017 143 E HN 0.118 nan 8.360 nan 0.000 0.431 144 P HA -0.150 nan 4.420 nan 0.000 0.256 144 P C 0.898 178.325 177.300 0.213 0.000 1.173 144 P CA 0.427 63.679 63.100 0.254 0.000 0.768 144 P CB 0.680 32.545 31.700 0.275 0.000 0.758 145 L N 3.961 125.241 121.223 0.095 0.000 2.034 145 L HA -0.307 4.015 4.340 -0.031 0.000 0.217 145 L C 2.140 178.818 176.870 -0.319 0.000 1.077 145 L CA 1.916 56.496 54.840 -0.433 0.000 0.769 145 L CB -0.390 41.397 42.059 -0.452 0.000 0.890 145 L HN 0.359 nan 8.230 nan 0.000 0.435 146 Q N -0.353 119.380 119.800 -0.112 0.000 2.522 146 Q HA -0.222 4.099 4.340 -0.031 0.000 0.216 146 Q C 1.797 177.556 176.000 -0.400 0.000 0.986 146 Q CA 1.589 57.248 55.803 -0.240 0.000 0.901 146 Q CB -0.059 28.335 28.738 -0.573 0.000 0.954 146 Q HN 0.568 nan 8.270 nan 0.000 0.502 147 K N -1.218 119.101 120.400 -0.136 0.000 2.348 147 K HA 0.188 4.489 4.320 -0.031 0.000 0.194 147 K C 1.676 178.317 176.600 0.067 0.000 1.052 147 K CA 0.823 57.139 56.287 0.048 0.000 1.004 147 K CB 0.194 32.882 32.500 0.313 0.000 0.873 147 K HN 0.070 nan 8.250 nan 0.000 0.523 148 A N 1.584 124.408 122.820 0.007 0.000 1.969 148 A HA -0.016 4.285 4.320 -0.031 0.000 0.218 148 A C 2.188 179.732 177.584 -0.066 0.000 1.169 148 A CA 1.328 53.353 52.037 -0.021 0.000 0.635 148 A CB -0.433 18.471 19.000 -0.159 0.000 0.810 148 A HN 0.110 nan 8.150 nan 0.000 0.445 149 V N -0.543 119.319 119.914 -0.087 0.000 2.535 149 V HA -0.092 4.009 4.120 -0.031 0.000 0.246 149 V C 2.979 179.214 176.094 0.236 0.000 1.045 149 V CA 1.300 63.633 62.300 0.055 0.000 1.058 149 V CB -0.900 30.960 31.823 0.062 0.000 0.689 149 V HN 0.588 nan 8.190 nan 0.000 0.461 150 A N 0.274 123.176 122.820 0.137 0.000 1.927 150 A HA -0.335 3.966 4.320 -0.031 0.000 0.220 150 A C 2.229 179.918 177.584 0.176 0.000 1.185 150 A CA 2.563 54.696 52.037 0.159 0.000 0.639 150 A CB -0.415 18.666 19.000 0.134 0.000 0.820 150 A HN 0.544 nan 8.150 nan 0.000 0.451 151 K N -2.124 118.365 120.400 0.148 0.000 2.137 151 K HA 0.144 4.446 4.320 -0.031 0.000 0.202 151 K C 1.639 178.309 176.600 0.116 0.000 1.052 151 K CA 0.977 57.340 56.287 0.127 0.000 0.961 151 K CB -0.241 32.330 32.500 0.118 0.000 0.741 151 K HN 0.502 nan 8.250 nan 0.000 0.452 152 F N 0.763 120.658 119.950 -0.092 0.000 2.039 152 F HA 0.034 4.542 4.527 -0.032 0.000 0.294 152 F C 0.307 175.932 175.800 -0.292 0.000 1.130 152 F CA 0.873 58.712 58.000 -0.268 0.000 1.189 152 F CB 0.012 38.753 39.000 -0.432 0.000 0.983 152 F HN -0.236 nan 8.300 nan 0.000 0.471 153 F N 0.652 120.692 119.950 0.149 0.000 2.410 153 F HA 0.197 4.705 4.527 -0.031 0.000 0.334 153 F C 1.685 177.488 175.800 0.006 0.000 1.134 153 F CA 0.105 58.114 58.000 0.015 0.000 1.227 153 F CB 0.299 39.395 39.000 0.160 0.000 1.194 153 F HN 0.056 nan 8.300 nan 0.000 0.571 154 S N 2.175 117.969 115.700 0.157 0.000 2.396 154 S HA 0.212 4.663 4.470 -0.031 0.000 0.204 154 S C 0.722 175.401 174.600 0.132 0.000 1.060 154 S CA 0.601 58.859 58.200 0.098 0.000 1.098 154 S CB -0.527 62.697 63.200 0.040 0.000 1.022 154 S HN 0.801 nan 8.310 nan 0.000 0.413 155 A N 0.413 123.298 122.820 0.110 0.000 2.299 155 A HA 0.789 5.090 4.320 -0.031 0.000 0.332 155 A C 0.103 177.753 177.584 0.110 0.000 1.131 155 A CA -0.116 51.986 52.037 0.109 0.000 0.844 155 A CB 1.367 20.412 19.000 0.075 0.000 1.251 155 A HN 1.353 nan 8.150 nan 0.000 0.486 156 S N -1.525 114.238 115.700 0.105 0.000 2.752 156 S HA 0.540 4.991 4.470 -0.031 0.000 0.284 156 S C -1.015 173.648 174.600 0.106 0.000 1.189 156 S CA -0.236 58.015 58.200 0.084 0.000 0.835 156 S CB 1.078 64.315 63.200 0.062 0.000 1.192 156 S HN 1.841 nan 8.310 nan 0.000 0.506 157 c N 2.571 121.254 118.600 0.138 0.000 2.521 157 c HA 0.723 5.275 4.570 -0.031 0.000 0.291 157 c C -0.902 173.285 174.090 0.161 0.000 1.074 157 c CA -0.230 56.185 56.329 0.144 0.000 1.495 157 c CB -1.208 41.419 42.510 0.194 0.000 1.862 157 c HN 0.659 nan 8.230 nan 0.000 0.418 158 V N 8.815 128.768 119.914 0.065 0.000 2.304 158 V HA 0.322 4.423 4.120 -0.031 0.000 0.269 158 V C -1.460 174.609 176.094 -0.041 0.000 1.036 158 V CA -1.205 61.074 62.300 -0.035 0.000 0.840 158 V CB 0.774 32.406 31.823 -0.319 0.000 1.036 158 V HN 0.594 nan 8.190 nan 0.000 0.466 159 P HA -0.175 nan 4.420 nan 0.000 0.219 159 P C 1.670 178.976 177.300 0.011 0.000 1.019 159 P CA 1.727 64.896 63.100 0.115 0.000 0.984 159 P CB -0.031 31.881 31.700 0.353 0.000 0.590 160 C N -2.220 117.094 119.300 0.023 0.000 2.404 160 C HA -0.157 4.284 4.460 -0.031 0.000 0.272 160 C C 1.818 176.739 174.990 -0.115 0.000 1.123 160 C CA -0.240 58.740 59.018 -0.064 0.000 1.867 160 C CB -2.347 25.355 27.740 -0.063 0.000 2.212 160 C HN 0.226 nan 8.230 nan 0.000 0.467 161 V N 2.250 122.051 119.914 -0.187 0.000 2.975 161 V HA -0.066 4.035 4.120 -0.031 0.000 0.300 161 V C 0.608 176.669 176.094 -0.055 0.000 1.186 161 V CA 0.985 63.176 62.300 -0.182 0.000 1.311 161 V CB 0.207 31.863 31.823 -0.279 0.000 0.917 161 V HN 0.465 nan 8.190 nan 0.000 0.512 162 D N 4.110 124.522 120.400 0.020 0.000 2.344 162 D HA 0.169 4.791 4.640 -0.031 0.000 0.253 162 D C 0.864 177.213 176.300 0.082 0.000 1.255 162 D CA 0.619 54.647 54.000 0.048 0.000 0.894 162 D CB 1.325 42.161 40.800 0.060 0.000 1.067 162 D HN 0.749 nan 8.370 nan 0.000 0.492 163 G N 3.185 112.007 108.800 0.037 0.000 3.124 163 G HA2 -0.135 3.806 3.960 -0.031 0.000 0.212 163 G HA3 -0.135 3.806 3.960 -0.031 0.000 0.212 163 G C 1.484 176.395 174.900 0.018 0.000 1.181 163 G CA 0.154 45.280 45.100 0.043 0.000 0.803 163 G HN 0.244 nan 8.290 nan 0.000 0.529 164 K N 0.915 121.312 120.400 -0.005 0.000 2.057 164 K HA 0.110 4.411 4.320 -0.031 0.000 0.209 164 K C 2.481 179.020 176.600 -0.102 0.000 1.028 164 K CA 0.690 56.951 56.287 -0.043 0.000 0.950 164 K CB -0.332 32.138 32.500 -0.049 0.000 0.784 164 K HN 0.232 nan 8.250 nan 0.000 0.448 165 E N -0.203 119.863 120.200 -0.224 0.000 2.038 165 E HA -0.180 4.151 4.350 -0.031 0.000 0.195 165 E C 0.039 176.400 176.600 -0.398 0.000 1.000 165 E CA 1.341 57.450 56.400 -0.486 0.000 0.803 165 E CB -0.190 28.820 29.700 -1.149 0.000 0.750 165 E HN 0.347 nan 8.360 nan 0.000 0.448 166 Y N 0.677 120.985 120.300 0.013 0.000 2.712 166 Y HA 0.250 4.774 4.550 -0.042 0.000 0.328 166 Y C -1.777 174.135 175.900 0.020 0.000 0.995 166 Y CA -2.439 55.676 58.100 0.025 0.000 1.283 166 Y CB 1.133 39.612 38.460 0.031 0.000 1.092 166 Y HN -0.029 nan 8.280 nan 0.000 0.519 167 P HA -0.074 nan 4.420 nan 0.000 0.235 167 P C 0.458 177.812 177.300 0.089 0.000 1.177 167 P CA 0.957 64.112 63.100 0.093 0.000 0.785 167 P CB 0.490 32.223 31.700 0.055 0.000 0.885 168 N N 0.800 119.567 118.700 0.111 0.000 2.354 168 N HA -0.036 4.686 4.740 -0.031 0.000 0.179 168 N C 1.812 177.387 175.510 0.109 0.000 1.021 168 N CA 0.576 53.689 53.050 0.104 0.000 0.887 168 N CB -0.918 37.637 38.487 0.114 0.000 0.974 168 N HN 0.176 nan 8.380 nan 0.000 0.437 169 L N 0.419 121.712 121.223 0.116 0.000 2.275 169 L HA -0.041 4.280 4.340 -0.031 0.000 0.215 169 L C 1.592 178.495 176.870 0.055 0.000 1.119 169 L CA 0.675 55.564 54.840 0.082 0.000 0.790 169 L CB -0.284 41.792 42.059 0.028 0.000 0.919 169 L HN 0.298 nan 8.230 nan 0.000 0.443 170 c N -1.164 117.472 118.600 0.059 0.000 2.906 170 c HA 0.030 4.582 4.570 -0.031 0.000 0.274 170 c C 2.498 176.617 174.090 0.048 0.000 1.257 170 c CA -0.360 55.995 56.329 0.043 0.000 1.695 170 c CB -0.273 42.254 42.510 0.028 0.000 1.958 170 c HN 0.496 nan 8.230 nan 0.000 0.619 171 Q N 0.537 120.374 119.800 0.061 0.000 2.226 171 Q HA -0.057 4.264 4.340 -0.031 0.000 0.204 171 Q C 1.295 177.327 176.000 0.054 0.000 0.975 171 Q CA 1.254 57.090 55.803 0.054 0.000 0.866 171 Q CB 0.116 28.892 28.738 0.063 0.000 0.915 171 Q HN 0.667 nan 8.270 nan 0.000 0.440 172 L N -0.435 120.834 121.223 0.076 0.000 2.808 172 L HA 0.209 4.530 4.340 -0.031 0.000 0.246 172 L C 0.334 177.278 176.870 0.122 0.000 1.153 172 L CA -0.732 54.166 54.840 0.096 0.000 0.956 172 L CB 0.651 42.780 42.059 0.116 0.000 1.270 172 L HN 0.132 nan 8.230 nan 0.000 0.528 173 c N 0.519 119.163 118.600 0.074 0.000 2.758 173 c HA 0.322 4.873 4.570 -0.031 0.000 0.371 173 c C 1.683 175.652 174.090 -0.202 0.000 1.342 173 c CA 0.072 56.407 56.329 0.010 0.000 2.257 173 c CB 0.565 43.091 42.510 0.026 0.000 2.621 173 c HN 0.567 nan 8.230 nan 0.000 0.730 174 A N 0.127 122.691 122.820 -0.426 0.000 2.545 174 A HA 0.512 4.813 4.320 -0.031 0.000 0.263 174 A C 0.878 178.306 177.584 -0.260 0.000 1.202 174 A CA 0.452 52.212 52.037 -0.462 0.000 0.959 174 A CB -0.472 17.968 19.000 -0.933 0.000 1.124 174 A HN 1.085 nan 8.150 nan 0.000 0.543 175 G N 0.447 109.145 108.800 -0.170 0.000 2.594 175 G HA2 0.429 4.370 3.960 -0.031 0.000 0.243 175 G HA3 0.429 4.370 3.960 -0.031 0.000 0.243 175 G C 0.275 175.125 174.900 -0.083 0.000 1.229 175 G CA 0.734 45.771 45.100 -0.105 0.000 0.843 175 G HN 0.508 nan 8.290 nan 0.000 0.578 176 T N -1.648 112.867 114.554 -0.065 0.000 2.940 176 T HA 0.762 5.093 4.350 -0.031 0.000 0.288 176 T C 1.066 175.741 174.700 -0.042 0.000 1.045 176 T CA 0.380 62.449 62.100 -0.051 0.000 1.018 176 T CB 1.360 70.202 68.868 -0.043 0.000 1.151 176 T HN 2.175 nan 8.240 nan 0.000 0.529 177 G N 1.583 110.362 108.800 -0.035 0.000 2.596 177 G HA2 -0.277 3.665 3.960 -0.031 0.000 0.295 177 G HA3 -0.277 3.665 3.960 -0.031 0.000 0.295 177 G C 0.357 175.237 174.900 -0.034 0.000 1.240 177 G CA 0.426 45.507 45.100 -0.031 0.000 0.985 177 G HN 1.287 nan 8.290 nan 0.000 0.555 178 E N 1.739 121.919 120.200 -0.034 0.000 2.320 178 E HA 0.218 4.550 4.350 -0.031 0.000 0.234 178 E C 0.563 177.135 176.600 -0.046 0.000 1.290 178 E CA 0.142 56.520 56.400 -0.037 0.000 1.545 178 E CB -0.134 29.546 29.700 -0.034 0.000 1.379 178 E HN 0.407 nan 8.360 nan 0.000 0.437 179 N N 0.658 119.328 118.700 -0.050 0.000 2.011 179 N HA 0.016 4.737 4.740 -0.031 0.000 0.228 179 N C -0.374 175.099 175.510 -0.062 0.000 1.378 179 N CA -0.245 52.768 53.050 -0.062 0.000 0.852 179 N CB 0.604 39.055 38.487 -0.060 0.000 1.111 179 N HN 0.168 nan 8.380 nan 0.000 0.497 180 K N 1.173 121.541 120.400 -0.054 0.000 2.419 180 K HA 0.026 4.328 4.320 -0.031 0.000 0.282 180 K C 0.322 176.898 176.600 -0.041 0.000 1.056 180 K CA 0.444 56.700 56.287 -0.052 0.000 1.035 180 K CB 0.140 32.614 32.500 -0.044 0.000 0.921 180 K HN 0.306 nan 8.250 nan 0.000 0.472 181 c N 2.694 121.276 118.600 -0.031 0.000 4.475 181 c HA -0.198 4.353 4.570 -0.031 0.000 0.280 181 c C 0.622 174.686 174.090 -0.043 0.000 1.338 181 c CA 0.246 56.568 56.329 -0.012 0.000 1.893 181 c CB -2.313 40.192 42.510 -0.008 0.000 1.299 181 c HN 0.938 nan 8.230 nan 0.000 0.767 182 A N -0.305 122.469 122.820 -0.077 0.000 2.386 182 A HA 0.473 4.774 4.320 -0.031 0.000 0.246 182 A C 0.846 178.293 177.584 -0.228 0.000 1.089 182 A CA 0.668 52.624 52.037 -0.136 0.000 0.790 182 A CB 0.176 19.092 19.000 -0.141 0.000 1.042 182 A HN 1.726 nan 8.150 nan 0.000 0.497 183 C N 2.071 121.195 119.300 -0.293 0.000 2.447 183 C HA 0.629 5.070 4.460 -0.031 0.000 0.402 183 C C 0.714 175.192 174.990 -0.852 0.000 1.356 183 C CA 0.392 59.129 59.018 -0.467 0.000 1.712 183 C CB -2.940 24.678 27.740 -0.204 0.000 2.540 183 C HN 1.154 nan 8.230 nan 0.000 0.593 184 S N -0.175 114.825 115.700 -1.167 0.000 2.703 184 S HA 0.362 4.813 4.470 -0.031 0.000 0.273 184 S C 0.331 174.501 174.600 -0.717 0.000 1.178 184 S CA 0.283 57.897 58.200 -0.976 0.000 0.838 184 S CB 0.606 63.575 63.200 -0.385 0.000 1.178 184 S HN 0.631 nan 8.310 nan 0.000 0.494 185 S N 0.336 115.911 115.700 -0.210 0.000 2.720 185 S HA 0.094 4.546 4.470 -0.031 0.000 0.222 185 S C 0.897 175.498 174.600 0.002 0.000 0.958 185 S CA -0.008 58.222 58.200 0.050 0.000 0.943 185 S CB -0.482 62.782 63.200 0.107 0.000 0.779 185 S HN 0.591 nan 8.310 nan 0.000 0.526 186 Q N 0.802 120.557 119.800 -0.075 0.000 2.384 186 Q HA 0.167 4.489 4.340 -0.031 0.000 0.207 186 Q C 0.186 176.156 176.000 -0.051 0.000 0.904 186 Q CA 0.359 56.129 55.803 -0.056 0.000 0.933 186 Q CB 0.174 28.869 28.738 -0.072 0.000 1.077 186 Q HN 0.650 nan 8.270 nan 0.000 0.522 187 E N 2.566 122.734 120.200 -0.054 0.000 2.115 187 E HA 0.096 4.427 4.350 -0.031 0.000 0.282 187 E C -2.001 174.656 176.600 0.095 0.000 0.987 187 E CA -2.242 54.157 56.400 -0.000 0.000 0.797 187 E CB 1.160 30.861 29.700 0.002 0.000 1.086 187 E HN -0.137 nan 8.360 nan 0.000 0.397 188 P HA -0.047 nan 4.420 nan 0.000 0.241 188 P C -0.308 177.172 177.300 0.300 0.000 1.191 188 P CA 0.442 63.612 63.100 0.117 0.000 0.771 188 P CB 0.219 31.937 31.700 0.030 0.000 0.929 189 Y N -0.329 120.023 120.300 0.086 0.000 2.801 189 Y HA 0.347 4.877 4.550 -0.034 0.000 0.318 189 Y C 0.312 176.280 175.900 0.114 0.000 1.073 189 Y CA -2.369 55.775 58.100 0.074 0.000 1.360 189 Y CB -0.959 37.529 38.460 0.047 0.000 1.220 189 Y HN -0.140 nan 8.280 nan 0.000 0.536 190 F N 0.439 120.464 119.950 0.125 0.000 2.425 190 F HA 0.713 5.222 4.527 -0.029 0.000 0.331 190 F C 0.756 176.565 175.800 0.014 0.000 1.085 190 F CA 0.333 58.361 58.000 0.047 0.000 1.028 190 F CB 1.078 40.088 39.000 0.017 0.000 1.177 190 F HN 0.330 nan 8.300 nan 0.000 0.487 191 G N 3.982 112.231 108.800 -0.917 0.000 2.760 191 G HA2 -0.328 3.613 3.960 -0.031 0.000 0.246 191 G HA3 -0.328 3.613 3.960 -0.031 0.000 0.246 191 G C -0.252 174.398 174.900 -0.417 0.000 1.359 191 G CA -0.016 44.669 45.100 -0.691 0.000 0.861 191 G HN 0.778 nan 8.290 nan 0.000 0.541 192 Y N 1.173 121.362 120.300 -0.185 0.000 2.070 192 Y HA -0.141 4.395 4.550 -0.023 0.000 0.280 192 Y C 3.485 179.341 175.900 -0.073 0.000 1.148 192 Y CA 3.108 61.131 58.100 -0.128 0.000 1.125 192 Y CB -0.940 37.421 38.460 -0.165 0.000 0.975 192 Y HN 0.931 nan 8.280 nan 0.000 0.492 193 S N -0.828 114.934 115.700 0.104 0.000 2.382 193 S HA -0.121 4.330 4.470 -0.031 0.000 0.228 193 S C 2.304 176.957 174.600 0.088 0.000 1.027 193 S CA 1.267 59.524 58.200 0.095 0.000 0.991 193 S CB -1.123 62.120 63.200 0.073 0.000 0.823 193 S HN 0.441 nan 8.310 nan 0.000 0.469 194 G N 0.672 109.501 108.800 0.047 0.000 2.494 194 G HA2 0.311 4.253 3.960 -0.031 0.000 0.216 194 G HA3 0.311 4.253 3.960 -0.031 0.000 0.216 194 G C 1.606 176.487 174.900 -0.031 0.000 1.140 194 G CA 0.487 45.624 45.100 0.063 0.000 0.801 194 G HN 0.754 nan 8.290 nan 0.000 0.536 195 A N 0.491 123.294 122.820 -0.028 0.000 1.930 195 A HA 0.092 4.393 4.320 -0.031 0.000 0.217 195 A C 2.079 179.637 177.584 -0.043 0.000 1.175 195 A CA 1.313 53.325 52.037 -0.042 0.000 0.627 195 A CB -0.471 18.520 19.000 -0.016 0.000 0.815 195 A HN 0.342 nan 8.150 nan 0.000 0.443 196 F N 0.388 120.246 119.950 -0.153 0.000 2.128 196 F HA -0.024 4.483 4.527 -0.033 0.000 0.295 196 F C 2.110 177.773 175.800 -0.229 0.000 1.100 196 F CA 1.913 59.801 58.000 -0.186 0.000 1.260 196 F CB -0.248 38.647 39.000 -0.174 0.000 1.009 196 F HN 0.143 nan 8.300 nan 0.000 0.476 197 K N -0.403 119.851 120.400 -0.244 0.000 2.103 197 K HA -0.243 4.058 4.320 -0.031 0.000 0.207 197 K C 2.489 178.635 176.600 -0.756 0.000 1.048 197 K CA 1.463 57.512 56.287 -0.396 0.000 0.930 197 K CB -0.775 31.626 32.500 -0.165 0.000 0.716 197 K HN 0.494 nan 8.250 nan 0.000 0.444 198 c N 0.585 118.576 118.600 -1.014 0.000 2.385 198 c HA -0.173 4.379 4.570 -0.031 0.000 0.275 198 c C 2.441 176.215 174.090 -0.527 0.000 1.207 198 c CA 1.279 56.935 56.329 -1.122 0.000 1.760 198 c CB -0.931 41.224 42.510 -0.591 0.000 2.051 198 c HN 0.615 nan 8.230 nan 0.000 0.467 199 L N 0.877 121.861 121.223 -0.398 0.000 2.023 199 L HA -0.084 4.238 4.340 -0.031 0.000 0.205 199 L C 2.737 179.439 176.870 -0.280 0.000 1.073 199 L CA 2.555 57.233 54.840 -0.271 0.000 0.745 199 L CB -1.151 40.779 42.059 -0.214 0.000 0.900 199 L HN 0.603 nan 8.230 nan 0.000 0.435 200 Q N -0.419 119.101 119.800 -0.467 0.000 2.029 200 Q HA -0.301 4.021 4.340 -0.031 0.000 0.209 200 Q C 1.780 177.672 176.000 -0.181 0.000 0.999 200 Q CA 2.550 58.149 55.803 -0.339 0.000 0.857 200 Q CB -0.332 28.098 28.738 -0.514 0.000 0.926 200 Q HN 0.560 nan 8.270 nan 0.000 0.415 201 D N -1.159 119.132 120.400 -0.182 0.000 2.158 201 D HA -0.109 4.512 4.640 -0.031 0.000 0.197 201 D C 1.302 177.582 176.300 -0.033 0.000 0.995 201 D CA 1.889 55.852 54.000 -0.061 0.000 0.846 201 D CB -0.153 40.678 40.800 0.052 0.000 0.941 201 D HN 0.640 nan 8.370 nan 0.000 0.456 202 G N -0.791 107.975 108.800 -0.056 0.000 2.260 202 G HA2 -0.173 3.768 3.960 -0.031 0.000 0.179 202 G HA3 -0.173 3.768 3.960 -0.031 0.000 0.179 202 G C 1.231 176.130 174.900 -0.001 0.000 1.002 202 G CA 0.715 45.802 45.100 -0.023 0.000 0.677 202 G HN 0.509 nan 8.290 nan 0.000 0.486 203 A N 0.273 123.103 122.820 0.017 0.000 1.873 203 A HA 0.454 4.755 4.320 -0.031 0.000 0.218 203 A C 1.847 179.436 177.584 0.009 0.000 1.193 203 A CA 2.666 54.739 52.037 0.059 0.000 0.629 203 A CB -0.633 18.480 19.000 0.189 0.000 0.826 203 A HN 1.865 nan 8.150 nan 0.000 0.447 204 G N -2.721 106.052 108.800 -0.045 0.000 2.597 204 G HA2 0.463 4.404 3.960 -0.031 0.000 0.317 204 G HA3 0.463 4.404 3.960 -0.031 0.000 0.317 204 G C -0.446 174.423 174.900 -0.052 0.000 1.230 204 G CA 0.094 45.157 45.100 -0.062 0.000 0.996 204 G HN 0.060 nan 8.290 nan 0.000 0.490 205 D N -1.332 119.023 120.400 -0.075 0.000 2.338 205 D HA 0.085 4.707 4.640 -0.031 0.000 0.208 205 D C 0.970 177.311 176.300 0.068 0.000 0.997 205 D CA 0.854 54.846 54.000 -0.015 0.000 0.880 205 D CB 0.839 41.519 40.800 -0.199 0.000 0.980 205 D HN 0.197 nan 8.370 nan 0.000 0.509 206 V N -0.606 119.227 119.914 -0.135 0.000 2.962 206 V HA 0.849 4.950 4.120 -0.031 0.000 0.313 206 V C -0.514 175.360 176.094 -0.367 0.000 1.099 206 V CA -1.463 60.713 62.300 -0.206 0.000 0.971 206 V CB 1.927 33.503 31.823 -0.412 0.000 1.028 206 V HN 0.015 nan 8.190 nan 0.000 0.430 207 A N 1.844 124.443 122.820 -0.369 0.000 2.355 207 A HA 0.924 5.225 4.320 -0.031 0.000 0.324 207 A C -1.234 176.067 177.584 -0.472 0.000 1.117 207 A CA -0.447 51.393 52.037 -0.328 0.000 0.785 207 A CB 1.078 20.026 19.000 -0.087 0.000 1.254 207 A HN 0.739 nan 8.150 nan 0.000 0.453 208 F N 2.565 122.477 119.950 -0.064 0.000 2.307 208 F HA 0.447 4.955 4.527 -0.032 0.000 0.369 208 F C 0.741 176.590 175.800 0.081 0.000 1.076 208 F CA -0.407 57.600 58.000 0.011 0.000 1.149 208 F CB 1.156 40.143 39.000 -0.023 0.000 1.410 208 F HN 0.534 nan 8.300 nan 0.000 0.481 209 V N -0.243 119.814 119.914 0.238 0.000 4.850 209 V HA 0.671 4.772 4.120 -0.031 0.000 0.283 209 V C -0.364 175.887 176.094 0.263 0.000 1.437 209 V CA -0.894 61.605 62.300 0.332 0.000 0.825 209 V CB 1.529 33.467 31.823 0.192 0.000 1.338 209 V HN 0.450 nan 8.190 nan 0.000 0.445 210 K N -0.704 119.683 120.400 -0.022 0.000 2.372 210 K HA 0.468 4.770 4.320 -0.031 0.000 0.251 210 K C 0.537 177.021 176.600 -0.194 0.000 1.055 210 K CA 0.165 56.379 56.287 -0.122 0.000 0.879 210 K CB 1.411 33.636 32.500 -0.460 0.000 1.384 210 K HN 0.618 nan 8.250 nan 0.000 0.465 211 D N 1.000 121.292 120.400 -0.179 0.000 2.204 211 D HA -0.370 4.251 4.640 -0.031 0.000 0.189 211 D C 1.765 177.850 176.300 -0.359 0.000 1.006 211 D CA 2.787 56.532 54.000 -0.425 0.000 0.855 211 D CB -0.802 39.544 40.800 -0.757 0.000 0.946 211 D HN 0.576 nan 8.370 nan 0.000 0.448 212 S N -0.631 114.863 115.700 -0.343 0.000 2.399 212 S HA -0.210 4.241 4.470 -0.031 0.000 0.231 212 S C 1.967 176.486 174.600 -0.134 0.000 1.022 212 S CA 1.759 59.862 58.200 -0.160 0.000 0.983 212 S CB -1.302 61.732 63.200 -0.276 0.000 0.803 212 S HN 0.420 nan 8.310 nan 0.000 0.480 213 T N 3.118 117.485 114.554 -0.311 0.000 2.592 213 T HA -0.186 4.145 4.350 -0.031 0.000 0.267 213 T C 1.907 176.236 174.700 -0.618 0.000 1.060 213 T CA 2.209 64.070 62.100 -0.398 0.000 1.167 213 T CB -1.241 67.423 68.868 -0.339 0.000 0.863 213 T HN 0.425 nan 8.240 nan 0.000 0.431 214 V N 0.722 120.097 119.914 -0.899 0.000 2.380 214 V HA -0.178 3.924 4.120 -0.031 0.000 0.251 214 V C 2.205 177.902 176.094 -0.661 0.000 1.063 214 V CA 1.781 63.427 62.300 -1.090 0.000 1.055 214 V CB -1.304 29.915 31.823 -1.006 0.000 0.657 214 V HN 0.368 nan 8.190 nan 0.000 0.455 215 F N 0.694 120.464 119.950 -0.300 0.000 2.134 215 F HA -0.095 4.412 4.527 -0.032 0.000 0.299 215 F C 2.530 178.243 175.800 -0.145 0.000 1.097 215 F CA 1.801 59.698 58.000 -0.171 0.000 1.264 215 F CB -0.512 38.405 39.000 -0.139 0.000 1.001 215 F HN 0.140 nan 8.300 nan 0.000 0.479 216 E N -0.375 119.813 120.200 -0.020 0.000 2.152 216 E HA -0.101 4.231 4.350 -0.031 0.000 0.192 216 E C 2.194 178.750 176.600 -0.074 0.000 0.983 216 E CA 1.247 57.617 56.400 -0.051 0.000 0.818 216 E CB -0.047 29.605 29.700 -0.080 0.000 0.758 216 E HN 0.266 nan 8.360 nan 0.000 0.467 217 S N 0.258 115.866 115.700 -0.152 0.000 2.404 217 S HA 0.109 4.561 4.470 -0.031 0.000 0.223 217 S C 0.796 175.410 174.600 0.024 0.000 1.040 217 S CA 0.381 58.561 58.200 -0.034 0.000 0.957 217 S CB 0.356 63.582 63.200 0.045 0.000 0.826 217 S HN 0.080 nan 8.310 nan 0.000 0.491 218 L N 2.372 123.575 121.223 -0.034 0.000 2.337 218 L HA 0.336 4.657 4.340 -0.031 0.000 0.269 218 L C -2.214 174.645 176.870 -0.018 0.000 1.018 218 L CA -1.923 52.924 54.840 0.012 0.000 0.876 218 L CB 1.803 43.878 42.059 0.027 0.000 1.236 218 L HN -0.043 nan 8.230 nan 0.000 0.436 219 P HA -0.138 nan 4.420 nan 0.000 0.211 219 P C 0.882 178.207 177.300 0.041 0.000 1.179 219 P CA 0.852 63.972 63.100 0.034 0.000 0.910 219 P CB 0.192 31.912 31.700 0.033 0.000 0.785 220 A N 0.187 123.030 122.820 0.037 0.000 2.677 220 A HA -0.201 4.100 4.320 -0.031 0.000 0.238 220 A C 1.615 179.225 177.584 0.043 0.000 1.157 220 A CA 1.230 53.291 52.037 0.039 0.000 0.879 220 A CB -0.342 18.681 19.000 0.038 0.000 1.054 220 A HN 0.212 nan 8.150 nan 0.000 0.521 221 K N -0.274 120.152 120.400 0.044 0.000 2.367 221 K HA 0.239 4.540 4.320 -0.031 0.000 0.195 221 K C 1.847 178.473 176.600 0.042 0.000 1.060 221 K CA 0.882 57.198 56.287 0.049 0.000 1.022 221 K CB -0.093 32.443 32.500 0.059 0.000 0.894 221 K HN 0.738 nan 8.250 nan 0.000 0.540 222 A N 2.266 125.108 122.820 0.037 0.000 1.892 222 A HA -0.224 4.077 4.320 -0.031 0.000 0.218 222 A C 1.551 179.158 177.584 0.039 0.000 1.188 222 A CA 2.188 54.244 52.037 0.032 0.000 0.631 222 A CB -0.612 18.403 19.000 0.025 0.000 0.822 222 A HN 0.392 nan 8.150 nan 0.000 0.447 223 D N -0.588 119.846 120.400 0.056 0.000 2.117 223 D HA -0.125 4.496 4.640 -0.031 0.000 0.197 223 D C 2.118 178.517 176.300 0.165 0.000 0.987 223 D CA 1.229 55.285 54.000 0.093 0.000 0.829 223 D CB -0.415 40.445 40.800 0.101 0.000 0.961 223 D HN 0.491 nan 8.370 nan 0.000 0.460 224 R N 0.703 121.278 120.500 0.126 0.000 2.189 224 R HA -0.042 4.279 4.340 -0.031 0.000 0.223 224 R C 1.094 177.481 176.300 0.144 0.000 1.092 224 R CA 0.685 56.863 56.100 0.129 0.000 0.989 224 R CB -0.005 30.259 30.300 -0.060 0.000 0.876 224 R HN 0.244 nan 8.270 nan 0.000 0.457 225 D N 1.016 121.465 120.400 0.081 0.000 2.363 225 D HA -0.077 4.545 4.640 -0.031 0.000 0.226 225 D C 0.957 177.258 176.300 0.001 0.000 1.020 225 D CA 0.661 54.688 54.000 0.045 0.000 0.892 225 D CB 0.214 41.026 40.800 0.021 0.000 0.900 225 D HN 0.287 nan 8.370 nan 0.000 0.531 226 Q N 0.138 119.914 119.800 -0.040 0.000 2.282 226 Q HA 0.048 4.369 4.340 -0.031 0.000 0.205 226 Q C -0.350 175.328 176.000 -0.537 0.000 0.915 226 Q CA 0.151 55.795 55.803 -0.265 0.000 0.949 226 Q CB -0.047 28.502 28.738 -0.315 0.000 1.035 226 Q HN 0.382 nan 8.270 nan 0.000 0.484 227 Y N -0.041 120.249 120.300 -0.017 0.000 2.512 227 Y HA 0.420 4.951 4.550 -0.030 0.000 0.348 227 Y C 0.385 176.271 175.900 -0.023 0.000 0.990 227 Y CA -0.963 57.129 58.100 -0.013 0.000 1.033 227 Y CB 1.813 40.289 38.460 0.026 0.000 1.259 227 Y HN -0.102 nan 8.280 nan 0.000 0.461 228 E N 1.356 121.639 120.200 0.138 0.000 2.339 228 E HA 0.636 4.967 4.350 -0.031 0.000 0.262 228 E C -1.725 174.925 176.600 0.082 0.000 0.934 228 E CA -1.176 55.263 56.400 0.065 0.000 0.802 228 E CB 2.580 32.271 29.700 -0.015 0.000 1.275 228 E HN 0.240 nan 8.360 nan 0.000 0.427 229 L N 1.367 122.632 121.223 0.070 0.000 2.354 229 L HA 0.363 4.684 4.340 -0.031 0.000 0.269 229 L C -1.404 175.514 176.870 0.081 0.000 1.005 229 L CA -0.796 54.100 54.840 0.094 0.000 0.819 229 L CB 1.585 43.716 42.059 0.121 0.000 1.311 229 L HN 0.350 nan 8.230 nan 0.000 0.423 230 L N 2.740 124.027 121.223 0.107 0.000 2.272 230 L HA 0.478 4.799 4.340 -0.031 0.000 0.289 230 L C -0.282 176.656 176.870 0.112 0.000 1.032 230 L CA -0.137 54.766 54.840 0.104 0.000 0.810 230 L CB 0.935 43.088 42.059 0.156 0.000 1.205 230 L HN 0.609 nan 8.230 nan 0.000 0.422 231 c N 4.093 122.741 118.600 0.079 0.000 2.362 231 c HA 0.402 4.953 4.570 -0.031 0.000 0.363 231 c C -0.780 173.356 174.090 0.076 0.000 1.220 231 c CA -0.980 55.389 56.329 0.066 0.000 2.379 231 c CB 0.740 43.265 42.510 0.025 0.000 2.351 231 c HN 0.684 nan 8.230 nan 0.000 0.582 232 P HA -0.082 nan 4.420 nan 0.000 0.225 232 P C 0.698 178.042 177.300 0.072 0.000 1.148 232 P CA 1.384 64.531 63.100 0.078 0.000 0.779 232 P CB -0.182 31.557 31.700 0.064 0.000 0.780 233 N N -0.679 118.052 118.700 0.052 0.000 2.336 233 N HA -0.035 4.687 4.740 -0.031 0.000 0.189 233 N C -0.301 175.242 175.510 0.056 0.000 1.113 233 N CA -0.127 52.955 53.050 0.053 0.000 0.858 233 N CB -1.189 37.322 38.487 0.040 0.000 0.970 233 N HN -0.022 nan 8.380 nan 0.000 0.471 234 N N -0.887 117.849 118.700 0.060 0.000 3.038 234 N HA -0.133 4.588 4.740 -0.031 0.000 0.247 234 N C -1.116 174.418 175.510 0.040 0.000 1.106 234 N CA 1.016 54.100 53.050 0.056 0.000 0.672 234 N CB -1.467 37.051 38.487 0.052 0.000 1.022 234 N HN 0.713 nan 8.380 nan 0.000 0.565 235 T N -3.120 111.456 114.554 0.037 0.000 2.716 235 T HA 0.769 5.100 4.350 -0.031 0.000 0.286 235 T C -0.756 173.952 174.700 0.014 0.000 1.052 235 T CA -1.051 61.060 62.100 0.020 0.000 1.024 235 T CB 2.230 71.109 68.868 0.018 0.000 1.349 235 T HN 0.108 nan 8.240 nan 0.000 0.525 236 R N 0.509 121.009 120.500 -0.001 0.000 2.803 236 R HA 0.743 5.065 4.340 -0.031 0.000 0.276 236 R C -1.073 175.231 176.300 0.008 0.000 0.978 236 R CA -1.081 55.017 56.100 -0.004 0.000 0.939 236 R CB 1.786 32.060 30.300 -0.042 0.000 1.179 236 R HN 0.534 nan 8.270 nan 0.000 0.472 237 K N 1.454 121.869 120.400 0.025 0.000 2.523 237 K HA 0.451 4.752 4.320 -0.031 0.000 0.257 237 K C -2.744 173.889 176.600 0.055 0.000 0.932 237 K CA -2.356 53.951 56.287 0.033 0.000 0.812 237 K CB 2.485 35.003 32.500 0.031 0.000 1.326 237 K HN 0.251 nan 8.250 nan 0.000 0.433 238 P HA -0.069 nan 4.420 nan 0.000 0.269 238 P C 1.147 178.518 177.300 0.118 0.000 1.211 238 P CA -0.167 62.977 63.100 0.074 0.000 0.781 238 P CB 0.510 32.250 31.700 0.066 0.000 0.877 239 V N -1.089 118.895 119.914 0.116 0.000 2.970 239 V HA -0.140 3.961 4.120 -0.031 0.000 0.260 239 V C 0.817 177.226 176.094 0.526 0.000 1.100 239 V CA 1.896 64.288 62.300 0.154 0.000 1.122 239 V CB -1.511 30.238 31.823 -0.123 0.000 0.721 239 V HN 0.470 nan 8.190 nan 0.000 0.483 240 D N 0.982 121.698 120.400 0.527 0.000 2.434 240 D HA 0.363 4.984 4.640 -0.031 0.000 0.232 240 D C 1.168 177.460 176.300 -0.013 0.000 1.166 240 D CA 0.626 54.922 54.000 0.492 0.000 0.830 240 D CB 0.213 41.203 40.800 0.318 0.000 0.960 240 D HN 0.533 nan 8.370 nan 0.000 0.497 241 A N 0.024 122.856 122.820 0.021 0.000 2.423 241 A HA 0.234 4.536 4.320 -0.031 0.000 0.246 241 A C 1.122 178.622 177.584 -0.141 0.000 1.278 241 A CA -0.537 51.437 52.037 -0.104 0.000 0.903 241 A CB -0.995 17.998 19.000 -0.010 0.000 0.997 241 A HN 0.332 nan 8.150 nan 0.000 0.510 242 F N -0.287 119.690 119.950 0.045 0.000 2.216 242 F HA -0.181 4.329 4.527 -0.029 0.000 0.300 242 F C 1.988 177.726 175.800 -0.105 0.000 1.085 242 F CA 1.236 59.253 58.000 0.028 0.000 1.326 242 F CB -0.942 38.105 39.000 0.078 0.000 1.027 242 F HN 0.255 nan 8.300 nan 0.000 0.497 243 Q N 1.215 120.647 119.800 -0.614 0.000 2.135 243 Q HA -0.215 4.106 4.340 -0.031 0.000 0.204 243 Q C 1.610 177.481 176.000 -0.216 0.000 0.981 243 Q CA 2.226 57.731 55.803 -0.496 0.000 0.856 243 Q CB -0.509 27.926 28.738 -0.505 0.000 0.902 243 Q HN 0.796 nan 8.270 nan 0.000 0.425 244 E N -1.211 118.868 120.200 -0.202 0.000 2.498 244 E HA 0.130 4.461 4.350 -0.031 0.000 0.203 244 E C 0.353 176.840 176.600 -0.188 0.000 1.013 244 E CA -0.145 56.151 56.400 -0.172 0.000 0.927 244 E CB 0.531 30.165 29.700 -0.111 0.000 1.012 244 E HN 0.045 nan 8.360 nan 0.000 0.482 245 c N 3.224 121.746 118.600 -0.130 0.000 3.188 245 c HA 0.392 4.943 4.570 -0.031 0.000 0.230 245 c C -0.696 173.440 174.090 0.076 0.000 1.239 245 c CA -0.378 55.922 56.329 -0.050 0.000 1.494 245 c CB -1.227 41.288 42.510 0.008 0.000 1.798 245 c HN 0.578 nan 8.230 nan 0.000 0.458 246 H N 1.374 120.494 119.070 0.083 0.000 2.941 246 H HA 0.447 4.985 4.556 -0.031 0.000 0.344 246 H C -0.500 174.933 175.328 0.175 0.000 1.235 246 H CA -0.883 55.260 56.048 0.158 0.000 1.149 246 H CB 1.234 31.092 29.762 0.160 0.000 1.885 246 H HN 0.316 nan 8.280 nan 0.000 0.558 247 L N -0.503 120.998 121.223 0.464 0.000 2.362 247 L HA 0.456 4.777 4.340 -0.031 0.000 0.204 247 L C 0.433 177.502 176.870 0.332 0.000 1.060 247 L CA 0.797 55.831 54.840 0.323 0.000 0.827 247 L CB 0.518 42.747 42.059 0.284 0.000 1.027 247 L HN 0.861 nan 8.230 nan 0.000 0.474 248 A N -0.325 122.710 122.820 0.358 0.000 2.597 248 A HA 0.494 4.796 4.320 -0.031 0.000 0.292 248 A C -1.202 176.427 177.584 0.075 0.000 1.057 248 A CA -0.570 51.606 52.037 0.231 0.000 0.674 248 A CB 1.361 20.451 19.000 0.150 0.000 1.278 248 A HN 0.073 nan 8.150 nan 0.000 0.416 249 R N 0.749 121.206 120.500 -0.072 0.000 2.393 249 R HA 0.620 4.942 4.340 -0.031 0.000 0.310 249 R C -1.323 174.753 176.300 -0.374 0.000 0.968 249 R CA -0.346 55.506 56.100 -0.413 0.000 0.867 249 R CB 1.590 31.583 30.300 -0.510 0.000 1.124 249 R HN 1.229 nan 8.270 nan 0.000 0.450 250 V N 5.565 125.146 119.914 -0.554 0.000 2.357 250 V HA 0.605 4.706 4.120 -0.031 0.000 0.284 250 V C -2.558 173.254 176.094 -0.470 0.000 1.018 250 V CA -2.358 59.641 62.300 -0.501 0.000 0.841 250 V CB 1.647 33.265 31.823 -0.341 0.000 0.991 250 V HN 0.738 nan 8.190 nan 0.000 0.437 251 P HA 0.308 nan 4.420 nan 0.000 0.276 251 P C -0.185 177.060 177.300 -0.091 0.000 1.244 251 P CA -0.033 62.805 63.100 -0.437 0.000 0.801 251 P CB 0.982 32.174 31.700 -0.847 0.000 1.006 252 S N 0.527 116.260 115.700 0.055 0.000 2.593 252 S HA 0.150 4.602 4.470 -0.031 0.000 0.269 252 S C 0.306 175.149 174.600 0.405 0.000 1.334 252 S CA -0.476 57.860 58.200 0.227 0.000 1.015 252 S CB -0.392 62.805 63.200 -0.005 0.000 0.912 252 S HN 0.421 nan 8.310 nan 0.000 0.541 253 H N 0.340 119.615 119.070 0.340 0.000 3.038 253 H HA 0.299 4.834 4.556 -0.035 0.000 0.338 253 H C 0.502 175.981 175.328 0.252 0.000 1.041 253 H CA 0.348 56.571 56.048 0.292 0.000 1.394 253 H CB 0.335 30.279 29.762 0.303 0.000 1.357 253 H HN 0.835 nan 8.280 nan 0.000 0.600 254 A N 3.167 126.131 122.820 0.240 0.000 2.355 254 A HA 0.417 4.718 4.320 -0.031 0.000 0.324 254 A C -0.487 177.153 177.584 0.094 0.000 1.117 254 A CA -0.785 51.296 52.037 0.074 0.000 0.785 254 A CB 1.142 19.972 19.000 -0.283 0.000 1.254 254 A HN 0.480 nan 8.150 nan 0.000 0.453 255 V N 2.499 122.499 119.914 0.143 0.000 2.470 255 V HA 0.344 4.445 4.120 -0.031 0.000 0.276 255 V C 0.625 176.711 176.094 -0.012 0.000 1.040 255 V CA -0.116 62.261 62.300 0.128 0.000 1.008 255 V CB 0.364 32.375 31.823 0.313 0.000 0.990 255 V HN 0.844 nan 8.190 nan 0.000 0.477 256 V N 2.447 122.315 119.914 -0.077 0.000 2.834 256 V HA 1.068 5.170 4.120 -0.031 0.000 0.313 256 V C 0.067 176.089 176.094 -0.120 0.000 1.060 256 V CA -0.252 61.986 62.300 -0.105 0.000 0.989 256 V CB 1.460 33.219 31.823 -0.106 0.000 1.041 256 V HN 1.233 nan 8.190 nan 0.000 0.459 257 A N 2.936 125.698 122.820 -0.097 0.000 2.599 257 A HA 0.769 5.070 4.320 -0.031 0.000 0.290 257 A C -0.345 177.198 177.584 -0.067 0.000 1.101 257 A CA -1.058 50.925 52.037 -0.090 0.000 0.674 257 A CB 1.350 20.311 19.000 -0.064 0.000 1.277 257 A HN 1.252 nan 8.150 nan 0.000 0.419 258 R N 0.654 121.119 120.500 -0.058 0.000 2.543 258 R HA 0.411 4.732 4.340 -0.031 0.000 0.277 258 R C 0.237 176.516 176.300 -0.035 0.000 1.074 258 R CA 0.356 56.431 56.100 -0.042 0.000 1.076 258 R CB 0.525 30.804 30.300 -0.035 0.000 0.993 258 R HN 0.453 nan 8.270 nan 0.000 0.459 259 S N 1.412 117.093 115.700 -0.031 0.000 2.345 259 S HA -0.055 4.396 4.470 -0.031 0.000 0.220 259 S C 0.924 175.510 174.600 -0.024 0.000 1.031 259 S CA 0.664 58.847 58.200 -0.029 0.000 0.996 259 S CB 0.069 63.252 63.200 -0.027 0.000 0.882 259 S HN 0.439 nan 8.310 nan 0.000 0.445 260 V N 3.852 123.753 119.914 -0.022 0.000 2.508 260 V HA 0.172 4.273 4.120 -0.031 0.000 0.281 260 V C 0.673 176.756 176.094 -0.018 0.000 1.041 260 V CA -0.339 61.950 62.300 -0.019 0.000 1.016 260 V CB 0.405 32.217 31.823 -0.018 0.000 0.984 260 V HN 0.581 nan 8.190 nan 0.000 0.478 261 N N 3.711 122.402 118.700 -0.014 0.000 2.667 261 N HA -0.170 4.551 4.740 -0.031 0.000 0.263 261 N C 1.146 176.647 175.510 -0.014 0.000 1.038 261 N CA 0.750 53.792 53.050 -0.012 0.000 0.749 261 N CB -0.466 38.013 38.487 -0.013 0.000 0.892 261 N HN 1.004 nan 8.380 nan 0.000 0.546 262 G N 0.185 108.977 108.800 -0.014 0.000 2.777 262 G HA2 -0.062 3.879 3.960 -0.031 0.000 0.211 262 G HA3 -0.062 3.879 3.960 -0.031 0.000 0.211 262 G C 0.802 175.698 174.900 -0.007 0.000 1.149 262 G CA 0.636 45.725 45.100 -0.017 0.000 0.785 262 G HN 0.561 nan 8.290 nan 0.000 0.536 263 K N 0.079 120.483 120.400 0.006 0.000 3.088 263 K HA -0.223 4.078 4.320 -0.031 0.000 0.273 263 K C 1.650 178.281 176.600 0.051 0.000 1.111 263 K CA 0.810 57.112 56.287 0.024 0.000 0.803 263 K CB -0.818 31.694 32.500 0.020 0.000 1.226 263 K HN 0.701 nan 8.250 nan 0.000 0.485 264 E N 0.406 120.637 120.200 0.050 0.000 2.048 264 E HA -0.264 4.067 4.350 -0.031 0.000 0.202 264 E C 1.056 177.750 176.600 0.157 0.000 1.021 264 E CA 1.703 58.153 56.400 0.084 0.000 0.825 264 E CB -0.151 29.576 29.700 0.046 0.000 0.756 264 E HN 0.391 nan 8.360 nan 0.000 0.454 265 D N 0.989 121.466 120.400 0.128 0.000 2.104 265 D HA -0.140 4.481 4.640 -0.031 0.000 0.194 265 D C 2.068 178.466 176.300 0.165 0.000 0.994 265 D CA 0.685 54.782 54.000 0.162 0.000 0.830 265 D CB -0.353 40.509 40.800 0.104 0.000 0.959 265 D HN 0.056 nan 8.370 nan 0.000 0.452 266 L N 1.247 122.538 121.223 0.113 0.000 1.989 266 L HA -0.140 4.182 4.340 -0.031 0.000 0.211 266 L C 2.343 179.289 176.870 0.127 0.000 1.071 266 L CA 1.322 56.218 54.840 0.093 0.000 0.749 266 L CB -1.038 41.059 42.059 0.063 0.000 0.890 266 L HN 0.005 nan 8.230 nan 0.000 0.431 267 I N -1.881 118.795 120.570 0.177 0.000 2.163 267 I HA -0.381 3.771 4.170 -0.031 0.000 0.243 267 I C 2.472 178.772 176.117 0.305 0.000 1.085 267 I CA 1.740 63.197 61.300 0.262 0.000 1.347 267 I CB -0.577 37.587 38.000 0.272 0.000 1.044 267 I HN 0.488 nan 8.210 nan 0.000 0.408 268 W N 2.090 123.473 121.300 0.139 0.000 2.363 268 W HA -0.278 4.362 4.660 -0.032 0.000 0.296 268 W C 2.447 179.028 176.519 0.104 0.000 1.212 268 W CA 1.490 58.908 57.345 0.121 0.000 1.260 268 W CB 0.018 29.522 29.460 0.074 0.000 1.131 268 W HN 0.051 nan 8.180 nan 0.000 0.530 269 K N 0.795 121.159 120.400 -0.059 0.000 2.103 269 K HA -0.186 4.115 4.320 -0.031 0.000 0.204 269 K C 2.132 178.641 176.600 -0.152 0.000 1.052 269 K CA 1.432 57.631 56.287 -0.146 0.000 0.945 269 K CB -0.950 31.533 32.500 -0.028 0.000 0.722 269 K HN 0.190 nan 8.250 nan 0.000 0.443 270 L N -0.055 121.138 121.223 -0.049 0.000 2.046 270 L HA -0.085 4.236 4.340 -0.031 0.000 0.208 270 L C 1.551 178.420 176.870 -0.002 0.000 1.077 270 L CA 1.621 56.456 54.840 -0.008 0.000 0.747 270 L CB -0.535 41.548 42.059 0.040 0.000 0.896 270 L HN 0.100 nan 8.230 nan 0.000 0.432 271 L N -0.782 120.397 121.223 -0.074 0.000 2.109 271 L HA -0.070 4.251 4.340 -0.031 0.000 0.207 271 L C 2.520 179.138 176.870 -0.420 0.000 1.086 271 L CA 1.309 56.047 54.840 -0.171 0.000 0.760 271 L CB -0.992 40.945 42.059 -0.203 0.000 0.910 271 L HN 0.177 nan 8.230 nan 0.000 0.437 272 V N -0.847 118.673 119.914 -0.658 0.000 2.358 272 V HA -0.249 3.853 4.120 -0.031 0.000 0.246 272 V C 2.499 178.433 176.094 -0.266 0.000 1.047 272 V CA 1.366 63.362 62.300 -0.507 0.000 1.035 272 V CB -0.607 30.943 31.823 -0.455 0.000 0.658 272 V HN 0.392 nan 8.190 nan 0.000 0.452 273 K N 0.203 120.481 120.400 -0.203 0.000 2.148 273 K HA -0.052 4.249 4.320 -0.031 0.000 0.204 273 K C 2.135 178.613 176.600 -0.203 0.000 1.050 273 K CA 1.423 57.608 56.287 -0.170 0.000 0.942 273 K CB -0.246 32.178 32.500 -0.126 0.000 0.724 273 K HN 0.491 nan 8.250 nan 0.000 0.446 274 A N 0.558 123.330 122.820 -0.079 0.000 2.123 274 A HA -0.063 4.238 4.320 -0.031 0.000 0.214 274 A C 1.907 179.394 177.584 -0.161 0.000 1.152 274 A CA 0.624 52.663 52.037 0.005 0.000 0.728 274 A CB -0.027 19.335 19.000 0.603 0.000 0.814 274 A HN 0.244 nan 8.150 nan 0.000 0.464 275 Q N -0.635 119.050 119.800 -0.193 0.000 2.123 275 Q HA -0.088 4.233 4.340 -0.031 0.000 0.196 275 Q C 1.904 177.821 176.000 -0.139 0.000 0.958 275 Q CA 1.048 56.754 55.803 -0.162 0.000 0.841 275 Q CB -0.028 28.646 28.738 -0.107 0.000 0.915 275 Q HN 0.743 nan 8.270 nan 0.000 0.455 276 E N 0.394 120.493 120.200 -0.170 0.000 2.051 276 E HA -0.191 4.140 4.350 -0.031 0.000 0.192 276 E C 1.585 178.053 176.600 -0.221 0.000 0.991 276 E CA 1.135 57.438 56.400 -0.162 0.000 0.799 276 E CB 0.219 29.826 29.700 -0.156 0.000 0.748 276 E HN 0.131 nan 8.360 nan 0.000 0.449 277 K N -1.202 118.963 120.400 -0.392 0.000 2.334 277 K HA 0.071 4.372 4.320 -0.031 0.000 0.195 277 K C 0.872 177.153 176.600 -0.532 0.000 1.045 277 K CA 0.400 56.362 56.287 -0.543 0.000 1.004 277 K CB 0.493 32.609 32.500 -0.641 0.000 0.837 277 K HN 0.084 nan 8.250 nan 0.000 0.510 278 F N -0.887 118.962 119.950 -0.169 0.000 2.856 278 F HA 0.279 4.787 4.527 -0.031 0.000 0.338 278 F C 1.229 176.796 175.800 -0.387 0.000 1.100 278 F CA -1.063 56.752 58.000 -0.308 0.000 1.150 278 F CB 0.406 39.075 39.000 -0.552 0.000 1.101 278 F HN -0.107 nan 8.300 nan 0.000 0.548 279 G N 0.985 109.704 108.800 -0.134 0.000 2.529 279 G HA2 0.177 4.118 3.960 -0.031 0.000 0.277 279 G HA3 0.177 4.118 3.960 -0.031 0.000 0.277 279 G C 0.018 174.938 174.900 0.033 0.000 1.383 279 G CA -0.580 44.461 45.100 -0.099 0.000 1.050 279 G HN 0.077 nan 8.290 nan 0.000 0.526 280 R N -0.741 119.887 120.500 0.214 0.000 2.697 280 R HA 0.247 4.569 4.340 -0.031 0.000 0.265 280 R C 1.337 177.664 176.300 0.044 0.000 1.009 280 R CA 1.376 57.551 56.100 0.125 0.000 1.099 280 R CB -0.028 30.323 30.300 0.084 0.000 0.965 280 R HN 1.206 nan 8.270 nan 0.000 0.428 281 G N 2.169 110.983 108.800 0.022 0.000 2.221 281 G HA2 -0.300 3.642 3.960 -0.031 0.000 0.265 281 G HA3 -0.300 3.642 3.960 -0.031 0.000 0.265 281 G C -0.144 174.756 174.900 -0.000 0.000 1.041 281 G CA 0.683 45.788 45.100 0.008 0.000 0.807 281 G HN 0.470 nan 8.290 nan 0.000 0.502 282 K N -0.602 119.796 120.400 -0.004 0.000 2.238 282 K HA 0.689 4.991 4.320 -0.031 0.000 0.239 282 K C -0.984 175.617 176.600 0.001 0.000 0.987 282 K CA -2.055 54.227 56.287 -0.008 0.000 0.857 282 K CB 1.282 33.773 32.500 -0.015 0.000 1.154 282 K HN -0.138 nan 8.250 nan 0.000 0.439 283 P HA -0.143 nan 4.420 nan 0.000 0.218 283 P C -0.558 176.759 177.300 0.029 0.000 1.146 283 P CA 1.115 64.226 63.100 0.019 0.000 0.820 283 P CB 0.132 31.845 31.700 0.021 0.000 0.778 284 S N -1.241 114.481 115.700 0.037 0.000 2.652 284 S HA 0.475 4.926 4.470 -0.031 0.000 0.267 284 S C 1.271 175.883 174.600 0.019 0.000 1.201 284 S CA -0.108 58.121 58.200 0.050 0.000 0.996 284 S CB 0.673 63.931 63.200 0.097 0.000 1.054 284 S HN 0.077 nan 8.310 nan 0.000 0.561 285 A N -0.221 122.619 122.820 0.034 0.000 1.999 285 A HA 0.367 4.668 4.320 -0.031 0.000 0.200 285 A C 0.430 178.038 177.584 0.039 0.000 1.363 285 A CA -0.146 51.909 52.037 0.030 0.000 0.844 285 A CB -0.303 18.723 19.000 0.043 0.000 0.954 285 A HN 0.628 nan 8.150 nan 0.000 0.481 286 F N 2.945 122.829 119.950 -0.109 0.000 2.462 286 F HA 0.404 4.911 4.527 -0.032 0.000 0.360 286 F C -0.095 175.571 175.800 -0.224 0.000 1.134 286 F CA -0.757 57.114 58.000 -0.214 0.000 1.148 286 F CB -0.043 38.740 39.000 -0.362 0.000 1.147 286 F HN 0.201 nan 8.300 nan 0.000 0.550 287 Q N 7.038 126.480 119.800 -0.596 0.000 2.331 287 Q HA 0.223 4.545 4.340 -0.031 0.000 0.267 287 Q C 0.998 176.479 176.000 -0.864 0.000 1.006 287 Q CA -0.677 54.729 55.803 -0.663 0.000 0.818 287 Q CB 2.714 31.293 28.738 -0.264 0.000 1.276 287 Q HN 0.850 nan 8.270 nan 0.000 0.450 288 L N 1.827 122.386 121.223 -1.108 0.000 1.990 288 L HA -0.139 4.182 4.340 -0.031 0.000 0.213 288 L C 0.309 176.758 176.870 -0.701 0.000 1.072 288 L CA 1.608 55.789 54.840 -1.099 0.000 0.755 288 L CB 0.046 41.184 42.059 -1.535 0.000 0.889 288 L HN 0.547 nan 8.230 nan 0.000 0.432 289 F N 0.075 119.870 119.950 -0.258 0.000 2.384 289 F HA 0.568 5.075 4.527 -0.033 0.000 0.359 289 F C 0.540 176.297 175.800 -0.072 0.000 1.143 289 F CA -0.608 57.332 58.000 -0.099 0.000 1.216 289 F CB 0.331 39.288 39.000 -0.071 0.000 1.512 289 F HN -0.075 nan 8.300 nan 0.000 0.573 290 G N 0.358 109.200 108.800 0.069 0.000 2.503 290 G HA2 0.412 4.353 3.960 -0.031 0.000 0.305 290 G HA3 0.412 4.353 3.960 -0.031 0.000 0.305 290 G C -1.699 173.225 174.900 0.040 0.000 1.575 290 G CA -0.680 44.447 45.100 0.046 0.000 0.890 290 G HN 0.396 nan 8.290 nan 0.000 0.612 291 S N 0.541 116.272 115.700 0.051 0.000 2.726 291 S HA 0.863 5.315 4.470 -0.031 0.000 0.308 291 S C -1.586 173.036 174.600 0.038 0.000 1.115 291 S CA -1.007 57.222 58.200 0.048 0.000 0.965 291 S CB 1.598 64.832 63.200 0.057 0.000 1.145 291 S HN 0.488 nan 8.310 nan 0.000 0.532 292 P HA 0.383 nan 4.420 nan 0.000 0.335 292 P C 0.048 177.362 177.300 0.025 0.000 1.379 292 P CA -0.027 63.090 63.100 0.027 0.000 0.794 292 P CB 0.117 31.832 31.700 0.025 0.000 1.849 293 A N -0.824 122.009 122.820 0.021 0.000 2.417 293 A HA 0.380 4.681 4.320 -0.031 0.000 0.224 293 A C 1.884 179.479 177.584 0.019 0.000 2.273 293 A CA 0.724 52.773 52.037 0.019 0.000 1.018 293 A CB -1.264 17.745 19.000 0.015 0.000 1.400 293 A HN 0.445 nan 8.150 nan 0.000 0.580 294 G N -0.003 108.807 108.800 0.017 0.000 2.916 294 G HA2 0.214 4.155 3.960 -0.031 0.000 0.205 294 G HA3 0.214 4.155 3.960 -0.031 0.000 0.205 294 G C 0.199 175.114 174.900 0.024 0.000 1.163 294 G CA 0.126 45.237 45.100 0.019 0.000 0.821 294 G HN 0.330 nan 8.290 nan 0.000 0.515 295 Q N 0.208 120.025 119.800 0.028 0.000 2.303 295 Q HA 0.467 4.788 4.340 -0.031 0.000 0.257 295 Q C -0.682 175.343 176.000 0.042 0.000 0.941 295 Q CA -0.347 55.477 55.803 0.034 0.000 0.931 295 Q CB 1.970 30.727 28.738 0.032 0.000 1.215 295 Q HN -0.044 nan 8.270 nan 0.000 0.437 296 K N 2.163 122.592 120.400 0.047 0.000 2.376 296 K HA 0.227 4.528 4.320 -0.031 0.000 0.257 296 K C -1.080 175.564 176.600 0.073 0.000 0.939 296 K CA -0.390 55.932 56.287 0.057 0.000 0.809 296 K CB 0.869 33.401 32.500 0.053 0.000 1.121 296 K HN 0.419 nan 8.250 nan 0.000 0.425 297 D N 2.319 122.770 120.400 0.086 0.000 2.697 297 D HA -0.212 4.409 4.640 -0.031 0.000 0.235 297 D C -0.588 175.773 176.300 0.102 0.000 1.167 297 D CA 0.560 54.629 54.000 0.115 0.000 0.656 297 D CB -0.609 40.272 40.800 0.134 0.000 1.025 297 D HN 0.146 nan 8.370 nan 0.000 0.419 298 L N 0.543 121.816 121.223 0.082 0.000 2.380 298 L HA 0.274 4.595 4.340 -0.031 0.000 0.273 298 L C 1.952 178.846 176.870 0.040 0.000 1.138 298 L CA 0.078 54.955 54.840 0.060 0.000 0.832 298 L CB 0.505 42.594 42.059 0.051 0.000 1.124 298 L HN 0.361 nan 8.230 nan 0.000 0.454 299 L N 0.666 121.882 121.223 -0.011 0.000 3.467 299 L HA -0.382 3.939 4.340 -0.031 0.000 0.185 299 L C 0.025 176.637 176.870 -0.430 0.000 4.356 299 L CA 1.557 56.286 54.840 -0.185 0.000 0.777 299 L CB -1.104 40.810 42.059 -0.243 0.000 3.491 299 L HN 0.430 nan 8.230 nan 0.000 0.841 300 F N -0.852 119.188 119.950 0.149 0.000 2.790 300 F HA 0.565 5.074 4.527 -0.030 0.000 0.386 300 F C 0.519 176.469 175.800 0.250 0.000 1.206 300 F CA -0.457 57.690 58.000 0.245 0.000 1.109 300 F CB 0.678 39.855 39.000 0.296 0.000 1.469 300 F HN -0.185 nan 8.300 nan 0.000 0.513 301 K N 0.488 121.197 120.400 0.514 0.000 2.110 301 K HA 0.224 4.526 4.320 -0.031 0.000 0.263 301 K C 0.004 176.777 176.600 0.289 0.000 0.975 301 K CA -0.376 56.103 56.287 0.321 0.000 0.895 301 K CB 0.862 33.534 32.500 0.288 0.000 1.060 301 K HN 0.439 nan 8.250 nan 0.000 0.448 302 D N 0.973 121.483 120.400 0.184 0.000 2.347 302 D HA -0.061 4.560 4.640 -0.031 0.000 0.215 302 D C 0.669 177.028 176.300 0.098 0.000 0.976 302 D CA 0.822 54.912 54.000 0.149 0.000 0.884 302 D CB 0.347 41.203 40.800 0.095 0.000 0.915 302 D HN 0.403 nan 8.370 nan 0.000 0.526 303 S N 0.498 116.235 115.700 0.062 0.000 2.461 303 S HA 0.121 4.572 4.470 -0.031 0.000 0.228 303 S C 1.197 175.831 174.600 0.058 0.000 1.005 303 S CA -0.067 58.136 58.200 0.006 0.000 0.942 303 S CB 0.251 63.377 63.200 -0.124 0.000 0.776 303 S HN 0.300 nan 8.310 nan 0.000 0.514 304 A N 1.600 124.464 122.820 0.074 0.000 2.340 304 A HA 0.601 4.902 4.320 -0.031 0.000 0.268 304 A C 0.575 177.914 177.584 -0.408 0.000 1.100 304 A CA -0.550 51.461 52.037 -0.042 0.000 0.803 304 A CB 0.165 19.057 19.000 -0.180 0.000 1.043 304 A HN 0.481 nan 8.150 nan 0.000 0.488 305 L N -0.389 120.595 121.223 -0.397 0.000 2.959 305 L HA 0.692 5.013 4.340 -0.031 0.000 0.259 305 L C 0.368 176.995 176.870 -0.405 0.000 1.185 305 L CA 0.631 55.256 54.840 -0.360 0.000 0.998 305 L CB 0.049 42.020 42.059 -0.147 0.000 1.337 305 L HN 1.173 nan 8.230 nan 0.000 0.555 306 G N -0.551 107.864 108.800 -0.641 0.000 2.337 306 G HA2 0.350 4.291 3.960 -0.031 0.000 0.298 306 G HA3 0.350 4.291 3.960 -0.031 0.000 0.298 306 G C -2.199 172.608 174.900 -0.155 0.000 1.335 306 G CA -0.777 44.154 45.100 -0.282 0.000 0.875 306 G HN 0.013 nan 8.290 nan 0.000 0.579 307 L N -0.429 120.861 121.223 0.112 0.000 2.286 307 L HA 0.812 5.133 4.340 -0.031 0.000 0.265 307 L C -0.173 176.901 176.870 0.340 0.000 1.012 307 L CA -0.940 54.050 54.840 0.250 0.000 0.818 307 L CB 1.659 43.979 42.059 0.435 0.000 1.337 307 L HN 0.596 nan 8.230 nan 0.000 0.438 308 L N 1.091 122.468 121.223 0.256 0.000 2.455 308 L HA 0.414 4.736 4.340 -0.031 0.000 0.264 308 L C -0.443 176.229 176.870 -0.330 0.000 0.968 308 L CA -0.808 54.076 54.840 0.073 0.000 0.827 308 L CB 2.695 44.834 42.059 0.133 0.000 1.317 308 L HN 0.569 nan 8.230 nan 0.000 0.407 309 R N 3.134 123.103 120.500 -0.885 0.000 2.401 309 R HA 0.372 4.694 4.340 -0.031 0.000 0.299 309 R C -0.771 175.178 176.300 -0.584 0.000 1.064 309 R CA 0.118 55.622 56.100 -0.994 0.000 1.000 309 R CB 0.274 29.700 30.300 -1.457 0.000 0.973 309 R HN 0.464 nan 8.270 nan 0.000 0.438 310 I N 8.137 128.406 120.570 -0.502 0.000 2.325 310 I HA 0.257 4.408 4.170 -0.031 0.000 0.291 310 I C -1.686 174.129 176.117 -0.503 0.000 1.019 310 I CA -2.358 58.592 61.300 -0.583 0.000 1.302 310 I CB 1.380 39.193 38.000 -0.312 0.000 1.401 310 I HN 0.533 nan 8.210 nan 0.000 0.485 311 P HA -0.154 nan 4.420 nan 0.000 0.267 311 P C -0.033 177.133 177.300 -0.223 0.000 1.158 311 P CA 0.542 63.434 63.100 -0.346 0.000 0.756 311 P CB 0.478 31.984 31.700 -0.324 0.000 0.766 312 K N 2.615 122.921 120.400 -0.157 0.000 2.296 312 K HA -0.118 4.184 4.320 -0.031 0.000 0.200 312 K C 1.706 178.259 176.600 -0.078 0.000 1.048 312 K CA 0.999 57.220 56.287 -0.110 0.000 0.966 312 K CB -0.164 32.282 32.500 -0.090 0.000 0.754 312 K HN 0.254 nan 8.250 nan 0.000 0.466 313 K N 1.475 121.833 120.400 -0.070 0.000 2.063 313 K HA -0.066 4.235 4.320 -0.031 0.000 0.208 313 K C 0.101 176.681 176.600 -0.034 0.000 1.048 313 K CA 0.984 57.245 56.287 -0.043 0.000 0.928 313 K CB -0.222 32.258 32.500 -0.032 0.000 0.713 313 K HN 0.044 nan 8.250 nan 0.000 0.442 314 I N 2.323 122.869 120.570 -0.041 0.000 2.533 314 I HA -0.020 4.131 4.170 -0.031 0.000 0.284 314 I C 0.250 176.363 176.117 -0.007 0.000 1.109 314 I CA -0.178 61.122 61.300 -0.000 0.000 1.412 314 I CB 0.529 38.546 38.000 0.029 0.000 1.396 314 I HN 0.405 nan 8.210 nan 0.000 0.543 315 D N 3.399 123.813 120.400 0.022 0.000 2.666 315 D HA 0.209 4.830 4.640 -0.031 0.000 0.252 315 D C 1.021 177.353 176.300 0.053 0.000 1.143 315 D CA -0.420 53.588 54.000 0.013 0.000 1.096 315 D CB 0.314 41.116 40.800 0.003 0.000 1.260 315 D HN 0.321 nan 8.370 nan 0.000 0.633 316 S N -0.871 114.855 115.700 0.043 0.000 2.392 316 S HA -0.147 4.304 4.470 -0.031 0.000 0.225 316 S C 2.139 176.831 174.600 0.153 0.000 1.041 316 S CA 2.466 60.717 58.200 0.085 0.000 1.100 316 S CB -1.440 61.788 63.200 0.045 0.000 1.029 316 S HN 0.686 nan 8.310 nan 0.000 0.424 317 G N 1.251 110.133 108.800 0.136 0.000 2.422 317 G HA2 -0.038 3.904 3.960 -0.031 0.000 0.218 317 G HA3 -0.038 3.904 3.960 -0.031 0.000 0.218 317 G C 1.583 176.544 174.900 0.101 0.000 1.146 317 G CA 0.826 46.013 45.100 0.144 0.000 0.769 317 G HN 0.505 nan 8.290 nan 0.000 0.547 318 L N -0.937 120.335 121.223 0.083 0.000 2.046 318 L HA -0.078 4.243 4.340 -0.031 0.000 0.208 318 L C 2.560 179.477 176.870 0.079 0.000 1.077 318 L CA 1.419 56.296 54.840 0.062 0.000 0.747 318 L CB -0.506 41.588 42.059 0.059 0.000 0.896 318 L HN 0.337 nan 8.230 nan 0.000 0.432 319 Y N 0.687 120.989 120.300 0.003 0.000 2.097 319 Y HA -0.288 4.242 4.550 -0.033 0.000 0.282 319 Y C 2.469 178.329 175.900 -0.067 0.000 1.152 319 Y CA 1.698 59.793 58.100 -0.007 0.000 1.136 319 Y CB -0.205 38.257 38.460 0.003 0.000 0.975 319 Y HN -0.008 nan 8.280 nan 0.000 0.498 320 L N -0.720 120.521 121.223 0.030 0.000 2.005 320 L HA 0.057 4.378 4.340 -0.031 0.000 0.207 320 L C 1.388 178.167 176.870 -0.151 0.000 1.072 320 L CA 1.153 55.897 54.840 -0.160 0.000 0.744 320 L CB -1.142 40.925 42.059 0.013 0.000 0.895 320 L HN 0.575 nan 8.230 nan 0.000 0.433 321 G N -1.359 107.425 108.800 -0.028 0.000 2.498 321 G HA2 -0.230 3.712 3.960 -0.031 0.000 0.651 321 G HA3 -0.230 3.712 3.960 -0.031 0.000 0.651 321 G C 0.248 175.179 174.900 0.052 0.000 1.284 321 G CA -0.108 44.990 45.100 -0.002 0.000 0.950 321 G HN 0.084 nan 8.290 nan 0.000 0.511 322 S N -0.857 114.874 115.700 0.052 0.000 2.441 322 S HA 0.021 4.472 4.470 -0.031 0.000 0.224 322 S C 1.985 176.617 174.600 0.053 0.000 1.043 322 S CA 1.300 59.529 58.200 0.049 0.000 0.948 322 S CB -0.296 62.922 63.200 0.031 0.000 0.810 322 S HN 0.567 nan 8.310 nan 0.000 0.504 323 N N 0.455 119.201 118.700 0.077 0.000 2.058 323 N HA -0.109 4.612 4.740 -0.031 0.000 0.191 323 N C 1.537 177.095 175.510 0.081 0.000 1.037 323 N CA 1.629 54.731 53.050 0.086 0.000 0.848 323 N CB -0.686 37.891 38.487 0.150 0.000 1.021 323 N HN 0.516 nan 8.380 nan 0.000 0.422 324 Y N 1.773 122.051 120.300 -0.038 0.000 2.128 324 Y HA -0.119 4.412 4.550 -0.032 0.000 0.284 324 Y C 2.410 178.238 175.900 -0.120 0.000 1.154 324 Y CA 1.443 59.498 58.100 -0.074 0.000 1.149 324 Y CB -0.264 38.145 38.460 -0.084 0.000 0.976 324 Y HN 0.009 nan 8.280 nan 0.000 0.505 325 I N -1.098 119.528 120.570 0.094 0.000 2.286 325 I HA -0.328 3.823 4.170 -0.031 0.000 0.248 325 I C 2.168 178.200 176.117 -0.141 0.000 1.115 325 I CA 1.683 62.931 61.300 -0.088 0.000 1.392 325 I CB -0.608 37.408 38.000 0.027 0.000 1.065 325 I HN 0.197 nan 8.210 nan 0.000 0.418 326 T N 0.792 115.306 114.554 -0.067 0.000 2.759 326 T HA -0.206 4.126 4.350 -0.031 0.000 0.269 326 T C 1.993 176.616 174.700 -0.128 0.000 1.042 326 T CA 1.523 63.575 62.100 -0.080 0.000 1.140 326 T CB -0.251 68.591 68.868 -0.044 0.000 0.864 326 T HN 0.506 nan 8.240 nan 0.000 0.455 327 A N 1.013 123.728 122.820 -0.175 0.000 1.897 327 A HA 0.048 4.350 4.320 -0.031 0.000 0.215 327 A C 2.260 179.690 177.584 -0.256 0.000 1.181 327 A CA 0.962 52.861 52.037 -0.230 0.000 0.620 327 A CB -0.624 18.203 19.000 -0.287 0.000 0.821 327 A HN 0.524 nan 8.150 nan 0.000 0.443 328 I N -0.108 120.270 120.570 -0.319 0.000 2.127 328 I HA -0.337 3.814 4.170 -0.031 0.000 0.241 328 I C 2.742 178.752 176.117 -0.179 0.000 1.075 328 I CA 1.874 63.004 61.300 -0.285 0.000 1.334 328 I CB -0.516 37.213 38.000 -0.453 0.000 1.040 328 I HN 0.356 nan 8.210 nan 0.000 0.405 329 R N 1.192 121.593 120.500 -0.165 0.000 2.081 329 R HA -0.061 4.260 4.340 -0.031 0.000 0.235 329 R C 2.322 178.599 176.300 -0.038 0.000 1.131 329 R CA 1.433 57.493 56.100 -0.067 0.000 0.960 329 R CB -1.112 29.171 30.300 -0.029 0.000 0.856 329 R HN 0.405 nan 8.270 nan 0.000 0.436 330 G N 0.975 109.740 108.800 -0.057 0.000 2.708 330 G HA2 -0.101 3.841 3.960 -0.031 0.000 0.210 330 G HA3 -0.101 3.841 3.960 -0.031 0.000 0.210 330 G C 1.275 176.213 174.900 0.063 0.000 1.141 330 G CA 0.212 45.297 45.100 -0.025 0.000 0.788 330 G HN 0.150 nan 8.290 nan 0.000 0.531 331 L N -0.394 120.857 121.223 0.048 0.000 2.408 331 L HA 0.234 4.555 4.340 -0.031 0.000 0.215 331 L C 1.604 178.649 176.870 0.292 0.000 1.081 331 L CA 0.207 55.125 54.840 0.129 0.000 0.840 331 L CB 0.256 42.300 42.059 -0.025 0.000 1.002 331 L HN 0.225 nan 8.230 nan 0.000 0.468 332 R N 0.140 120.721 120.500 0.134 0.000 2.681 332 R HA 0.460 4.781 4.340 -0.031 0.000 0.277 332 R C -0.939 175.374 176.300 0.022 0.000 1.563 332 R CA -0.146 56.007 56.100 0.090 0.000 1.673 332 R CB 0.834 31.179 30.300 0.075 0.000 1.258 332 R HN 0.086 nan 8.270 nan 0.000 0.650 333 E N 0.646 120.830 120.200 -0.026 0.000 2.445 333 E HA 0.280 4.611 4.350 -0.031 0.000 0.279 333 E C -1.136 175.368 176.600 -0.161 0.000 1.018 333 E CA -1.013 55.347 56.400 -0.067 0.000 0.816 333 E CB 2.450 32.127 29.700 -0.039 0.000 1.356 333 E HN 0.276 nan 8.360 nan 0.000 0.462 334 T N 1.000 115.466 114.554 -0.146 0.000 2.733 334 T HA 0.269 4.600 4.350 -0.031 0.000 0.294 334 T C 1.091 175.692 174.700 -0.166 0.000 0.956 334 T CA -0.030 61.958 62.100 -0.187 0.000 0.987 334 T CB 1.244 70.031 68.868 -0.135 0.000 0.920 334 T HN 0.611 nan 8.240 nan 0.000 0.470 335 A N 3.005 125.703 122.820 -0.205 0.000 2.183 335 A HA -0.147 4.154 4.320 -0.031 0.000 0.224 335 A C 2.268 179.789 177.584 -0.106 0.000 1.169 335 A CA 2.041 53.993 52.037 -0.140 0.000 0.674 335 A CB -0.946 17.974 19.000 -0.134 0.000 0.812 335 A HN 0.991 nan 8.150 nan 0.000 0.481 336 A N -0.094 122.664 122.820 -0.103 0.000 1.819 336 A HA -0.106 4.196 4.320 -0.031 0.000 0.215 336 A C 1.744 179.285 177.584 -0.071 0.000 1.226 336 A CA 1.411 53.401 52.037 -0.079 0.000 0.608 336 A CB -0.834 18.120 19.000 -0.076 0.000 0.877 336 A HN 0.561 nan 8.150 nan 0.000 0.452 337 E N -0.262 119.897 120.200 -0.069 0.000 2.187 337 E HA -0.184 4.147 4.350 -0.031 0.000 0.199 337 E C 1.817 178.378 176.600 -0.064 0.000 1.004 337 E CA 1.467 57.831 56.400 -0.059 0.000 0.813 337 E CB -0.465 29.204 29.700 -0.052 0.000 0.736 337 E HN 0.348 nan 8.360 nan 0.000 0.468 338 V N 0.789 120.656 119.914 -0.077 0.000 2.358 338 V HA -0.218 3.884 4.120 -0.031 0.000 0.246 338 V C 2.209 178.245 176.094 -0.097 0.000 1.047 338 V CA 2.024 64.273 62.300 -0.086 0.000 1.035 338 V CB -0.287 31.481 31.823 -0.091 0.000 0.658 338 V HN 0.186 nan 8.190 nan 0.000 0.452 339 E N -0.383 119.761 120.200 -0.093 0.000 2.435 339 E HA -0.064 4.267 4.350 -0.031 0.000 0.195 339 E C 1.822 178.372 176.600 -0.083 0.000 1.029 339 E CA 0.231 56.573 56.400 -0.097 0.000 0.865 339 E CB -0.042 29.602 29.700 -0.093 0.000 0.833 339 E HN 0.470 nan 8.360 nan 0.000 0.510 340 L N 0.105 121.288 121.223 -0.066 0.000 2.056 340 L HA -0.056 4.265 4.340 -0.031 0.000 0.207 340 L C 2.318 179.155 176.870 -0.056 0.000 1.078 340 L CA 1.405 56.213 54.840 -0.052 0.000 0.749 340 L CB -0.109 41.925 42.059 -0.041 0.000 0.901 340 L HN 0.010 nan 8.230 nan 0.000 0.433 341 R N -0.913 119.549 120.500 -0.062 0.000 2.073 341 R HA -0.051 4.270 4.340 -0.031 0.000 0.229 341 R C 2.398 178.644 176.300 -0.091 0.000 1.120 341 R CA 0.975 57.039 56.100 -0.059 0.000 0.967 341 R CB -0.255 30.014 30.300 -0.051 0.000 0.862 341 R HN 0.095 nan 8.270 nan 0.000 0.436 342 R N 0.030 120.454 120.500 -0.126 0.000 2.096 342 R HA -0.092 4.230 4.340 -0.031 0.000 0.240 342 R C 1.951 178.049 176.300 -0.338 0.000 1.139 342 R CA 1.860 57.844 56.100 -0.193 0.000 0.952 342 R CB -0.756 29.428 30.300 -0.193 0.000 0.854 342 R HN 0.366 nan 8.270 nan 0.000 0.436 343 A N 1.081 123.739 122.820 -0.270 0.000 1.903 343 A HA -0.067 4.235 4.320 -0.031 0.000 0.213 343 A C 1.205 178.872 177.584 0.139 0.000 1.185 343 A CA 0.524 52.393 52.037 -0.280 0.000 0.628 343 A CB -0.160 18.800 19.000 -0.066 0.000 0.830 343 A HN 0.417 nan 8.150 nan 0.000 0.446 344 Q N 0.127 119.986 119.800 0.098 0.000 2.226 344 Q HA 0.538 4.859 4.340 -0.031 0.000 0.256 344 Q C -1.483 174.587 176.000 0.117 0.000 0.962 344 Q CA -0.611 55.275 55.803 0.138 0.000 0.887 344 Q CB 1.572 30.330 28.738 0.034 0.000 1.282 344 Q HN 0.072 nan 8.270 nan 0.000 0.449 345 V N 2.906 122.873 119.914 0.089 0.000 2.385 345 V HA 0.182 4.284 4.120 -0.031 0.000 0.269 345 V C 0.041 176.165 176.094 0.049 0.000 1.043 345 V CA -0.630 61.724 62.300 0.090 0.000 0.906 345 V CB 1.128 33.028 31.823 0.128 0.000 0.995 345 V HN 0.612 nan 8.190 nan 0.000 0.467 346 V N 5.369 125.307 119.914 0.040 0.000 2.498 346 V HA 0.261 4.362 4.120 -0.031 0.000 0.279 346 V C -0.233 175.899 176.094 0.063 0.000 1.048 346 V CA -0.448 61.868 62.300 0.026 0.000 0.967 346 V CB 1.500 33.320 31.823 -0.006 0.000 0.988 346 V HN 0.891 nan 8.190 nan 0.000 0.473 347 W N 6.073 127.309 121.300 -0.107 0.000 2.294 347 W HA 0.309 4.950 4.660 -0.031 0.000 0.314 347 W C 0.004 176.491 176.519 -0.053 0.000 1.044 347 W CA -0.998 56.298 57.345 -0.081 0.000 1.284 347 W CB 1.422 30.816 29.460 -0.111 0.000 1.231 347 W HN 0.645 nan 8.180 nan 0.000 0.419 348 c N 5.964 124.368 118.600 -0.326 0.000 2.634 348 c HA 0.497 5.049 4.570 -0.031 0.000 0.418 348 c C 0.616 174.662 174.090 -0.073 0.000 1.373 348 c CA 0.311 56.530 56.329 -0.183 0.000 1.756 348 c CB -1.083 41.301 42.510 -0.209 0.000 2.589 348 c HN 0.623 nan 8.230 nan 0.000 0.602 349 A N 5.234 128.081 122.820 0.045 0.000 2.356 349 A HA 0.780 5.082 4.320 -0.031 0.000 0.323 349 A C -0.835 176.775 177.584 0.043 0.000 1.119 349 A CA -0.449 51.662 52.037 0.123 0.000 0.790 349 A CB 1.244 20.328 19.000 0.141 0.000 1.273 349 A HN 0.937 nan 8.150 nan 0.000 0.452 350 V N 1.308 121.246 119.914 0.040 0.000 2.417 350 V HA 0.739 4.841 4.120 -0.031 0.000 0.291 350 V C 0.833 176.941 176.094 0.023 0.000 1.024 350 V CA 0.293 62.598 62.300 0.009 0.000 0.861 350 V CB 0.195 32.004 31.823 -0.024 0.000 0.985 350 V HN 2.228 nan 8.190 nan 0.000 0.436 351 G N 3.602 112.411 108.800 0.014 0.000 2.888 351 G HA2 -0.186 3.755 3.960 -0.031 0.000 0.441 351 G HA3 -0.186 3.755 3.960 -0.031 0.000 0.441 351 G C 0.741 175.658 174.900 0.028 0.000 1.461 351 G CA 0.125 45.236 45.100 0.019 0.000 0.897 351 G HN 0.955 nan 8.290 nan 0.000 0.547 352 S N -0.758 114.957 115.700 0.025 0.000 2.406 352 S HA -0.053 4.398 4.470 -0.031 0.000 0.228 352 S C 1.854 176.476 174.600 0.036 0.000 1.020 352 S CA 2.233 60.449 58.200 0.027 0.000 0.965 352 S CB -0.269 62.943 63.200 0.020 0.000 0.798 352 S HN 0.644 nan 8.310 nan 0.000 0.488 353 D N 0.423 120.848 120.400 0.041 0.000 2.305 353 D HA 0.057 4.679 4.640 -0.031 0.000 0.206 353 D C 1.718 178.058 176.300 0.066 0.000 0.974 353 D CA 0.352 54.382 54.000 0.049 0.000 0.871 353 D CB -0.148 40.679 40.800 0.045 0.000 0.947 353 D HN 0.397 nan 8.370 nan 0.000 0.516 354 E N 0.549 120.791 120.200 0.070 0.000 2.106 354 E HA -0.211 4.120 4.350 -0.031 0.000 0.192 354 E C 1.953 178.611 176.600 0.098 0.000 0.984 354 E CA 0.693 57.148 56.400 0.092 0.000 0.806 354 E CB 0.101 29.853 29.700 0.087 0.000 0.750 354 E HN 0.268 nan 8.360 nan 0.000 0.458 355 Q N 0.174 120.016 119.800 0.071 0.000 2.002 355 Q HA -0.204 4.117 4.340 -0.031 0.000 0.204 355 Q C 2.140 178.172 176.000 0.053 0.000 0.988 355 Q CA 1.830 57.669 55.803 0.059 0.000 0.843 355 Q CB -0.080 28.681 28.738 0.038 0.000 0.908 355 Q HN 0.327 nan 8.270 nan 0.000 0.420 356 L N -0.111 121.140 121.223 0.048 0.000 2.395 356 L HA 0.013 4.334 4.340 -0.031 0.000 0.218 356 L C 2.389 179.289 176.870 0.050 0.000 1.130 356 L CA 0.916 55.779 54.840 0.038 0.000 0.826 356 L CB -0.399 41.679 42.059 0.032 0.000 0.941 356 L HN 0.056 nan 8.230 nan 0.000 0.451 357 K N 0.155 120.607 120.400 0.087 0.000 2.167 357 K HA -0.140 4.162 4.320 -0.031 0.000 0.203 357 K C 2.201 178.867 176.600 0.111 0.000 1.052 357 K CA 1.284 57.653 56.287 0.136 0.000 0.956 357 K CB -0.104 32.514 32.500 0.197 0.000 0.735 357 K HN 0.436 nan 8.250 nan 0.000 0.451 358 C N 1.659 121.028 119.300 0.115 0.000 2.485 358 C HA 0.066 4.507 4.460 -0.031 0.000 0.277 358 C C 2.412 177.391 174.990 -0.018 0.000 1.376 358 C CA 0.552 59.639 59.018 0.115 0.000 1.759 358 C CB -0.532 27.284 27.740 0.127 0.000 1.970 358 C HN 0.590 nan 8.230 nan 0.000 0.509 359 Q N 0.407 120.196 119.800 -0.019 0.000 2.378 359 Q HA -0.055 4.266 4.340 -0.031 0.000 0.205 359 Q C 1.731 177.673 176.000 -0.098 0.000 0.954 359 Q CA 1.460 57.230 55.803 -0.056 0.000 0.901 359 Q CB -0.297 28.422 28.738 -0.030 0.000 0.981 359 Q HN 0.645 nan 8.270 nan 0.000 0.483 360 E N 0.713 120.837 120.200 -0.127 0.000 2.072 360 E HA -0.163 4.168 4.350 -0.031 0.000 0.190 360 E C 1.308 177.612 176.600 -0.493 0.000 0.982 360 E CA 1.234 57.491 56.400 -0.238 0.000 0.803 360 E CB -0.314 29.280 29.700 -0.178 0.000 0.755 360 E HN 0.588 nan 8.360 nan 0.000 0.453 361 W N 0.714 121.486 121.300 -0.881 0.000 2.409 361 W HA 0.062 4.704 4.660 -0.030 0.000 0.299 361 W C 2.322 178.643 176.519 -0.329 0.000 1.203 361 W CA 1.384 58.179 57.345 -0.917 0.000 1.298 361 W CB -0.984 28.065 29.460 -0.686 0.000 1.127 361 W HN 0.043 nan 8.180 nan 0.000 0.528 362 S N 0.570 116.123 115.700 -0.246 0.000 2.377 362 S HA -0.289 4.162 4.470 -0.031 0.000 0.224 362 S C 1.983 176.514 174.600 -0.115 0.000 1.042 362 S CA 2.523 60.585 58.200 -0.229 0.000 1.086 362 S CB -0.302 62.799 63.200 -0.166 0.000 0.995 362 S HN 0.392 nan 8.310 nan 0.000 0.428 363 R N 0.353 120.801 120.500 -0.087 0.000 2.081 363 R HA -0.028 4.294 4.340 -0.031 0.000 0.235 363 R C 2.521 178.825 176.300 0.008 0.000 1.131 363 R CA 1.159 57.235 56.100 -0.041 0.000 0.960 363 R CB -0.450 29.827 30.300 -0.039 0.000 0.856 363 R HN 0.297 nan 8.270 nan 0.000 0.436 364 Q N 1.054 120.855 119.800 0.002 0.000 2.096 364 Q HA -0.126 4.195 4.340 -0.031 0.000 0.204 364 Q C 2.203 178.425 176.000 0.369 0.000 0.982 364 Q CA 2.353 58.233 55.803 0.128 0.000 0.850 364 Q CB -0.297 28.394 28.738 -0.079 0.000 0.901 364 Q HN 0.472 nan 8.270 nan 0.000 0.422 365 S N -0.189 115.683 115.700 0.287 0.000 2.561 365 S HA -0.013 4.438 4.470 -0.031 0.000 0.225 365 S C 0.238 174.866 174.600 0.046 0.000 0.977 365 S CA 0.322 58.621 58.200 0.164 0.000 0.926 365 S CB -0.038 63.178 63.200 0.027 0.000 0.769 365 S HN 0.313 nan 8.310 nan 0.000 0.533 366 N N 2.197 120.924 118.700 0.044 0.000 2.746 366 N HA -0.140 4.582 4.740 -0.031 0.000 0.250 366 N C -0.659 174.841 175.510 -0.016 0.000 1.055 366 N CA 1.022 54.084 53.050 0.020 0.000 0.699 366 N CB -1.809 36.702 38.487 0.040 0.000 0.919 366 N HN 0.578 nan 8.380 nan 0.000 0.548 367 Q N -3.746 116.028 119.800 -0.044 0.000 2.435 367 Q HA -0.233 4.088 4.340 -0.031 0.000 0.286 367 Q C 0.441 176.394 176.000 -0.079 0.000 1.229 367 Q CA 1.453 57.215 55.803 -0.070 0.000 0.884 367 Q CB -2.694 26.015 28.738 -0.049 0.000 1.245 367 Q HN 0.741 nan 8.270 nan 0.000 0.488 368 S N -2.169 113.470 115.700 -0.100 0.000 2.535 368 S HA 0.285 4.736 4.470 -0.031 0.000 0.214 368 S C 0.830 175.348 174.600 -0.137 0.000 0.980 368 S CA 0.047 58.196 58.200 -0.085 0.000 0.907 368 S CB 0.879 64.039 63.200 -0.066 0.000 0.790 368 S HN 0.217 nan 8.310 nan 0.000 0.510 369 V N 2.969 122.725 119.914 -0.264 0.000 2.495 369 V HA 0.594 4.696 4.120 -0.031 0.000 0.298 369 V C -0.075 175.838 176.094 -0.302 0.000 1.031 369 V CA -0.854 61.211 62.300 -0.392 0.000 0.871 369 V CB 1.586 32.834 31.823 -0.958 0.000 0.988 369 V HN 0.249 nan 8.190 nan 0.000 0.432 370 V N 1.231 121.045 119.914 -0.168 0.000 3.166 370 V HA 0.651 4.752 4.120 -0.031 0.000 0.317 370 V C -0.362 175.706 176.094 -0.043 0.000 1.136 370 V CA -0.849 61.391 62.300 -0.100 0.000 1.035 370 V CB 1.979 33.770 31.823 -0.055 0.000 1.110 370 V HN 0.827 nan 8.190 nan 0.000 0.450 371 C N 2.084 121.372 119.300 -0.021 0.000 2.321 371 C HA 0.841 5.282 4.460 -0.031 0.000 0.323 371 C C 0.634 175.633 174.990 0.015 0.000 1.191 371 C CA -0.151 58.880 59.018 0.022 0.000 1.455 371 C CB -0.420 27.326 27.740 0.009 0.000 2.083 371 C HN 1.196 nan 8.230 nan 0.000 0.442 372 A N 3.393 126.223 122.820 0.016 0.000 2.293 372 A HA 0.835 5.137 4.320 -0.031 0.000 0.302 372 A C 0.128 177.714 177.584 0.004 0.000 1.119 372 A CA -0.135 51.901 52.037 -0.003 0.000 0.823 372 A CB 0.808 19.795 19.000 -0.022 0.000 1.097 372 A HN 0.832 nan 8.150 nan 0.000 0.491 373 T N -0.397 114.155 114.554 -0.003 0.000 2.916 373 T HA 0.678 5.009 4.350 -0.031 0.000 0.298 373 T C -0.503 174.187 174.700 -0.017 0.000 1.031 373 T CA 0.151 62.251 62.100 -0.001 0.000 0.993 373 T CB 1.234 70.109 68.868 0.012 0.000 1.045 373 T HN 1.677 nan 8.240 nan 0.000 0.454 374 A N 2.103 124.907 122.820 -0.027 0.000 2.330 374 A HA 0.705 5.006 4.320 -0.031 0.000 0.329 374 A C 1.290 178.857 177.584 -0.028 0.000 1.135 374 A CA -0.137 51.879 52.037 -0.035 0.000 0.817 374 A CB 1.207 20.174 19.000 -0.056 0.000 1.269 374 A HN 1.391 nan 8.150 nan 0.000 0.469 375 S N -0.522 115.162 115.700 -0.027 0.000 2.527 375 S HA 0.182 4.633 4.470 -0.031 0.000 0.222 375 S C 0.768 175.352 174.600 -0.026 0.000 0.985 375 S CA 1.078 59.266 58.200 -0.020 0.000 0.921 375 S CB -0.413 62.778 63.200 -0.015 0.000 0.772 375 S HN 1.534 nan 8.310 nan 0.000 0.529 376 T N -1.548 112.980 114.554 -0.043 0.000 2.754 376 T HA 0.392 4.723 4.350 -0.031 0.000 0.296 376 T C 0.814 175.448 174.700 -0.110 0.000 1.205 376 T CA 0.107 62.170 62.100 -0.061 0.000 1.009 376 T CB 0.970 69.809 68.868 -0.049 0.000 1.368 376 T HN -0.072 nan 8.240 nan 0.000 0.509 377 T N 0.971 115.423 114.554 -0.170 0.000 2.746 377 T HA -0.047 4.285 4.350 -0.031 0.000 0.267 377 T C 1.669 176.162 174.700 -0.345 0.000 1.039 377 T CA 1.807 63.714 62.100 -0.322 0.000 1.142 377 T CB -0.331 68.217 68.868 -0.534 0.000 0.866 377 T HN 0.646 nan 8.240 nan 0.000 0.444 378 E N 0.600 120.650 120.200 -0.250 0.000 2.047 378 E HA -0.148 4.183 4.350 -0.031 0.000 0.191 378 E C 1.944 178.486 176.600 -0.097 0.000 0.987 378 E CA 1.216 57.535 56.400 -0.136 0.000 0.799 378 E CB -0.079 29.605 29.700 -0.026 0.000 0.752 378 E HN 0.418 nan 8.360 nan 0.000 0.449 379 D N -0.077 120.274 120.400 -0.081 0.000 2.219 379 D HA -0.116 4.506 4.640 -0.031 0.000 0.205 379 D C 1.853 178.106 176.300 -0.078 0.000 0.970 379 D CA 0.463 54.425 54.000 -0.063 0.000 0.851 379 D CB -0.406 40.364 40.800 -0.049 0.000 0.943 379 D HN 0.173 nan 8.370 nan 0.000 0.488 380 c N 0.281 118.817 118.600 -0.107 0.000 2.442 380 c HA -0.073 4.478 4.570 -0.031 0.000 0.279 380 c C 2.766 176.777 174.090 -0.131 0.000 1.237 380 c CA 0.159 56.413 56.329 -0.124 0.000 1.722 380 c CB -0.905 41.508 42.510 -0.162 0.000 2.056 380 c HN 0.322 nan 8.230 nan 0.000 0.469 381 I N 1.415 121.898 120.570 -0.145 0.000 2.127 381 I HA -0.251 3.900 4.170 -0.031 0.000 0.241 381 I C 2.761 178.825 176.117 -0.088 0.000 1.075 381 I CA 1.835 63.060 61.300 -0.125 0.000 1.334 381 I CB -0.733 37.199 38.000 -0.114 0.000 1.040 381 I HN 0.311 nan 8.210 nan 0.000 0.405 382 A N 0.806 123.585 122.820 -0.068 0.000 1.978 382 A HA -0.188 4.113 4.320 -0.031 0.000 0.220 382 A C 2.350 179.909 177.584 -0.041 0.000 1.170 382 A CA 1.474 53.485 52.037 -0.044 0.000 0.636 382 A CB -0.849 18.133 19.000 -0.030 0.000 0.810 382 A HN 0.405 nan 8.150 nan 0.000 0.448 383 L N -0.485 120.706 121.223 -0.053 0.000 1.989 383 L HA -0.197 4.125 4.340 -0.031 0.000 0.211 383 L C 2.779 179.619 176.870 -0.051 0.000 1.071 383 L CA 1.852 56.663 54.840 -0.047 0.000 0.749 383 L CB -0.578 41.444 42.059 -0.061 0.000 0.890 383 L HN 0.460 nan 8.230 nan 0.000 0.431 384 V N -0.679 119.188 119.914 -0.078 0.000 2.407 384 V HA -0.262 3.840 4.120 -0.031 0.000 0.248 384 V C 2.281 178.344 176.094 -0.052 0.000 1.055 384 V CA 1.608 63.860 62.300 -0.081 0.000 1.049 384 V CB -0.404 31.346 31.823 -0.122 0.000 0.662 384 V HN 0.369 nan 8.190 nan 0.000 0.455 385 L N 0.856 122.050 121.223 -0.048 0.000 2.079 385 L HA -0.143 4.178 4.340 -0.031 0.000 0.210 385 L C 2.512 179.378 176.870 -0.006 0.000 1.081 385 L CA 2.322 57.144 54.840 -0.030 0.000 0.752 385 L CB -0.589 41.451 42.059 -0.031 0.000 0.896 385 L HN 0.552 nan 8.230 nan 0.000 0.433 386 K N -0.230 120.171 120.400 0.002 0.000 2.570 386 K HA 0.258 4.559 4.320 -0.031 0.000 0.210 386 K C 0.952 177.573 176.600 0.035 0.000 1.048 386 K CA 0.522 56.827 56.287 0.030 0.000 1.167 386 K CB 0.537 33.066 32.500 0.047 0.000 0.892 386 K HN 0.163 nan 8.250 nan 0.000 0.480 387 G N 1.760 110.568 108.800 0.013 0.000 2.155 387 G HA2 -0.335 3.607 3.960 -0.031 0.000 0.257 387 G HA3 -0.335 3.607 3.960 -0.031 0.000 0.257 387 G C 0.529 175.434 174.900 0.008 0.000 0.983 387 G CA 0.740 45.847 45.100 0.011 0.000 0.676 387 G HN 0.550 nan 8.290 nan 0.000 0.528 388 E N -0.174 120.027 120.200 0.003 0.000 2.442 388 E HA 0.524 4.855 4.350 -0.031 0.000 0.195 388 E C 1.095 177.682 176.600 -0.022 0.000 1.030 388 E CA 0.865 57.263 56.400 -0.002 0.000 0.869 388 E CB 0.140 29.840 29.700 0.000 0.000 0.857 388 E HN 1.044 nan 8.360 nan 0.000 0.505 389 A N -0.144 122.653 122.820 -0.039 0.000 2.589 389 A HA 0.276 4.577 4.320 -0.031 0.000 0.296 389 A C -0.746 176.785 177.584 -0.087 0.000 1.062 389 A CA -0.741 51.256 52.037 -0.066 0.000 0.686 389 A CB 1.177 20.123 19.000 -0.091 0.000 1.282 389 A HN 0.041 nan 8.150 nan 0.000 0.404 390 D N 0.333 120.673 120.400 -0.100 0.000 2.380 390 D HA 0.389 5.011 4.640 -0.031 0.000 0.212 390 D C 0.731 176.921 176.300 -0.183 0.000 1.021 390 D CA 1.366 55.311 54.000 -0.092 0.000 0.884 390 D CB 0.926 41.713 40.800 -0.022 0.000 1.001 390 D HN 0.809 nan 8.370 nan 0.000 0.506 391 A N 0.431 123.038 122.820 -0.354 0.000 2.594 391 A HA 0.687 4.988 4.320 -0.031 0.000 0.291 391 A C -1.988 174.942 177.584 -1.090 0.000 1.105 391 A CA -0.503 51.127 52.037 -0.679 0.000 0.694 391 A CB 2.163 20.688 19.000 -0.792 0.000 1.291 391 A HN 0.044 nan 8.150 nan 0.000 0.410 392 L N -0.028 120.572 121.223 -1.038 0.000 2.902 392 L HA 0.447 4.768 4.340 -0.031 0.000 0.261 392 L C -0.542 176.135 176.870 -0.321 0.000 0.928 392 L CA 0.211 54.629 54.840 -0.703 0.000 1.024 392 L CB 1.821 43.624 42.059 -0.427 0.000 1.629 392 L HN 0.780 nan 8.230 nan 0.000 0.478 393 S N 5.078 120.711 115.700 -0.113 0.000 2.416 393 S HA 0.664 5.116 4.470 -0.031 0.000 0.302 393 S C -0.494 174.141 174.600 0.059 0.000 1.120 393 S CA -0.286 57.951 58.200 0.062 0.000 1.067 393 S CB -0.385 62.860 63.200 0.075 0.000 1.057 393 S HN 0.514 nan 8.310 nan 0.000 0.518 394 L N 4.022 125.277 121.223 0.053 0.000 2.334 394 L HA 0.497 4.819 4.340 -0.031 0.000 0.273 394 L C 0.099 176.963 176.870 -0.009 0.000 1.013 394 L CA -1.175 53.677 54.840 0.019 0.000 0.816 394 L CB 1.859 43.924 42.059 0.010 0.000 1.278 394 L HN 0.646 nan 8.230 nan 0.000 0.431 395 D N 0.598 120.925 120.400 -0.122 0.000 2.363 395 D HA 0.080 4.701 4.640 -0.031 0.000 0.240 395 D C 1.288 177.582 176.300 -0.010 0.000 1.236 395 D CA -0.107 53.694 54.000 -0.332 0.000 0.927 395 D CB 0.648 41.304 40.800 -0.239 0.000 1.150 395 D HN 0.606 nan 8.370 nan 0.000 0.458 396 G N -0.504 108.320 108.800 0.039 0.000 2.462 396 G HA2 -0.174 3.767 3.960 -0.031 0.000 0.220 396 G HA3 -0.174 3.767 3.960 -0.031 0.000 0.220 396 G C 1.378 176.452 174.900 0.291 0.000 1.121 396 G CA 0.535 45.733 45.100 0.164 0.000 0.758 396 G HN 0.616 nan 8.290 nan 0.000 0.559 397 G N -0.679 108.232 108.800 0.185 0.000 2.453 397 G HA2 -0.037 3.904 3.960 -0.031 0.000 0.215 397 G HA3 -0.037 3.904 3.960 -0.031 0.000 0.215 397 G C 1.514 176.420 174.900 0.011 0.000 1.147 397 G CA 0.362 45.510 45.100 0.080 0.000 0.802 397 G HN 0.483 nan 8.290 nan 0.000 0.535 398 Y N 0.493 120.860 120.300 0.111 0.000 2.337 398 Y HA 0.129 4.660 4.550 -0.031 0.000 0.293 398 Y C 2.766 178.691 175.900 0.043 0.000 1.123 398 Y CA 0.071 58.204 58.100 0.055 0.000 1.201 398 Y CB 0.131 38.591 38.460 0.001 0.000 1.011 398 Y HN 0.057 nan 8.280 nan 0.000 0.545 399 I N -0.429 120.272 120.570 0.219 0.000 2.151 399 I HA -0.409 3.743 4.170 -0.031 0.000 0.243 399 I C 2.342 178.558 176.117 0.166 0.000 1.080 399 I CA 2.104 63.491 61.300 0.145 0.000 1.339 399 I CB -0.792 37.294 38.000 0.142 0.000 1.039 399 I HN 0.344 nan 8.210 nan 0.000 0.409 400 Y N 1.858 122.260 120.300 0.171 0.000 2.114 400 Y HA -0.207 4.324 4.550 -0.031 0.000 0.284 400 Y C 2.522 178.403 175.900 -0.033 0.000 1.143 400 Y CA 1.606 59.812 58.100 0.176 0.000 1.135 400 Y CB -0.434 38.212 38.460 0.310 0.000 0.980 400 Y HN -0.042 nan 8.280 nan 0.000 0.499 401 I N 0.883 121.352 120.570 -0.168 0.000 2.145 401 I HA -0.425 3.726 4.170 -0.031 0.000 0.244 401 I C 2.774 178.755 176.117 -0.227 0.000 1.075 401 I CA 1.464 62.626 61.300 -0.229 0.000 1.332 401 I CB -0.988 37.043 38.000 0.051 0.000 1.033 401 I HN 0.477 nan 8.210 nan 0.000 0.410 402 A N 0.934 123.684 122.820 -0.116 0.000 1.873 402 A HA -0.224 4.077 4.320 -0.031 0.000 0.218 402 A C 2.397 179.796 177.584 -0.308 0.000 1.193 402 A CA 2.325 54.270 52.037 -0.154 0.000 0.629 402 A CB -1.520 17.433 19.000 -0.078 0.000 0.826 402 A HN 0.498 nan 8.150 nan 0.000 0.447 403 G N -1.530 106.948 108.800 -0.537 0.000 2.572 403 G HA2 -0.074 3.867 3.960 -0.031 0.000 0.216 403 G HA3 -0.074 3.867 3.960 -0.031 0.000 0.216 403 G C 1.536 175.752 174.900 -1.141 0.000 1.133 403 G CA 0.716 45.237 45.100 -0.965 0.000 0.791 403 G HN 0.394 nan 8.290 nan 0.000 0.538 404 K N -0.034 119.793 120.400 -0.956 0.000 2.228 404 K HA 0.033 4.335 4.320 -0.031 0.000 0.202 404 K C 1.552 177.958 176.600 -0.322 0.000 1.051 404 K CA 0.316 56.254 56.287 -0.582 0.000 0.960 404 K CB -0.174 31.980 32.500 -0.577 0.000 0.743 404 K HN 0.298 nan 8.250 nan 0.000 0.458 405 c N 0.849 119.285 118.600 -0.274 0.000 2.559 405 c HA 0.251 4.802 4.570 -0.031 0.000 0.300 405 c C 1.361 175.380 174.090 -0.118 0.000 1.288 405 c CA 0.162 56.398 56.329 -0.155 0.000 1.699 405 c CB -1.078 41.361 42.510 -0.117 0.000 1.819 405 c HN 0.694 nan 8.230 nan 0.000 0.600 406 G N 0.090 108.812 108.800 -0.131 0.000 2.175 406 G HA2 -0.178 3.764 3.960 -0.031 0.000 0.244 406 G HA3 -0.178 3.764 3.960 -0.031 0.000 0.244 406 G C -0.192 174.666 174.900 -0.070 0.000 0.982 406 G CA -0.240 44.819 45.100 -0.070 0.000 0.641 406 G HN 0.342 nan 8.290 nan 0.000 0.527 407 L N 0.489 121.647 121.223 -0.109 0.000 2.400 407 L HA 0.879 5.201 4.340 -0.031 0.000 0.264 407 L C 0.712 177.540 176.870 -0.070 0.000 1.061 407 L CA -1.363 53.423 54.840 -0.091 0.000 0.799 407 L CB 1.705 43.699 42.059 -0.108 0.000 1.240 407 L HN 0.598 nan 8.230 nan 0.000 0.461 408 V N -1.041 118.845 119.914 -0.046 0.000 2.932 408 V HA 0.546 4.647 4.120 -0.031 0.000 0.307 408 V C -2.723 173.347 176.094 -0.040 0.000 1.147 408 V CA -1.827 60.463 62.300 -0.016 0.000 0.951 408 V CB 1.750 33.578 31.823 0.008 0.000 1.031 408 V HN 0.644 nan 8.190 nan 0.000 0.426 409 P HA 0.233 nan 4.420 nan 0.000 0.270 409 P C 0.418 177.702 177.300 -0.027 0.000 1.242 409 P CA 0.267 63.280 63.100 -0.145 0.000 0.768 409 P CB 1.723 33.206 31.700 -0.362 0.000 0.820 410 V N 4.629 124.550 119.914 0.011 0.000 2.423 410 V HA 0.076 4.178 4.120 -0.031 0.000 0.233 410 V C 1.199 177.352 176.094 0.098 0.000 1.067 410 V CA 1.093 63.432 62.300 0.065 0.000 1.073 410 V CB -0.532 31.341 31.823 0.084 0.000 0.715 410 V HN 0.366 nan 8.190 nan 0.000 0.485 411 L N -0.254 121.048 121.223 0.132 0.000 2.381 411 L HA 0.776 5.097 4.340 -0.031 0.000 0.268 411 L C -0.412 176.576 176.870 0.196 0.000 0.997 411 L CA -0.560 54.376 54.840 0.159 0.000 0.818 411 L CB 1.858 44.022 42.059 0.174 0.000 1.310 411 L HN 0.245 nan 8.230 nan 0.000 0.416 412 A N 1.607 124.556 122.820 0.214 0.000 2.304 412 A HA 0.431 4.732 4.320 -0.031 0.000 0.301 412 A C -0.241 177.484 177.584 0.234 0.000 1.132 412 A CA -0.433 51.763 52.037 0.266 0.000 0.819 412 A CB 0.445 19.614 19.000 0.281 0.000 1.094 412 A HN 0.746 nan 8.150 nan 0.000 0.492 413 E N 1.645 122.005 120.200 0.267 0.000 1.865 413 E HA 0.141 4.473 4.350 -0.031 0.000 0.269 413 E C -0.437 176.239 176.600 0.125 0.000 1.177 413 E CA -0.034 56.503 56.400 0.228 0.000 0.932 413 E CB 0.494 30.363 29.700 0.281 0.000 1.066 413 E HN 0.497 nan 8.360 nan 0.000 0.405 414 S N 3.406 119.139 115.700 0.054 0.000 2.443 414 S HA -0.009 4.442 4.470 -0.031 0.000 0.284 414 S C 0.024 174.597 174.600 -0.046 0.000 1.206 414 S CA -0.427 57.775 58.200 0.003 0.000 1.074 414 S CB 0.416 63.599 63.200 -0.028 0.000 0.963 414 S HN 0.427 nan 8.310 nan 0.000 0.501 415 Q N 2.977 122.760 119.800 -0.028 0.000 2.337 415 Q HA 0.074 4.395 4.340 -0.031 0.000 0.270 415 Q C 1.497 177.448 176.000 -0.081 0.000 1.002 415 Q CA 0.211 55.981 55.803 -0.054 0.000 0.888 415 Q CB 0.658 29.379 28.738 -0.029 0.000 1.222 415 Q HN 0.853 nan 8.270 nan 0.000 0.400 416 Q N 1.388 121.124 119.800 -0.107 0.000 2.187 416 Q HA 0.040 4.361 4.340 -0.031 0.000 0.199 416 Q C -0.549 175.402 176.000 -0.082 0.000 0.957 416 Q CA 0.827 56.565 55.803 -0.107 0.000 0.857 416 Q CB 0.361 29.023 28.738 -0.127 0.000 0.929 416 Q HN 0.563 nan 8.270 nan 0.000 0.453 417 S N 1.734 117.388 115.700 -0.078 0.000 3.817 417 S HA -0.018 4.433 4.470 -0.031 0.000 0.752 417 S C -2.092 172.469 174.600 -0.065 0.000 0.479 417 S CA -0.030 58.126 58.200 -0.073 0.000 1.425 417 S CB -0.596 62.558 63.200 -0.078 0.000 0.808 417 S HN 0.378 nan 8.310 nan 0.000 1.047 418 P HA -0.307 nan 4.420 nan 0.000 0.219 418 P C 1.030 178.305 177.300 -0.041 0.000 1.043 418 P CA 2.319 65.393 63.100 -0.043 0.000 0.903 418 P CB 0.031 31.712 31.700 -0.031 0.000 0.621 419 E N -1.826 118.347 120.200 -0.044 0.000 2.098 419 E HA 0.219 4.550 4.350 -0.031 0.000 0.196 419 E C 0.208 176.782 176.600 -0.044 0.000 0.955 419 E CA 0.697 57.073 56.400 -0.040 0.000 0.936 419 E CB 0.039 29.717 29.700 -0.038 0.000 1.054 419 E HN -0.010 nan 8.360 nan 0.000 0.482 420 S N -1.147 114.525 115.700 -0.047 0.000 2.546 420 S HA 0.435 4.886 4.470 -0.031 0.000 0.272 420 S C -0.040 174.531 174.600 -0.050 0.000 1.140 420 S CA -0.590 57.582 58.200 -0.047 0.000 0.920 420 S CB 1.872 65.049 63.200 -0.039 0.000 1.083 420 S HN 0.018 nan 8.310 nan 0.000 0.476 421 S N 1.037 116.706 115.700 -0.052 0.000 2.691 421 S HA 0.601 5.052 4.470 -0.031 0.000 0.241 421 S C 1.202 175.776 174.600 -0.042 0.000 1.077 421 S CA 0.760 58.930 58.200 -0.052 0.000 0.900 421 S CB 0.330 63.492 63.200 -0.064 0.000 0.805 421 S HN 1.239 nan 8.310 nan 0.000 0.529 422 G N 1.172 109.948 108.800 -0.040 0.000 2.680 422 G HA2 -0.139 3.802 3.960 -0.031 0.000 0.222 422 G HA3 -0.139 3.802 3.960 -0.031 0.000 0.222 422 G C -0.293 174.588 174.900 -0.033 0.000 1.460 422 G CA 0.043 45.123 45.100 -0.032 0.000 1.275 422 G HN 1.084 nan 8.290 nan 0.000 0.506 423 L N -0.286 120.920 121.223 -0.028 0.000 3.695 423 L HA 0.774 5.096 4.340 -0.031 0.000 0.349 423 L C -0.761 176.099 176.870 -0.017 0.000 1.304 423 L CA 0.931 55.756 54.840 -0.025 0.000 1.078 423 L CB 0.849 42.898 42.059 -0.018 0.000 1.440 423 L HN 0.889 nan 8.230 nan 0.000 0.620 424 D N -1.176 119.215 120.400 -0.015 0.000 2.706 424 D HA 0.468 5.089 4.640 -0.031 0.000 0.227 424 D C -0.082 176.216 176.300 -0.004 0.000 1.233 424 D CA 0.151 54.152 54.000 0.002 0.000 0.768 424 D CB 1.398 42.218 40.800 0.033 0.000 1.490 424 D HN 0.189 nan 8.370 nan 0.000 0.458 425 c N 2.095 120.691 118.600 -0.008 0.000 4.304 425 c HA 0.304 4.856 4.570 -0.031 0.000 0.455 425 c C 1.917 175.990 174.090 -0.029 0.000 1.625 425 c CA 0.538 56.853 56.329 -0.024 0.000 2.132 425 c CB -0.605 41.866 42.510 -0.065 0.000 3.225 425 c HN 0.490 nan 8.230 nan 0.000 0.669 426 V N 2.009 121.890 119.914 -0.056 0.000 2.546 426 V HA -0.197 3.905 4.120 -0.031 0.000 0.254 426 V C 2.315 178.257 176.094 -0.254 0.000 1.076 426 V CA 2.662 64.840 62.300 -0.203 0.000 1.087 426 V CB -0.853 30.756 31.823 -0.356 0.000 0.674 426 V HN 0.713 nan 8.190 nan 0.000 0.470 427 H N -1.711 117.364 119.070 0.008 0.000 2.855 427 H HA 0.257 4.794 4.556 -0.031 0.000 0.259 427 H C 1.127 176.458 175.328 0.004 0.000 0.972 427 H CA -0.361 55.693 56.048 0.011 0.000 1.213 427 H CB 0.366 30.134 29.762 0.010 0.000 1.451 427 H HN 0.310 nan 8.280 nan 0.000 0.484 428 R N 2.992 123.534 120.500 0.070 0.000 2.446 428 R HA 0.064 4.386 4.340 -0.031 0.000 0.325 428 R C -2.141 174.169 176.300 0.017 0.000 0.997 428 R CA -1.406 54.712 56.100 0.032 0.000 1.010 428 R CB 0.070 30.376 30.300 0.010 0.000 0.946 428 R HN 0.113 nan 8.270 nan 0.000 0.422 429 P HA -0.198 nan 4.420 nan 0.000 0.277 429 P C -0.855 176.442 177.300 -0.005 0.000 1.276 429 P CA 0.313 63.416 63.100 0.005 0.000 0.870 429 P CB 0.394 32.092 31.700 -0.002 0.000 0.921 430 V N -0.249 119.656 119.914 -0.015 0.000 2.487 430 V HA 0.315 4.416 4.120 -0.031 0.000 0.298 430 V C 0.689 176.761 176.094 -0.037 0.000 1.028 430 V CA -0.541 61.748 62.300 -0.019 0.000 0.860 430 V CB 1.756 33.566 31.823 -0.020 0.000 0.991 430 V HN 0.440 nan 8.190 nan 0.000 0.427 431 K N 2.581 122.963 120.400 -0.030 0.000 2.878 431 K HA 0.663 4.964 4.320 -0.031 0.000 0.204 431 K C 0.749 177.330 176.600 -0.032 0.000 1.093 431 K CA 0.677 56.943 56.287 -0.036 0.000 1.250 431 K CB 0.218 32.700 32.500 -0.029 0.000 1.692 431 K HN 1.200 nan 8.250 nan 0.000 0.470 432 G N 0.699 109.507 108.800 0.013 0.000 2.484 432 G HA2 -0.076 3.865 3.960 -0.031 0.000 0.685 432 G HA3 -0.076 3.865 3.960 -0.031 0.000 0.685 432 G C -1.435 173.531 174.900 0.109 0.000 1.294 432 G CA -0.507 44.617 45.100 0.041 0.000 0.879 432 G HN 0.421 nan 8.290 nan 0.000 0.646 433 Y N 0.154 120.422 120.300 -0.054 0.000 2.341 433 Y HA 0.774 5.305 4.550 -0.031 0.000 0.337 433 Y C 0.120 176.006 175.900 -0.023 0.000 1.014 433 Y CA -1.657 56.409 58.100 -0.057 0.000 1.111 433 Y CB 1.318 39.734 38.460 -0.073 0.000 1.194 433 Y HN 0.469 nan 8.280 nan 0.000 0.462 434 L N 5.797 127.102 121.223 0.136 0.000 2.565 434 L HA 0.315 4.636 4.340 -0.031 0.000 0.275 434 L C 0.539 177.505 176.870 0.160 0.000 1.137 434 L CA 0.320 55.227 54.840 0.112 0.000 0.915 434 L CB -0.074 41.945 42.059 -0.066 0.000 1.232 434 L HN 0.838 nan 8.230 nan 0.000 0.473 435 A N 4.415 127.323 122.820 0.147 0.000 2.363 435 A HA 0.701 5.002 4.320 -0.031 0.000 0.270 435 A C -0.188 177.474 177.584 0.130 0.000 1.121 435 A CA -0.279 51.814 52.037 0.093 0.000 0.800 435 A CB 0.711 19.726 19.000 0.025 0.000 1.052 435 A HN 0.706 nan 8.150 nan 0.000 0.493 436 V N -1.371 118.639 119.914 0.160 0.000 3.120 436 V HA 0.892 4.993 4.120 -0.031 0.000 0.303 436 V C -0.439 175.796 176.094 0.235 0.000 1.238 436 V CA -0.318 62.077 62.300 0.158 0.000 1.008 436 V CB 1.425 33.329 31.823 0.134 0.000 1.064 436 V HN 1.900 nan 8.190 nan 0.000 0.434 437 A N 2.961 125.926 122.820 0.242 0.000 2.310 437 A HA 0.861 5.163 4.320 -0.031 0.000 0.304 437 A C -0.606 177.094 177.584 0.192 0.000 1.231 437 A CA -0.392 51.850 52.037 0.342 0.000 0.799 437 A CB 1.317 20.688 19.000 0.618 0.000 1.162 437 A HN 2.060 nan 8.150 nan 0.000 0.486 438 V N 4.320 124.285 119.914 0.085 0.000 2.630 438 V HA 0.839 4.940 4.120 -0.031 0.000 0.305 438 V C -0.256 175.872 176.094 0.057 0.000 1.046 438 V CA -0.166 62.184 62.300 0.085 0.000 0.934 438 V CB 1.831 33.700 31.823 0.076 0.000 1.003 438 V HN 1.197 nan 8.190 nan 0.000 0.451 439 V N 3.885 123.883 119.914 0.140 0.000 3.141 439 V HA 0.727 4.829 4.120 -0.031 0.000 0.312 439 V C -0.435 175.790 176.094 0.217 0.000 1.157 439 V CA -1.302 61.076 62.300 0.130 0.000 1.041 439 V CB 1.945 33.840 31.823 0.122 0.000 1.071 439 V HN 0.863 nan 8.190 nan 0.000 0.441 440 R N 0.790 121.360 120.500 0.116 0.000 2.368 440 R HA 0.379 4.700 4.340 -0.031 0.000 0.302 440 R C 0.528 176.821 176.300 -0.011 0.000 1.002 440 R CA -0.557 55.553 56.100 0.018 0.000 0.929 440 R CB 1.535 31.814 30.300 -0.035 0.000 1.073 440 R HN 0.846 nan 8.270 nan 0.000 0.464 441 K N 2.146 122.512 120.400 -0.056 0.000 2.525 441 K HA 0.012 4.313 4.320 -0.031 0.000 0.192 441 K C 0.998 177.577 176.600 -0.036 0.000 1.029 441 K CA 0.468 56.737 56.287 -0.030 0.000 1.029 441 K CB 0.255 32.736 32.500 -0.033 0.000 0.814 441 K HN 0.622 nan 8.250 nan 0.000 0.503 442 A N 0.646 123.435 122.820 -0.053 0.000 2.208 442 A HA 0.022 4.324 4.320 -0.031 0.000 0.209 442 A C 0.444 178.015 177.584 -0.021 0.000 1.161 442 A CA 0.187 52.199 52.037 -0.042 0.000 0.782 442 A CB -0.103 18.864 19.000 -0.055 0.000 0.816 442 A HN 0.176 nan 8.150 nan 0.000 0.477 443 N N 0.345 119.039 118.700 -0.011 0.000 2.443 443 N HA 0.305 5.027 4.740 -0.031 0.000 0.295 443 N C -0.434 175.086 175.510 0.017 0.000 1.076 443 N CA -0.025 53.029 53.050 0.006 0.000 0.919 443 N CB 1.464 39.960 38.487 0.016 0.000 1.176 443 N HN 0.406 nan 8.380 nan 0.000 0.487 444 D N -0.087 120.325 120.400 0.020 0.000 2.186 444 D HA -0.038 4.583 4.640 -0.031 0.000 0.316 444 D C 0.022 176.339 176.300 0.028 0.000 1.071 444 D CA -0.073 53.941 54.000 0.025 0.000 0.869 444 D CB 0.482 41.292 40.800 0.018 0.000 1.623 444 D HN 0.234 nan 8.370 nan 0.000 0.531 445 K N 2.107 122.521 120.400 0.023 0.000 2.127 445 K HA 0.392 4.693 4.320 -0.031 0.000 0.261 445 K C -0.777 175.844 176.600 0.036 0.000 1.129 445 K CA -0.062 56.239 56.287 0.023 0.000 0.993 445 K CB -0.558 31.950 32.500 0.013 0.000 1.410 445 K HN 0.214 nan 8.250 nan 0.000 0.380 446 I N 2.735 123.337 120.570 0.053 0.000 2.776 446 I HA -0.014 4.138 4.170 -0.031 0.000 0.281 446 I C -1.747 174.435 176.117 0.109 0.000 1.620 446 I CA 0.025 61.374 61.300 0.082 0.000 1.172 446 I CB 1.372 39.423 38.000 0.085 0.000 1.593 446 I HN 0.694 nan 8.210 nan 0.000 0.418 447 T N 5.972 120.605 114.554 0.133 0.000 2.883 447 T HA 0.366 4.697 4.350 -0.031 0.000 0.301 447 T C -0.825 174.030 174.700 0.258 0.000 1.158 447 T CA -0.350 61.857 62.100 0.179 0.000 1.007 447 T CB 1.983 70.931 68.868 0.134 0.000 1.186 447 T HN 0.525 nan 8.240 nan 0.000 0.499 448 W N 3.232 124.606 121.300 0.122 0.000 2.293 448 W HA 0.048 4.689 4.660 -0.031 0.000 0.342 448 W C 0.269 176.857 176.519 0.114 0.000 1.274 448 W CA 1.264 58.694 57.345 0.143 0.000 1.290 448 W CB -0.281 29.244 29.460 0.109 0.000 1.176 448 W HN 1.162 nan 8.180 nan 0.000 0.570 449 N N 0.425 118.908 118.700 -0.362 0.000 2.994 449 N HA -0.255 4.467 4.740 -0.031 0.000 0.221 449 N C 0.335 175.783 175.510 -0.103 0.000 0.900 449 N CA 1.163 54.090 53.050 -0.206 0.000 1.008 449 N CB -1.381 37.073 38.487 -0.056 0.000 1.053 449 N HN 0.326 nan 8.380 nan 0.000 0.580 450 S N -0.639 115.024 115.700 -0.061 0.000 2.952 450 S HA 0.414 4.865 4.470 -0.031 0.000 0.251 450 S C 0.620 175.184 174.600 -0.059 0.000 1.021 450 S CA -0.628 57.543 58.200 -0.049 0.000 1.067 450 S CB 0.204 63.404 63.200 0.000 0.000 1.002 450 S HN 0.276 nan 8.310 nan 0.000 0.574 451 L N 0.815 121.977 121.223 -0.101 0.000 2.416 451 L HA 0.394 4.716 4.340 -0.031 0.000 0.216 451 L C 1.525 178.179 176.870 -0.362 0.000 1.098 451 L CA -0.096 54.709 54.840 -0.058 0.000 0.840 451 L CB -0.014 42.132 42.059 0.145 0.000 0.981 451 L HN 0.291 nan 8.230 nan 0.000 0.462 452 R N 0.112 120.132 120.500 -0.800 0.000 2.623 452 R HA 0.260 4.581 4.340 -0.031 0.000 0.271 452 R C 0.999 177.058 176.300 -0.402 0.000 1.043 452 R CA 1.137 56.601 56.100 -1.059 0.000 1.083 452 R CB 0.442 30.101 30.300 -1.069 0.000 0.974 452 R HN 0.239 nan 8.270 nan 0.000 0.436 453 G N 3.111 111.784 108.800 -0.213 0.000 3.400 453 G HA2 -0.245 3.696 3.960 -0.031 0.000 0.209 453 G HA3 -0.245 3.696 3.960 -0.031 0.000 0.209 453 G C -0.503 174.455 174.900 0.097 0.000 1.411 453 G CA -0.055 45.020 45.100 -0.041 0.000 0.917 453 G HN 0.557 nan 8.290 nan 0.000 0.570 454 K N 1.749 122.248 120.400 0.165 0.000 2.323 454 K HA 0.232 4.533 4.320 -0.031 0.000 0.259 454 K C 0.670 177.394 176.600 0.206 0.000 0.993 454 K CA 0.430 56.839 56.287 0.202 0.000 0.866 454 K CB 0.114 32.742 32.500 0.213 0.000 0.997 454 K HN 0.564 nan 8.250 nan 0.000 0.524 455 K N 0.750 121.148 120.400 -0.002 0.000 2.118 455 K HA 0.297 4.598 4.320 -0.031 0.000 0.267 455 K C 0.130 176.458 176.600 -0.454 0.000 0.991 455 K CA -0.506 55.697 56.287 -0.140 0.000 0.916 455 K CB 1.191 33.620 32.500 -0.117 0.000 1.041 455 K HN 0.735 nan 8.250 nan 0.000 0.455 456 S N -0.426 114.928 115.700 -0.575 0.000 2.566 456 S HA 0.539 4.990 4.470 -0.031 0.000 0.298 456 S C -0.564 173.693 174.600 -0.571 0.000 1.083 456 S CA -0.888 56.820 58.200 -0.820 0.000 0.978 456 S CB 1.126 63.611 63.200 -1.192 0.000 1.073 456 S HN 0.589 nan 8.310 nan 0.000 0.491 457 c N 3.426 121.600 118.600 -0.710 0.000 2.316 457 c HA 0.588 5.140 4.570 -0.031 0.000 0.324 457 c C -0.315 173.395 174.090 -0.633 0.000 1.226 457 c CA -0.623 55.397 56.329 -0.514 0.000 1.450 457 c CB -0.855 41.440 42.510 -0.359 0.000 2.123 457 c HN 0.857 nan 8.230 nan 0.000 0.454 458 H N 1.302 120.415 119.070 0.073 0.000 2.479 458 H HA 0.268 4.805 4.556 -0.031 0.000 0.335 458 H C 1.018 176.374 175.328 0.046 0.000 1.142 458 H CA -0.336 55.827 56.048 0.191 0.000 1.234 458 H CB 1.350 31.323 29.762 0.353 0.000 1.503 458 H HN 0.471 nan 8.280 nan 0.000 0.510 459 T N 1.510 116.137 114.554 0.122 0.000 2.643 459 T HA 0.103 4.435 4.350 -0.031 0.000 0.264 459 T C 0.621 175.151 174.700 -0.284 0.000 1.045 459 T CA 1.590 63.594 62.100 -0.160 0.000 1.155 459 T CB 0.097 68.874 68.868 -0.152 0.000 0.863 459 T HN 0.786 nan 8.240 nan 0.000 0.420 460 A N -0.559 122.208 122.820 -0.088 0.000 2.586 460 A HA 0.611 4.912 4.320 -0.031 0.000 0.290 460 A C -1.288 176.304 177.584 0.014 0.000 1.086 460 A CA -0.730 51.295 52.037 -0.020 0.000 0.665 460 A CB 0.963 19.969 19.000 0.010 0.000 1.279 460 A HN 0.054 nan 8.150 nan 0.000 0.423 461 V N 2.341 122.183 119.914 -0.120 0.000 2.521 461 V HA 0.272 4.373 4.120 -0.031 0.000 0.286 461 V C 0.182 176.000 176.094 -0.460 0.000 1.034 461 V CA 0.809 62.800 62.300 -0.514 0.000 1.045 461 V CB 0.436 31.908 31.823 -0.586 0.000 0.974 461 V HN 0.917 nan 8.190 nan 0.000 0.480 462 D N 3.001 122.990 120.400 -0.686 0.000 2.775 462 D HA -0.141 4.481 4.640 -0.031 0.000 0.235 462 D C 0.396 176.655 176.300 -0.069 0.000 1.120 462 D CA 0.853 54.630 54.000 -0.372 0.000 0.708 462 D CB -0.235 40.360 40.800 -0.342 0.000 1.084 462 D HN 0.700 nan 8.370 nan 0.000 0.434 463 R N -0.900 119.631 120.500 0.052 0.000 2.832 463 R HA 0.452 4.773 4.340 -0.031 0.000 0.271 463 R C 1.456 177.876 176.300 0.201 0.000 0.996 463 R CA -0.749 55.427 56.100 0.127 0.000 0.977 463 R CB 0.857 31.223 30.300 0.109 0.000 1.168 463 R HN -0.185 nan 8.270 nan 0.000 0.482 464 T N 1.049 115.722 114.554 0.199 0.000 2.684 464 T HA -0.185 4.146 4.350 -0.031 0.000 0.267 464 T C 1.532 176.335 174.700 0.171 0.000 1.036 464 T CA 2.192 64.401 62.100 0.182 0.000 1.148 464 T CB -0.014 68.961 68.868 0.178 0.000 0.863 464 T HN 0.740 nan 8.240 nan 0.000 0.436 465 A N 0.096 123.044 122.820 0.214 0.000 2.252 465 A HA 0.550 4.851 4.320 -0.031 0.000 0.213 465 A C 2.199 179.978 177.584 0.324 0.000 1.188 465 A CA 0.733 52.893 52.037 0.204 0.000 0.863 465 A CB -0.100 19.006 19.000 0.177 0.000 0.893 465 A HN 0.482 nan 8.150 nan 0.000 0.495 466 G N -2.482 106.542 108.800 0.374 0.000 2.921 466 G HA2 0.170 4.111 3.960 -0.031 0.000 0.213 466 G HA3 0.170 4.111 3.960 -0.031 0.000 0.213 466 G C 0.976 176.181 174.900 0.509 0.000 1.143 466 G CA 0.710 46.080 45.100 0.450 0.000 0.764 466 G HN 0.518 nan 8.290 nan 0.000 0.542 467 W N 0.160 121.525 121.300 0.107 0.000 4.909 467 W HA 0.119 4.760 4.660 -0.031 0.000 0.180 467 W C 1.444 177.857 176.519 -0.177 0.000 2.269 467 W CA 0.150 57.450 57.345 -0.076 0.000 2.171 467 W CB -0.639 28.735 29.460 -0.143 0.000 1.191 467 W HN 0.168 nan 8.180 nan 0.000 0.907 468 N N 1.154 119.951 118.700 0.162 0.000 2.091 468 N HA -0.231 4.491 4.740 -0.031 0.000 0.193 468 N C 1.709 177.098 175.510 -0.203 0.000 1.021 468 N CA 2.411 55.448 53.050 -0.022 0.000 0.862 468 N CB -0.204 38.308 38.487 0.041 0.000 1.018 468 N HN 0.107 nan 8.380 nan 0.000 0.429 469 I N 0.281 120.770 120.570 -0.135 0.000 2.296 469 I HA -0.058 4.093 4.170 -0.031 0.000 0.242 469 I C -0.995 175.026 176.117 -0.160 0.000 1.087 469 I CA 0.439 61.654 61.300 -0.143 0.000 1.393 469 I CB -1.083 36.885 38.000 -0.053 0.000 1.093 469 I HN 0.008 nan 8.210 nan 0.000 0.421 470 P HA -0.180 nan 4.420 nan 0.000 0.214 470 P C 1.767 178.872 177.300 -0.326 0.000 1.163 470 P CA 1.675 64.578 63.100 -0.329 0.000 0.889 470 P CB -0.151 31.083 31.700 -0.776 0.000 0.790 471 M N -1.210 118.069 119.600 -0.536 0.000 2.358 471 M HA -0.010 4.452 4.480 -0.031 0.000 0.264 471 M C 2.019 178.231 176.300 -0.147 0.000 1.064 471 M CA 1.484 56.477 55.300 -0.511 0.000 1.093 471 M CB -2.160 29.664 32.600 -1.293 0.000 1.401 471 M HN -0.030 nan 8.290 nan 0.000 0.440 472 G N 2.040 110.739 108.800 -0.168 0.000 2.813 472 G HA2 -0.164 3.778 3.960 -0.031 0.000 0.208 472 G HA3 -0.164 3.778 3.960 -0.031 0.000 0.208 472 G C -1.093 173.816 174.900 0.014 0.000 1.395 472 G CA 0.328 45.387 45.100 -0.068 0.000 0.849 472 G HN 0.277 nan 8.290 nan 0.000 0.617 473 P HA -0.123 nan 4.420 nan 0.000 0.218 473 P C 2.047 179.424 177.300 0.128 0.000 1.152 473 P CA 0.690 63.845 63.100 0.091 0.000 0.857 473 P CB -0.100 31.666 31.700 0.111 0.000 0.787 474 L N -1.980 119.287 121.223 0.073 0.000 2.012 474 L HA -0.093 4.228 4.340 -0.031 0.000 0.210 474 L C 2.047 178.726 176.870 -0.317 0.000 1.073 474 L CA 1.769 56.459 54.840 -0.250 0.000 0.748 474 L CB -1.612 40.155 42.059 -0.487 0.000 0.891 474 L HN -0.108 nan 8.230 nan 0.000 0.431 475 F N -0.364 119.383 119.950 -0.339 0.000 2.692 475 F HA 0.040 4.548 4.527 -0.031 0.000 0.303 475 F C 1.977 177.659 175.800 -0.197 0.000 1.114 475 F CA -0.020 57.783 58.000 -0.328 0.000 1.361 475 F CB -0.288 38.500 39.000 -0.353 0.000 1.063 475 F HN 0.170 nan 8.300 nan 0.000 0.550 476 K N -0.213 120.170 120.400 -0.028 0.000 2.007 476 K HA -0.132 4.169 4.320 -0.031 0.000 0.206 476 K C 1.157 177.726 176.600 -0.051 0.000 1.047 476 K CA 2.023 58.302 56.287 -0.014 0.000 0.937 476 K CB -0.722 31.777 32.500 -0.001 0.000 0.718 476 K HN 0.163 nan 8.250 nan 0.000 0.438 477 D N 1.471 121.824 120.400 -0.079 0.000 2.103 477 D HA -0.195 4.426 4.640 -0.031 0.000 0.190 477 D C 1.222 177.458 176.300 -0.107 0.000 0.997 477 D CA 1.769 55.719 54.000 -0.084 0.000 0.833 477 D CB -0.784 39.963 40.800 -0.089 0.000 0.961 477 D HN 0.381 nan 8.370 nan 0.000 0.447 478 T N 0.051 114.499 114.554 -0.177 0.000 2.802 478 T HA 0.050 4.381 4.350 -0.031 0.000 0.305 478 T C 0.247 174.872 174.700 -0.125 0.000 1.053 478 T CA -0.097 61.891 62.100 -0.187 0.000 1.058 478 T CB 0.651 69.346 68.868 -0.290 0.000 0.988 478 T HN 0.300 nan 8.240 nan 0.000 0.539 479 D N 1.003 121.349 120.400 -0.089 0.000 2.571 479 D HA 0.114 4.735 4.640 -0.031 0.000 0.239 479 D C 0.339 176.622 176.300 -0.028 0.000 1.267 479 D CA -0.423 53.554 54.000 -0.038 0.000 0.823 479 D CB -0.031 40.755 40.800 -0.023 0.000 1.056 479 D HN 0.453 nan 8.370 nan 0.000 0.494 480 S N -0.316 115.353 115.700 -0.052 0.000 2.586 480 S HA 0.284 4.735 4.470 -0.031 0.000 0.274 480 S C 0.599 175.217 174.600 0.030 0.000 1.281 480 S CA -0.465 57.725 58.200 -0.017 0.000 1.035 480 S CB 1.648 64.829 63.200 -0.033 0.000 0.962 480 S HN 0.296 nan 8.310 nan 0.000 0.512 481 c N 3.056 121.641 118.600 -0.024 0.000 2.863 481 c HA 0.446 4.997 4.570 -0.031 0.000 0.284 481 c C 0.881 174.839 174.090 -0.221 0.000 1.426 481 c CA -0.651 55.562 56.329 -0.194 0.000 1.782 481 c CB -1.621 40.880 42.510 -0.015 0.000 2.554 481 c HN 0.745 nan 8.230 nan 0.000 0.566 482 R N 0.792 121.244 120.500 -0.081 0.000 2.408 482 R HA 0.212 4.533 4.340 -0.031 0.000 0.308 482 R C -0.264 176.024 176.300 -0.020 0.000 1.210 482 R CA -0.109 55.998 56.100 0.011 0.000 1.115 482 R CB -0.009 30.336 30.300 0.074 0.000 1.127 482 R HN 0.472 nan 8.270 nan 0.000 0.523 483 F N 1.011 120.842 119.950 -0.197 0.000 2.693 483 F HA -0.011 4.497 4.527 -0.031 0.000 0.303 483 F C 1.452 177.216 175.800 -0.059 0.000 1.143 483 F CA 0.231 57.954 58.000 -0.461 0.000 1.389 483 F CB 0.380 39.045 39.000 -0.558 0.000 1.060 483 F HN 0.439 nan 8.300 nan 0.000 0.535 484 D N -1.570 118.970 120.400 0.233 0.000 2.479 484 D HA 0.004 4.626 4.640 -0.031 0.000 0.216 484 D C 0.613 177.049 176.300 0.226 0.000 1.110 484 D CA 0.312 54.462 54.000 0.251 0.000 0.841 484 D CB -0.180 40.748 40.800 0.214 0.000 1.040 484 D HN 0.091 nan 8.370 nan 0.000 0.505 485 E N -0.258 120.072 120.200 0.217 0.000 2.462 485 E HA 0.313 4.644 4.350 -0.031 0.000 0.255 485 E C -0.734 176.000 176.600 0.224 0.000 1.311 485 E CA -0.330 56.175 56.400 0.176 0.000 1.629 485 E CB -0.381 29.394 29.700 0.124 0.000 1.510 485 E HN 0.300 nan 8.360 nan 0.000 0.438 486 F N -1.176 118.771 119.950 -0.003 0.000 2.495 486 F HA 0.341 4.849 4.527 -0.031 0.000 0.326 486 F C -0.313 175.327 175.800 -0.267 0.000 0.815 486 F CA -0.170 57.723 58.000 -0.178 0.000 1.045 486 F CB 0.471 39.330 39.000 -0.236 0.000 0.946 486 F HN -0.022 nan 8.300 nan 0.000 0.683 487 F N 0.622 120.800 119.950 0.379 0.000 2.378 487 F HA 0.301 4.810 4.527 -0.031 0.000 0.325 487 F C 1.686 177.567 175.800 0.135 0.000 1.097 487 F CA -0.102 58.043 58.000 0.242 0.000 1.079 487 F CB 1.584 40.779 39.000 0.324 0.000 1.240 487 F HN -0.242 nan 8.300 nan 0.000 0.519 488 S N -0.098 115.804 115.700 0.336 0.000 2.345 488 S HA -0.076 4.375 4.470 -0.031 0.000 0.220 488 S C 0.105 174.820 174.600 0.192 0.000 1.031 488 S CA 1.051 59.365 58.200 0.190 0.000 0.996 488 S CB -0.066 63.210 63.200 0.126 0.000 0.882 488 S HN 0.556 nan 8.310 nan 0.000 0.445 489 Q N 0.485 120.404 119.800 0.198 0.000 2.275 489 Q HA 0.386 4.708 4.340 -0.031 0.000 0.258 489 Q C -1.823 174.262 176.000 0.142 0.000 0.960 489 Q CA -0.294 55.603 55.803 0.158 0.000 0.801 489 Q CB 2.162 30.955 28.738 0.091 0.000 1.302 489 Q HN 0.260 nan 8.270 nan 0.000 0.433 490 S N 0.762 116.587 115.700 0.208 0.000 2.537 490 S HA 0.484 4.936 4.470 -0.031 0.000 0.301 490 S C -0.668 174.035 174.600 0.173 0.000 1.092 490 S CA -0.746 57.573 58.200 0.199 0.000 1.048 490 S CB 1.610 65.108 63.200 0.496 0.000 1.053 490 S HN 0.716 nan 8.310 nan 0.000 0.501 491 c N 2.931 121.593 118.600 0.104 0.000 2.223 491 c HA 0.794 5.345 4.570 -0.031 0.000 0.324 491 c C 0.184 174.415 174.090 0.235 0.000 1.196 491 c CA -0.428 55.970 56.329 0.116 0.000 1.628 491 c CB -1.731 40.802 42.510 0.037 0.000 2.229 491 c HN 0.904 nan 8.230 nan 0.000 0.486 492 A N 8.589 131.584 122.820 0.292 0.000 2.363 492 A HA 0.741 5.043 4.320 -0.031 0.000 0.296 492 A C -2.768 174.904 177.584 0.147 0.000 1.237 492 A CA -1.245 50.981 52.037 0.314 0.000 0.773 492 A CB 0.887 20.122 19.000 0.391 0.000 1.153 492 A HN 0.753 nan 8.150 nan 0.000 0.473 493 P HA 0.358 nan 4.420 nan 0.000 0.277 493 P C 0.800 178.150 177.300 0.084 0.000 1.354 493 P CA 0.857 64.048 63.100 0.151 0.000 0.891 493 P CB 0.762 32.663 31.700 0.334 0.000 1.058 494 G N 1.687 110.492 108.800 0.008 0.000 3.509 494 G HA2 -0.101 3.841 3.960 -0.031 0.000 0.220 494 G HA3 -0.101 3.841 3.960 -0.031 0.000 0.220 494 G C 0.275 175.125 174.900 -0.085 0.000 0.951 494 G CA -0.236 44.827 45.100 -0.061 0.000 0.844 494 G HN 0.461 nan 8.290 nan 0.000 0.568 495 S N 0.420 116.088 115.700 -0.054 0.000 2.686 495 S HA 0.512 4.963 4.470 -0.031 0.000 0.270 495 S C -0.403 174.197 174.600 -0.002 0.000 1.194 495 S CA -0.338 57.840 58.200 -0.036 0.000 0.990 495 S CB 1.340 64.547 63.200 0.012 0.000 1.029 495 S HN 0.321 nan 8.310 nan 0.000 0.560 496 D N 1.066 121.475 120.400 0.016 0.000 2.383 496 D HA 0.163 4.785 4.640 -0.031 0.000 0.252 496 D C -1.727 174.590 176.300 0.029 0.000 1.166 496 D CA -1.798 52.214 54.000 0.020 0.000 0.879 496 D CB 1.084 41.899 40.800 0.025 0.000 1.164 496 D HN 0.002 nan 8.370 nan 0.000 0.462 497 P HA -0.117 nan 4.420 nan 0.000 0.222 497 P C 0.689 178.006 177.300 0.028 0.000 1.142 497 P CA 1.246 64.359 63.100 0.022 0.000 0.788 497 P CB 0.162 31.870 31.700 0.012 0.000 0.767 498 R N -1.346 119.172 120.500 0.031 0.000 2.206 498 R HA 0.184 4.505 4.340 -0.031 0.000 0.198 498 R C 1.514 177.841 176.300 0.045 0.000 0.986 498 R CA 0.139 56.259 56.100 0.034 0.000 1.029 498 R CB -0.752 29.564 30.300 0.028 0.000 0.966 498 R HN 0.107 nan 8.270 nan 0.000 0.487 499 S N 1.811 117.544 115.700 0.055 0.000 2.617 499 S HA 0.015 4.466 4.470 -0.031 0.000 0.255 499 S C 0.616 175.270 174.600 0.089 0.000 1.318 499 S CA -0.493 57.750 58.200 0.072 0.000 0.978 499 S CB 0.796 64.045 63.200 0.081 0.000 0.961 499 S HN 0.252 nan 8.310 nan 0.000 0.582 500 K N 0.655 121.121 120.400 0.111 0.000 2.569 500 K HA 0.317 4.618 4.320 -0.031 0.000 0.193 500 K C 0.772 177.480 176.600 0.180 0.000 1.026 500 K CA 0.745 57.113 56.287 0.136 0.000 1.093 500 K CB -0.660 31.927 32.500 0.146 0.000 0.849 500 K HN 0.558 nan 8.250 nan 0.000 0.509 501 L N -1.227 120.099 121.223 0.171 0.000 2.817 501 L HA 0.173 4.494 4.340 -0.031 0.000 0.248 501 L C 0.426 177.393 176.870 0.162 0.000 1.133 501 L CA -0.068 54.897 54.840 0.208 0.000 0.935 501 L CB 0.543 42.730 42.059 0.213 0.000 1.266 501 L HN 0.251 nan 8.230 nan 0.000 0.535 502 c N -0.960 117.709 118.600 0.114 0.000 3.642 502 c HA 0.348 4.900 4.570 -0.031 0.000 0.305 502 c C 2.429 176.559 174.090 0.066 0.000 1.492 502 c CA 0.081 56.461 56.329 0.085 0.000 1.809 502 c CB 0.311 42.857 42.510 0.061 0.000 2.639 502 c HN 0.494 nan 8.230 nan 0.000 0.672 503 A N 1.591 124.454 122.820 0.072 0.000 1.865 503 A HA -0.121 4.181 4.320 -0.031 0.000 0.217 503 A C 1.856 179.463 177.584 0.037 0.000 1.191 503 A CA 1.663 53.731 52.037 0.052 0.000 0.623 503 A CB -0.577 18.457 19.000 0.057 0.000 0.826 503 A HN 0.590 nan 8.150 nan 0.000 0.444 504 L N -0.479 120.765 121.223 0.035 0.000 2.265 504 L HA -0.095 4.226 4.340 -0.031 0.000 0.215 504 L C 1.315 178.187 176.870 0.003 0.000 1.117 504 L CA -0.346 54.500 54.840 0.009 0.000 0.782 504 L CB -1.370 40.681 42.059 -0.013 0.000 0.914 504 L HN 0.298 nan 8.230 nan 0.000 0.441 505 c N 0.713 119.326 118.600 0.021 0.000 2.568 505 c HA 0.041 4.592 4.570 -0.031 0.000 0.401 505 c C 2.146 176.237 174.090 0.002 0.000 1.338 505 c CA 0.374 56.714 56.329 0.018 0.000 1.721 505 c CB 0.412 42.946 42.510 0.040 0.000 2.624 505 c HN 0.586 nan 8.230 nan 0.000 0.614 506 A N 3.110 125.927 122.820 -0.006 0.000 1.823 506 A HA 0.482 4.783 4.320 -0.031 0.000 0.214 506 A C 1.238 178.817 177.584 -0.008 0.000 1.225 506 A CA 1.469 53.496 52.037 -0.016 0.000 0.604 506 A CB -1.250 17.732 19.000 -0.030 0.000 0.878 506 A HN 2.556 nan 8.150 nan 0.000 0.450 507 G N -1.585 107.211 108.800 -0.006 0.000 2.699 507 G HA2 -0.068 3.873 3.960 -0.031 0.000 0.686 507 G HA3 -0.068 3.873 3.960 -0.031 0.000 0.686 507 G C -0.575 174.319 174.900 -0.010 0.000 1.301 507 G CA -0.093 45.002 45.100 -0.009 0.000 0.816 507 G HN 0.692 nan 8.290 nan 0.000 0.595 508 N N 1.001 119.695 118.700 -0.011 0.000 2.549 508 N HA 0.389 5.111 4.740 -0.031 0.000 0.267 508 N C 0.826 176.336 175.510 -0.001 0.000 1.182 508 N CA 1.097 54.142 53.050 -0.009 0.000 1.019 508 N CB 0.062 38.541 38.487 -0.013 0.000 1.380 508 N HN 0.960 nan 8.380 nan 0.000 0.505 509 E N 1.827 122.029 120.200 0.003 0.000 2.791 509 E HA -0.257 4.074 4.350 -0.031 0.000 0.271 509 E C -1.114 175.490 176.600 0.006 0.000 1.044 509 E CA 0.820 57.225 56.400 0.008 0.000 0.814 509 E CB -1.031 28.678 29.700 0.015 0.000 1.400 509 E HN 0.555 nan 8.360 nan 0.000 0.423 510 E N -2.978 117.223 120.200 0.001 0.000 2.442 510 E HA -0.164 4.167 4.350 -0.031 0.000 0.177 510 E C 0.410 177.012 176.600 0.002 0.000 1.505 510 E CA 1.465 57.865 56.400 0.001 0.000 0.662 510 E CB -1.662 28.040 29.700 0.002 0.000 1.117 510 E HN 0.616 nan 8.360 nan 0.000 0.375 511 G N 0.290 109.090 108.800 0.000 0.000 3.958 511 G HA2 0.062 4.004 3.960 -0.031 0.000 0.127 511 G HA3 0.062 4.004 3.960 -0.031 0.000 0.127 511 G C 0.468 175.367 174.900 -0.002 0.000 1.260 511 G CA 0.313 45.414 45.100 0.000 0.000 1.105 511 G HN 0.193 nan 8.290 nan 0.000 0.431 512 Q N -0.143 119.654 119.800 -0.005 0.000 3.042 512 Q HA 0.526 4.847 4.340 -0.031 0.000 0.201 512 Q C 0.147 176.140 176.000 -0.012 0.000 1.156 512 Q CA -0.849 54.949 55.803 -0.008 0.000 0.440 512 Q CB 0.243 28.976 28.738 -0.009 0.000 5.406 512 Q HN 0.170 nan 8.270 nan 0.000 0.316 513 L N 2.638 123.851 121.223 -0.018 0.000 3.027 513 L HA -0.150 4.172 4.340 -0.031 0.000 0.300 513 L C 0.095 176.951 176.870 -0.023 0.000 0.991 513 L CA 0.461 55.287 54.840 -0.024 0.000 1.110 513 L CB -0.595 41.441 42.059 -0.038 0.000 1.587 513 L HN 0.220 nan 8.230 nan 0.000 0.419 514 K N 2.729 123.121 120.400 -0.013 0.000 2.213 514 K HA 0.130 4.432 4.320 -0.031 0.000 0.270 514 K C 0.003 176.603 176.600 -0.001 0.000 1.002 514 K CA -0.394 55.890 56.287 -0.006 0.000 0.868 514 K CB 1.319 33.819 32.500 0.000 0.000 1.093 514 K HN 0.662 nan 8.250 nan 0.000 0.454 515 c N 2.947 121.550 118.600 0.006 0.000 3.442 515 c HA -0.139 4.412 4.570 -0.031 0.000 0.288 515 c C -0.556 173.535 174.090 0.002 0.000 1.238 515 c CA -0.101 56.239 56.329 0.019 0.000 2.320 515 c CB -1.790 40.741 42.510 0.034 0.000 1.459 515 c HN 0.433 nan 8.230 nan 0.000 0.544 516 V N 6.148 126.051 119.914 -0.018 0.000 2.656 516 V HA 0.510 4.611 4.120 -0.031 0.000 0.307 516 V C -1.769 174.257 176.094 -0.114 0.000 1.051 516 V CA -1.001 61.263 62.300 -0.059 0.000 0.893 516 V CB 2.533 34.314 31.823 -0.069 0.000 0.999 516 V HN 0.410 nan 8.190 nan 0.000 0.426 517 P HA 0.135 nan 4.420 nan 0.000 0.261 517 P C -0.356 176.527 177.300 -0.694 0.000 1.650 517 P CA 0.603 63.578 63.100 -0.208 0.000 0.846 517 P CB -0.207 31.471 31.700 -0.037 0.000 1.758 518 N N -1.905 116.280 118.700 -0.858 0.000 2.902 518 N HA 0.239 4.960 4.740 -0.031 0.000 0.268 518 N C 0.659 175.748 175.510 -0.701 0.000 1.450 518 N CA -0.621 51.889 53.050 -0.898 0.000 0.819 518 N CB 0.832 39.090 38.487 -0.381 0.000 1.540 518 N HN -0.379 nan 8.380 nan 0.000 0.545 519 S N -0.726 114.777 115.700 -0.328 0.000 2.500 519 S HA -0.147 4.305 4.470 -0.031 0.000 0.239 519 S C 1.719 176.292 174.600 -0.045 0.000 0.989 519 S CA 0.994 59.153 58.200 -0.067 0.000 0.951 519 S CB -0.401 62.808 63.200 0.015 0.000 0.759 519 S HN 0.583 nan 8.310 nan 0.000 0.523 520 S N 1.562 117.208 115.700 -0.090 0.000 2.428 520 S HA -0.119 4.333 4.470 -0.031 0.000 0.230 520 S C 0.718 175.286 174.600 -0.053 0.000 1.014 520 S CA 0.701 58.864 58.200 -0.063 0.000 0.957 520 S CB -0.166 62.990 63.200 -0.074 0.000 0.784 520 S HN 0.462 nan 8.310 nan 0.000 0.499 521 E N 1.892 122.047 120.200 -0.074 0.000 2.014 521 E HA 0.289 4.620 4.350 -0.031 0.000 0.275 521 E C 1.084 177.694 176.600 0.017 0.000 0.997 521 E CA -0.665 55.718 56.400 -0.028 0.000 0.804 521 E CB 0.663 30.348 29.700 -0.026 0.000 1.090 521 E HN 0.403 nan 8.360 nan 0.000 0.401 522 R N 4.038 124.541 120.500 0.004 0.000 2.096 522 R HA -0.129 4.192 4.340 -0.031 0.000 0.240 522 R C 0.358 176.652 176.300 -0.009 0.000 1.139 522 R CA 1.169 57.267 56.100 -0.004 0.000 0.952 522 R CB -0.208 30.070 30.300 -0.037 0.000 0.854 522 R HN 0.471 nan 8.270 nan 0.000 0.436 523 L N 1.852 123.064 121.223 -0.017 0.000 2.873 523 L HA 0.143 4.465 4.340 -0.031 0.000 0.252 523 L C -0.263 176.617 176.870 0.018 0.000 1.266 523 L CA 0.341 55.152 54.840 -0.048 0.000 1.111 523 L CB -1.462 40.552 42.059 -0.075 0.000 1.440 523 L HN 0.228 nan 8.230 nan 0.000 0.427 524 Y N -0.695 119.562 120.300 -0.072 0.000 2.549 524 Y HA 0.739 5.270 4.550 -0.031 0.000 0.339 524 Y C 0.782 176.636 175.900 -0.077 0.000 1.053 524 Y CA -0.361 57.705 58.100 -0.058 0.000 1.105 524 Y CB 1.592 40.025 38.460 -0.046 0.000 1.258 524 Y HN 0.246 nan 8.280 nan 0.000 0.478 525 G N 2.437 110.489 108.800 -1.247 0.000 2.728 525 G HA2 -0.305 3.636 3.960 -0.031 0.000 0.294 525 G HA3 -0.305 3.636 3.960 -0.031 0.000 0.294 525 G C 0.022 174.520 174.900 -0.670 0.000 1.342 525 G CA -0.013 44.450 45.100 -1.062 0.000 0.866 525 G HN 0.953 nan 8.290 nan 0.000 0.534 526 Y N 0.499 120.728 120.300 -0.118 0.000 2.144 526 Y HA -0.302 4.230 4.550 -0.031 0.000 0.277 526 Y C 3.394 179.296 175.900 0.004 0.000 1.229 526 Y CA 2.935 61.029 58.100 -0.011 0.000 1.144 526 Y CB -1.021 37.437 38.460 -0.003 0.000 0.953 526 Y HN 0.814 nan 8.280 nan 0.000 0.515 527 T N -2.404 112.202 114.554 0.086 0.000 2.684 527 T HA -0.145 4.186 4.350 -0.031 0.000 0.267 527 T C 1.849 176.559 174.700 0.016 0.000 1.036 527 T CA 1.322 63.483 62.100 0.102 0.000 1.148 527 T CB -0.873 68.046 68.868 0.085 0.000 0.863 527 T HN 0.489 nan 8.240 nan 0.000 0.436 528 G N -0.383 108.372 108.800 -0.075 0.000 3.575 528 G HA2 0.592 4.533 3.960 -0.031 0.000 0.273 528 G HA3 0.592 4.533 3.960 -0.031 0.000 0.273 528 G C 1.160 175.984 174.900 -0.126 0.000 1.053 528 G CA 0.391 45.403 45.100 -0.147 0.000 0.803 528 G HN 0.616 nan 8.290 nan 0.000 0.528 529 A N 0.306 123.083 122.820 -0.071 0.000 1.887 529 A HA 0.273 4.574 4.320 -0.031 0.000 0.212 529 A C 1.727 179.291 177.584 -0.034 0.000 1.198 529 A CA 0.648 52.656 52.037 -0.048 0.000 0.628 529 A CB -0.319 18.702 19.000 0.035 0.000 0.847 529 A HN 0.367 nan 8.150 nan 0.000 0.449 530 F N -0.281 119.595 119.950 -0.124 0.000 2.710 530 F HA 0.177 4.685 4.527 -0.031 0.000 0.298 530 F C 2.076 177.786 175.800 -0.150 0.000 1.137 530 F CA 0.786 58.701 58.000 -0.142 0.000 1.444 530 F CB 0.135 39.094 39.000 -0.067 0.000 1.111 530 F HN 0.138 nan 8.300 nan 0.000 0.580 531 R N -0.928 119.398 120.500 -0.290 0.000 2.282 531 R HA 0.015 4.336 4.340 -0.031 0.000 0.195 531 R C 2.301 178.386 176.300 -0.358 0.000 0.909 531 R CA 0.984 56.765 56.100 -0.531 0.000 1.039 531 R CB -0.346 29.376 30.300 -0.963 0.000 1.015 531 R HN 0.511 nan 8.270 nan 0.000 0.513 532 c N -0.482 117.962 118.600 -0.260 0.000 2.504 532 c HA 0.131 4.682 4.570 -0.031 0.000 0.279 532 c C 2.243 176.223 174.090 -0.182 0.000 1.358 532 c CA -0.401 55.810 56.329 -0.197 0.000 1.747 532 c CB -0.853 41.559 42.510 -0.164 0.000 2.037 532 c HN 0.457 nan 8.230 nan 0.000 0.503 533 L N 3.359 124.452 121.223 -0.216 0.000 1.961 533 L HA 0.157 4.478 4.340 -0.031 0.000 0.210 533 L C 2.745 179.550 176.870 -0.110 0.000 1.072 533 L CA 2.819 57.553 54.840 -0.177 0.000 0.749 533 L CB -1.364 40.564 42.059 -0.220 0.000 0.889 533 L HN 0.329 nan 8.230 nan 0.000 0.432 534 A N -1.322 121.380 122.820 -0.197 0.000 2.131 534 A HA -0.188 4.113 4.320 -0.031 0.000 0.220 534 A C 1.821 179.423 177.584 0.029 0.000 1.158 534 A CA 1.799 53.825 52.037 -0.018 0.000 0.665 534 A CB -0.640 18.300 19.000 -0.101 0.000 0.795 534 A HN 0.704 nan 8.150 nan 0.000 0.460 535 E N 0.203 120.386 120.200 -0.029 0.000 2.736 535 E HA 0.085 4.417 4.350 -0.031 0.000 0.208 535 E C -0.801 175.783 176.600 -0.027 0.000 0.996 535 E CA -0.555 55.841 56.400 -0.006 0.000 1.104 535 E CB -0.021 29.664 29.700 -0.026 0.000 1.111 535 E HN 0.475 nan 8.360 nan 0.000 0.455 536 N N 0.912 119.591 118.700 -0.035 0.000 2.684 536 N HA -0.178 4.543 4.740 -0.031 0.000 0.284 536 N C 0.177 175.661 175.510 -0.043 0.000 1.067 536 N CA 0.476 53.502 53.050 -0.039 0.000 0.791 536 N CB -0.440 38.028 38.487 -0.031 0.000 0.934 536 N HN 0.128 nan 8.380 nan 0.000 0.566 537 V N -1.110 118.767 119.914 -0.062 0.000 3.141 537 V HA 0.221 4.322 4.120 -0.031 0.000 0.225 537 V C 1.400 177.443 176.094 -0.084 0.000 1.352 537 V CA 1.112 63.373 62.300 -0.065 0.000 1.316 537 V CB 0.580 32.356 31.823 -0.078 0.000 1.126 537 V HN 0.489 nan 8.190 nan 0.000 0.493 538 G N -0.530 108.201 108.800 -0.116 0.000 2.389 538 G HA2 0.393 4.335 3.960 -0.031 0.000 0.317 538 G HA3 0.393 4.335 3.960 -0.031 0.000 0.317 538 G C -0.149 174.672 174.900 -0.131 0.000 1.137 538 G CA -0.067 44.936 45.100 -0.162 0.000 0.870 538 G HN 0.111 nan 8.290 nan 0.000 0.496 539 D N -0.539 119.777 120.400 -0.141 0.000 2.271 539 D HA 0.032 4.654 4.640 -0.031 0.000 0.206 539 D C 0.626 176.864 176.300 -0.104 0.000 0.967 539 D CA 0.849 54.798 54.000 -0.086 0.000 0.867 539 D CB 1.065 41.842 40.800 -0.039 0.000 0.960 539 D HN 0.155 nan 8.370 nan 0.000 0.509 540 V N -0.575 119.202 119.914 -0.227 0.000 3.147 540 V HA 0.710 4.812 4.120 -0.031 0.000 0.306 540 V C -1.891 173.836 176.094 -0.611 0.000 1.209 540 V CA -0.673 61.438 62.300 -0.315 0.000 1.023 540 V CB 2.242 33.952 31.823 -0.189 0.000 1.059 540 V HN 0.018 nan 8.190 nan 0.000 0.435 541 A N 3.945 126.344 122.820 -0.702 0.000 2.455 541 A HA 0.863 5.165 4.320 -0.031 0.000 0.300 541 A C -1.493 175.656 177.584 -0.726 0.000 1.040 541 A CA -0.422 51.191 52.037 -0.708 0.000 0.697 541 A CB 1.309 20.114 19.000 -0.326 0.000 1.265 541 A HN 0.785 nan 8.150 nan 0.000 0.407 542 F N 2.543 122.526 119.950 0.055 0.000 2.361 542 F HA 0.539 5.048 4.527 -0.031 0.000 0.364 542 F C 0.611 176.544 175.800 0.221 0.000 1.120 542 F CA -0.432 57.670 58.000 0.171 0.000 1.102 542 F CB 1.503 40.656 39.000 0.256 0.000 1.183 542 F HN 0.528 nan 8.300 nan 0.000 0.476 543 V N -0.120 119.994 119.914 0.333 0.000 3.084 543 V HA 0.652 4.754 4.120 -0.031 0.000 0.311 543 V C -0.874 175.361 176.094 0.235 0.000 1.311 543 V CA -1.659 60.846 62.300 0.342 0.000 1.062 543 V CB 1.875 33.858 31.823 0.266 0.000 1.113 543 V HN 0.559 nan 8.190 nan 0.000 0.468 544 K N 0.266 120.722 120.400 0.093 0.000 2.095 544 K HA 0.436 4.737 4.320 -0.031 0.000 0.252 544 K C 0.506 177.117 176.600 0.020 0.000 0.977 544 K CA -0.006 56.342 56.287 0.101 0.000 0.900 544 K CB 1.045 33.600 32.500 0.091 0.000 1.060 544 K HN 0.759 nan 8.250 nan 0.000 0.449 545 D N 1.381 121.801 120.400 0.033 0.000 2.221 545 D HA -0.177 4.444 4.640 -0.031 0.000 0.204 545 D C 1.397 177.661 176.300 -0.061 0.000 0.982 545 D CA 1.230 55.231 54.000 0.002 0.000 0.857 545 D CB -0.463 40.341 40.800 0.006 0.000 0.934 545 D HN 0.313 nan 8.370 nan 0.000 0.475 546 V N 0.835 120.684 119.914 -0.108 0.000 2.358 546 V HA -0.216 3.885 4.120 -0.031 0.000 0.246 546 V C 2.672 178.646 176.094 -0.200 0.000 1.047 546 V CA 1.932 64.138 62.300 -0.157 0.000 1.035 546 V CB -1.550 30.160 31.823 -0.188 0.000 0.658 546 V HN 0.171 nan 8.190 nan 0.000 0.452 547 T N 0.823 115.262 114.554 -0.193 0.000 2.837 547 T HA -0.209 4.122 4.350 -0.031 0.000 0.266 547 T C 1.734 176.065 174.700 -0.616 0.000 1.077 547 T CA 1.887 63.847 62.100 -0.234 0.000 1.133 547 T CB -0.390 68.457 68.868 -0.035 0.000 0.830 547 T HN 0.429 nan 8.240 nan 0.000 0.512 548 V N 1.265 120.838 119.914 -0.570 0.000 2.326 548 V HA 0.046 4.147 4.120 -0.031 0.000 0.237 548 V C 1.743 177.558 176.094 -0.466 0.000 1.044 548 V CA 1.060 62.907 62.300 -0.755 0.000 1.035 548 V CB -0.716 30.985 31.823 -0.203 0.000 0.675 548 V HN 0.501 nan 8.190 nan 0.000 0.470 549 L N -1.103 119.982 121.223 -0.231 0.000 2.779 549 L HA 0.507 4.829 4.340 -0.031 0.000 0.239 549 L C 0.120 176.904 176.870 -0.144 0.000 1.245 549 L CA 1.025 55.782 54.840 -0.137 0.000 1.064 549 L CB -0.726 41.291 42.059 -0.070 0.000 1.350 549 L HN 0.168 nan 8.230 nan 0.000 0.455 550 D N -0.726 119.554 120.400 -0.200 0.000 2.881 550 D HA 0.161 4.783 4.640 -0.031 0.000 0.325 550 D C 0.566 176.745 176.300 -0.202 0.000 1.621 550 D CA 0.063 53.963 54.000 -0.167 0.000 0.785 550 D CB 0.274 40.988 40.800 -0.143 0.000 1.233 550 D HN 0.277 nan 8.370 nan 0.000 0.447 551 N N -0.869 117.665 118.700 -0.277 0.000 1.910 551 N HA -0.050 4.671 4.740 -0.031 0.000 0.254 551 N C 0.200 175.599 175.510 -0.185 0.000 1.331 551 N CA 0.559 53.438 53.050 -0.285 0.000 0.775 551 N CB 0.745 38.979 38.487 -0.422 0.000 1.288 551 N HN 0.228 nan 8.380 nan 0.000 0.522 552 T N -1.807 112.659 114.554 -0.148 0.000 2.867 552 T HA 0.378 4.709 4.350 -0.031 0.000 0.286 552 T C 0.320 175.033 174.700 0.023 0.000 1.022 552 T CA 0.360 62.513 62.100 0.087 0.000 0.933 552 T CB 1.183 70.166 68.868 0.192 0.000 1.280 552 T HN 0.074 nan 8.240 nan 0.000 0.566 553 D N -0.613 119.820 120.400 0.056 0.000 2.603 553 D HA -0.125 4.496 4.640 -0.031 0.000 0.180 553 D C 0.776 177.076 176.300 -0.001 0.000 0.972 553 D CA 1.966 55.978 54.000 0.021 0.000 1.022 553 D CB -1.621 39.179 40.800 0.000 0.000 1.079 553 D HN 1.632 nan 8.370 nan 0.000 0.455 554 G N 0.627 109.418 108.800 -0.014 0.000 2.629 554 G HA2 -0.168 3.773 3.960 -0.031 0.000 0.154 554 G HA3 -0.168 3.773 3.960 -0.031 0.000 0.154 554 G C 0.322 175.175 174.900 -0.079 0.000 1.077 554 G CA 0.508 45.582 45.100 -0.043 0.000 0.831 554 G HN 0.377 nan 8.290 nan 0.000 0.495 555 K N -0.869 119.462 120.400 -0.115 0.000 2.562 555 K HA 0.325 4.627 4.320 -0.031 0.000 0.218 555 K C 1.949 178.425 176.600 -0.206 0.000 1.374 555 K CA 0.564 56.768 56.287 -0.138 0.000 0.996 555 K CB 0.370 32.807 32.500 -0.104 0.000 1.127 555 K HN 0.482 nan 8.250 nan 0.000 0.603 556 G N 0.501 109.078 108.800 -0.373 0.000 2.711 556 G HA2 -0.004 3.937 3.960 -0.031 0.000 0.186 556 G HA3 -0.004 3.937 3.960 -0.031 0.000 0.186 556 G C 0.109 174.810 174.900 -0.332 0.000 1.635 556 G CA 0.040 44.868 45.100 -0.453 0.000 1.065 556 G HN 0.208 nan 8.290 nan 0.000 0.545 557 T N 0.446 114.787 114.554 -0.355 0.000 2.881 557 T HA 0.447 4.778 4.350 -0.031 0.000 0.278 557 T C -0.355 174.211 174.700 -0.222 0.000 0.982 557 T CA -0.499 61.529 62.100 -0.121 0.000 0.989 557 T CB 1.237 70.203 68.868 0.163 0.000 1.058 557 T HN 0.620 nan 8.240 nan 0.000 0.529 558 E N 1.871 122.027 120.200 -0.073 0.000 2.829 558 E HA -0.049 4.282 4.350 -0.031 0.000 0.264 558 E C 0.833 177.410 176.600 -0.039 0.000 0.922 558 E CA 0.271 56.640 56.400 -0.051 0.000 0.960 558 E CB -0.009 29.700 29.700 0.014 0.000 0.918 558 E HN 0.761 nan 8.360 nan 0.000 0.497 559 Q N 2.155 121.926 119.800 -0.049 0.000 4.021 559 Q HA -0.188 4.134 4.340 -0.031 0.000 0.206 559 Q C -0.017 176.052 176.000 0.116 0.000 1.046 559 Q CA 2.061 57.891 55.803 0.045 0.000 0.990 559 Q CB -1.686 27.118 28.738 0.109 0.000 0.802 559 Q HN 0.972 nan 8.270 nan 0.000 1.064 560 W N -0.987 120.345 121.300 0.053 0.000 3.638 560 W HA 0.678 5.319 4.660 -0.031 0.000 0.226 560 W C 1.526 178.104 176.519 0.099 0.000 1.065 560 W CA 0.688 58.071 57.345 0.062 0.000 1.751 560 W CB -0.645 28.850 29.460 0.058 0.000 0.873 560 W HN 0.222 nan 8.180 nan 0.000 0.786 561 A N 1.799 124.148 122.820 -0.784 0.000 2.195 561 A HA 0.124 4.426 4.320 -0.031 0.000 0.210 561 A C 1.194 178.584 177.584 -0.322 0.000 1.165 561 A CA 0.186 51.814 52.037 -0.681 0.000 0.806 561 A CB -0.381 17.704 19.000 -1.525 0.000 0.847 561 A HN 0.003 nan 8.150 nan 0.000 0.482 562 K N 1.320 121.528 120.400 -0.321 0.000 2.336 562 K HA 0.025 4.327 4.320 -0.031 0.000 0.262 562 K C -0.548 176.018 176.600 -0.057 0.000 0.992 562 K CA -0.315 55.878 56.287 -0.157 0.000 0.927 562 K CB 0.061 32.477 32.500 -0.141 0.000 0.956 562 K HN 0.272 nan 8.250 nan 0.000 0.495 563 D N 1.167 121.548 120.400 -0.032 0.000 3.137 563 D HA -0.197 4.424 4.640 -0.031 0.000 0.196 563 D C -0.780 175.535 176.300 0.026 0.000 1.270 563 D CA 0.973 54.972 54.000 -0.002 0.000 0.716 563 D CB -0.727 40.071 40.800 -0.004 0.000 0.891 563 D HN 0.239 nan 8.370 nan 0.000 0.396 564 L N -0.663 120.593 121.223 0.055 0.000 2.516 564 L HA 0.477 4.798 4.340 -0.031 0.000 0.267 564 L C -0.160 176.792 176.870 0.136 0.000 0.957 564 L CA -0.883 54.027 54.840 0.117 0.000 0.860 564 L CB 1.428 43.620 42.059 0.222 0.000 1.265 564 L HN -0.206 nan 8.230 nan 0.000 0.403 565 K N 1.344 121.805 120.400 0.102 0.000 2.118 565 K HA 0.483 4.784 4.320 -0.031 0.000 0.240 565 K C 0.777 177.499 176.600 0.204 0.000 1.035 565 K CA -0.271 56.077 56.287 0.102 0.000 0.899 565 K CB 1.056 33.584 32.500 0.047 0.000 1.085 565 K HN 0.889 nan 8.250 nan 0.000 0.498 566 L N -1.100 120.244 121.223 0.201 0.000 2.616 566 L HA 0.383 4.705 4.340 -0.031 0.000 0.229 566 L C 0.963 177.982 176.870 0.248 0.000 1.110 566 L CA 0.608 55.630 54.840 0.304 0.000 0.884 566 L CB 0.722 42.895 42.059 0.189 0.000 1.115 566 L HN 0.653 nan 8.230 nan 0.000 0.481 567 G N -0.974 107.904 108.800 0.131 0.000 3.434 567 G HA2 -0.012 3.929 3.960 -0.031 0.000 0.258 567 G HA3 -0.012 3.929 3.960 -0.031 0.000 0.258 567 G C 0.420 175.336 174.900 0.025 0.000 1.128 567 G CA 0.255 45.403 45.100 0.080 0.000 0.792 567 G HN 0.341 nan 8.290 nan 0.000 0.539 568 D N -0.283 120.103 120.400 -0.023 0.000 2.350 568 D HA 0.153 4.774 4.640 -0.031 0.000 0.213 568 D C -0.142 175.925 176.300 -0.387 0.000 1.031 568 D CA 0.126 53.997 54.000 -0.215 0.000 0.861 568 D CB 0.029 40.658 40.800 -0.284 0.000 0.926 568 D HN 0.241 nan 8.370 nan 0.000 0.520 569 F N 1.049 121.043 119.950 0.073 0.000 2.660 569 F HA 0.258 4.767 4.527 -0.031 0.000 0.352 569 F C -0.034 175.811 175.800 0.075 0.000 1.257 569 F CA -0.841 57.208 58.000 0.082 0.000 1.200 569 F CB 1.017 40.113 39.000 0.159 0.000 1.473 569 F HN -0.304 nan 8.300 nan 0.000 0.561 570 E N 3.281 123.616 120.200 0.225 0.000 2.166 570 E HA 0.216 4.548 4.350 -0.031 0.000 0.279 570 E C 0.299 176.996 176.600 0.162 0.000 1.095 570 E CA -0.285 56.209 56.400 0.156 0.000 0.888 570 E CB 0.872 30.632 29.700 0.100 0.000 1.041 570 E HN 0.540 nan 8.360 nan 0.000 0.414 571 L N 3.440 124.751 121.223 0.147 0.000 2.453 571 L HA -0.143 4.179 4.340 -0.031 0.000 0.283 571 L C 0.362 177.309 176.870 0.128 0.000 1.284 571 L CA 0.407 55.327 54.840 0.132 0.000 0.822 571 L CB 0.141 42.264 42.059 0.105 0.000 1.081 571 L HN 0.540 nan 8.230 nan 0.000 0.562 572 L N -0.339 120.962 121.223 0.130 0.000 2.426 572 L HA 0.576 4.897 4.340 -0.031 0.000 0.260 572 L C -1.313 175.601 176.870 0.073 0.000 1.233 572 L CA -0.336 54.590 54.840 0.144 0.000 1.267 572 L CB 1.780 43.975 42.059 0.228 0.000 1.814 572 L HN 0.636 nan 8.230 nan 0.000 0.561 573 c N 0.151 118.797 118.600 0.077 0.000 3.101 573 c HA 0.256 4.807 4.570 -0.031 0.000 0.401 573 c C 0.882 174.930 174.090 -0.071 0.000 1.075 573 c CA -0.816 55.511 56.329 -0.003 0.000 1.281 573 c CB 0.044 42.589 42.510 0.058 0.000 1.667 573 c HN 0.746 nan 8.230 nan 0.000 0.517 574 L N 3.717 124.741 121.223 -0.332 0.000 2.093 574 L HA 0.006 4.327 4.340 -0.031 0.000 0.208 574 L C 2.265 179.056 176.870 -0.132 0.000 1.085 574 L CA 1.940 56.432 54.840 -0.579 0.000 0.755 574 L CB -0.357 41.350 42.059 -0.585 0.000 0.904 574 L HN 0.850 nan 8.230 nan 0.000 0.435 575 N N -0.146 118.514 118.700 -0.065 0.000 2.091 575 N HA -0.183 4.538 4.740 -0.031 0.000 0.193 575 N C 1.490 177.047 175.510 0.080 0.000 1.021 575 N CA 1.985 55.043 53.050 0.012 0.000 0.862 575 N CB 0.020 38.514 38.487 0.012 0.000 1.018 575 N HN 0.535 nan 8.380 nan 0.000 0.429 576 G N -2.016 106.853 108.800 0.115 0.000 2.624 576 G HA2 -0.206 3.735 3.960 -0.031 0.000 0.190 576 G HA3 -0.206 3.735 3.960 -0.031 0.000 0.190 576 G C 0.498 175.476 174.900 0.129 0.000 1.008 576 G CA 0.592 45.791 45.100 0.165 0.000 0.731 576 G HN 0.666 nan 8.290 nan 0.000 0.478 577 T N -0.507 114.101 114.554 0.091 0.000 2.889 577 T HA 0.668 4.999 4.350 -0.031 0.000 0.340 577 T C 0.261 175.013 174.700 0.087 0.000 1.145 577 T CA 0.676 62.822 62.100 0.077 0.000 0.986 577 T CB 0.859 69.760 68.868 0.055 0.000 1.461 577 T HN 1.351 nan 8.240 nan 0.000 0.541 578 R N -1.013 119.533 120.500 0.077 0.000 2.633 578 R HA 0.744 5.066 4.340 -0.031 0.000 0.256 578 R C -1.832 174.510 176.300 0.070 0.000 1.131 578 R CA -1.085 55.065 56.100 0.084 0.000 0.994 578 R CB 1.058 31.418 30.300 0.101 0.000 1.261 578 R HN 0.540 nan 8.270 nan 0.000 0.446 579 K N 1.411 121.854 120.400 0.072 0.000 2.466 579 K HA 0.650 4.951 4.320 -0.031 0.000 0.260 579 K C -2.800 173.846 176.600 0.077 0.000 1.011 579 K CA -2.306 54.019 56.287 0.064 0.000 0.871 579 K CB 2.146 34.677 32.500 0.051 0.000 1.404 579 K HN 0.424 nan 8.250 nan 0.000 0.450 580 P HA 0.046 nan 4.420 nan 0.000 0.282 580 P C 0.576 177.923 177.300 0.078 0.000 1.249 580 P CA -0.439 62.713 63.100 0.086 0.000 0.806 580 P CB 0.806 32.551 31.700 0.074 0.000 0.984 581 V N 0.792 120.763 119.914 0.096 0.000 2.794 581 V HA -0.251 3.850 4.120 -0.031 0.000 0.260 581 V C 2.306 178.422 176.094 0.037 0.000 1.103 581 V CA 2.261 64.605 62.300 0.073 0.000 1.125 581 V CB -2.149 29.720 31.823 0.077 0.000 0.702 581 V HN 0.568 nan 8.190 nan 0.000 0.494 582 T N 1.459 116.034 114.554 0.035 0.000 2.529 582 T HA -0.191 4.140 4.350 -0.031 0.000 0.261 582 T C 0.797 175.499 174.700 0.003 0.000 1.110 582 T CA 2.043 64.153 62.100 0.015 0.000 1.192 582 T CB -0.328 68.553 68.868 0.022 0.000 0.864 582 T HN 0.863 nan 8.240 nan 0.000 0.407 583 E N 0.992 121.197 120.200 0.009 0.000 1.856 583 E HA 0.553 4.884 4.350 -0.031 0.000 0.263 583 E C 0.138 176.742 176.600 0.007 0.000 1.137 583 E CA -0.078 56.322 56.400 0.000 0.000 1.007 583 E CB 0.459 30.162 29.700 0.005 0.000 1.117 583 E HN 0.336 nan 8.360 nan 0.000 0.438 584 A N 2.806 125.620 122.820 -0.010 0.000 2.308 584 A HA 0.011 4.313 4.320 -0.031 0.000 0.217 584 A C 1.284 178.822 177.584 -0.075 0.000 1.216 584 A CA -0.270 51.767 52.037 -0.001 0.000 0.864 584 A CB -0.022 18.983 19.000 0.008 0.000 0.902 584 A HN 0.359 nan 8.150 nan 0.000 0.499 585 E N 0.548 120.689 120.200 -0.098 0.000 2.478 585 E HA -0.080 4.251 4.350 -0.031 0.000 0.198 585 E C 1.218 177.770 176.600 -0.080 0.000 1.046 585 E CA 1.235 57.549 56.400 -0.143 0.000 0.870 585 E CB 0.057 29.704 29.700 -0.087 0.000 0.818 585 E HN 0.759 nan 8.360 nan 0.000 0.527 586 S N -1.295 114.405 115.700 0.001 0.000 2.784 586 S HA 0.019 4.470 4.470 -0.031 0.000 0.266 586 S C 1.223 175.893 174.600 0.115 0.000 1.079 586 S CA -0.432 57.805 58.200 0.061 0.000 0.989 586 S CB 0.130 63.349 63.200 0.031 0.000 0.926 586 S HN 0.189 nan 8.310 nan 0.000 0.497 587 c N 4.526 123.185 118.600 0.098 0.000 2.541 587 c HA 0.626 5.178 4.570 -0.031 0.000 0.405 587 c C 0.302 174.462 174.090 0.118 0.000 1.345 587 c CA -0.686 55.693 56.329 0.083 0.000 1.677 587 c CB -2.462 40.082 42.510 0.056 0.000 2.361 587 c HN 0.716 nan 8.230 nan 0.000 0.583 588 H N -0.460 118.577 119.070 -0.056 0.000 2.797 588 H HA 0.784 5.322 4.556 -0.031 0.000 0.362 588 H C -0.341 174.912 175.328 -0.124 0.000 1.183 588 H CA -1.194 54.816 56.048 -0.063 0.000 1.197 588 H CB 0.577 30.317 29.762 -0.037 0.000 1.835 588 H HN 0.094 nan 8.280 nan 0.000 0.567 589 L N 0.828 121.906 121.223 -0.242 0.000 2.777 589 L HA 0.298 4.619 4.340 -0.031 0.000 0.195 589 L C -1.716 174.890 176.870 -0.440 0.000 1.190 589 L CA -2.410 52.227 54.840 -0.338 0.000 0.933 589 L CB -0.736 41.220 42.059 -0.172 0.000 1.758 589 L HN 0.720 nan 8.230 nan 0.000 0.515 590 P HA -0.010 nan 4.420 nan 0.000 0.278 590 P C -0.791 176.548 177.300 0.064 0.000 1.270 590 P CA -0.033 62.998 63.100 -0.115 0.000 0.800 590 P CB 0.388 32.127 31.700 0.066 0.000 1.142 591 V N 0.355 120.315 119.914 0.077 0.000 2.311 591 V HA 0.334 4.435 4.120 -0.031 0.000 0.275 591 V C 0.506 176.507 176.094 -0.155 0.000 1.022 591 V CA -0.719 61.590 62.300 0.016 0.000 0.830 591 V CB 0.247 32.092 31.823 0.036 0.000 1.012 591 V HN 0.645 nan 8.190 nan 0.000 0.452 592 A N 9.517 132.192 122.820 -0.241 0.000 2.515 592 A HA 0.485 4.787 4.320 -0.031 0.000 0.263 592 A C -2.064 175.306 177.584 -0.358 0.000 1.096 592 A CA -0.604 51.211 52.037 -0.370 0.000 0.769 592 A CB -0.290 18.431 19.000 -0.465 0.000 1.040 592 A HN 0.591 nan 8.150 nan 0.000 0.505 593 P HA 0.206 nan 4.420 nan 0.000 0.282 593 P C -0.474 176.845 177.300 0.032 0.000 1.259 593 P CA -0.876 62.090 63.100 -0.223 0.000 0.826 593 P CB 0.735 32.226 31.700 -0.348 0.000 1.064 594 N N 0.240 119.011 118.700 0.118 0.000 2.381 594 N HA 0.010 4.732 4.740 -0.031 0.000 0.241 594 N C 0.323 176.081 175.510 0.414 0.000 1.279 594 N CA 0.280 53.492 53.050 0.269 0.000 0.896 594 N CB -0.120 38.491 38.487 0.207 0.000 1.118 594 N HN 0.478 nan 8.380 nan 0.000 0.438 595 H N -0.149 119.057 119.070 0.226 0.000 2.722 595 H HA 0.371 4.909 4.556 -0.031 0.000 0.328 595 H C -0.114 175.351 175.328 0.227 0.000 1.067 595 H CA -0.484 55.693 56.048 0.214 0.000 1.447 595 H CB 0.846 30.731 29.762 0.206 0.000 1.469 595 H HN 0.518 nan 8.280 nan 0.000 0.544 596 A N 3.311 126.280 122.820 0.249 0.000 2.387 596 A HA 0.538 4.840 4.320 -0.031 0.000 0.298 596 A C -0.696 176.976 177.584 0.146 0.000 1.165 596 A CA -0.685 51.448 52.037 0.159 0.000 0.814 596 A CB 1.306 20.230 19.000 -0.127 0.000 1.357 596 A HN 0.463 nan 8.150 nan 0.000 0.443 597 V N 0.849 120.852 119.914 0.148 0.000 2.347 597 V HA 0.388 4.489 4.120 -0.031 0.000 0.280 597 V C -0.384 175.720 176.094 0.017 0.000 1.021 597 V CA -0.438 61.944 62.300 0.136 0.000 0.847 597 V CB 1.006 33.012 31.823 0.304 0.000 0.990 597 V HN 0.578 nan 8.190 nan 0.000 0.444 598 V N 4.890 124.772 119.914 -0.054 0.000 2.394 598 V HA 0.623 4.724 4.120 -0.031 0.000 0.282 598 V C 0.301 176.339 176.094 -0.094 0.000 1.031 598 V CA 0.481 62.734 62.300 -0.078 0.000 0.881 598 V CB 1.950 33.719 31.823 -0.089 0.000 0.982 598 V HN 0.968 nan 8.190 nan 0.000 0.451 599 S N 4.869 120.532 115.700 -0.061 0.000 2.851 599 S HA 0.684 5.135 4.470 -0.031 0.000 0.317 599 S C -0.230 174.346 174.600 -0.041 0.000 1.144 599 S CA -0.814 57.349 58.200 -0.062 0.000 0.862 599 S CB 1.516 64.698 63.200 -0.031 0.000 1.259 599 S HN 0.717 nan 8.310 nan 0.000 0.564 600 R N 0.379 120.862 120.500 -0.028 0.000 2.560 600 R HA 0.393 4.715 4.340 -0.031 0.000 0.270 600 R C 0.821 177.122 176.300 0.002 0.000 1.074 600 R CA -0.251 55.840 56.100 -0.016 0.000 1.140 600 R CB 0.239 30.535 30.300 -0.007 0.000 1.073 600 R HN 0.536 nan 8.270 nan 0.000 0.527 601 I N 1.933 122.505 120.570 0.003 0.000 3.176 601 I HA -0.179 3.973 4.170 -0.031 0.000 0.275 601 I C 1.224 177.360 176.117 0.032 0.000 1.298 601 I CA 1.196 62.505 61.300 0.015 0.000 1.445 601 I CB -0.429 37.573 38.000 0.003 0.000 1.075 601 I HN 0.692 nan 8.210 nan 0.000 0.482 602 D N -0.062 120.358 120.400 0.033 0.000 2.110 602 D HA -0.229 4.393 4.640 -0.031 0.000 0.202 602 D C 2.008 178.344 176.300 0.060 0.000 0.975 602 D CA 0.870 54.899 54.000 0.048 0.000 0.839 602 D CB -0.459 40.364 40.800 0.039 0.000 0.996 602 D HN 0.091 nan 8.370 nan 0.000 0.464 603 K N 1.076 121.508 120.400 0.054 0.000 2.009 603 K HA -0.115 4.187 4.320 -0.031 0.000 0.210 603 K C 2.056 178.722 176.600 0.110 0.000 1.049 603 K CA 1.396 57.733 56.287 0.082 0.000 0.929 603 K CB -0.815 31.722 32.500 0.062 0.000 0.714 603 K HN 0.053 nan 8.250 nan 0.000 0.440 604 V N -0.197 119.765 119.914 0.080 0.000 2.527 604 V HA -0.482 3.619 4.120 -0.031 0.000 0.196 604 V C 2.019 178.170 176.094 0.095 0.000 0.953 604 V CA 3.050 65.397 62.300 0.079 0.000 1.142 604 V CB -1.578 30.282 31.823 0.062 0.000 1.037 604 V HN 0.622 nan 8.190 nan 0.000 0.486 605 A N -1.598 121.284 122.820 0.103 0.000 1.865 605 A HA -0.316 3.985 4.320 -0.031 0.000 0.217 605 A C 1.874 179.533 177.584 0.124 0.000 1.191 605 A CA 2.812 54.913 52.037 0.107 0.000 0.623 605 A CB -0.954 18.111 19.000 0.108 0.000 0.826 605 A HN 1.012 nan 8.150 nan 0.000 0.444 606 H N -0.448 118.659 119.070 0.061 0.000 2.265 606 H HA -0.166 4.372 4.556 -0.030 0.000 0.295 606 H C 1.831 177.198 175.328 0.066 0.000 1.084 606 H CA 2.109 58.191 56.048 0.057 0.000 1.261 606 H CB -0.544 29.245 29.762 0.046 0.000 1.360 606 H HN 0.296 nan 8.280 nan 0.000 0.487 607 L N 0.841 122.069 121.223 0.009 0.000 1.991 607 L HA -0.279 4.043 4.340 -0.031 0.000 0.221 607 L C 2.735 179.619 176.870 0.024 0.000 1.079 607 L CA 2.577 57.427 54.840 0.016 0.000 0.778 607 L CB -0.889 41.233 42.059 0.105 0.000 0.893 607 L HN 0.364 nan 8.230 nan 0.000 0.437 608 R N -0.991 119.542 120.500 0.054 0.000 2.133 608 R HA -0.285 4.036 4.340 -0.031 0.000 0.245 608 R C 2.458 178.771 176.300 0.022 0.000 1.137 608 R CA 2.478 58.612 56.100 0.058 0.000 0.947 608 R CB -0.543 29.793 30.300 0.061 0.000 0.865 608 R HN 0.620 nan 8.270 nan 0.000 0.437 609 Q N -0.403 119.388 119.800 -0.014 0.000 2.135 609 Q HA -0.138 4.183 4.340 -0.031 0.000 0.204 609 Q C 2.008 177.970 176.000 -0.064 0.000 0.981 609 Q CA 1.734 57.519 55.803 -0.031 0.000 0.856 609 Q CB 0.137 28.857 28.738 -0.030 0.000 0.902 609 Q HN 0.294 nan 8.270 nan 0.000 0.425 610 V N 0.481 120.318 119.914 -0.128 0.000 2.871 610 V HA -0.149 3.952 4.120 -0.031 0.000 0.256 610 V C 1.855 177.934 176.094 -0.026 0.000 1.082 610 V CA 0.966 63.187 62.300 -0.132 0.000 1.105 610 V CB -0.054 31.609 31.823 -0.266 0.000 0.713 610 V HN 0.346 nan 8.190 nan 0.000 0.473 611 L N -1.420 119.823 121.223 0.034 0.000 2.416 611 L HA 0.090 4.411 4.340 -0.031 0.000 0.216 611 L C 2.156 179.043 176.870 0.029 0.000 1.098 611 L CA 0.319 55.212 54.840 0.087 0.000 0.840 611 L CB -0.129 42.037 42.059 0.178 0.000 0.981 611 L HN 0.271 nan 8.230 nan 0.000 0.462 612 L N -0.090 121.141 121.223 0.013 0.000 2.056 612 L HA -0.172 4.149 4.340 -0.031 0.000 0.207 612 L C 2.749 179.613 176.870 -0.009 0.000 1.078 612 L CA 1.424 56.266 54.840 0.002 0.000 0.749 612 L CB -0.426 41.636 42.059 0.004 0.000 0.901 612 L HN 0.256 nan 8.230 nan 0.000 0.433 613 R N -0.242 120.239 120.500 -0.031 0.000 2.070 613 R HA -0.153 4.168 4.340 -0.031 0.000 0.233 613 R C 2.282 178.475 176.300 -0.179 0.000 1.137 613 R CA 1.160 57.212 56.100 -0.079 0.000 0.945 613 R CB -0.489 29.750 30.300 -0.103 0.000 0.845 613 R HN 0.246 nan 8.270 nan 0.000 0.430 614 Q N 0.576 120.285 119.800 -0.153 0.000 2.047 614 Q HA -0.303 4.018 4.340 -0.031 0.000 0.211 614 Q C 2.037 177.918 176.000 -0.198 0.000 1.005 614 Q CA 2.410 58.110 55.803 -0.173 0.000 0.866 614 Q CB -0.656 28.169 28.738 0.145 0.000 0.938 614 Q HN 0.626 nan 8.270 nan 0.000 0.414 615 Q N -0.205 119.535 119.800 -0.100 0.000 2.077 615 Q HA -0.157 4.164 4.340 -0.031 0.000 0.206 615 Q C 1.857 177.871 176.000 0.023 0.000 0.989 615 Q CA 2.111 57.894 55.803 -0.032 0.000 0.853 615 Q CB -0.372 28.374 28.738 0.013 0.000 0.907 615 Q HN 0.324 nan 8.270 nan 0.000 0.418 616 A N 0.013 122.846 122.820 0.021 0.000 2.139 616 A HA -0.228 4.073 4.320 -0.031 0.000 0.221 616 A C 1.410 179.081 177.584 0.145 0.000 1.159 616 A CA 1.754 53.836 52.037 0.075 0.000 0.662 616 A CB -0.788 18.266 19.000 0.090 0.000 0.796 616 A HN 0.739 nan 8.150 nan 0.000 0.463 617 H N -3.868 115.135 119.070 -0.112 0.000 2.615 617 H HA 0.253 4.790 4.556 -0.031 0.000 0.275 617 H C 0.784 176.183 175.328 0.118 0.000 0.981 617 H CA 0.378 56.372 56.048 -0.091 0.000 1.252 617 H CB 0.350 29.961 29.762 -0.253 0.000 1.447 617 H HN 0.582 nan 8.280 nan 0.000 0.498 618 F N 1.010 121.019 119.950 0.098 0.000 2.688 618 F HA 0.295 4.804 4.527 -0.031 0.000 0.310 618 F C 1.389 177.136 175.800 -0.089 0.000 1.098 618 F CA -0.663 57.327 58.000 -0.016 0.000 1.228 618 F CB 1.219 40.189 39.000 -0.049 0.000 1.042 618 F HN 0.014 nan 8.300 nan 0.000 0.557 619 G N 0.043 108.938 108.800 0.160 0.000 2.547 619 G HA2 0.256 4.197 3.960 -0.031 0.000 0.291 619 G HA3 0.256 4.197 3.960 -0.031 0.000 0.291 619 G C 0.556 175.562 174.900 0.177 0.000 1.211 619 G CA -0.302 44.948 45.100 0.251 0.000 0.950 619 G HN -0.038 nan 8.290 nan 0.000 0.504 620 R N -0.263 120.314 120.500 0.128 0.000 2.234 620 R HA -0.195 4.126 4.340 -0.031 0.000 0.262 620 R C 1.609 177.909 176.300 -0.001 0.000 1.150 620 R CA 2.050 58.146 56.100 -0.007 0.000 0.981 620 R CB -0.567 29.644 30.300 -0.148 0.000 0.899 620 R HN 0.584 nan 8.270 nan 0.000 0.458 621 N N -0.409 118.296 118.700 0.009 0.000 2.320 621 N HA 0.189 4.910 4.740 -0.031 0.000 0.237 621 N C -0.739 174.794 175.510 0.038 0.000 1.129 621 N CA 0.229 53.287 53.050 0.013 0.000 0.854 621 N CB 0.702 39.191 38.487 0.003 0.000 1.083 621 N HN 0.265 nan 8.380 nan 0.000 0.504 622 G N 1.074 109.913 108.800 0.064 0.000 2.178 622 G HA2 -0.131 3.810 3.960 -0.031 0.000 0.244 622 G HA3 -0.131 3.810 3.960 -0.031 0.000 0.244 622 G C 0.586 175.527 174.900 0.068 0.000 1.213 622 G CA -0.129 45.033 45.100 0.102 0.000 0.912 622 G HN 0.602 nan 8.290 nan 0.000 0.474 623 E N 1.079 121.311 120.200 0.053 0.000 2.321 623 E HA 0.184 4.515 4.350 -0.031 0.000 0.189 623 E C -0.348 176.268 176.600 0.028 0.000 1.125 623 E CA 0.094 56.502 56.400 0.012 0.000 1.005 623 E CB 0.314 29.987 29.700 -0.045 0.000 1.140 623 E HN 0.405 nan 8.360 nan 0.000 0.457 624 D N -1.560 118.898 120.400 0.097 0.000 2.649 624 D HA -0.050 4.572 4.640 -0.031 0.000 0.507 624 D C 0.642 177.049 176.300 0.179 0.000 1.091 624 D CA -0.150 53.946 54.000 0.160 0.000 1.076 624 D CB -0.918 40.066 40.800 0.306 0.000 1.647 624 D HN 0.296 nan 8.370 nan 0.000 0.356 625 c N 1.734 120.414 118.600 0.134 0.000 3.206 625 c HA 0.018 4.569 4.570 -0.031 0.000 0.294 625 c C -0.327 173.760 174.090 -0.006 0.000 1.244 625 c CA 1.618 57.986 56.329 0.066 0.000 1.787 625 c CB -0.983 41.540 42.510 0.021 0.000 2.096 625 c HN 0.185 nan 8.230 nan 0.000 0.449 626 P HA -0.070 nan 4.420 nan 0.000 0.217 626 P C 1.659 178.952 177.300 -0.013 0.000 1.162 626 P CA 3.016 66.102 63.100 -0.022 0.000 0.901 626 P CB -0.872 30.820 31.700 -0.012 0.000 0.793 627 G N -0.897 107.911 108.800 0.012 0.000 2.550 627 G HA2 -0.275 3.667 3.960 -0.031 0.000 0.222 627 G HA3 -0.275 3.667 3.960 -0.031 0.000 0.222 627 G C 1.495 176.416 174.900 0.035 0.000 1.113 627 G CA 1.814 46.930 45.100 0.027 0.000 0.748 627 G HN 0.333 nan 8.290 nan 0.000 0.585 628 K N -2.392 118.027 120.400 0.032 0.000 2.644 628 K HA 0.416 4.717 4.320 -0.031 0.000 0.231 628 K C -0.473 176.104 176.600 -0.038 0.000 1.493 628 K CA -0.439 55.863 56.287 0.024 0.000 0.836 628 K CB 0.429 32.992 32.500 0.105 0.000 1.853 628 K HN 0.130 nan 8.250 nan 0.000 0.390 629 F N 0.346 120.063 119.950 -0.388 0.000 2.593 629 F HA 0.563 5.072 4.527 -0.031 0.000 0.320 629 F C -1.538 173.984 175.800 -0.464 0.000 1.060 629 F CA -1.547 56.134 58.000 -0.532 0.000 0.940 629 F CB 1.686 40.124 39.000 -0.936 0.000 1.268 629 F HN 0.108 nan 8.300 nan 0.000 0.475 630 c N 5.782 123.578 118.600 -1.341 0.000 2.364 630 c HA 0.365 4.917 4.570 -0.031 0.000 0.324 630 c C 1.205 174.672 174.090 -1.037 0.000 1.234 630 c CA -0.713 55.119 56.329 -0.829 0.000 1.417 630 c CB 0.587 42.838 42.510 -0.431 0.000 2.101 630 c HN 0.987 nan 8.230 nan 0.000 0.466 631 L N 2.312 123.133 121.223 -0.671 0.000 1.971 631 L HA -0.076 4.246 4.340 -0.031 0.000 0.215 631 L C 1.849 178.202 176.870 -0.863 0.000 1.072 631 L CA 2.373 56.684 54.840 -0.882 0.000 0.758 631 L CB -0.625 40.786 42.059 -1.080 0.000 0.889 631 L HN 0.754 nan 8.230 nan 0.000 0.433 632 F N -1.398 118.366 119.950 -0.311 0.000 2.367 632 F HA 0.001 4.509 4.527 -0.031 0.000 0.298 632 F C 1.403 177.129 175.800 -0.125 0.000 1.094 632 F CA 0.043 57.933 58.000 -0.183 0.000 1.409 632 F CB -0.529 38.374 39.000 -0.161 0.000 1.064 632 F HN 0.047 nan 8.300 nan 0.000 0.528 633 Q N 1.916 121.668 119.800 -0.081 0.000 2.320 633 Q HA 0.064 4.385 4.340 -0.031 0.000 0.262 633 Q C 0.461 176.396 176.000 -0.107 0.000 1.225 633 Q CA -0.330 55.411 55.803 -0.103 0.000 0.916 633 Q CB 0.145 28.773 28.738 -0.184 0.000 1.417 633 Q HN 0.323 nan 8.270 nan 0.000 0.462 634 S N 1.972 117.656 115.700 -0.027 0.000 2.634 634 S HA 0.191 4.643 4.470 -0.031 0.000 0.261 634 S C 0.263 174.864 174.600 0.001 0.000 1.271 634 S CA -0.899 57.303 58.200 0.003 0.000 0.985 634 S CB 0.939 64.163 63.200 0.039 0.000 0.968 634 S HN 0.571 nan 8.310 nan 0.000 0.568 635 K N 1.621 122.034 120.400 0.022 0.000 2.751 635 K HA 0.126 4.427 4.320 -0.031 0.000 0.252 635 K C -0.167 176.447 176.600 0.024 0.000 1.277 635 K CA 0.349 56.650 56.287 0.022 0.000 1.226 635 K CB -1.604 30.916 32.500 0.033 0.000 1.658 635 K HN 0.902 nan 8.250 nan 0.000 0.303 636 T N 0.210 114.776 114.554 0.019 0.000 3.110 636 T HA -0.248 4.084 4.350 -0.031 0.000 0.445 636 T C -0.132 174.587 174.700 0.032 0.000 0.772 636 T CA 1.464 63.577 62.100 0.023 0.000 2.271 636 T CB -1.517 67.361 68.868 0.017 0.000 1.657 636 T HN 0.852 nan 8.240 nan 0.000 0.594 637 K N -0.166 120.259 120.400 0.042 0.000 2.575 637 K HA 0.229 4.530 4.320 -0.031 0.000 0.160 637 K C 0.249 176.889 176.600 0.066 0.000 1.410 637 K CA -0.205 56.112 56.287 0.051 0.000 1.112 637 K CB -0.602 31.926 32.500 0.046 0.000 1.247 637 K HN 0.411 nan 8.250 nan 0.000 0.510 638 N N 1.645 120.386 118.700 0.069 0.000 2.747 638 N HA -0.152 4.569 4.740 -0.031 0.000 0.249 638 N C -0.953 174.616 175.510 0.098 0.000 1.107 638 N CA 0.312 53.416 53.050 0.090 0.000 0.707 638 N CB -0.876 37.671 38.487 0.100 0.000 1.054 638 N HN 0.326 nan 8.380 nan 0.000 0.555 639 L N 1.254 122.527 121.223 0.082 0.000 2.418 639 L HA 0.143 4.465 4.340 -0.031 0.000 0.274 639 L C 1.691 178.609 176.870 0.079 0.000 1.135 639 L CA 0.173 55.061 54.840 0.080 0.000 0.870 639 L CB 0.356 42.459 42.059 0.074 0.000 1.154 639 L HN 0.336 nan 8.230 nan 0.000 0.462 640 L N 1.841 123.099 121.223 0.059 0.000 3.566 640 L HA -0.356 3.965 4.340 -0.031 0.000 0.071 640 L C -0.110 176.609 176.870 -0.251 0.000 4.379 640 L CA 1.404 56.219 54.840 -0.041 0.000 0.580 640 L CB -0.960 41.077 42.059 -0.037 0.000 3.524 640 L HN 0.385 nan 8.230 nan 0.000 0.876 641 F N 0.324 120.312 119.950 0.062 0.000 2.507 641 F HA 0.398 4.906 4.527 -0.031 0.000 0.327 641 F C 0.793 176.650 175.800 0.096 0.000 1.068 641 F CA -0.686 57.370 58.000 0.093 0.000 0.965 641 F CB 0.570 39.577 39.000 0.011 0.000 1.192 641 F HN 0.054 nan 8.300 nan 0.000 0.476 642 N N 1.974 120.844 118.700 0.284 0.000 2.454 642 N HA -0.090 4.631 4.740 -0.031 0.000 0.260 642 N C 0.631 176.246 175.510 0.175 0.000 1.218 642 N CA 0.290 53.434 53.050 0.157 0.000 0.904 642 N CB 0.625 39.117 38.487 0.010 0.000 1.065 642 N HN 0.648 nan 8.380 nan 0.000 0.462 643 D N 1.693 122.161 120.400 0.112 0.000 2.133 643 D HA -0.174 4.447 4.640 -0.031 0.000 0.195 643 D C 0.483 176.821 176.300 0.065 0.000 0.997 643 D CA 1.314 55.368 54.000 0.091 0.000 0.840 643 D CB -0.007 40.826 40.800 0.054 0.000 0.947 643 D HN 0.676 nan 8.370 nan 0.000 0.452 644 N N 1.118 119.835 118.700 0.029 0.000 2.466 644 N HA -0.022 4.699 4.740 -0.031 0.000 0.251 644 N C -0.227 175.249 175.510 -0.058 0.000 1.164 644 N CA 0.077 53.116 53.050 -0.018 0.000 0.888 644 N CB 0.090 38.561 38.487 -0.027 0.000 1.177 644 N HN 0.068 nan 8.380 nan 0.000 0.498 645 T N -2.795 111.718 114.554 -0.068 0.000 2.794 645 T HA 0.254 4.585 4.350 -0.031 0.000 0.280 645 T C 0.910 175.290 174.700 -0.532 0.000 0.987 645 T CA -0.656 61.333 62.100 -0.185 0.000 0.993 645 T CB 2.840 71.699 68.868 -0.015 0.000 0.939 645 T HN -0.175 nan 8.240 nan 0.000 0.449 646 E N 0.903 120.846 120.200 -0.428 0.000 2.028 646 E HA 0.011 4.343 4.350 -0.031 0.000 0.191 646 E C 0.975 177.175 176.600 -0.666 0.000 0.988 646 E CA 1.086 57.222 56.400 -0.440 0.000 0.799 646 E CB -0.230 29.325 29.700 -0.242 0.000 0.755 646 E HN 0.961 nan 8.360 nan 0.000 0.447 647 c N -2.432 115.860 118.600 -0.514 0.000 3.284 647 c HA 0.641 5.192 4.570 -0.031 0.000 0.348 647 c C -1.081 172.944 174.090 -0.108 0.000 1.448 647 c CA -1.476 54.603 56.329 -0.416 0.000 1.223 647 c CB 0.004 42.386 42.510 -0.214 0.000 1.588 647 c HN 0.089 nan 8.230 nan 0.000 0.451 648 L N 2.227 123.481 121.223 0.051 0.000 2.265 648 L HA 0.672 4.993 4.340 -0.031 0.000 0.288 648 L C 0.519 177.407 176.870 0.031 0.000 1.058 648 L CA 0.038 54.936 54.840 0.096 0.000 0.809 648 L CB 1.067 43.209 42.059 0.139 0.000 1.179 648 L HN 1.004 nan 8.230 nan 0.000 0.429 649 A N 4.027 126.872 122.820 0.041 0.000 2.332 649 A HA 0.509 4.810 4.320 -0.031 0.000 0.300 649 A C -0.369 177.242 177.584 0.045 0.000 1.153 649 A CA -0.904 51.134 52.037 0.002 0.000 0.764 649 A CB 0.630 19.621 19.000 -0.015 0.000 1.174 649 A HN 0.625 nan 8.150 nan 0.000 0.467 650 K N 2.382 122.791 120.400 0.016 0.000 2.599 650 K HA -0.105 4.196 4.320 -0.031 0.000 0.275 650 K C 0.472 177.121 176.600 0.082 0.000 0.983 650 K CA -0.021 56.292 56.287 0.043 0.000 1.076 650 K CB 0.329 32.828 32.500 -0.001 0.000 0.822 650 K HN 0.557 nan 8.250 nan 0.000 0.485 651 L N 1.896 123.188 121.223 0.115 0.000 2.156 651 L HA -0.159 4.162 4.340 -0.031 0.000 0.208 651 L C 1.337 178.269 176.870 0.103 0.000 1.095 651 L CA 1.495 56.425 54.840 0.149 0.000 0.770 651 L CB -1.684 40.523 42.059 0.247 0.000 0.914 651 L HN 0.991 nan 8.230 nan 0.000 0.439 652 Q N -0.413 119.435 119.800 0.081 0.000 2.488 652 Q HA -0.165 4.156 4.340 -0.031 0.000 0.279 652 Q C 0.531 176.562 176.000 0.052 0.000 1.174 652 Q CA 0.646 56.486 55.803 0.062 0.000 0.888 652 Q CB -2.587 26.182 28.738 0.052 0.000 1.254 652 Q HN 0.659 nan 8.270 nan 0.000 0.475 653 G N 0.350 109.185 108.800 0.058 0.000 2.165 653 G HA2 -0.253 3.688 3.960 -0.031 0.000 0.226 653 G HA3 -0.253 3.688 3.960 -0.031 0.000 0.226 653 G C 0.030 174.960 174.900 0.050 0.000 1.035 653 G CA 0.286 45.414 45.100 0.047 0.000 0.744 653 G HN 0.377 nan 8.290 nan 0.000 0.501 654 K N -0.006 120.441 120.400 0.079 0.000 3.257 654 K HA 0.181 4.482 4.320 -0.031 0.000 0.196 654 K C 1.471 178.184 176.600 0.187 0.000 1.089 654 K CA 0.434 56.789 56.287 0.113 0.000 0.959 654 K CB 0.448 33.000 32.500 0.087 0.000 0.719 654 K HN 0.392 nan 8.250 nan 0.000 0.446 655 T N -2.493 112.139 114.554 0.130 0.000 3.054 655 T HA 0.022 4.353 4.350 -0.031 0.000 0.259 655 T C 0.975 175.743 174.700 0.114 0.000 1.092 655 T CA 0.773 62.942 62.100 0.115 0.000 1.121 655 T CB 0.131 69.047 68.868 0.080 0.000 0.912 655 T HN -0.010 nan 8.240 nan 0.000 0.489 656 T N 1.162 115.790 114.554 0.123 0.000 2.849 656 T HA 0.358 4.690 4.350 -0.031 0.000 0.276 656 T C 0.745 175.565 174.700 0.200 0.000 0.971 656 T CA -0.108 62.072 62.100 0.133 0.000 0.949 656 T CB 0.759 69.675 68.868 0.080 0.000 1.093 656 T HN 0.407 nan 8.240 nan 0.000 0.545 657 Y N 0.810 121.163 120.300 0.088 0.000 2.243 657 Y HA 0.044 4.576 4.550 -0.031 0.000 0.293 657 Y C 1.520 177.542 175.900 0.203 0.000 1.124 657 Y CA 1.451 59.621 58.100 0.116 0.000 1.159 657 Y CB -1.020 37.494 38.460 0.090 0.000 1.008 657 Y HN 0.581 nan 8.280 nan 0.000 0.527 658 D N -0.283 119.905 120.400 -0.353 0.000 2.346 658 D HA -0.046 4.576 4.640 -0.031 0.000 0.206 658 D C 1.645 177.895 176.300 -0.084 0.000 1.001 658 D CA 0.905 54.711 54.000 -0.324 0.000 0.871 658 D CB -0.298 40.191 40.800 -0.518 0.000 0.943 658 D HN 0.513 nan 8.370 nan 0.000 0.518 659 E N -0.354 119.835 120.200 -0.018 0.000 2.208 659 E HA -0.174 4.157 4.350 -0.031 0.000 0.193 659 E C 1.521 178.168 176.600 0.079 0.000 0.988 659 E CA 0.683 57.100 56.400 0.029 0.000 0.828 659 E CB -0.270 29.455 29.700 0.041 0.000 0.763 659 E HN 0.507 nan 8.360 nan 0.000 0.478 660 Y N -0.576 119.727 120.300 0.006 0.000 2.231 660 Y HA -0.024 4.507 4.550 -0.031 0.000 0.294 660 Y C 1.539 177.436 175.900 -0.006 0.000 1.120 660 Y CA 0.852 58.965 58.100 0.021 0.000 1.141 660 Y CB 0.023 38.521 38.460 0.062 0.000 1.022 660 Y HN 0.077 nan 8.280 nan 0.000 0.523 661 L N 0.406 121.753 121.223 0.206 0.000 2.240 661 L HA 0.228 4.549 4.340 -0.031 0.000 0.211 661 L C 0.990 177.844 176.870 -0.026 0.000 1.106 661 L CA 1.640 56.527 54.840 0.079 0.000 0.793 661 L CB -1.382 40.852 42.059 0.291 0.000 0.927 661 L HN 0.456 nan 8.230 nan 0.000 0.446 662 G N -0.898 107.917 108.800 0.023 0.000 2.788 662 G HA2 -0.094 3.847 3.960 -0.031 0.000 0.686 662 G HA3 -0.094 3.847 3.960 -0.031 0.000 0.686 662 G C -2.171 172.763 174.900 0.056 0.000 1.147 662 G CA -0.326 44.787 45.100 0.023 0.000 0.755 662 G HN 0.005 nan 8.290 nan 0.000 0.634 663 P HA 0.033 nan 4.420 nan 0.000 0.245 663 P C 1.198 178.481 177.300 -0.029 0.000 1.212 663 P CA 0.943 64.033 63.100 -0.017 0.000 0.774 663 P CB 0.263 31.945 31.700 -0.030 0.000 0.999 664 Q N -2.111 117.674 119.800 -0.024 0.000 2.259 664 Q HA -0.035 4.286 4.340 -0.031 0.000 0.201 664 Q C 1.845 177.807 176.000 -0.063 0.000 0.938 664 Q CA 0.671 56.437 55.803 -0.061 0.000 0.872 664 Q CB -0.659 28.021 28.738 -0.097 0.000 0.971 664 Q HN 0.166 nan 8.270 nan 0.000 0.494 665 Y N 1.004 121.243 120.300 -0.103 0.000 2.114 665 Y HA -0.261 4.271 4.550 -0.031 0.000 0.284 665 Y C 2.104 177.935 175.900 -0.114 0.000 1.143 665 Y CA 1.347 59.391 58.100 -0.094 0.000 1.135 665 Y CB -0.159 38.263 38.460 -0.064 0.000 0.980 665 Y HN -0.136 nan 8.280 nan 0.000 0.499 666 V N -0.274 119.596 119.914 -0.072 0.000 2.252 666 V HA -0.414 3.688 4.120 -0.031 0.000 0.249 666 V C 2.212 178.155 176.094 -0.253 0.000 1.056 666 V CA 2.523 64.723 62.300 -0.167 0.000 1.022 666 V CB -1.270 30.513 31.823 -0.066 0.000 0.641 666 V HN 0.523 nan 8.190 nan 0.000 0.445 667 T N 0.449 114.902 114.554 -0.168 0.000 2.595 667 T HA -0.237 4.094 4.350 -0.031 0.000 0.264 667 T C 2.079 176.670 174.700 -0.183 0.000 1.058 667 T CA 1.867 63.884 62.100 -0.138 0.000 1.166 667 T CB -0.773 68.044 68.868 -0.084 0.000 0.863 667 T HN 0.597 nan 8.240 nan 0.000 0.415 668 A N 2.127 124.815 122.820 -0.220 0.000 1.893 668 A HA -0.223 4.078 4.320 -0.031 0.000 0.222 668 A C 2.203 179.601 177.584 -0.310 0.000 1.309 668 A CA 2.317 54.199 52.037 -0.259 0.000 0.681 668 A CB -1.036 17.757 19.000 -0.345 0.000 0.842 668 A HN 0.468 nan 8.150 nan 0.000 0.468 669 I N -0.238 120.037 120.570 -0.493 0.000 2.394 669 I HA -0.120 4.031 4.170 -0.031 0.000 0.251 669 I C 2.830 178.657 176.117 -0.483 0.000 1.136 669 I CA 0.972 61.953 61.300 -0.531 0.000 1.425 669 I CB -2.038 35.550 38.000 -0.687 0.000 1.079 669 I HN 0.357 nan 8.210 nan 0.000 0.425 670 A N 1.159 123.713 122.820 -0.443 0.000 1.873 670 A HA -0.233 4.068 4.320 -0.031 0.000 0.215 670 A C 2.340 179.869 177.584 -0.091 0.000 1.186 670 A CA 1.968 53.859 52.037 -0.243 0.000 0.616 670 A CB -0.512 18.402 19.000 -0.143 0.000 0.823 670 A HN 0.297 nan 8.150 nan 0.000 0.442 671 K N -0.053 120.305 120.400 -0.070 0.000 2.001 671 K HA -0.149 4.152 4.320 -0.031 0.000 0.214 671 K C 1.623 178.262 176.600 0.065 0.000 1.050 671 K CA 1.842 58.141 56.287 0.020 0.000 0.934 671 K CB -0.917 31.613 32.500 0.049 0.000 0.718 671 K HN 0.259 nan 8.250 nan 0.000 0.443 672 L N 0.674 121.914 121.223 0.029 0.000 2.013 672 L HA -0.133 4.188 4.340 -0.031 0.000 0.212 672 L C 2.544 179.431 176.870 0.028 0.000 1.073 672 L CA 1.830 56.688 54.840 0.030 0.000 0.753 672 L CB -0.644 41.358 42.059 -0.095 0.000 0.890 672 L HN 0.159 nan 8.230 nan 0.000 0.432 673 R N -0.398 120.097 120.500 -0.008 0.000 2.237 673 R HA -0.083 4.239 4.340 -0.031 0.000 0.219 673 R C 2.183 178.525 176.300 0.070 0.000 1.080 673 R CA 0.912 57.034 56.100 0.038 0.000 0.995 673 R CB -0.206 30.149 30.300 0.092 0.000 0.875 673 R HN 0.337 nan 8.270 nan 0.000 0.462 674 R N -1.899 118.643 120.500 0.069 0.000 2.153 674 R HA 0.031 4.352 4.340 -0.031 0.000 0.218 674 R C 2.076 178.419 176.300 0.071 0.000 1.072 674 R CA 1.182 57.324 56.100 0.070 0.000 0.990 674 R CB -0.540 29.798 30.300 0.064 0.000 0.889 674 R HN 0.148 nan 8.270 nan 0.000 0.452 675 c N 0.160 118.815 118.600 0.092 0.000 2.486 675 c HA 0.064 4.615 4.570 -0.031 0.000 0.279 675 c C 1.370 175.510 174.090 0.084 0.000 1.302 675 c CA 0.330 56.729 56.329 0.116 0.000 1.720 675 c CB -0.416 42.233 42.510 0.233 0.000 2.030 675 c HN 0.469 nan 8.230 nan 0.000 0.490 676 S N 0.866 116.602 115.700 0.061 0.000 2.532 676 S HA 0.381 4.832 4.470 -0.031 0.000 0.318 676 S C -0.329 174.291 174.600 0.034 0.000 1.083 676 S CA -0.180 58.041 58.200 0.034 0.000 1.131 676 S CB 0.594 63.798 63.200 0.006 0.000 0.973 676 S HN 0.512 nan 8.310 nan 0.000 0.468 677 T N 2.019 116.596 114.554 0.037 0.000 2.919 677 T HA 0.389 4.720 4.350 -0.031 0.000 0.302 677 T C 0.099 174.822 174.700 0.038 0.000 1.031 677 T CA -0.231 61.893 62.100 0.041 0.000 1.127 677 T CB 0.684 69.574 68.868 0.037 0.000 0.952 677 T HN 0.926 nan 8.240 nan 0.000 0.540 678 S N 5.150 120.878 115.700 0.045 0.000 2.530 678 S HA 0.496 4.947 4.470 -0.031 0.000 0.322 678 S C -1.563 173.060 174.600 0.038 0.000 1.085 678 S CA -1.667 56.562 58.200 0.048 0.000 1.096 678 S CB 1.661 64.897 63.200 0.060 0.000 0.988 678 S HN 0.674 nan 8.310 nan 0.000 0.466 679 P HA -0.113 nan 4.420 nan 0.000 0.219 679 P C 1.470 178.781 177.300 0.018 0.000 1.146 679 P CA 0.588 63.699 63.100 0.018 0.000 0.808 679 P CB 0.050 31.755 31.700 0.008 0.000 0.779 680 L N -1.028 120.210 121.223 0.026 0.000 2.217 680 L HA -0.026 4.295 4.340 -0.031 0.000 0.211 680 L C 2.192 179.067 176.870 0.008 0.000 1.107 680 L CA 1.367 56.217 54.840 0.017 0.000 0.783 680 L CB -1.114 40.957 42.059 0.020 0.000 0.919 680 L HN -0.130 nan 8.230 nan 0.000 0.442 681 L N -0.093 121.136 121.223 0.011 0.000 2.095 681 L HA -0.122 4.199 4.340 -0.031 0.000 0.204 681 L C 2.430 179.312 176.870 0.021 0.000 1.080 681 L CA 2.013 56.850 54.840 -0.005 0.000 0.759 681 L CB -0.778 41.282 42.059 0.003 0.000 0.914 681 L HN 0.567 nan 8.230 nan 0.000 0.439 682 E N 1.181 121.403 120.200 0.036 0.000 2.023 682 E HA -0.218 4.113 4.350 -0.031 0.000 0.196 682 E C 2.021 178.674 176.600 0.087 0.000 1.003 682 E CA 1.941 58.373 56.400 0.053 0.000 0.809 682 E CB -1.033 28.684 29.700 0.030 0.000 0.755 682 E HN 0.364 nan 8.360 nan 0.000 0.449 683 A N 0.705 123.561 122.820 0.059 0.000 1.865 683 A HA -0.205 4.096 4.320 -0.031 0.000 0.217 683 A C 2.640 180.298 177.584 0.124 0.000 1.191 683 A CA 1.738 53.827 52.037 0.087 0.000 0.623 683 A CB -1.279 17.746 19.000 0.041 0.000 0.826 683 A HN 0.531 nan 8.150 nan 0.000 0.444 684 c N -1.114 117.518 118.600 0.052 0.000 2.398 684 c HA -0.087 4.464 4.570 -0.031 0.000 0.276 684 c C 3.339 177.440 174.090 0.018 0.000 1.222 684 c CA 1.161 57.500 56.329 0.017 0.000 1.746 684 c CB -1.419 41.067 42.510 -0.040 0.000 2.039 684 c HN 0.706 nan 8.230 nan 0.000 0.470 685 A N -0.721 122.122 122.820 0.039 0.000 1.969 685 A HA -0.128 4.174 4.320 -0.031 0.000 0.218 685 A C 1.906 179.506 177.584 0.027 0.000 1.169 685 A CA 1.449 53.505 52.037 0.032 0.000 0.635 685 A CB -0.788 18.244 19.000 0.052 0.000 0.810 685 A HN 0.582 nan 8.150 nan 0.000 0.445 686 F N 0.753 120.698 119.950 -0.010 0.000 2.216 686 F HA -0.089 4.419 4.527 -0.032 0.000 0.300 686 F C 1.510 177.303 175.800 -0.011 0.000 1.085 686 F CA 1.450 59.446 58.000 -0.006 0.000 1.326 686 F CB -0.252 38.741 39.000 -0.012 0.000 1.027 686 F HN 0.125 nan 8.300 nan 0.000 0.497 687 L N -0.167 120.846 121.223 -0.351 0.000 2.552 687 L HA -0.006 4.315 4.340 -0.031 0.000 0.227 687 L C -0.201 176.449 176.870 -0.366 0.000 1.146 687 L CA 0.153 54.766 54.840 -0.380 0.000 0.858 687 L CB -0.538 41.421 42.059 -0.166 0.000 0.969 687 L HN 0.064 nan 8.230 nan 0.000 0.451 688 M N 0.034 119.508 119.600 -0.211 0.000 2.036 688 M HA 0.427 4.888 4.480 -0.031 0.000 0.337 688 M C -0.216 176.059 176.300 -0.042 0.000 1.012 688 M CA 0.257 55.542 55.300 -0.025 0.000 0.962 688 M CB 1.333 33.959 32.600 0.043 0.000 1.423 688 M HN -0.092 nan 8.290 nan 0.000 0.405 689 R N 0.000 120.500 120.500 -0.000 0.000 2.786 689 R HA 0.000 4.321 4.340 -0.031 0.000 0.208 689 R CA 0.000 56.044 56.100 -0.094 0.000 0.921 689 R CB 0.000 30.164 30.300 -0.226 0.000 0.687 689 R HN 0.000 nan 8.270 nan 0.000 0.535