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 1zl2_1_F DATA FIRST_RESID 4003 DATA SEQUENCE KSDVFHLGLT KNDLQGAQLA IVPGDPERVE KIAALMDKPV KLASHREFTS DATA SEQUENCE WRAELDGKAV IVCSTGIGGP STSIAVEELA QLGIRTFLRI GTTGAIQPHI DATA SEQUENCE NVGDVLVTTA SVRLDGASLH FAPMEFPAVA DFACTTALVE AAKSIGATTH DATA SEQUENCE VGVTASSDTF YPGQERYDTY SGRVVRRFKG SMEEWQAMGV MNYEMESATL DATA SEQUENCE LTMCASQGLR AGMVAGVIVN RTQQEXXXXX XXXXXXSHAV KIVVEAARRL DATA SEQUENCE L 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 4003 K HA 0.000 nan 4.320 nan 0.000 0.191 4003 K C 0.000 176.608 176.600 0.013 0.000 0.988 4003 K CA 0.000 56.292 56.287 0.009 0.000 0.838 4003 K CB 0.000 32.501 32.500 0.002 0.000 1.064 4004 S N 1.168 116.875 115.700 0.011 0.000 2.590 4004 S HA 0.347 4.817 4.470 0.000 0.000 0.286 4004 S C -1.097 173.519 174.600 0.027 0.000 1.147 4004 S CA -0.445 57.765 58.200 0.017 0.000 0.963 4004 S CB 1.353 64.552 63.200 -0.001 0.000 1.124 4004 S HN 0.246 nan 8.310 nan 0.000 0.458 4005 D N 1.953 122.372 120.400 0.031 0.000 2.355 4005 D HA 0.096 4.737 4.640 0.000 0.000 0.218 4005 D C 0.976 177.308 176.300 0.053 0.000 1.004 4005 D CA 1.011 55.032 54.000 0.036 0.000 0.880 4005 D CB 0.353 41.171 40.800 0.029 0.000 0.911 4005 D HN 0.511 nan 8.370 nan 0.000 0.528 4006 V N -2.427 117.524 119.914 0.062 0.000 2.914 4006 V HA 0.341 4.462 4.120 0.000 0.000 0.314 4006 V C 0.914 177.085 176.094 0.129 0.000 1.084 4006 V CA -1.025 61.332 62.300 0.095 0.000 0.963 4006 V CB 1.792 33.659 31.823 0.073 0.000 1.025 4006 V HN -0.210 nan 8.190 nan 0.000 0.432 4007 F N 1.758 121.699 119.950 -0.015 0.000 2.171 4007 F HA 0.010 4.537 4.527 0.000 0.000 0.300 4007 F C 1.872 177.539 175.800 -0.221 0.000 1.090 4007 F CA 2.505 60.432 58.000 -0.121 0.000 1.293 4007 F CB -0.218 38.687 39.000 -0.159 0.000 1.013 4007 F HN 0.843 nan 8.300 nan 0.000 0.486 4008 H N -1.433 117.542 119.070 -0.159 0.000 2.506 4008 H HA 0.234 4.790 4.556 0.000 0.000 0.289 4008 H C 2.115 177.387 175.328 -0.094 0.000 1.009 4008 H CA 0.935 56.850 56.048 -0.222 0.000 1.303 4008 H CB -0.314 29.372 29.762 -0.126 0.000 1.453 4008 H HN 0.127 nan 8.280 nan 0.000 0.526 4009 L N -0.206 121.020 121.223 0.005 0.000 2.275 4009 L HA 0.069 4.410 4.340 0.000 0.000 0.215 4009 L C 1.272 178.252 176.870 0.184 0.000 1.119 4009 L CA 0.847 55.723 54.840 0.059 0.000 0.790 4009 L CB -0.463 41.580 42.059 -0.027 0.000 0.919 4009 L HN 0.553 nan 8.230 nan 0.000 0.443 4010 G N 1.042 109.892 108.800 0.083 0.000 2.246 4010 G HA2 -0.269 3.692 3.960 0.000 0.000 0.273 4010 G HA3 -0.269 3.692 3.960 0.000 0.000 0.273 4010 G C -0.118 174.847 174.900 0.108 0.000 1.055 4010 G CA 0.083 45.239 45.100 0.094 0.000 0.851 4010 G HN 0.248 nan 8.290 nan 0.000 0.500 4011 L N -0.053 121.209 121.223 0.065 0.000 2.341 4011 L HA 0.845 5.185 4.340 0.000 0.000 0.267 4011 L C 0.764 177.653 176.870 0.031 0.000 1.009 4011 L CA -0.565 54.302 54.840 0.046 0.000 0.819 4011 L CB 2.357 44.441 42.059 0.042 0.000 1.323 4011 L HN 0.348 nan 8.230 nan 0.000 0.425 4012 T N -3.213 111.354 114.554 0.022 0.000 2.932 4012 T HA 0.291 4.642 4.350 0.000 0.000 0.289 4012 T C 0.579 175.288 174.700 0.014 0.000 1.039 4012 T CA -0.861 61.250 62.100 0.018 0.000 1.024 4012 T CB 2.149 71.024 68.868 0.012 0.000 1.090 4012 T HN 0.616 nan 8.240 nan 0.000 0.496 4013 K N 0.568 120.976 120.400 0.014 0.000 2.152 4013 K HA -0.194 4.126 4.320 0.000 0.000 0.206 4013 K C 1.942 178.545 176.600 0.005 0.000 1.048 4013 K CA 1.577 57.871 56.287 0.011 0.000 0.933 4013 K CB -0.243 32.264 32.500 0.011 0.000 0.721 4013 K HN 0.643 nan 8.250 nan 0.000 0.447 4014 N N 1.103 119.806 118.700 0.004 0.000 2.244 4014 N HA -0.138 4.602 4.740 0.000 0.000 0.183 4014 N C 1.000 176.508 175.510 -0.003 0.000 1.016 4014 N CA 1.465 54.515 53.050 -0.000 0.000 0.866 4014 N CB -0.032 38.454 38.487 -0.001 0.000 0.980 4014 N HN 0.165 nan 8.380 nan 0.000 0.430 4015 D N -0.324 120.075 120.400 -0.002 0.000 2.178 4015 D HA -0.101 4.539 4.640 0.000 0.000 0.201 4015 D C 1.443 177.740 176.300 -0.005 0.000 0.980 4015 D CA 0.635 54.631 54.000 -0.007 0.000 0.842 4015 D CB -0.083 40.715 40.800 -0.004 0.000 0.948 4015 D HN 0.263 nan 8.370 nan 0.000 0.472 4016 L N 0.399 121.621 121.223 -0.001 0.000 2.395 4016 L HA 0.013 4.353 4.340 0.000 0.000 0.218 4016 L C 0.702 177.569 176.870 -0.005 0.000 1.130 4016 L CA 0.494 55.332 54.840 -0.002 0.000 0.826 4016 L CB -0.376 41.680 42.059 -0.005 0.000 0.941 4016 L HN -0.068 nan 8.230 nan 0.000 0.451 4017 Q N 0.112 119.909 119.800 -0.005 0.000 2.434 4017 Q HA -0.266 4.074 4.340 0.000 0.000 0.299 4017 Q C 1.283 177.279 176.000 -0.007 0.000 1.286 4017 Q CA 0.970 56.770 55.803 -0.005 0.000 0.872 4017 Q CB -2.134 26.601 28.738 -0.004 0.000 1.193 4017 Q HN 0.675 nan 8.270 nan 0.000 0.466 4018 G N -2.063 106.732 108.800 -0.009 0.000 2.179 4018 G HA2 -0.274 3.686 3.960 0.000 0.000 0.260 4018 G HA3 -0.274 3.686 3.960 0.000 0.000 0.260 4018 G C 0.370 175.258 174.900 -0.020 0.000 0.977 4018 G CA 0.415 45.508 45.100 -0.012 0.000 0.641 4018 G HN 1.274 nan 8.290 nan 0.000 0.533 4019 A N -0.336 122.470 122.820 -0.023 0.000 2.540 4019 A HA 0.535 4.856 4.320 0.000 0.000 0.239 4019 A C 1.067 178.615 177.584 -0.059 0.000 1.061 4019 A CA 1.446 53.460 52.037 -0.038 0.000 0.758 4019 A CB 0.197 19.176 19.000 -0.035 0.000 0.991 4019 A HN 0.591 nan 8.150 nan 0.000 0.502 4020 Q N 0.723 120.477 119.800 -0.077 0.000 2.164 4020 Q HA 0.341 4.681 4.340 0.000 0.000 0.226 4020 Q C -0.565 175.333 176.000 -0.170 0.000 0.813 4020 Q CA 0.012 55.754 55.803 -0.102 0.000 0.978 4020 Q CB 0.765 29.462 28.738 -0.067 0.000 1.149 4020 Q HN 0.728 nan 8.270 nan 0.000 0.489 4021 L N 0.500 121.622 121.223 -0.168 0.000 2.408 4021 L HA 0.832 5.172 4.340 0.000 0.000 0.268 4021 L C -1.856 174.889 176.870 -0.208 0.000 0.986 4021 L CA -0.660 54.052 54.840 -0.214 0.000 0.820 4021 L CB 1.827 43.810 42.059 -0.126 0.000 1.303 4021 L HN -0.078 nan 8.230 nan 0.000 0.411 4022 A N 5.508 128.155 122.820 -0.289 0.000 2.393 4022 A HA 0.728 5.049 4.320 0.000 0.000 0.306 4022 A C -1.112 176.440 177.584 -0.054 0.000 1.050 4022 A CA -0.546 51.395 52.037 -0.160 0.000 0.724 4022 A CB 1.264 20.154 19.000 -0.182 0.000 1.248 4022 A HN 0.658 nan 8.150 nan 0.000 0.424 4023 I N 2.576 123.149 120.570 0.005 0.000 2.315 4023 I HA 0.376 4.546 4.170 0.000 0.000 0.291 4023 I C -0.263 175.897 176.117 0.072 0.000 1.006 4023 I CA -0.736 60.584 61.300 0.034 0.000 1.265 4023 I CB 1.775 39.784 38.000 0.015 0.000 1.387 4023 I HN 0.465 nan 8.210 nan 0.000 0.475 4024 V N 5.775 125.748 119.914 0.100 0.000 2.266 4024 V HA 0.505 4.626 4.120 0.000 0.000 0.271 4024 V C -2.498 173.643 176.094 0.079 0.000 1.032 4024 V CA -1.854 60.515 62.300 0.115 0.000 0.806 4024 V CB 0.393 32.318 31.823 0.170 0.000 1.052 4024 V HN 0.473 nan 8.190 nan 0.000 0.449 4025 P HA 0.334 nan 4.420 nan 0.000 0.278 4025 P C 0.889 178.215 177.300 0.044 0.000 1.266 4025 P CA 0.184 63.307 63.100 0.038 0.000 0.807 4025 P CB 1.989 33.699 31.700 0.016 0.000 1.094 4026 G N -0.251 108.565 108.800 0.026 0.000 2.411 4026 G HA2 -0.067 3.893 3.960 0.000 0.000 0.213 4026 G HA3 -0.067 3.893 3.960 0.000 0.000 0.213 4026 G C 0.303 175.205 174.900 0.004 0.000 1.166 4026 G CA 0.403 45.516 45.100 0.020 0.000 0.802 4026 G HN 0.508 nan 8.290 nan 0.000 0.533 4027 D N 0.837 121.233 120.400 -0.006 0.000 2.325 4027 D HA 0.215 4.855 4.640 0.000 0.000 0.251 4027 D C -1.001 175.292 176.300 -0.011 0.000 1.196 4027 D CA -2.440 51.548 54.000 -0.019 0.000 0.866 4027 D CB 2.035 42.819 40.800 -0.027 0.000 1.101 4027 D HN 0.036 nan 8.370 nan 0.000 0.476 4028 P HA -0.140 nan 4.420 nan 0.000 0.221 4028 P C 0.451 177.754 177.300 0.004 0.000 1.145 4028 P CA 0.957 64.065 63.100 0.013 0.000 0.795 4028 P CB 0.367 32.069 31.700 0.005 0.000 0.775 4029 E N -0.602 119.588 120.200 -0.018 0.000 2.482 4029 E HA -0.045 4.305 4.350 0.000 0.000 0.196 4029 E C 1.633 178.197 176.600 -0.061 0.000 1.047 4029 E CA 0.262 56.644 56.400 -0.030 0.000 0.869 4029 E CB -0.084 29.598 29.700 -0.030 0.000 0.836 4029 E HN 0.137 nan 8.360 nan 0.000 0.520 4030 R N -0.053 120.410 120.500 -0.061 0.000 2.334 4030 R HA 0.105 4.445 4.340 0.000 0.000 0.212 4030 R C 1.943 178.169 176.300 -0.123 0.000 0.897 4030 R CA 0.105 56.155 56.100 -0.083 0.000 1.056 4030 R CB -0.291 29.977 30.300 -0.054 0.000 1.046 4030 R HN 0.058 nan 8.270 nan 0.000 0.513 4031 V N 1.368 121.210 119.914 -0.120 0.000 2.255 4031 V HA -0.252 3.868 4.120 0.000 0.000 0.247 4031 V C 2.433 178.262 176.094 -0.442 0.000 1.051 4031 V CA 2.149 64.351 62.300 -0.163 0.000 1.018 4031 V CB -0.372 31.435 31.823 -0.027 0.000 0.641 4031 V HN 0.356 nan 8.190 nan 0.000 0.445 4032 E N 0.287 120.092 120.200 -0.659 0.000 2.058 4032 E HA -0.284 4.067 4.350 0.000 0.000 0.194 4032 E C 2.281 178.494 176.600 -0.645 0.000 0.997 4032 E CA 1.654 57.385 56.400 -1.116 0.000 0.801 4032 E CB -0.077 29.149 29.700 -0.791 0.000 0.746 4032 E HN 0.599 nan 8.360 nan 0.000 0.450 4033 K N 0.194 120.376 120.400 -0.363 0.000 2.044 4033 K HA -0.182 4.138 4.320 0.000 0.000 0.210 4033 K C 2.269 178.751 176.600 -0.197 0.000 1.049 4033 K CA 1.820 57.970 56.287 -0.228 0.000 0.927 4033 K CB -0.267 32.145 32.500 -0.147 0.000 0.713 4033 K HN 0.249 nan 8.250 nan 0.000 0.443 4034 I N 1.021 121.480 120.570 -0.185 0.000 2.179 4034 I HA -0.270 3.900 4.170 0.000 0.000 0.242 4034 I C 2.551 178.590 176.117 -0.129 0.000 1.088 4034 I CA 1.159 62.384 61.300 -0.125 0.000 1.357 4034 I CB -0.443 37.503 38.000 -0.090 0.000 1.051 4034 I HN 0.166 nan 8.210 nan 0.000 0.409 4035 A N 0.757 123.460 122.820 -0.194 0.000 1.978 4035 A HA -0.175 4.145 4.320 0.000 0.000 0.220 4035 A C 2.485 180.004 177.584 -0.108 0.000 1.170 4035 A CA 1.786 53.747 52.037 -0.126 0.000 0.636 4035 A CB -0.775 18.138 19.000 -0.146 0.000 0.810 4035 A HN 0.459 nan 8.150 nan 0.000 0.448 4036 A N -0.339 122.371 122.820 -0.183 0.000 2.070 4036 A HA 0.041 4.361 4.320 0.000 0.000 0.220 4036 A C 1.884 179.432 177.584 -0.061 0.000 1.159 4036 A CA 1.214 53.181 52.037 -0.117 0.000 0.656 4036 A CB -0.495 18.417 19.000 -0.148 0.000 0.800 4036 A HN 0.497 nan 8.150 nan 0.000 0.453 4037 L N -1.326 119.861 121.223 -0.059 0.000 2.610 4037 L HA 0.105 4.445 4.340 0.000 0.000 0.232 4037 L C 0.885 177.743 176.870 -0.020 0.000 1.149 4037 L CA 0.086 54.905 54.840 -0.036 0.000 0.872 4037 L CB -0.489 41.549 42.059 -0.036 0.000 0.992 4037 L HN 0.438 nan 8.230 nan 0.000 0.447 4038 M N -1.680 117.912 119.600 -0.013 0.000 2.861 4038 M HA 0.340 4.820 4.480 0.000 0.000 0.294 4038 M C -0.647 175.662 176.300 0.015 0.000 1.185 4038 M CA -0.892 54.408 55.300 0.001 0.000 0.809 4038 M CB 1.349 33.953 32.600 0.006 0.000 1.722 4038 M HN -0.181 nan 8.290 nan 0.000 0.496 4039 D N 1.092 121.504 120.400 0.019 0.000 2.329 4039 D HA 0.145 4.785 4.640 0.000 0.000 0.246 4039 D C -0.397 175.929 176.300 0.043 0.000 1.111 4039 D CA -0.011 54.005 54.000 0.026 0.000 0.941 4039 D CB 0.586 41.396 40.800 0.017 0.000 1.169 4039 D HN 0.442 nan 8.370 nan 0.000 0.441 4040 K N -0.225 120.203 120.400 0.046 0.000 3.540 4040 K HA -0.152 4.168 4.320 0.000 0.000 0.274 4040 K C -2.220 174.436 176.600 0.094 0.000 0.890 4040 K CA 0.100 56.421 56.287 0.057 0.000 0.701 4040 K CB -1.418 31.105 32.500 0.037 0.000 1.523 4040 K HN 0.363 nan 8.250 nan 0.000 0.450 4041 P HA 0.101 nan 4.420 nan 0.000 0.271 4041 P C -0.330 177.159 177.300 0.314 0.000 1.220 4041 P CA -0.024 63.242 63.100 0.277 0.000 0.768 4041 P CB 1.215 33.080 31.700 0.277 0.000 0.848 4042 V N 4.014 124.069 119.914 0.236 0.000 2.623 4042 V HA 0.280 4.401 4.120 0.000 0.000 0.304 4042 V C 0.400 176.161 176.094 -0.556 0.000 1.054 4042 V CA -0.917 61.308 62.300 -0.124 0.000 0.882 4042 V CB 2.081 33.850 31.823 -0.090 0.000 1.002 4042 V HN 0.499 nan 8.190 nan 0.000 0.424 4043 K N 3.347 122.955 120.400 -1.321 0.000 2.368 4043 K HA 0.426 4.747 4.320 0.000 0.000 0.282 4043 K C 0.126 176.301 176.600 -0.709 0.000 1.035 4043 K CA -0.217 55.039 56.287 -1.720 0.000 0.973 4043 K CB 0.813 32.353 32.500 -1.600 0.000 0.957 4043 K HN 0.651 nan 8.250 nan 0.000 0.474 4044 L N 2.472 123.405 121.223 -0.484 0.000 2.347 4044 L HA 0.353 4.694 4.340 0.000 0.000 0.196 4044 L C 0.531 177.300 176.870 -0.168 0.000 1.072 4044 L CA 0.132 54.837 54.840 -0.224 0.000 0.817 4044 L CB 0.260 42.258 42.059 -0.101 0.000 1.029 4044 L HN 0.751 nan 8.230 nan 0.000 0.478 4045 A N -1.102 121.631 122.820 -0.145 0.000 2.586 4045 A HA 0.638 4.958 4.320 0.000 0.000 0.290 4045 A C -1.242 176.247 177.584 -0.158 0.000 1.086 4045 A CA -0.271 51.677 52.037 -0.148 0.000 0.665 4045 A CB 1.682 20.659 19.000 -0.039 0.000 1.279 4045 A HN -0.130 nan 8.150 nan 0.000 0.423 4046 S N 0.448 115.927 115.700 -0.367 0.000 2.680 4046 S HA 0.617 5.087 4.470 0.000 0.000 0.262 4046 S C -1.875 172.429 174.600 -0.494 0.000 1.138 4046 S CA -0.468 57.577 58.200 -0.258 0.000 1.072 4046 S CB 0.230 63.349 63.200 -0.135 0.000 1.097 4046 S HN 0.737 nan 8.310 nan 0.000 0.468 4047 H N 3.422 122.550 119.070 0.097 0.000 2.877 4047 H HA 0.559 5.116 4.556 0.000 0.000 0.347 4047 H C 0.594 175.968 175.328 0.078 0.000 1.042 4047 H CA -0.377 55.720 56.048 0.082 0.000 1.276 4047 H CB 1.556 31.374 29.762 0.094 0.000 1.681 4047 H HN 0.783 nan 8.280 nan 0.000 0.521 4048 R N 0.477 121.041 120.500 0.107 0.000 3.815 4048 R HA -0.211 4.129 4.340 0.000 0.000 0.470 4048 R C 0.947 177.136 176.300 -0.184 0.000 0.241 4048 R CA 1.804 57.874 56.100 -0.049 0.000 1.481 4048 R CB -0.736 29.526 30.300 -0.064 0.000 0.988 4048 R HN 0.772 nan 8.270 nan 0.000 0.570 4049 E N 1.928 121.837 120.200 -0.485 0.000 2.445 4049 E HA 0.040 4.390 4.350 0.000 0.000 0.189 4049 E C -0.228 176.102 176.600 -0.449 0.000 1.069 4049 E CA 0.543 56.667 56.400 -0.460 0.000 0.871 4049 E CB 0.041 29.446 29.700 -0.493 0.000 0.991 4049 E HN 0.333 nan 8.360 nan 0.000 0.481 4050 F N 1.413 121.395 119.950 0.053 0.000 2.308 4050 F HA 0.309 4.836 4.527 0.000 0.000 0.370 4050 F C 0.162 175.997 175.800 0.058 0.000 1.100 4050 F CA -0.748 57.290 58.000 0.064 0.000 1.108 4050 F CB 1.611 40.664 39.000 0.088 0.000 1.293 4050 F HN -0.296 nan 8.300 nan 0.000 0.478 4051 T N 2.146 116.830 114.554 0.218 0.000 2.779 4051 T HA 0.474 4.825 4.350 0.000 0.000 0.280 4051 T C -0.415 174.426 174.700 0.235 0.000 0.987 4051 T CA -0.781 61.428 62.100 0.181 0.000 0.966 4051 T CB 1.231 70.196 68.868 0.162 0.000 0.933 4051 T HN 0.544 nan 8.240 nan 0.000 0.442 4052 S N 2.285 118.116 115.700 0.219 0.000 2.526 4052 S HA 0.806 5.276 4.470 0.000 0.000 0.293 4052 S C -1.605 173.146 174.600 0.251 0.000 1.092 4052 S CA -0.977 57.361 58.200 0.230 0.000 0.980 4052 S CB 1.350 64.632 63.200 0.138 0.000 1.048 4052 S HN 0.654 nan 8.310 nan 0.000 0.483 4053 W N 1.004 122.314 121.300 0.016 0.000 2.950 4053 W HA 0.671 5.331 4.660 0.000 0.000 0.340 4053 W C 0.086 176.607 176.519 0.003 0.000 1.139 4053 W CA -0.768 56.580 57.345 0.006 0.000 1.188 4053 W CB 1.957 31.419 29.460 0.003 0.000 1.426 4053 W HN 0.795 nan 8.180 nan 0.000 0.531 4054 R N 1.579 122.201 120.500 0.203 0.000 2.711 4054 R HA 0.907 5.247 4.340 0.000 0.000 0.284 4054 R C -0.751 175.638 176.300 0.149 0.000 0.968 4054 R CA -0.389 55.785 56.100 0.122 0.000 0.924 4054 R CB 1.612 31.939 30.300 0.046 0.000 1.162 4054 R HN 0.634 nan 8.270 nan 0.000 0.465 4055 A N 2.138 125.019 122.820 0.101 0.000 2.524 4055 A HA 0.490 4.810 4.320 0.000 0.000 0.289 4055 A C -1.620 175.992 177.584 0.046 0.000 1.248 4055 A CA -0.699 51.391 52.037 0.088 0.000 0.712 4055 A CB 1.804 20.855 19.000 0.084 0.000 1.312 4055 A HN 0.736 nan 8.150 nan 0.000 0.441 4056 E N -0.381 119.841 120.200 0.035 0.000 2.256 4056 E HA 0.577 4.927 4.350 0.000 0.000 0.268 4056 E C -2.305 174.302 176.600 0.011 0.000 0.877 4056 E CA -0.563 55.848 56.400 0.019 0.000 0.757 4056 E CB 1.747 31.457 29.700 0.018 0.000 1.183 4056 E HN 0.485 nan 8.360 nan 0.000 0.418 4057 L N 4.716 125.940 121.223 0.003 0.000 2.406 4057 L HA 0.363 4.703 4.340 0.000 0.000 0.270 4057 L C -1.211 175.656 176.870 -0.005 0.000 0.982 4057 L CA -0.028 54.810 54.840 -0.002 0.000 0.843 4057 L CB 1.290 43.345 42.059 -0.007 0.000 1.225 4057 L HN 0.680 nan 8.230 nan 0.000 0.412 4058 D N 4.215 124.612 120.400 -0.004 0.000 2.772 4058 D HA -0.177 4.463 4.640 0.000 0.000 0.233 4058 D C 1.117 177.414 176.300 -0.004 0.000 1.143 4058 D CA 1.645 55.642 54.000 -0.005 0.000 0.700 4058 D CB -1.196 39.600 40.800 -0.008 0.000 1.076 4058 D HN 1.195 nan 8.370 nan 0.000 0.430 4059 G N -0.883 107.916 108.800 -0.002 0.000 2.159 4059 G HA2 -0.353 3.607 3.960 0.000 0.000 0.256 4059 G HA3 -0.353 3.607 3.960 0.000 0.000 0.256 4059 G C 0.177 175.075 174.900 -0.003 0.000 0.977 4059 G CA 0.699 45.798 45.100 -0.001 0.000 0.652 4059 G HN 0.516 nan 8.290 nan 0.000 0.531 4060 K N 0.147 120.545 120.400 -0.004 0.000 2.316 4060 K HA 0.747 5.067 4.320 0.000 0.000 0.251 4060 K C 0.296 176.893 176.600 -0.006 0.000 0.934 4060 K CA -0.281 56.002 56.287 -0.007 0.000 0.802 4060 K CB 2.226 34.719 32.500 -0.012 0.000 1.171 4060 K HN 0.520 nan 8.250 nan 0.000 0.426 4061 A N 2.020 124.836 122.820 -0.007 0.000 2.477 4061 A HA 0.399 4.719 4.320 0.000 0.000 0.246 4061 A C -0.275 177.302 177.584 -0.011 0.000 1.078 4061 A CA -0.175 51.860 52.037 -0.003 0.000 0.770 4061 A CB 0.262 19.259 19.000 -0.005 0.000 1.011 4061 A HN 0.409 nan 8.150 nan 0.000 0.494 4062 V N 3.862 123.775 119.914 -0.001 0.000 2.841 4062 V HA 0.373 4.493 4.120 0.000 0.000 0.310 4062 V C -0.605 175.496 176.094 0.011 0.000 1.090 4062 V CA -0.655 61.639 62.300 -0.010 0.000 0.930 4062 V CB 1.903 33.721 31.823 -0.009 0.000 1.014 4062 V HN 0.760 nan 8.190 nan 0.000 0.425 4063 I N 3.752 124.320 120.570 -0.004 0.000 2.460 4063 I HA 0.553 4.723 4.170 0.000 0.000 0.298 4063 I C -0.338 175.806 176.117 0.045 0.000 0.989 4063 I CA -0.597 60.721 61.300 0.029 0.000 1.173 4063 I CB 1.966 39.972 38.000 0.009 0.000 1.338 4063 I HN 0.272 nan 8.210 nan 0.000 0.456 4064 V N 5.159 125.131 119.914 0.096 0.000 2.444 4064 V HA 0.419 4.540 4.120 0.000 0.000 0.294 4064 V C -0.515 175.661 176.094 0.137 0.000 1.022 4064 V CA -0.477 61.879 62.300 0.093 0.000 0.850 4064 V CB 2.058 33.923 31.823 0.070 0.000 0.992 4064 V HN 0.900 nan 8.190 nan 0.000 0.426 4065 C N 5.046 124.422 119.300 0.128 0.000 2.551 4065 C HA 0.706 5.166 4.460 0.000 0.000 0.332 4065 C C 0.533 175.622 174.990 0.165 0.000 1.139 4065 C CA -0.385 58.730 59.018 0.161 0.000 1.328 4065 C CB 1.204 29.036 27.740 0.154 0.000 1.903 4065 C HN 1.043 nan 8.230 nan 0.000 0.459 4066 S N 3.283 119.091 115.700 0.180 0.000 2.585 4066 S HA 0.369 4.839 4.470 0.000 0.000 0.273 4066 S C 0.910 175.661 174.600 0.251 0.000 1.339 4066 S CA 0.440 58.735 58.200 0.157 0.000 1.028 4066 S CB 1.265 64.526 63.200 0.102 0.000 0.906 4066 S HN 1.082 nan 8.310 nan 0.000 0.528 4067 T N -1.687 112.976 114.554 0.181 0.000 2.990 4067 T HA 0.536 4.886 4.350 0.000 0.000 0.250 4067 T C 1.148 175.924 174.700 0.127 0.000 1.041 4067 T CA 0.313 62.555 62.100 0.238 0.000 1.010 4067 T CB -0.806 68.144 68.868 0.136 0.000 1.003 4067 T HN 1.962 nan 8.240 nan 0.000 0.499 4068 G N 1.454 110.254 108.800 0.000 0.000 2.796 4068 G HA2 -0.103 3.857 3.960 0.000 0.000 0.571 4068 G HA3 -0.103 3.857 3.960 0.000 0.000 0.571 4068 G C -0.657 174.222 174.900 -0.034 0.000 1.370 4068 G CA -0.528 44.517 45.100 -0.092 0.000 0.856 4068 G HN 0.615 nan 8.290 nan 0.000 0.538 4069 I N 2.008 122.550 120.570 -0.047 0.000 2.395 4069 I HA 0.539 4.709 4.170 0.000 0.000 0.289 4069 I C 1.085 177.196 176.117 -0.010 0.000 1.023 4069 I CA 0.947 62.233 61.300 -0.023 0.000 1.350 4069 I CB 0.821 38.801 38.000 -0.033 0.000 1.409 4069 I HN 2.034 nan 8.210 nan 0.000 0.507 4070 G N 3.823 112.626 108.800 0.004 0.000 2.675 4070 G HA2 -0.095 3.865 3.960 0.000 0.000 0.686 4070 G HA3 -0.095 3.865 3.960 0.000 0.000 0.686 4070 G C 0.540 175.445 174.900 0.009 0.000 1.215 4070 G CA -0.462 44.642 45.100 0.006 0.000 0.777 4070 G HN 0.944 nan 8.290 nan 0.000 0.638 4071 G N 0.597 109.399 108.800 0.004 0.000 2.440 4071 G HA2 0.048 4.008 3.960 0.000 0.000 0.218 4071 G HA3 0.048 4.008 3.960 0.000 0.000 0.218 4071 G C 0.124 175.029 174.900 0.008 0.000 1.154 4071 G CA 2.106 47.206 45.100 0.001 0.000 0.767 4071 G HN 0.681 nan 8.290 nan 0.000 0.552 4072 P HA -0.110 nan 4.420 nan 0.000 0.213 4072 P C 2.341 179.669 177.300 0.046 0.000 1.170 4072 P CA 1.922 65.026 63.100 0.005 0.000 0.898 4072 P CB -0.129 31.569 31.700 -0.004 0.000 0.787 4073 S N -1.787 113.954 115.700 0.067 0.000 2.382 4073 S HA -0.141 4.330 4.470 0.000 0.000 0.228 4073 S C 1.906 176.639 174.600 0.221 0.000 1.027 4073 S CA 1.976 60.279 58.200 0.171 0.000 0.991 4073 S CB -1.334 61.904 63.200 0.064 0.000 0.823 4073 S HN 0.146 nan 8.310 nan 0.000 0.469 4074 T N 1.693 116.311 114.554 0.107 0.000 2.746 4074 T HA -0.112 4.239 4.350 0.000 0.000 0.267 4074 T C 2.202 176.892 174.700 -0.018 0.000 1.039 4074 T CA 1.691 63.824 62.100 0.056 0.000 1.142 4074 T CB -0.586 68.283 68.868 0.002 0.000 0.866 4074 T HN 0.724 nan 8.240 nan 0.000 0.444 4075 S N 1.315 117.010 115.700 -0.007 0.000 2.399 4075 S HA -0.034 4.436 4.470 0.000 0.000 0.231 4075 S C 2.069 176.657 174.600 -0.022 0.000 1.022 4075 S CA 0.778 58.973 58.200 -0.009 0.000 0.983 4075 S CB -0.747 62.545 63.200 0.153 0.000 0.803 4075 S HN 0.502 nan 8.310 nan 0.000 0.480 4076 I N 2.120 122.666 120.570 -0.041 0.000 2.202 4076 I HA -0.104 4.067 4.170 0.000 0.000 0.242 4076 I C 3.123 179.089 176.117 -0.251 0.000 1.091 4076 I CA 1.099 62.306 61.300 -0.156 0.000 1.368 4076 I CB -0.732 37.101 38.000 -0.280 0.000 1.058 4076 I HN 0.427 nan 8.210 nan 0.000 0.410 4077 A N 0.510 123.157 122.820 -0.289 0.000 1.877 4077 A HA -0.160 4.160 4.320 0.000 0.000 0.216 4077 A C 2.421 179.939 177.584 -0.110 0.000 1.186 4077 A CA 1.839 53.704 52.037 -0.286 0.000 0.620 4077 A CB -0.995 17.949 19.000 -0.092 0.000 0.822 4077 A HN 0.240 nan 8.150 nan 0.000 0.443 4078 V N 0.162 119.979 119.914 -0.161 0.000 2.295 4078 V HA -0.251 3.869 4.120 0.000 0.000 0.246 4078 V C 2.633 178.623 176.094 -0.173 0.000 1.049 4078 V CA 2.486 64.581 62.300 -0.341 0.000 1.024 4078 V CB -0.775 30.653 31.823 -0.658 0.000 0.648 4078 V HN 0.773 nan 8.190 nan 0.000 0.447 4079 E N 0.950 121.080 120.200 -0.117 0.000 2.038 4079 E HA -0.253 4.097 4.350 0.000 0.000 0.195 4079 E C 2.079 178.699 176.600 0.033 0.000 1.000 4079 E CA 2.048 58.438 56.400 -0.017 0.000 0.803 4079 E CB -0.339 29.383 29.700 0.038 0.000 0.750 4079 E HN 0.673 nan 8.360 nan 0.000 0.448 4080 E N -0.158 120.049 120.200 0.011 0.000 2.150 4080 E HA -0.107 4.243 4.350 0.000 0.000 0.193 4080 E C 2.227 178.863 176.600 0.060 0.000 0.985 4080 E CA 0.902 57.321 56.400 0.032 0.000 0.814 4080 E CB -0.101 29.597 29.700 -0.004 0.000 0.752 4080 E HN 0.321 nan 8.360 nan 0.000 0.466 4081 L N 0.417 121.699 121.223 0.099 0.000 2.093 4081 L HA -0.123 4.217 4.340 0.000 0.000 0.208 4081 L C 2.542 179.524 176.870 0.186 0.000 1.085 4081 L CA 0.774 55.709 54.840 0.158 0.000 0.755 4081 L CB -0.368 41.868 42.059 0.295 0.000 0.904 4081 L HN 0.147 nan 8.230 nan 0.000 0.435 4082 A N -0.455 122.524 122.820 0.265 0.000 1.902 4082 A HA -0.250 4.071 4.320 0.000 0.000 0.217 4082 A C 2.183 179.836 177.584 0.114 0.000 1.181 4082 A CA 1.426 53.601 52.037 0.230 0.000 0.623 4082 A CB -0.460 18.661 19.000 0.202 0.000 0.818 4082 A HN 0.443 nan 8.150 nan 0.000 0.443 4083 Q N -0.611 119.243 119.800 0.090 0.000 2.181 4083 Q HA -0.081 4.259 4.340 0.000 0.000 0.205 4083 Q C 1.615 177.646 176.000 0.051 0.000 0.980 4083 Q CA 1.235 57.075 55.803 0.063 0.000 0.862 4083 Q CB -0.280 28.494 28.738 0.059 0.000 0.905 4083 Q HN 0.677 nan 8.270 nan 0.000 0.429 4084 L N -1.363 119.891 121.223 0.052 0.000 2.599 4084 L HA 0.114 4.454 4.340 0.000 0.000 0.230 4084 L C 1.184 178.066 176.870 0.020 0.000 1.141 4084 L CA 0.525 55.385 54.840 0.033 0.000 0.877 4084 L CB 0.206 42.284 42.059 0.031 0.000 1.009 4084 L HN 0.437 nan 8.230 nan 0.000 0.447 4085 G N -0.440 108.374 108.800 0.025 0.000 2.229 4085 G HA2 -0.184 3.776 3.960 0.000 0.000 0.189 4085 G HA3 -0.184 3.776 3.960 0.000 0.000 0.189 4085 G C 0.251 175.135 174.900 -0.028 0.000 1.000 4085 G CA -0.683 44.419 45.100 0.004 0.000 0.663 4085 G HN 0.051 nan 8.290 nan 0.000 0.493 4086 I N 1.416 121.954 120.570 -0.054 0.000 2.618 4086 I HA 0.297 4.468 4.170 0.000 0.000 0.284 4086 I C 1.308 177.322 176.117 -0.171 0.000 1.146 4086 I CA 0.317 61.488 61.300 -0.215 0.000 1.425 4086 I CB 0.978 38.717 38.000 -0.434 0.000 1.383 4086 I HN 0.105 nan 8.210 nan 0.000 0.562 4087 R N 3.047 123.426 120.500 -0.202 0.000 2.487 4087 R HA 0.204 4.544 4.340 0.000 0.000 0.272 4087 R C -0.236 176.032 176.300 -0.054 0.000 0.928 4087 R CA 0.187 56.259 56.100 -0.045 0.000 1.077 4087 R CB 0.597 30.890 30.300 -0.012 0.000 1.265 4087 R HN 0.537 nan 8.270 nan 0.000 0.537 4088 T N 1.208 115.598 114.554 -0.273 0.000 2.879 4088 T HA 0.583 4.933 4.350 0.000 0.000 0.290 4088 T C -1.084 173.385 174.700 -0.384 0.000 0.993 4088 T CA -0.314 61.693 62.100 -0.156 0.000 0.975 4088 T CB 1.316 70.127 68.868 -0.095 0.000 0.981 4088 T HN -0.176 nan 8.240 nan 0.000 0.439 4089 F N 2.428 122.372 119.950 -0.011 0.000 2.507 4089 F HA 0.611 5.138 4.527 0.000 0.000 0.325 4089 F C -0.286 175.508 175.800 -0.011 0.000 1.116 4089 F CA -1.170 56.823 58.000 -0.011 0.000 0.930 4089 F CB 1.464 40.453 39.000 -0.019 0.000 1.146 4089 F HN 0.222 nan 8.300 nan 0.000 0.447 4090 L N 4.057 125.362 121.223 0.136 0.000 2.345 4090 L HA 0.507 4.847 4.340 0.000 0.000 0.274 4090 L C -0.122 176.795 176.870 0.079 0.000 0.999 4090 L CA -0.651 54.236 54.840 0.079 0.000 0.849 4090 L CB 1.718 43.794 42.059 0.029 0.000 1.220 4090 L HN 0.610 nan 8.230 nan 0.000 0.422 4091 R N 4.133 124.675 120.500 0.070 0.000 2.357 4091 R HA 0.492 4.832 4.340 0.000 0.000 0.296 4091 R C -0.947 175.373 176.300 0.034 0.000 1.052 4091 R CA -0.408 55.725 56.100 0.054 0.000 0.988 4091 R CB 1.255 31.580 30.300 0.041 0.000 1.025 4091 R HN 0.500 nan 8.270 nan 0.000 0.469 4092 I N 4.396 124.984 120.570 0.029 0.000 2.447 4092 I HA 0.563 4.734 4.170 0.000 0.000 0.287 4092 I C -0.812 175.315 176.117 0.017 0.000 1.023 4092 I CA -0.055 61.256 61.300 0.019 0.000 1.083 4092 I CB 1.208 39.216 38.000 0.012 0.000 1.245 4092 I HN 0.895 nan 8.210 nan 0.000 0.434 4093 G N 5.061 113.870 108.800 0.015 0.000 3.021 4093 G HA2 0.688 4.648 3.960 0.000 0.000 0.290 4093 G HA3 0.688 4.648 3.960 0.000 0.000 0.290 4093 G C -0.994 173.915 174.900 0.015 0.000 1.291 4093 G CA -0.270 44.839 45.100 0.015 0.000 0.834 4093 G HN 0.604 nan 8.290 nan 0.000 0.564 4094 T N -2.853 111.712 114.554 0.018 0.000 2.940 4094 T HA 0.756 5.106 4.350 0.000 0.000 0.288 4094 T C -0.408 174.310 174.700 0.030 0.000 1.033 4094 T CA -0.558 61.554 62.100 0.021 0.000 1.033 4094 T CB 2.053 70.934 68.868 0.021 0.000 1.079 4094 T HN 0.967 nan 8.240 nan 0.000 0.496 4095 T N -0.623 113.948 114.554 0.029 0.000 2.802 4095 T HA 0.648 4.998 4.350 0.000 0.000 0.311 4095 T C -0.854 173.861 174.700 0.026 0.000 1.405 4095 T CA -0.407 61.712 62.100 0.030 0.000 1.016 4095 T CB 1.344 70.224 68.868 0.020 0.000 1.352 4095 T HN 1.190 nan 8.240 nan 0.000 0.498 4096 G N 1.411 110.230 108.800 0.031 0.000 2.422 4096 G HA2 0.664 4.624 3.960 0.000 0.000 0.317 4096 G HA3 0.664 4.624 3.960 0.000 0.000 0.317 4096 G C -0.062 174.851 174.900 0.021 0.000 1.210 4096 G CA -0.164 44.952 45.100 0.027 0.000 0.930 4096 G HN 0.969 nan 8.290 nan 0.000 0.468 4097 A N 2.234 125.047 122.820 -0.012 0.000 2.371 4097 A HA 0.566 4.887 4.320 0.000 0.000 0.257 4097 A C 1.071 178.631 177.584 -0.040 0.000 1.089 4097 A CA -0.456 51.549 52.037 -0.054 0.000 0.794 4097 A CB 0.275 19.220 19.000 -0.092 0.000 1.029 4097 A HN 1.284 nan 8.150 nan 0.000 0.488 4098 I N -2.186 118.341 120.570 -0.072 0.000 4.081 4098 I HA 0.260 4.430 4.170 0.000 0.000 0.333 4098 I C -0.266 175.836 176.117 -0.024 0.000 1.413 4098 I CA -0.294 60.984 61.300 -0.037 0.000 1.110 4098 I CB 0.230 38.181 38.000 -0.082 0.000 1.082 4098 I HN 0.317 nan 8.210 nan 0.000 0.402 4099 Q N 2.908 122.675 119.800 -0.056 0.000 2.293 4099 Q HA 0.388 4.728 4.340 0.000 0.000 0.261 4099 Q C -1.794 174.192 176.000 -0.023 0.000 0.960 4099 Q CA -2.123 53.678 55.803 -0.002 0.000 0.882 4099 Q CB 2.062 30.809 28.738 0.016 0.000 1.275 4099 Q HN 0.042 nan 8.270 nan 0.000 0.445 4100 P HA -0.204 nan 4.420 nan 0.000 0.218 4100 P C 0.917 178.241 177.300 0.039 0.000 1.148 4100 P CA 1.604 64.730 63.100 0.042 0.000 0.822 4100 P CB 0.095 31.831 31.700 0.060 0.000 0.784 4101 H N -0.455 118.585 119.070 -0.051 0.000 2.524 4101 H HA 0.114 4.670 4.556 0.000 0.000 0.282 4101 H C 0.821 176.108 175.328 -0.068 0.000 1.016 4101 H CA -0.029 55.992 56.048 -0.045 0.000 1.270 4101 H CB -1.062 28.674 29.762 -0.044 0.000 1.394 4101 H HN 0.136 nan 8.280 nan 0.000 0.568 4102 I N 3.627 123.772 120.570 -0.709 0.000 2.396 4102 I HA 0.001 4.171 4.170 0.000 0.000 0.289 4102 I C -0.102 175.909 176.117 -0.177 0.000 1.056 4102 I CA -0.222 60.744 61.300 -0.557 0.000 1.365 4102 I CB 0.461 38.086 38.000 -0.625 0.000 1.407 4102 I HN 0.131 nan 8.210 nan 0.000 0.509 4103 N N 5.557 124.232 118.700 -0.040 0.000 2.489 4103 N HA 0.300 5.040 4.740 0.000 0.000 0.284 4103 N C -0.449 175.063 175.510 0.003 0.000 1.158 4103 N CA -0.612 52.435 53.050 -0.005 0.000 0.965 4103 N CB 1.792 40.295 38.487 0.026 0.000 1.195 4103 N HN 0.179 nan 8.380 nan 0.000 0.506 4104 V N 0.752 120.665 119.914 -0.002 0.000 2.585 4104 V HA 0.283 4.403 4.120 0.000 0.000 0.296 4104 V C 1.459 177.551 176.094 -0.004 0.000 1.035 4104 V CA 1.415 63.713 62.300 -0.003 0.000 1.084 4104 V CB 0.197 32.017 31.823 -0.005 0.000 0.953 4104 V HN 1.071 nan 8.190 nan 0.000 0.483 4105 G N 3.951 112.747 108.800 -0.007 0.000 2.259 4105 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 4105 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 4105 G C -0.019 174.891 174.900 0.015 0.000 1.001 4105 G CA -0.047 45.037 45.100 -0.026 0.000 0.627 4105 G HN 0.654 nan 8.290 nan 0.000 0.501 4106 D N 0.335 120.762 120.400 0.045 0.000 2.368 4106 D HA 0.473 5.113 4.640 0.000 0.000 0.240 4106 D C 0.517 176.863 176.300 0.075 0.000 1.169 4106 D CA 0.186 54.232 54.000 0.078 0.000 0.906 4106 D CB 1.576 42.464 40.800 0.147 0.000 1.187 4106 D HN 0.251 nan 8.370 nan 0.000 0.435 4107 V N 1.826 121.777 119.914 0.061 0.000 2.459 4107 V HA 0.362 4.482 4.120 0.000 0.000 0.295 4107 V C -0.027 176.096 176.094 0.049 0.000 1.029 4107 V CA -0.732 61.597 62.300 0.049 0.000 0.874 4107 V CB 1.323 33.166 31.823 0.033 0.000 0.985 4107 V HN 0.266 nan 8.190 nan 0.000 0.438 4108 L N 5.208 126.462 121.223 0.051 0.000 2.333 4108 L HA 0.639 4.979 4.340 0.000 0.000 0.280 4108 L C -0.705 176.183 176.870 0.030 0.000 1.004 4108 L CA -0.799 54.076 54.840 0.059 0.000 0.820 4108 L CB 1.969 44.058 42.059 0.050 0.000 1.247 4108 L HN 0.321 nan 8.230 nan 0.000 0.416 4109 V N 1.862 121.792 119.914 0.027 0.000 2.398 4109 V HA 0.321 4.441 4.120 0.000 0.000 0.286 4109 V C 0.262 176.363 176.094 0.012 0.000 1.026 4109 V CA -0.362 61.943 62.300 0.009 0.000 0.868 4109 V CB 1.784 33.603 31.823 -0.006 0.000 0.982 4109 V HN 0.743 nan 8.190 nan 0.000 0.443 4110 T N 3.330 117.887 114.554 0.005 0.000 2.771 4110 T HA 0.237 4.587 4.350 0.000 0.000 0.291 4110 T C 1.252 175.956 174.700 0.007 0.000 0.954 4110 T CA 0.111 62.213 62.100 0.003 0.000 1.045 4110 T CB 1.290 70.155 68.868 -0.005 0.000 0.917 4110 T HN 0.945 nan 8.240 nan 0.000 0.484 4111 T N 0.269 114.830 114.554 0.012 0.000 3.009 4111 T HA 0.532 4.883 4.350 0.000 0.000 0.258 4111 T C 0.677 175.389 174.700 0.020 0.000 1.063 4111 T CA 0.210 62.324 62.100 0.024 0.000 1.139 4111 T CB 0.211 69.099 68.868 0.034 0.000 0.890 4111 T HN 0.785 nan 8.240 nan 0.000 0.471 4112 A N 0.027 122.849 122.820 0.004 0.000 2.597 4112 A HA 0.674 4.994 4.320 0.000 0.000 0.292 4112 A C -1.061 176.507 177.584 -0.025 0.000 1.057 4112 A CA -0.841 51.195 52.037 -0.003 0.000 0.674 4112 A CB 1.155 20.152 19.000 -0.005 0.000 1.278 4112 A HN 0.200 nan 8.150 nan 0.000 0.416 4113 S N -0.449 115.234 115.700 -0.029 0.000 2.566 4113 S HA 0.637 5.107 4.470 0.000 0.000 0.298 4113 S C -0.438 174.109 174.600 -0.088 0.000 1.083 4113 S CA -0.577 57.585 58.200 -0.064 0.000 0.978 4113 S CB 1.755 64.927 63.200 -0.048 0.000 1.073 4113 S HN 0.920 nan 8.310 nan 0.000 0.491 4114 V N 2.852 122.660 119.914 -0.176 0.000 2.508 4114 V HA 0.218 4.338 4.120 0.000 0.000 0.281 4114 V C 0.509 176.519 176.094 -0.140 0.000 1.041 4114 V CA -0.158 62.000 62.300 -0.236 0.000 1.016 4114 V CB 0.196 31.667 31.823 -0.586 0.000 0.984 4114 V HN 0.697 nan 8.190 nan 0.000 0.478 4115 R N 5.381 125.852 120.500 -0.048 0.000 2.893 4115 R HA 0.298 4.639 4.340 0.000 0.000 0.243 4115 R C 0.041 176.377 176.300 0.060 0.000 1.481 4115 R CA -0.096 56.015 56.100 0.018 0.000 1.250 4115 R CB -0.035 30.301 30.300 0.060 0.000 1.213 4115 R HN 0.659 nan 8.270 nan 0.000 0.609 4116 L N 2.070 123.331 121.223 0.064 0.000 2.783 4116 L HA 0.124 4.464 4.340 0.000 0.000 0.236 4116 L C 0.292 177.248 176.870 0.144 0.000 1.225 4116 L CA -0.252 54.692 54.840 0.174 0.000 1.026 4116 L CB -0.691 41.509 42.059 0.234 0.000 1.314 4116 L HN 0.514 nan 8.230 nan 0.000 0.489 4117 D N -1.314 119.145 120.400 0.098 0.000 2.621 4117 D HA 0.336 4.976 4.640 0.000 0.000 0.255 4117 D C 0.746 177.095 176.300 0.082 0.000 1.122 4117 D CA -0.332 53.712 54.000 0.074 0.000 1.096 4117 D CB 1.815 42.641 40.800 0.043 0.000 1.282 4117 D HN -0.079 nan 8.370 nan 0.000 0.619 4118 G N -1.351 107.479 108.800 0.051 0.000 2.739 4118 G HA2 0.258 4.218 3.960 0.000 0.000 0.200 4118 G HA3 0.258 4.218 3.960 0.000 0.000 0.200 4118 G C 1.271 176.160 174.900 -0.018 0.000 1.069 4118 G CA 0.592 45.724 45.100 0.052 0.000 0.768 4118 G HN 0.614 nan 8.290 nan 0.000 0.565 4119 A N 1.862 124.627 122.820 -0.092 0.000 1.933 4119 A HA -0.029 4.291 4.320 0.000 0.000 0.218 4119 A C 2.685 180.337 177.584 0.113 0.000 1.175 4119 A CA 2.512 54.452 52.037 -0.162 0.000 0.628 4119 A CB -0.731 18.240 19.000 -0.048 0.000 0.814 4119 A HN 0.772 nan 8.150 nan 0.000 0.444 4120 S N 0.285 116.076 115.700 0.152 0.000 2.383 4120 S HA -0.140 4.330 4.470 0.000 0.000 0.229 4120 S C 1.737 176.485 174.600 0.246 0.000 1.030 4120 S CA 1.540 59.875 58.200 0.224 0.000 1.002 4120 S CB -0.804 62.474 63.200 0.131 0.000 0.829 4120 S HN 0.458 nan 8.310 nan 0.000 0.467 4121 L N 0.772 122.116 121.223 0.202 0.000 2.362 4121 L HA -0.021 4.319 4.340 0.000 0.000 0.219 4121 L C 2.273 179.247 176.870 0.174 0.000 1.134 4121 L CA 1.105 56.056 54.840 0.185 0.000 0.807 4121 L CB -0.695 41.474 42.059 0.183 0.000 0.927 4121 L HN 0.517 nan 8.230 nan 0.000 0.447 4122 H N -1.908 117.108 119.070 -0.090 0.000 2.547 4122 H HA 0.029 4.585 4.556 0.000 0.000 0.266 4122 H C 1.212 176.168 175.328 -0.619 0.000 0.988 4122 H CA 0.424 56.264 56.048 -0.345 0.000 1.147 4122 H CB 0.431 29.923 29.762 -0.449 0.000 1.365 4122 H HN 0.346 nan 8.280 nan 0.000 0.589 4123 F N -0.321 119.651 119.950 0.036 0.000 2.699 4123 F HA 0.429 4.957 4.527 0.001 0.000 0.295 4123 F C 0.824 176.534 175.800 -0.150 0.000 1.052 4123 F CA -0.042 57.918 58.000 -0.066 0.000 1.239 4123 F CB 1.059 40.000 39.000 -0.098 0.000 1.018 4123 F HN -0.039 nan 8.300 nan 0.000 0.627 4124 A N 0.487 123.326 122.820 0.032 0.000 2.589 4124 A HA 0.616 4.937 4.320 0.000 0.000 0.296 4124 A C -2.778 174.831 177.584 0.042 0.000 1.062 4124 A CA -1.425 50.566 52.037 -0.078 0.000 0.686 4124 A CB 0.673 19.430 19.000 -0.406 0.000 1.282 4124 A HN -0.171 nan 8.150 nan 0.000 0.404 4125 P HA 0.087 nan 4.420 nan 0.000 0.271 4125 P C 0.824 178.208 177.300 0.139 0.000 1.233 4125 P CA -0.188 62.966 63.100 0.091 0.000 0.789 4125 P CB 0.443 32.192 31.700 0.083 0.000 0.951 4126 M N 1.215 120.884 119.600 0.116 0.000 2.267 4126 M HA -0.184 4.296 4.480 0.000 0.000 0.263 4126 M C 1.437 177.816 176.300 0.131 0.000 1.063 4126 M CA 1.924 57.297 55.300 0.121 0.000 1.090 4126 M CB -1.288 31.369 32.600 0.094 0.000 1.392 4126 M HN 0.293 nan 8.290 nan 0.000 0.422 4127 E N -0.859 119.416 120.200 0.125 0.000 2.204 4127 E HA -0.084 4.266 4.350 0.000 0.000 0.195 4127 E C 0.343 177.013 176.600 0.118 0.000 0.990 4127 E CA 0.485 56.946 56.400 0.103 0.000 0.821 4127 E CB -0.567 29.184 29.700 0.085 0.000 0.750 4127 E HN 0.488 nan 8.360 nan 0.000 0.477 4128 F N 2.821 122.794 119.950 0.037 0.000 2.484 4128 F HA 0.160 4.687 4.527 0.000 0.000 0.360 4128 F C -1.986 173.833 175.800 0.032 0.000 1.101 4128 F CA -2.801 55.221 58.000 0.036 0.000 1.251 4128 F CB 0.571 39.598 39.000 0.046 0.000 1.132 4128 F HN -0.127 nan 8.300 nan 0.000 0.570 4129 P HA 0.180 nan 4.420 nan 0.000 0.281 4129 P C -1.344 176.013 177.300 0.095 0.000 1.252 4129 P CA -0.446 62.588 63.100 -0.111 0.000 0.778 4129 P CB 1.344 32.906 31.700 -0.229 0.000 0.895 4130 A N 4.074 126.963 122.820 0.115 0.000 3.063 4130 A HA 0.259 4.579 4.320 0.000 0.000 0.263 4130 A C 0.282 177.905 177.584 0.065 0.000 1.736 4130 A CA -0.366 51.745 52.037 0.123 0.000 1.408 4130 A CB -0.934 18.109 19.000 0.072 0.000 1.108 4130 A HN 0.471 nan 8.150 nan 0.000 0.621 4131 V N 1.720 121.675 119.914 0.070 0.000 2.539 4131 V HA 0.680 4.801 4.120 0.000 0.000 0.292 4131 V C 0.685 176.816 176.094 0.062 0.000 1.045 4131 V CA -0.176 62.148 62.300 0.041 0.000 0.945 4131 V CB 1.316 33.140 31.823 0.002 0.000 0.993 4131 V HN 0.890 nan 8.190 nan 0.000 0.464 4132 A N 4.308 127.158 122.820 0.051 0.000 2.332 4132 A HA 0.386 4.706 4.320 0.000 0.000 0.258 4132 A C 0.068 177.699 177.584 0.079 0.000 1.087 4132 A CA -0.170 51.899 52.037 0.054 0.000 0.802 4132 A CB 0.158 19.179 19.000 0.035 0.000 1.042 4132 A HN 1.036 nan 8.150 nan 0.000 0.489 4133 D N -0.299 120.147 120.400 0.077 0.000 2.382 4133 D HA 0.142 4.782 4.640 0.000 0.000 0.245 4133 D C 0.630 176.997 176.300 0.111 0.000 1.120 4133 D CA -0.119 53.942 54.000 0.101 0.000 0.890 4133 D CB 0.193 41.042 40.800 0.083 0.000 1.201 4133 D HN 0.364 nan 8.370 nan 0.000 0.433 4134 F N 3.793 123.753 119.950 0.017 0.000 2.134 4134 F HA -0.067 4.460 4.527 0.000 0.000 0.299 4134 F C 2.024 177.830 175.800 0.010 0.000 1.097 4134 F CA 1.689 59.696 58.000 0.011 0.000 1.264 4134 F CB -0.384 38.620 39.000 0.007 0.000 1.001 4134 F HN 0.499 nan 8.300 nan 0.000 0.479 4135 A N -0.782 122.014 122.820 -0.040 0.000 1.930 4135 A HA -0.171 4.149 4.320 0.000 0.000 0.217 4135 A C 2.351 179.846 177.584 -0.148 0.000 1.175 4135 A CA 1.638 53.599 52.037 -0.126 0.000 0.627 4135 A CB -1.612 17.393 19.000 0.008 0.000 0.815 4135 A HN 0.542 nan 8.150 nan 0.000 0.443 4136 C N -1.076 118.177 119.300 -0.078 0.000 2.432 4136 C HA -0.073 4.387 4.460 0.000 0.000 0.277 4136 C C 3.034 177.964 174.990 -0.100 0.000 1.249 4136 C CA 1.531 60.512 59.018 -0.061 0.000 1.725 4136 C CB -1.482 26.252 27.740 -0.009 0.000 2.028 4136 C HN 0.638 nan 8.230 nan 0.000 0.477 4137 T N 0.543 115.020 114.554 -0.128 0.000 2.746 4137 T HA -0.165 4.185 4.350 0.000 0.000 0.267 4137 T C 1.797 176.373 174.700 -0.207 0.000 1.039 4137 T CA 2.157 64.174 62.100 -0.138 0.000 1.142 4137 T CB -0.513 68.286 68.868 -0.115 0.000 0.866 4137 T HN 0.590 nan 8.240 nan 0.000 0.444 4138 T N 1.944 116.280 114.554 -0.362 0.000 2.708 4138 T HA -0.019 4.332 4.350 0.000 0.000 0.266 4138 T C 2.415 177.000 174.700 -0.192 0.000 1.037 4138 T CA 1.169 63.058 62.100 -0.351 0.000 1.146 4138 T CB -0.556 67.995 68.868 -0.529 0.000 0.865 4138 T HN 0.436 nan 8.240 nan 0.000 0.435 4139 A N 1.049 123.774 122.820 -0.159 0.000 1.933 4139 A HA 0.001 4.321 4.320 0.000 0.000 0.218 4139 A C 2.293 179.829 177.584 -0.081 0.000 1.175 4139 A CA 1.215 53.192 52.037 -0.099 0.000 0.628 4139 A CB -0.805 18.148 19.000 -0.077 0.000 0.814 4139 A HN 0.476 nan 8.150 nan 0.000 0.444 4140 L N -0.838 120.336 121.223 -0.080 0.000 2.056 4140 L HA -0.135 4.206 4.340 0.000 0.000 0.207 4140 L C 2.534 179.366 176.870 -0.063 0.000 1.078 4140 L CA 0.963 55.767 54.840 -0.060 0.000 0.749 4140 L CB -0.496 41.534 42.059 -0.048 0.000 0.901 4140 L HN 0.241 nan 8.230 nan 0.000 0.433 4141 V N -0.477 119.392 119.914 -0.076 0.000 2.343 4141 V HA -0.225 3.895 4.120 0.000 0.000 0.247 4141 V C 2.545 178.599 176.094 -0.067 0.000 1.051 4141 V CA 1.544 63.803 62.300 -0.068 0.000 1.036 4141 V CB -0.419 31.361 31.823 -0.072 0.000 0.654 4141 V HN 0.411 nan 8.190 nan 0.000 0.451 4142 E N 0.356 120.513 120.200 -0.072 0.000 2.072 4142 E HA -0.153 4.197 4.350 0.000 0.000 0.191 4142 E C 2.360 178.925 176.600 -0.059 0.000 0.985 4142 E CA 1.483 57.846 56.400 -0.062 0.000 0.801 4142 E CB -0.559 29.103 29.700 -0.062 0.000 0.750 4142 E HN 0.562 nan 8.360 nan 0.000 0.452 4143 A N 1.397 124.181 122.820 -0.059 0.000 1.972 4143 A HA -0.079 4.242 4.320 0.000 0.000 0.219 4143 A C 2.397 179.941 177.584 -0.066 0.000 1.169 4143 A CA 1.904 53.907 52.037 -0.056 0.000 0.635 4143 A CB -0.479 18.491 19.000 -0.049 0.000 0.810 4143 A HN 0.257 nan 8.150 nan 0.000 0.446 4144 A N -0.081 122.698 122.820 -0.069 0.000 1.933 4144 A HA -0.149 4.171 4.320 0.000 0.000 0.218 4144 A C 2.100 179.626 177.584 -0.096 0.000 1.175 4144 A CA 1.767 53.753 52.037 -0.084 0.000 0.628 4144 A CB -0.375 18.580 19.000 -0.074 0.000 0.814 4144 A HN 0.561 nan 8.150 nan 0.000 0.444 4145 K N -0.497 119.857 120.400 -0.077 0.000 2.025 4145 K HA -0.104 4.216 4.320 0.000 0.000 0.207 4145 K C 2.472 179.027 176.600 -0.074 0.000 1.049 4145 K CA 1.371 57.615 56.287 -0.072 0.000 0.933 4145 K CB -0.296 32.171 32.500 -0.055 0.000 0.714 4145 K HN 0.431 nan 8.250 nan 0.000 0.438 4146 S N 0.917 116.577 115.700 -0.067 0.000 2.359 4146 S HA -0.135 4.336 4.470 0.000 0.000 0.224 4146 S C 1.922 176.475 174.600 -0.077 0.000 1.035 4146 S CA 1.074 59.237 58.200 -0.062 0.000 1.018 4146 S CB -0.114 63.055 63.200 -0.052 0.000 0.876 4146 S HN 0.130 nan 8.310 nan 0.000 0.448 4147 I N 1.062 121.572 120.570 -0.100 0.000 2.500 4147 I HA 0.151 4.321 4.170 0.000 0.000 0.252 4147 I C 1.490 177.484 176.117 -0.204 0.000 1.142 4147 I CA 1.295 62.513 61.300 -0.136 0.000 1.451 4147 I CB -1.919 35.992 38.000 -0.147 0.000 1.093 4147 I HN 0.556 nan 8.210 nan 0.000 0.430 4148 G N 1.701 110.379 108.800 -0.204 0.000 3.405 4148 G HA2 0.204 4.164 3.960 0.000 0.000 0.676 4148 G HA3 0.204 4.164 3.960 0.000 0.000 0.676 4148 G C -0.342 174.338 174.900 -0.366 0.000 1.039 4148 G CA -0.145 44.827 45.100 -0.214 0.000 0.855 4148 G HN 0.844 nan 8.290 nan 0.000 0.443 4149 A N 1.770 124.451 122.820 -0.232 0.000 2.590 4149 A HA 0.874 5.194 4.320 0.000 0.000 0.296 4149 A C 0.021 177.559 177.584 -0.077 0.000 1.050 4149 A CA 0.158 52.099 52.037 -0.159 0.000 0.697 4149 A CB 0.836 19.726 19.000 -0.183 0.000 1.277 4149 A HN 1.675 nan 8.150 nan 0.000 0.411 4150 T N 2.987 117.524 114.554 -0.030 0.000 2.761 4150 T HA 0.441 4.791 4.350 0.000 0.000 0.287 4150 T C 0.201 174.773 174.700 -0.214 0.000 0.931 4150 T CA 0.856 62.889 62.100 -0.112 0.000 1.164 4150 T CB -0.342 68.492 68.868 -0.056 0.000 0.876 4150 T HN 0.615 nan 8.240 nan 0.000 0.534 4151 T N 4.740 119.119 114.554 -0.291 0.000 2.855 4151 T HA 0.398 4.748 4.350 0.000 0.000 0.281 4151 T C -0.455 173.980 174.700 -0.442 0.000 1.007 4151 T CA -0.780 61.154 62.100 -0.277 0.000 1.009 4151 T CB 0.851 69.639 68.868 -0.134 0.000 0.983 4151 T HN 0.514 nan 8.240 nan 0.000 0.455 4152 H N 1.016 120.091 119.070 0.008 0.000 2.589 4152 H HA 0.504 5.061 4.556 0.000 0.000 0.351 4152 H C -1.004 174.332 175.328 0.012 0.000 1.074 4152 H CA -0.508 55.553 56.048 0.022 0.000 1.203 4152 H CB 1.740 31.510 29.762 0.013 0.000 1.558 4152 H HN 0.276 nan 8.280 nan 0.000 0.522 4153 V N 2.615 122.604 119.914 0.125 0.000 2.384 4153 V HA 0.725 4.845 4.120 0.000 0.000 0.287 4153 V C 0.593 176.730 176.094 0.071 0.000 1.020 4153 V CA -0.215 62.127 62.300 0.070 0.000 0.850 4153 V CB 1.298 33.146 31.823 0.041 0.000 0.987 4153 V HN 1.057 nan 8.190 nan 0.000 0.436 4154 G N 3.178 112.007 108.800 0.048 0.000 2.364 4154 G HA2 0.447 4.408 3.960 0.000 0.000 0.286 4154 G HA3 0.447 4.408 3.960 0.000 0.000 0.286 4154 G C -1.404 173.500 174.900 0.007 0.000 1.241 4154 G CA -0.482 44.637 45.100 0.033 0.000 0.887 4154 G HN 0.459 nan 8.290 nan 0.000 0.484 4155 V N 0.717 120.625 119.914 -0.009 0.000 2.607 4155 V HA 0.620 4.740 4.120 0.000 0.000 0.289 4155 V C 0.305 176.353 176.094 -0.077 0.000 1.053 4155 V CA 0.005 62.281 62.300 -0.041 0.000 0.996 4155 V CB 1.320 33.116 31.823 -0.045 0.000 0.995 4155 V HN 0.760 nan 8.190 nan 0.000 0.476 4156 T N 3.353 117.847 114.554 -0.099 0.000 2.863 4156 T HA 0.658 5.008 4.350 0.000 0.000 0.285 4156 T C -0.163 174.417 174.700 -0.200 0.000 1.009 4156 T CA -0.312 61.710 62.100 -0.131 0.000 0.989 4156 T CB 1.681 70.505 68.868 -0.074 0.000 1.004 4156 T HN 0.905 nan 8.240 nan 0.000 0.455 4157 A N 2.092 124.744 122.820 -0.280 0.000 2.252 4157 A HA 0.624 4.944 4.320 0.000 0.000 0.309 4157 A C 0.332 177.860 177.584 -0.094 0.000 1.285 4157 A CA -0.467 51.361 52.037 -0.348 0.000 0.900 4157 A CB 0.402 19.021 19.000 -0.635 0.000 1.157 4157 A HN 0.625 nan 8.150 nan 0.000 0.536 4158 S N 2.207 117.859 115.700 -0.080 0.000 2.423 4158 S HA 0.472 4.942 4.470 0.000 0.000 0.317 4158 S C 0.072 174.675 174.600 0.006 0.000 1.065 4158 S CA -0.309 57.882 58.200 -0.015 0.000 1.111 4158 S CB 0.227 63.415 63.200 -0.021 0.000 0.968 4158 S HN 0.893 nan 8.310 nan 0.000 0.474 4159 S N 3.195 118.898 115.700 0.005 0.000 2.525 4159 S HA 0.320 4.790 4.470 0.000 0.000 0.290 4159 S C 0.530 175.106 174.600 -0.040 0.000 1.152 4159 S CA -0.607 57.571 58.200 -0.036 0.000 1.072 4159 S CB 1.052 64.154 63.200 -0.163 0.000 1.027 4159 S HN 0.719 nan 8.310 nan 0.000 0.500 4160 D N 1.877 122.264 120.400 -0.022 0.000 2.363 4160 D HA 0.114 4.755 4.640 0.000 0.000 0.226 4160 D C 0.655 176.942 176.300 -0.022 0.000 1.020 4160 D CA 0.737 54.734 54.000 -0.005 0.000 0.892 4160 D CB 0.201 41.017 40.800 0.028 0.000 0.900 4160 D HN 0.708 nan 8.370 nan 0.000 0.531 4161 T N -4.193 110.312 114.554 -0.082 0.000 2.896 4161 T HA 0.286 4.637 4.350 0.000 0.000 0.297 4161 T C 0.383 175.019 174.700 -0.106 0.000 1.108 4161 T CA -0.879 61.187 62.100 -0.056 0.000 1.004 4161 T CB 1.123 69.946 68.868 -0.075 0.000 1.159 4161 T HN -0.122 nan 8.240 nan 0.000 0.499 4162 F N 0.110 119.941 119.950 -0.198 0.000 2.387 4162 F HA 0.232 4.760 4.527 0.000 0.000 0.294 4162 F C 0.942 176.412 175.800 -0.549 0.000 1.093 4162 F CA 0.616 58.384 58.000 -0.388 0.000 1.420 4162 F CB -0.001 38.730 39.000 -0.448 0.000 1.086 4162 F HN 0.681 nan 8.300 nan 0.000 0.531 4163 Y N 0.861 121.121 120.300 -0.067 0.000 2.344 4163 Y HA 0.157 4.708 4.550 0.001 0.000 0.261 4163 Y C -0.420 175.298 175.900 -0.303 0.000 1.080 4163 Y CA 0.457 58.463 58.100 -0.156 0.000 1.151 4163 Y CB -2.005 36.452 38.460 -0.005 0.000 1.059 4163 Y HN -0.225 nan 8.280 nan 0.000 0.490 4164 P HA -0.134 nan 4.420 nan 0.000 0.216 4164 P C 1.479 178.466 177.300 -0.521 0.000 1.150 4164 P CA 2.268 65.226 63.100 -0.238 0.000 0.837 4164 P CB -0.227 31.405 31.700 -0.114 0.000 0.786 4165 G N -0.129 108.244 108.800 -0.712 0.000 2.471 4165 G HA2 -0.199 3.761 3.960 0.000 0.000 0.219 4165 G HA3 -0.199 3.761 3.960 0.000 0.000 0.219 4165 G C 1.373 175.782 174.900 -0.817 0.000 1.125 4165 G CA 0.290 44.667 45.100 -1.205 0.000 0.775 4165 G HN 0.388 nan 8.290 nan 0.000 0.548 4166 Q N -0.512 118.826 119.800 -0.769 0.000 2.189 4166 Q HA 0.210 4.550 4.340 0.000 0.000 0.221 4166 Q C -0.078 175.585 176.000 -0.561 0.000 0.848 4166 Q CA -0.288 54.835 55.803 -1.134 0.000 1.007 4166 Q CB 0.471 28.410 28.738 -1.332 0.000 1.116 4166 Q HN 0.601 nan 8.270 nan 0.000 0.481 4167 E N 1.694 121.685 120.200 -0.347 0.000 2.199 4167 E HA -0.247 4.103 4.350 0.000 0.000 0.208 4167 E C -0.933 175.484 176.600 -0.305 0.000 1.310 4167 E CA 0.187 56.438 56.400 -0.247 0.000 0.709 4167 E CB -0.295 29.415 29.700 0.017 0.000 1.127 4167 E HN 0.319 nan 8.360 nan 0.000 0.354 4168 R N 0.266 120.565 120.500 -0.334 0.000 2.312 4168 R HA 0.230 4.570 4.340 0.000 0.000 0.311 4168 R C 0.137 176.310 176.300 -0.213 0.000 1.004 4168 R CA -0.266 55.736 56.100 -0.164 0.000 0.902 4168 R CB 0.563 30.809 30.300 -0.089 0.000 1.073 4168 R HN 0.228 nan 8.270 nan 0.000 0.457 4169 Y N -0.400 119.943 120.300 0.071 0.000 2.444 4169 Y HA 0.091 4.641 4.550 0.000 0.000 0.249 4169 Y C 0.276 176.217 175.900 0.069 0.000 1.134 4169 Y CA -0.236 57.902 58.100 0.062 0.000 1.261 4169 Y CB 0.630 39.113 38.460 0.039 0.000 1.143 4169 Y HN 0.475 nan 8.280 nan 0.000 0.523 4170 D N 1.621 122.153 120.400 0.219 0.000 2.848 4170 D HA 0.031 4.671 4.640 0.000 0.000 0.232 4170 D C 0.535 176.916 176.300 0.135 0.000 1.107 4170 D CA 0.422 54.527 54.000 0.175 0.000 1.020 4170 D CB -0.347 40.570 40.800 0.195 0.000 1.148 4170 D HN 0.280 nan 8.370 nan 0.000 0.453 4171 T N -3.919 110.681 114.554 0.076 0.000 2.888 4171 T HA 0.211 4.561 4.350 0.000 0.000 0.288 4171 T C 1.022 175.734 174.700 0.020 0.000 1.063 4171 T CA -0.885 61.204 62.100 -0.018 0.000 1.010 4171 T CB 0.987 69.816 68.868 -0.064 0.000 1.214 4171 T HN 0.083 nan 8.240 nan 0.000 0.533 4172 Y N 1.371 121.609 120.300 -0.104 0.000 2.128 4172 Y HA -0.126 4.424 4.550 0.000 0.000 0.284 4172 Y C 2.707 178.590 175.900 -0.029 0.000 1.154 4172 Y CA 2.623 60.685 58.100 -0.064 0.000 1.149 4172 Y CB -0.242 38.169 38.460 -0.081 0.000 0.976 4172 Y HN 0.754 nan 8.280 nan 0.000 0.505 4173 S N -1.229 114.419 115.700 -0.086 0.000 2.458 4173 S HA 0.174 4.644 4.470 0.000 0.000 0.223 4173 S C 1.863 176.424 174.600 -0.066 0.000 1.019 4173 S CA 0.531 58.645 58.200 -0.143 0.000 0.937 4173 S CB -0.351 62.853 63.200 0.007 0.000 0.788 4173 S HN 0.938 nan 8.310 nan 0.000 0.511 4174 G N 1.685 110.488 108.800 0.005 0.000 2.166 4174 G HA2 -0.337 3.623 3.960 0.000 0.000 0.260 4174 G HA3 -0.337 3.623 3.960 0.000 0.000 0.260 4174 G C 0.060 175.060 174.900 0.166 0.000 0.986 4174 G CA 0.508 45.665 45.100 0.095 0.000 0.683 4174 G HN 0.838 nan 8.290 nan 0.000 0.527 4175 R N -0.342 120.213 120.500 0.090 0.000 2.407 4175 R HA 0.636 4.976 4.340 0.000 0.000 0.303 4175 R C -0.886 175.445 176.300 0.051 0.000 0.981 4175 R CA -0.594 55.568 56.100 0.103 0.000 0.905 4175 R CB 1.521 31.859 30.300 0.063 0.000 1.099 4175 R HN 0.091 nan 8.270 nan 0.000 0.459 4176 V N 5.395 125.354 119.914 0.075 0.000 2.444 4176 V HA 0.185 4.305 4.120 0.000 0.000 0.294 4176 V C 0.074 176.229 176.094 0.102 0.000 1.022 4176 V CA -0.840 61.462 62.300 0.003 0.000 0.850 4176 V CB 1.656 33.375 31.823 -0.172 0.000 0.992 4176 V HN 0.680 nan 8.190 nan 0.000 0.426 4177 V N 6.380 126.371 119.914 0.128 0.000 2.901 4177 V HA 0.029 4.149 4.120 0.000 0.000 0.307 4177 V C 1.897 178.057 176.094 0.110 0.000 1.084 4177 V CA 0.852 63.229 62.300 0.128 0.000 1.184 4177 V CB 0.844 32.762 31.823 0.157 0.000 0.941 4177 V HN 0.991 nan 8.190 nan 0.000 0.493 4178 R N 3.875 124.410 120.500 0.059 0.000 2.159 4178 R HA -0.256 4.084 4.340 0.000 0.000 0.249 4178 R C 2.301 178.582 176.300 -0.032 0.000 1.136 4178 R CA 2.702 58.814 56.100 0.021 0.000 0.951 4178 R CB -0.432 29.870 30.300 0.003 0.000 0.876 4178 R HN 0.853 nan 8.270 nan 0.000 0.440 4179 R N -0.650 119.791 120.500 -0.098 0.000 2.133 4179 R HA -0.182 4.158 4.340 0.000 0.000 0.247 4179 R C 1.454 177.486 176.300 -0.447 0.000 1.151 4179 R CA 2.141 58.058 56.100 -0.306 0.000 0.971 4179 R CB -0.243 29.788 30.300 -0.449 0.000 0.866 4179 R HN 0.352 nan 8.270 nan 0.000 0.447 4180 F N 0.303 120.271 119.950 0.031 0.000 2.695 4180 F HA 0.269 4.796 4.527 0.000 0.000 0.303 4180 F C 0.400 176.208 175.800 0.014 0.000 1.091 4180 F CA -0.355 57.663 58.000 0.030 0.000 1.300 4180 F CB 0.456 39.476 39.000 0.032 0.000 1.071 4180 F HN -0.278 nan 8.300 nan 0.000 0.578 4181 K N 0.815 121.301 120.400 0.143 0.000 2.412 4181 K HA 0.237 4.557 4.320 0.000 0.000 0.284 4181 K C 1.150 177.799 176.600 0.083 0.000 1.046 4181 K CA 0.781 57.156 56.287 0.147 0.000 0.999 4181 K CB 0.319 32.891 32.500 0.119 0.000 0.941 4181 K HN 0.354 nan 8.250 nan 0.000 0.474 4182 G N 1.976 110.844 108.800 0.112 0.000 2.155 4182 G HA2 -0.347 3.614 3.960 0.000 0.000 0.257 4182 G HA3 -0.347 3.614 3.960 0.000 0.000 0.257 4182 G C 0.929 175.799 174.900 -0.050 0.000 0.983 4182 G CA 0.861 45.983 45.100 0.036 0.000 0.676 4182 G HN 0.691 nan 8.290 nan 0.000 0.528 4183 S N -0.769 114.912 115.700 -0.033 0.000 2.387 4183 S HA 0.037 4.507 4.470 0.000 0.000 0.226 4183 S C 2.258 176.690 174.600 -0.281 0.000 1.026 4183 S CA 1.585 59.639 58.200 -0.243 0.000 0.972 4183 S CB -0.275 62.947 63.200 0.038 0.000 0.814 4183 S HN 0.670 nan 8.310 nan 0.000 0.477 4184 M N 1.571 121.232 119.600 0.102 0.000 2.108 4184 M HA -0.119 4.361 4.480 0.000 0.000 0.261 4184 M C 2.141 178.490 176.300 0.081 0.000 1.066 4184 M CA 1.800 57.245 55.300 0.241 0.000 1.107 4184 M CB -0.294 32.497 32.600 0.318 0.000 1.356 4184 M HN 0.355 nan 8.290 nan 0.000 0.406 4185 E N -0.085 120.127 120.200 0.020 0.000 2.153 4185 E HA -0.208 4.143 4.350 0.000 0.000 0.194 4185 E C 1.814 178.381 176.600 -0.055 0.000 0.988 4185 E CA 1.406 57.804 56.400 -0.002 0.000 0.811 4185 E CB -0.097 29.600 29.700 -0.005 0.000 0.746 4185 E HN 0.682 nan 8.360 nan 0.000 0.466 4186 E N 0.006 120.096 120.200 -0.183 0.000 2.047 4186 E HA -0.169 4.182 4.350 0.000 0.000 0.191 4186 E C 1.845 178.369 176.600 -0.128 0.000 0.987 4186 E CA 0.985 57.231 56.400 -0.258 0.000 0.799 4186 E CB -0.165 29.228 29.700 -0.513 0.000 0.752 4186 E HN 0.406 nan 8.360 nan 0.000 0.449 4187 W N 1.563 122.867 121.300 0.007 0.000 2.363 4187 W HA -0.164 4.496 4.660 0.000 0.000 0.296 4187 W C 2.471 178.956 176.519 -0.056 0.000 1.212 4187 W CA 0.219 57.541 57.345 -0.038 0.000 1.260 4187 W CB -0.099 29.299 29.460 -0.102 0.000 1.131 4187 W HN 0.106 nan 8.180 nan 0.000 0.530 4188 Q N 0.401 120.297 119.800 0.161 0.000 2.061 4188 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 4188 Q C 2.503 178.542 176.000 0.064 0.000 0.984 4188 Q CA 1.760 57.612 55.803 0.081 0.000 0.846 4188 Q CB -0.661 28.110 28.738 0.055 0.000 0.902 4188 Q HN 0.323 nan 8.270 nan 0.000 0.421 4189 A N 0.578 123.426 122.820 0.048 0.000 2.019 4189 A HA -0.114 4.207 4.320 0.000 0.000 0.219 4189 A C 1.859 179.471 177.584 0.046 0.000 1.164 4189 A CA 1.134 53.189 52.037 0.030 0.000 0.644 4189 A CB -0.344 18.660 19.000 0.007 0.000 0.805 4189 A HN 0.302 nan 8.150 nan 0.000 0.449 4190 M N -1.258 118.394 119.600 0.086 0.000 2.561 4190 M HA 0.169 4.650 4.480 0.000 0.000 0.238 4190 M C 1.321 177.671 176.300 0.082 0.000 1.131 4190 M CA 0.740 56.102 55.300 0.102 0.000 1.046 4190 M CB 0.224 32.936 32.600 0.187 0.000 1.532 4190 M HN 0.608 nan 8.290 nan 0.000 0.497 4191 G N 0.550 109.390 108.800 0.067 0.000 2.157 4191 G HA2 -0.208 3.752 3.960 0.000 0.000 0.248 4191 G HA3 -0.208 3.752 3.960 0.000 0.000 0.248 4191 G C 0.102 175.022 174.900 0.033 0.000 0.979 4191 G CA -0.184 44.943 45.100 0.045 0.000 0.650 4191 G HN 0.311 nan 8.290 nan 0.000 0.529 4192 V N 1.932 121.866 119.914 0.034 0.000 2.599 4192 V HA 0.182 4.302 4.120 0.000 0.000 0.300 4192 V C 1.882 177.937 176.094 -0.065 0.000 1.034 4192 V CA 1.196 63.471 62.300 -0.040 0.000 1.115 4192 V CB 1.155 32.922 31.823 -0.094 0.000 0.934 4192 V HN 0.407 nan 8.190 nan 0.000 0.485 4193 M N 3.201 122.751 119.600 -0.083 0.000 2.287 4193 M HA 0.102 4.582 4.480 0.000 0.000 0.266 4193 M C 0.688 176.907 176.300 -0.135 0.000 1.079 4193 M CA 1.055 56.299 55.300 -0.092 0.000 1.146 4193 M CB -0.076 32.483 32.600 -0.067 0.000 1.374 4193 M HN 0.946 nan 8.290 nan 0.000 0.435 4194 N N -1.679 116.919 118.700 -0.171 0.000 3.179 4194 N HA 0.211 4.951 4.740 0.000 0.000 0.250 4194 N C -1.917 173.458 175.510 -0.226 0.000 1.507 4194 N CA -0.668 52.282 53.050 -0.167 0.000 0.883 4194 N CB 1.267 39.712 38.487 -0.071 0.000 1.435 4194 N HN -0.089 nan 8.380 nan 0.000 0.532 4195 Y N -0.528 119.721 120.300 -0.084 0.000 2.446 4195 Y HA 0.529 5.080 4.550 0.001 0.000 0.345 4195 Y C 0.009 175.850 175.900 -0.097 0.000 0.984 4195 Y CA -0.221 57.812 58.100 -0.113 0.000 1.058 4195 Y CB 1.759 40.133 38.460 -0.144 0.000 1.220 4195 Y HN 0.832 nan 8.280 nan 0.000 0.455 4196 E N -0.033 120.229 120.200 0.103 0.000 2.425 4196 E HA 0.514 4.865 4.350 0.000 0.000 0.272 4196 E C -1.275 175.339 176.600 0.023 0.000 1.061 4196 E CA -0.751 55.675 56.400 0.043 0.000 0.877 4196 E CB 1.113 30.830 29.700 0.029 0.000 1.590 4196 E HN 0.443 nan 8.360 nan 0.000 0.462 4197 M N -0.399 119.213 119.600 0.019 0.000 2.410 4197 M HA 0.361 4.841 4.480 0.000 0.000 0.376 4197 M C -0.249 176.056 176.300 0.007 0.000 1.051 4197 M CA 0.118 55.423 55.300 0.009 0.000 0.949 4197 M CB 0.726 33.336 32.600 0.017 0.000 1.577 4197 M HN 0.506 nan 8.290 nan 0.000 0.560 4198 E N -0.583 119.620 120.200 0.005 0.000 2.500 4198 E HA 0.072 4.422 4.350 0.000 0.000 0.217 4198 E C 1.833 178.425 176.600 -0.014 0.000 0.848 4198 E CA 0.625 57.024 56.400 -0.002 0.000 1.217 4198 E CB 0.337 30.039 29.700 0.004 0.000 1.217 4198 E HN 0.319 nan 8.360 nan 0.000 0.573 4199 S N 0.966 116.659 115.700 -0.011 0.000 2.382 4199 S HA -0.138 4.332 4.470 0.000 0.000 0.228 4199 S C 2.221 176.809 174.600 -0.019 0.000 1.027 4199 S CA 1.062 59.252 58.200 -0.016 0.000 0.991 4199 S CB -0.341 62.851 63.200 -0.013 0.000 0.823 4199 S HN 0.232 nan 8.310 nan 0.000 0.469 4200 A N 1.822 124.635 122.820 -0.012 0.000 1.883 4200 A HA -0.057 4.263 4.320 0.000 0.000 0.217 4200 A C 2.475 180.058 177.584 -0.002 0.000 1.186 4200 A CA 2.243 54.281 52.037 0.001 0.000 0.624 4200 A CB -1.753 17.253 19.000 0.011 0.000 0.822 4200 A HN 0.579 nan 8.150 nan 0.000 0.444 4201 T N 0.006 114.552 114.554 -0.014 0.000 2.674 4201 T HA -0.131 4.219 4.350 0.000 0.000 0.265 4201 T C 1.878 176.496 174.700 -0.136 0.000 1.039 4201 T CA 1.525 63.602 62.100 -0.038 0.000 1.150 4201 T CB -0.459 68.395 68.868 -0.024 0.000 0.864 4201 T HN 0.340 nan 8.240 nan 0.000 0.427 4202 L N 1.181 122.329 121.223 -0.125 0.000 1.970 4202 L HA -0.047 4.293 4.340 0.000 0.000 0.212 4202 L C 2.233 179.005 176.870 -0.164 0.000 1.071 4202 L CA 1.758 56.490 54.840 -0.179 0.000 0.751 4202 L CB -0.778 41.213 42.059 -0.114 0.000 0.889 4202 L HN 0.253 nan 8.230 nan 0.000 0.432 4203 L N -1.300 119.878 121.223 -0.076 0.000 2.083 4203 L HA -0.196 4.144 4.340 0.000 0.000 0.209 4203 L C 2.353 179.218 176.870 -0.008 0.000 1.083 4203 L CA 1.694 56.518 54.840 -0.026 0.000 0.752 4203 L CB -1.229 40.839 42.059 0.014 0.000 0.899 4203 L HN 0.337 nan 8.230 nan 0.000 0.433 4204 T N 0.615 115.160 114.554 -0.016 0.000 2.737 4204 T HA -0.195 4.155 4.350 0.000 0.000 0.265 4204 T C 1.874 176.471 174.700 -0.171 0.000 1.038 4204 T CA 1.838 63.945 62.100 0.012 0.000 1.144 4204 T CB -0.233 68.667 68.868 0.053 0.000 0.866 4204 T HN 0.448 nan 8.240 nan 0.000 0.434 4205 M N 0.188 119.552 119.600 -0.394 0.000 2.229 4205 M HA -0.014 4.466 4.480 0.000 0.000 0.264 4205 M C 2.185 178.208 176.300 -0.461 0.000 1.063 4205 M CA 1.472 56.293 55.300 -0.799 0.000 1.114 4205 M CB -1.045 30.604 32.600 -1.584 0.000 1.387 4205 M HN 0.183 nan 8.290 nan 0.000 0.420 4206 C N 1.256 120.379 119.300 -0.295 0.000 2.500 4206 C HA 0.211 4.672 4.460 0.000 0.000 0.279 4206 C C 3.262 178.231 174.990 -0.036 0.000 1.288 4206 C CA 0.921 59.846 59.018 -0.155 0.000 1.710 4206 C CB -1.021 26.657 27.740 -0.102 0.000 2.052 4206 C HN 0.758 nan 8.230 nan 0.000 0.488 4207 A N 0.978 123.814 122.820 0.027 0.000 2.070 4207 A HA -0.113 4.208 4.320 0.000 0.000 0.220 4207 A C 2.086 179.771 177.584 0.167 0.000 1.159 4207 A CA 2.040 54.171 52.037 0.158 0.000 0.656 4207 A CB -0.535 18.644 19.000 0.298 0.000 0.800 4207 A HN 0.711 nan 8.150 nan 0.000 0.453 4208 S N -1.955 113.708 115.700 -0.060 0.000 2.557 4208 S HA 0.209 4.679 4.470 0.000 0.000 0.223 4208 S C 0.807 175.355 174.600 -0.087 0.000 0.969 4208 S CA 0.073 58.138 58.200 -0.224 0.000 0.927 4208 S CB 0.109 62.934 63.200 -0.625 0.000 0.806 4208 S HN 0.622 nan 8.310 nan 0.000 0.489 4209 Q N 0.344 120.121 119.800 -0.039 0.000 2.057 4209 Q HA 0.334 4.674 4.340 0.000 0.000 0.216 4209 Q C 0.608 176.622 176.000 0.024 0.000 0.788 4209 Q CA 0.031 55.830 55.803 -0.006 0.000 1.053 4209 Q CB 1.082 29.806 28.738 -0.024 0.000 1.210 4209 Q HN 0.625 nan 8.270 nan 0.000 0.455 4210 G N 1.586 110.411 108.800 0.042 0.000 2.198 4210 G HA2 -0.273 3.687 3.960 0.000 0.000 0.260 4210 G HA3 -0.273 3.687 3.960 0.000 0.000 0.260 4210 G C -0.149 174.792 174.900 0.068 0.000 1.025 4210 G CA 0.270 45.405 45.100 0.058 0.000 0.769 4210 G HN 0.261 nan 8.290 nan 0.000 0.507 4211 L N -0.592 120.674 121.223 0.073 0.000 2.334 4211 L HA 0.643 4.983 4.340 0.000 0.000 0.273 4211 L C 0.878 177.825 176.870 0.127 0.000 1.013 4211 L CA -1.165 53.750 54.840 0.125 0.000 0.816 4211 L CB 1.513 43.666 42.059 0.156 0.000 1.278 4211 L HN 0.066 nan 8.230 nan 0.000 0.431 4212 R N 1.828 122.419 120.500 0.152 0.000 2.297 4212 R HA 0.755 5.095 4.340 0.000 0.000 0.308 4212 R C -0.711 175.690 176.300 0.169 0.000 1.029 4212 R CA -0.492 55.683 56.100 0.125 0.000 0.929 4212 R CB 1.584 31.933 30.300 0.082 0.000 1.046 4212 R HN 0.688 nan 8.270 nan 0.000 0.461 4213 A N 1.497 124.388 122.820 0.119 0.000 2.449 4213 A HA 0.790 5.111 4.320 0.000 0.000 0.302 4213 A C -0.671 176.954 177.584 0.069 0.000 1.048 4213 A CA -0.671 51.436 52.037 0.116 0.000 0.708 4213 A CB 2.150 21.190 19.000 0.067 0.000 1.274 4213 A HN 0.762 nan 8.150 nan 0.000 0.410 4214 G N -0.147 108.690 108.800 0.062 0.000 2.574 4214 G HA2 0.672 4.633 3.960 0.000 0.000 0.299 4214 G HA3 0.672 4.633 3.960 0.000 0.000 0.299 4214 G C -1.179 173.738 174.900 0.029 0.000 1.298 4214 G CA -0.571 44.547 45.100 0.030 0.000 0.952 4214 G HN 1.060 nan 8.290 nan 0.000 0.477 4215 M N 1.910 121.518 119.600 0.014 0.000 2.224 4215 M HA 0.685 5.165 4.480 0.000 0.000 0.281 4215 M C -1.815 174.489 176.300 0.007 0.000 1.025 4215 M CA -0.825 54.482 55.300 0.013 0.000 0.954 4215 M CB 1.864 34.469 32.600 0.008 0.000 1.639 4215 M HN 0.695 nan 8.290 nan 0.000 0.461 4216 V N 4.155 124.075 119.914 0.009 0.000 2.925 4216 V HA 1.055 5.176 4.120 0.000 0.000 0.311 4216 V C -1.654 174.448 176.094 0.013 0.000 1.104 4216 V CA 0.189 62.494 62.300 0.008 0.000 0.954 4216 V CB 1.988 33.813 31.823 0.003 0.000 1.022 4216 V HN 1.226 nan 8.190 nan 0.000 0.427 4217 A N 3.573 126.403 122.820 0.016 0.000 2.606 4217 A HA 0.922 5.242 4.320 0.000 0.000 0.293 4217 A C -0.332 177.266 177.584 0.024 0.000 1.082 4217 A CA -0.164 51.884 52.037 0.018 0.000 0.685 4217 A CB 1.840 20.849 19.000 0.016 0.000 1.284 4217 A HN 1.652 nan 8.150 nan 0.000 0.408 4218 G N -0.077 108.735 108.800 0.021 0.000 2.356 4218 G HA2 0.538 4.499 3.960 0.000 0.000 0.322 4218 G HA3 0.538 4.499 3.960 0.000 0.000 0.322 4218 G C -0.546 174.364 174.900 0.016 0.000 1.125 4218 G CA -0.406 44.707 45.100 0.022 0.000 0.885 4218 G HN 0.970 nan 8.290 nan 0.000 0.467 4219 V N 3.658 123.583 119.914 0.018 0.000 2.439 4219 V HA 0.087 4.207 4.120 0.000 0.000 0.271 4219 V C 1.403 177.500 176.094 0.005 0.000 1.040 4219 V CA 0.111 62.418 62.300 0.011 0.000 1.002 4219 V CB 0.612 32.440 31.823 0.008 0.000 1.000 4219 V HN 0.768 nan 8.190 nan 0.000 0.477 4220 I N 3.272 123.847 120.570 0.009 0.000 4.057 4220 I HA 0.537 4.707 4.170 0.000 0.000 0.334 4220 I C 0.257 176.381 176.117 0.013 0.000 1.308 4220 I CA 0.296 61.601 61.300 0.009 0.000 1.125 4220 I CB 1.042 39.051 38.000 0.016 0.000 1.034 4220 I HN 0.436 nan 8.210 nan 0.000 0.401 4221 V N 1.205 121.127 119.914 0.013 0.000 3.167 4221 V HA 0.421 4.541 4.120 0.000 0.000 0.293 4221 V C -1.968 174.130 176.094 0.007 0.000 1.379 4221 V CA -0.628 61.680 62.300 0.013 0.000 1.019 4221 V CB 2.291 34.128 31.823 0.023 0.000 1.115 4221 V HN 0.368 nan 8.190 nan 0.000 0.442 4222 N N 4.665 123.368 118.700 0.006 0.000 2.479 4222 N HA 0.404 5.144 4.740 0.000 0.000 0.261 4222 N C 0.689 176.208 175.510 0.015 0.000 0.979 4222 N CA -0.602 52.448 53.050 -0.000 0.000 0.930 4222 N CB 1.805 40.285 38.487 -0.011 0.000 1.172 4222 N HN 0.643 nan 8.380 nan 0.000 0.499 4223 R N 0.892 121.408 120.500 0.027 0.000 2.152 4223 R HA -0.070 4.270 4.340 0.000 0.000 0.232 4223 R C 1.519 177.847 176.300 0.047 0.000 1.117 4223 R CA 1.367 57.494 56.100 0.046 0.000 0.981 4223 R CB -0.965 29.387 30.300 0.088 0.000 0.870 4223 R HN 0.710 nan 8.270 nan 0.000 0.451 4224 T N -2.534 112.041 114.554 0.035 0.000 3.098 4224 T HA -0.065 4.286 4.350 0.000 0.000 0.266 4224 T C 1.525 176.243 174.700 0.030 0.000 1.145 4224 T CA 0.929 63.050 62.100 0.034 0.000 1.092 4224 T CB 0.125 69.009 68.868 0.027 0.000 0.908 4224 T HN 0.224 nan 8.240 nan 0.000 0.526 4225 Q N 0.188 120.004 119.800 0.027 0.000 2.369 4225 Q HA 0.282 4.622 4.340 0.000 0.000 0.254 4225 Q C 0.546 176.563 176.000 0.028 0.000 0.858 4225 Q CA -0.078 55.739 55.803 0.024 0.000 0.961 4225 Q CB 0.678 29.427 28.738 0.018 0.000 1.119 4225 Q HN 0.750 nan 8.270 nan 0.000 0.538 4226 Q N -0.822 118.997 119.800 0.032 0.000 2.959 4226 Q HA 0.181 4.521 4.340 0.000 0.000 0.288 4226 Q C -1.500 174.522 176.000 0.037 0.000 0.911 4226 Q CA -0.449 55.377 55.803 0.037 0.000 0.800 4226 Q CB 0.641 29.399 28.738 0.035 0.000 1.645 4226 Q HN 0.042 nan 8.270 nan 0.000 0.454 4240 H N 0.917 119.975 119.070 -0.019 0.000 2.319 4240 H HA -0.063 4.493 4.556 0.000 0.000 0.299 4240 H C 2.494 177.809 175.328 -0.022 0.000 1.092 4240 H CA 1.414 57.450 56.048 -0.021 0.000 1.302 4240 H CB 0.054 29.804 29.762 -0.021 0.000 1.373 4240 H HN 0.516 nan 8.280 nan 0.000 0.497 4241 A N 0.584 123.476 122.820 0.119 0.000 1.883 4241 A HA -0.159 4.161 4.320 0.000 0.000 0.217 4241 A C 2.656 180.256 177.584 0.027 0.000 1.186 4241 A CA 1.733 53.801 52.037 0.053 0.000 0.624 4241 A CB -0.828 18.194 19.000 0.036 0.000 0.822 4241 A HN 0.214 nan 8.150 nan 0.000 0.444 4242 V N -0.019 119.908 119.914 0.022 0.000 2.358 4242 V HA -0.258 3.862 4.120 0.000 0.000 0.246 4242 V C 2.429 178.524 176.094 0.001 0.000 1.047 4242 V CA 2.332 64.634 62.300 0.003 0.000 1.035 4242 V CB -0.673 31.145 31.823 -0.009 0.000 0.658 4242 V HN 0.541 nan 8.190 nan 0.000 0.452 4243 K N -0.238 120.170 120.400 0.012 0.000 2.097 4243 K HA -0.060 4.260 4.320 0.000 0.000 0.205 4243 K C 2.047 178.639 176.600 -0.013 0.000 1.050 4243 K CA 1.414 57.701 56.287 0.000 0.000 0.938 4243 K CB -0.240 32.266 32.500 0.010 0.000 0.718 4243 K HN 0.398 nan 8.250 nan 0.000 0.442 4244 I N 0.263 120.826 120.570 -0.012 0.000 2.252 4244 I HA -0.243 3.927 4.170 0.000 0.000 0.245 4244 I C 2.317 178.421 176.117 -0.021 0.000 1.102 4244 I CA 0.855 62.139 61.300 -0.025 0.000 1.385 4244 I CB -0.198 37.787 38.000 -0.025 0.000 1.064 4244 I HN -0.010 nan 8.210 nan 0.000 0.414 4245 V N 0.431 120.338 119.914 -0.012 0.000 2.515 4245 V HA -0.183 3.937 4.120 0.000 0.000 0.250 4245 V C 2.313 178.398 176.094 -0.015 0.000 1.058 4245 V CA 1.500 63.793 62.300 -0.011 0.000 1.064 4245 V CB 0.186 32.007 31.823 -0.003 0.000 0.675 4245 V HN 0.204 nan 8.190 nan 0.000 0.461 4246 V N 0.100 120.004 119.914 -0.017 0.000 2.379 4246 V HA -0.172 3.948 4.120 0.000 0.000 0.245 4246 V C 2.497 178.579 176.094 -0.021 0.000 1.044 4246 V CA 2.160 64.449 62.300 -0.018 0.000 1.036 4246 V CB -0.584 31.228 31.823 -0.019 0.000 0.664 4246 V HN 0.685 nan 8.190 nan 0.000 0.453 4247 E N 1.027 121.212 120.200 -0.024 0.000 2.110 4247 E HA -0.157 4.193 4.350 0.000 0.000 0.193 4247 E C 2.052 178.634 176.600 -0.031 0.000 0.988 4247 E CA 1.638 58.021 56.400 -0.028 0.000 0.804 4247 E CB -0.411 29.269 29.700 -0.034 0.000 0.745 4247 E HN 0.501 nan 8.360 nan 0.000 0.458 4248 A N 0.830 123.631 122.820 -0.032 0.000 1.898 4248 A HA 0.022 4.342 4.320 0.000 0.000 0.216 4248 A C 2.465 180.030 177.584 -0.032 0.000 1.181 4248 A CA 1.856 53.872 52.037 -0.036 0.000 0.620 4248 A CB -1.027 17.952 19.000 -0.036 0.000 0.819 4248 A HN 0.396 nan 8.150 nan 0.000 0.442 4249 A N 0.047 122.851 122.820 -0.028 0.000 1.940 4249 A HA -0.206 4.114 4.320 0.000 0.000 0.219 4249 A C 2.217 179.784 177.584 -0.028 0.000 1.176 4249 A CA 1.615 53.635 52.037 -0.029 0.000 0.631 4249 A CB -0.505 18.479 19.000 -0.026 0.000 0.814 4249 A HN 0.575 nan 8.150 nan 0.000 0.446 4250 R N -0.640 119.845 120.500 -0.025 0.000 2.091 4250 R HA -0.130 4.211 4.340 0.000 0.000 0.238 4250 R C 2.192 178.478 176.300 -0.024 0.000 1.136 4250 R CA 1.694 57.780 56.100 -0.023 0.000 0.959 4250 R CB -0.316 29.972 30.300 -0.021 0.000 0.856 4250 R HN 0.507 nan 8.270 nan 0.000 0.437 4251 R N 0.367 120.851 120.500 -0.027 0.000 2.316 4251 R HA 0.009 4.349 4.340 0.000 0.000 0.202 4251 R C 1.466 177.749 176.300 -0.028 0.000 1.029 4251 R CA 0.649 56.732 56.100 -0.028 0.000 1.018 4251 R CB 0.065 30.344 30.300 -0.036 0.000 0.888 4251 R HN 0.230 nan 8.270 nan 0.000 0.471 4252 L N 0.142 121.348 121.223 -0.029 0.000 2.766 4252 L HA 0.223 4.564 4.340 0.000 0.000 0.242 4252 L C 0.489 177.343 176.870 -0.027 0.000 1.136 4252 L CA -0.241 54.582 54.840 -0.027 0.000 0.933 4252 L CB 0.233 42.273 42.059 -0.031 0.000 1.241 4252 L HN 0.035 nan 8.230 nan 0.000 0.522 4253 L N 0.000 121.208 121.223 -0.026 0.000 2.949 4253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 4253 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 4253 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 4253 L HN 0.000 nan 8.230 nan 0.000 0.502