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 2hwu_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 RTQQEIPXXX 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 0.000 176.595 176.600 -0.008 0.000 0.988 4003 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 4003 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 4004 S N 0.644 116.334 115.700 -0.017 0.000 2.592 4004 S HA 0.283 4.754 4.470 0.000 0.000 0.275 4004 S C -1.030 173.567 174.600 -0.006 0.000 1.169 4004 S CA -0.592 57.598 58.200 -0.017 0.000 0.958 4004 S CB 1.604 64.770 63.200 -0.057 0.000 1.095 4004 S HN 0.215 nan 8.310 nan 0.000 0.471 4005 D N 1.828 122.233 120.400 0.009 0.000 2.323 4005 D HA 0.100 4.740 4.640 0.000 0.000 0.209 4005 D C 1.052 177.374 176.300 0.036 0.000 0.973 4005 D CA 1.088 55.101 54.000 0.021 0.000 0.874 4005 D CB 0.484 41.297 40.800 0.021 0.000 0.930 4005 D HN 0.515 nan 8.370 nan 0.000 0.521 4006 V N -2.361 117.574 119.914 0.035 0.000 3.019 4006 V HA 0.364 4.484 4.120 0.000 0.000 0.317 4006 V C 0.883 177.013 176.094 0.059 0.000 1.094 4006 V CA -0.946 61.393 62.300 0.065 0.000 1.000 4006 V CB 1.568 33.428 31.823 0.062 0.000 1.060 4006 V HN -0.173 nan 8.190 nan 0.000 0.443 4007 F N 0.559 120.461 119.950 -0.079 0.000 2.367 4007 F HA 0.144 4.671 4.527 0.000 0.000 0.298 4007 F C 1.787 177.362 175.800 -0.375 0.000 1.094 4007 F CA 2.037 59.894 58.000 -0.238 0.000 1.409 4007 F CB 0.030 38.846 39.000 -0.306 0.000 1.064 4007 F HN 0.821 nan 8.300 nan 0.000 0.528 4008 H N -1.689 117.375 119.070 -0.011 0.000 2.408 4008 H HA 0.250 4.807 4.556 0.000 0.000 0.271 4008 H C 1.944 177.294 175.328 0.037 0.000 0.957 4008 H CA 0.787 56.829 56.048 -0.009 0.000 1.170 4008 H CB -0.165 29.667 29.762 0.117 0.000 1.458 4008 H HN 0.043 nan 8.280 nan 0.000 0.491 4009 L N 0.034 121.323 121.223 0.110 0.000 2.291 4009 L HA 0.121 4.461 4.340 0.000 0.000 0.214 4009 L C 1.105 178.118 176.870 0.239 0.000 1.120 4009 L CA 0.736 55.665 54.840 0.147 0.000 0.799 4009 L CB -0.306 41.770 42.059 0.029 0.000 0.925 4009 L HN 0.548 nan 8.230 nan 0.000 0.446 4010 G N 1.143 110.000 108.800 0.095 0.000 2.272 4010 G HA2 -0.262 3.698 3.960 0.000 0.000 0.280 4010 G HA3 -0.262 3.698 3.960 0.000 0.000 0.280 4010 G C -0.230 174.734 174.900 0.106 0.000 1.067 4010 G CA 0.041 45.186 45.100 0.076 0.000 0.902 4010 G HN 0.249 nan 8.290 nan 0.000 0.500 4011 L N -0.053 121.204 121.223 0.058 0.000 2.370 4011 L HA 0.807 5.147 4.340 0.000 0.000 0.266 4011 L C 0.707 177.591 176.870 0.024 0.000 1.002 4011 L CA -0.663 54.202 54.840 0.042 0.000 0.818 4011 L CB 2.421 44.507 42.059 0.044 0.000 1.325 4011 L HN 0.334 nan 8.230 nan 0.000 0.418 4012 T N -3.091 111.472 114.554 0.016 0.000 2.925 4012 T HA 0.276 4.627 4.350 0.000 0.000 0.285 4012 T C 0.697 175.403 174.700 0.011 0.000 1.021 4012 T CA -0.839 61.268 62.100 0.011 0.000 1.042 4012 T CB 2.062 70.933 68.868 0.005 0.000 1.037 4012 T HN 0.652 nan 8.240 nan 0.000 0.481 4013 K N 0.613 121.020 120.400 0.011 0.000 2.160 4013 K HA -0.223 4.098 4.320 0.000 0.000 0.206 4013 K C 1.927 178.529 176.600 0.004 0.000 1.047 4013 K CA 1.580 57.873 56.287 0.009 0.000 0.930 4013 K CB -0.228 32.279 32.500 0.010 0.000 0.720 4013 K HN 0.635 nan 8.250 nan 0.000 0.450 4014 N N 1.330 120.031 118.700 0.002 0.000 2.188 4014 N HA -0.140 4.600 4.740 0.000 0.000 0.184 4014 N C 1.001 176.508 175.510 -0.005 0.000 1.018 4014 N CA 1.479 54.527 53.050 -0.002 0.000 0.858 4014 N CB -0.143 38.342 38.487 -0.003 0.000 0.989 4014 N HN 0.158 nan 8.380 nan 0.000 0.426 4015 D N -0.216 120.181 120.400 -0.005 0.000 2.182 4015 D HA -0.119 4.521 4.640 0.000 0.000 0.201 4015 D C 1.537 177.832 176.300 -0.008 0.000 0.986 4015 D CA 0.628 54.621 54.000 -0.011 0.000 0.847 4015 D CB -0.113 40.682 40.800 -0.008 0.000 0.942 4015 D HN 0.255 nan 8.370 nan 0.000 0.467 4016 L N 0.350 121.571 121.223 -0.003 0.000 2.395 4016 L HA 0.004 4.344 4.340 0.000 0.000 0.218 4016 L C 0.665 177.532 176.870 -0.005 0.000 1.130 4016 L CA 0.567 55.405 54.840 -0.003 0.000 0.826 4016 L CB -0.345 41.711 42.059 -0.005 0.000 0.941 4016 L HN -0.038 nan 8.230 nan 0.000 0.451 4017 Q N -0.019 119.778 119.800 -0.006 0.000 2.451 4017 Q HA -0.261 4.079 4.340 0.000 0.000 0.305 4017 Q C 1.259 177.255 176.000 -0.007 0.000 1.345 4017 Q CA 0.923 56.722 55.803 -0.006 0.000 0.854 4017 Q CB -2.137 26.598 28.738 -0.005 0.000 1.162 4017 Q HN 0.671 nan 8.270 nan 0.000 0.440 4018 G N -1.919 106.876 108.800 -0.008 0.000 2.179 4018 G HA2 -0.301 3.660 3.960 0.000 0.000 0.260 4018 G HA3 -0.301 3.660 3.960 0.000 0.000 0.260 4018 G C 0.413 175.302 174.900 -0.018 0.000 0.977 4018 G CA 0.456 45.550 45.100 -0.011 0.000 0.641 4018 G HN 1.322 nan 8.290 nan 0.000 0.533 4019 A N -0.447 122.360 122.820 -0.021 0.000 2.561 4019 A HA 0.531 4.851 4.320 0.000 0.000 0.234 4019 A C 1.032 178.582 177.584 -0.055 0.000 1.055 4019 A CA 1.634 53.650 52.037 -0.035 0.000 0.756 4019 A CB 0.190 19.171 19.000 -0.033 0.000 0.986 4019 A HN 0.636 nan 8.150 nan 0.000 0.505 4020 Q N 0.295 120.051 119.800 -0.074 0.000 2.113 4020 Q HA 0.341 4.681 4.340 0.000 0.000 0.225 4020 Q C -0.574 175.326 176.000 -0.167 0.000 0.786 4020 Q CA -0.039 55.703 55.803 -0.101 0.000 0.989 4020 Q CB 0.784 29.484 28.738 -0.064 0.000 1.174 4020 Q HN 0.718 nan 8.270 nan 0.000 0.470 4021 L N 0.671 121.798 121.223 -0.161 0.000 2.386 4021 L HA 0.846 5.186 4.340 0.000 0.000 0.271 4021 L C -1.744 175.005 176.870 -0.201 0.000 0.993 4021 L CA -0.687 54.032 54.840 -0.202 0.000 0.819 4021 L CB 1.716 43.706 42.059 -0.116 0.000 1.294 4021 L HN -0.074 nan 8.230 nan 0.000 0.414 4022 A N 5.761 128.411 122.820 -0.283 0.000 2.343 4022 A HA 0.663 4.983 4.320 0.000 0.000 0.308 4022 A C -0.853 176.696 177.584 -0.058 0.000 1.092 4022 A CA -0.541 51.398 52.037 -0.162 0.000 0.751 4022 A CB 0.923 19.810 19.000 -0.188 0.000 1.203 4022 A HN 0.674 nan 8.150 nan 0.000 0.452 4023 I N 2.576 123.144 120.570 -0.003 0.000 2.416 4023 I HA 0.279 4.449 4.170 0.000 0.000 0.288 4023 I C 0.041 176.201 176.117 0.071 0.000 1.051 4023 I CA -0.300 61.019 61.300 0.032 0.000 1.375 4023 I CB 1.418 39.428 38.000 0.017 0.000 1.407 4023 I HN 0.442 nan 8.210 nan 0.000 0.516 4024 V N 5.721 125.694 119.914 0.099 0.000 2.250 4024 V HA 0.453 4.574 4.120 0.000 0.000 0.268 4024 V C -2.424 173.721 176.094 0.086 0.000 1.043 4024 V CA -1.962 60.411 62.300 0.121 0.000 0.814 4024 V CB 0.158 32.090 31.823 0.182 0.000 1.072 4024 V HN 0.476 nan 8.190 nan 0.000 0.451 4025 P HA 0.286 nan 4.420 nan 0.000 0.274 4025 P C 0.937 178.271 177.300 0.056 0.000 1.246 4025 P CA 0.214 63.342 63.100 0.047 0.000 0.795 4025 P CB 1.625 33.340 31.700 0.025 0.000 1.006 4026 G N -0.510 108.312 108.800 0.037 0.000 2.939 4026 G HA2 -0.008 3.952 3.960 0.000 0.000 0.210 4026 G HA3 -0.008 3.952 3.960 0.000 0.000 0.210 4026 G C -0.010 174.898 174.900 0.013 0.000 1.160 4026 G CA 0.293 45.412 45.100 0.032 0.000 0.770 4026 G HN 0.481 nan 8.290 nan 0.000 0.543 4027 D N -0.111 120.294 120.400 0.007 0.000 2.425 4027 D HA 0.305 4.945 4.640 0.000 0.000 0.240 4027 D C -1.414 174.887 176.300 0.001 0.000 1.080 4027 D CA -2.369 51.625 54.000 -0.010 0.000 0.836 4027 D CB 2.614 43.401 40.800 -0.022 0.000 1.125 4027 D HN -0.087 nan 8.370 nan 0.000 0.525 4028 P HA -0.116 nan 4.420 nan 0.000 0.221 4028 P C 0.567 177.878 177.300 0.017 0.000 1.145 4028 P CA 0.948 64.064 63.100 0.027 0.000 0.795 4028 P CB 0.530 32.236 31.700 0.012 0.000 0.775 4029 E N -0.668 119.527 120.200 -0.008 0.000 2.371 4029 E HA -0.040 4.310 4.350 0.000 0.000 0.194 4029 E C 1.711 178.281 176.600 -0.050 0.000 1.012 4029 E CA 0.295 56.683 56.400 -0.021 0.000 0.860 4029 E CB -0.076 29.610 29.700 -0.024 0.000 0.811 4029 E HN 0.055 nan 8.360 nan 0.000 0.502 4030 R N 0.112 120.583 120.500 -0.050 0.000 2.300 4030 R HA 0.062 4.402 4.340 0.000 0.000 0.199 4030 R C 1.930 178.166 176.300 -0.106 0.000 0.920 4030 R CA 0.078 56.136 56.100 -0.071 0.000 1.046 4030 R CB -0.364 29.908 30.300 -0.047 0.000 0.984 4030 R HN 0.006 nan 8.270 nan 0.000 0.493 4031 V N 0.629 120.484 119.914 -0.098 0.000 2.287 4031 V HA -0.266 3.855 4.120 0.000 0.000 0.248 4031 V C 2.237 178.091 176.094 -0.401 0.000 1.053 4031 V CA 2.164 64.381 62.300 -0.138 0.000 1.027 4031 V CB -0.345 31.477 31.823 -0.002 0.000 0.646 4031 V HN 0.394 nan 8.190 nan 0.000 0.447 4032 E N 0.218 120.092 120.200 -0.544 0.000 2.038 4032 E HA -0.263 4.087 4.350 0.000 0.000 0.195 4032 E C 2.309 178.549 176.600 -0.600 0.000 1.000 4032 E CA 1.543 57.383 56.400 -0.932 0.000 0.803 4032 E CB -0.076 29.268 29.700 -0.593 0.000 0.750 4032 E HN 0.570 nan 8.360 nan 0.000 0.448 4033 K N 0.177 120.377 120.400 -0.333 0.000 2.020 4033 K HA -0.189 4.131 4.320 0.000 0.000 0.212 4033 K C 2.272 178.754 176.600 -0.197 0.000 1.050 4033 K CA 1.798 57.954 56.287 -0.218 0.000 0.929 4033 K CB -0.286 32.130 32.500 -0.140 0.000 0.714 4033 K HN 0.245 nan 8.250 nan 0.000 0.443 4034 I N 0.997 121.458 120.570 -0.182 0.000 2.142 4034 I HA -0.276 3.894 4.170 0.000 0.000 0.240 4034 I C 2.530 178.564 176.117 -0.138 0.000 1.078 4034 I CA 1.240 62.465 61.300 -0.126 0.000 1.343 4034 I CB -0.408 37.540 38.000 -0.088 0.000 1.046 4034 I HN 0.163 nan 8.210 nan 0.000 0.405 4035 A N 0.639 123.330 122.820 -0.215 0.000 2.019 4035 A HA -0.127 4.193 4.320 0.000 0.000 0.219 4035 A C 2.444 179.933 177.584 -0.158 0.000 1.164 4035 A CA 1.656 53.590 52.037 -0.172 0.000 0.644 4035 A CB -0.760 18.096 19.000 -0.239 0.000 0.805 4035 A HN 0.451 nan 8.150 nan 0.000 0.449 4036 A N -0.657 122.020 122.820 -0.238 0.000 2.172 4036 A HA 0.115 4.435 4.320 0.000 0.000 0.216 4036 A C 1.878 179.416 177.584 -0.077 0.000 1.154 4036 A CA 1.036 52.978 52.037 -0.157 0.000 0.701 4036 A CB -0.452 18.438 19.000 -0.184 0.000 0.789 4036 A HN 0.481 nan 8.150 nan 0.000 0.465 4037 L N -1.344 119.837 121.223 -0.070 0.000 2.554 4037 L HA 0.133 4.474 4.340 0.000 0.000 0.226 4037 L C 1.069 177.927 176.870 -0.021 0.000 1.137 4037 L CA 0.040 54.855 54.840 -0.040 0.000 0.863 4037 L CB -0.188 41.847 42.059 -0.039 0.000 0.985 4037 L HN 0.422 nan 8.230 nan 0.000 0.451 4038 M N -1.461 118.131 119.600 -0.014 0.000 2.792 4038 M HA 0.267 4.748 4.480 0.000 0.000 0.294 4038 M C -0.548 175.763 176.300 0.019 0.000 1.215 4038 M CA -0.793 54.510 55.300 0.004 0.000 0.883 4038 M CB 1.115 33.722 32.600 0.012 0.000 1.620 4038 M HN -0.163 nan 8.290 nan 0.000 0.511 4039 D N 0.847 121.262 120.400 0.024 0.000 2.312 4039 D HA 0.182 4.823 4.640 0.000 0.000 0.248 4039 D C -0.455 175.874 176.300 0.048 0.000 1.086 4039 D CA -0.134 53.884 54.000 0.030 0.000 0.948 4039 D CB 0.732 41.544 40.800 0.020 0.000 1.162 4039 D HN 0.449 nan 8.370 nan 0.000 0.446 4040 K N -0.462 119.968 120.400 0.052 0.000 3.156 4040 K HA -0.132 4.188 4.320 0.000 0.000 0.266 4040 K C -2.293 174.370 176.600 0.104 0.000 0.966 4040 K CA 0.119 56.443 56.287 0.062 0.000 0.719 4040 K CB -1.272 31.252 32.500 0.040 0.000 1.333 4040 K HN 0.359 nan 8.250 nan 0.000 0.468 4041 P HA 0.113 nan 4.420 nan 0.000 0.275 4041 P C -0.326 177.196 177.300 0.370 0.000 1.276 4041 P CA -0.050 63.244 63.100 0.324 0.000 0.782 4041 P CB 1.037 32.928 31.700 0.318 0.000 0.851 4042 V N 4.864 124.879 119.914 0.167 0.000 2.448 4042 V HA 0.272 4.393 4.120 0.000 0.000 0.295 4042 V C 0.744 176.429 176.094 -0.681 0.000 1.025 4042 V CA -0.903 61.279 62.300 -0.196 0.000 0.859 4042 V CB 1.844 33.594 31.823 -0.122 0.000 0.988 4042 V HN 0.442 nan 8.190 nan 0.000 0.431 4043 K N 3.453 123.010 120.400 -1.405 0.000 2.412 4043 K HA 0.319 4.639 4.320 0.000 0.000 0.281 4043 K C 0.195 176.364 176.600 -0.718 0.000 1.027 4043 K CA -0.089 55.180 56.287 -1.697 0.000 0.989 4043 K CB 0.652 32.329 32.500 -1.372 0.000 0.935 4043 K HN 0.629 nan 8.250 nan 0.000 0.475 4044 L N 2.553 123.469 121.223 -0.513 0.000 2.435 4044 L HA 0.345 4.685 4.340 0.000 0.000 0.195 4044 L C 0.364 177.130 176.870 -0.174 0.000 1.072 4044 L CA 0.078 54.775 54.840 -0.240 0.000 0.833 4044 L CB 0.375 42.363 42.059 -0.119 0.000 1.081 4044 L HN 0.725 nan 8.230 nan 0.000 0.485 4045 A N -0.892 121.839 122.820 -0.148 0.000 2.605 4045 A HA 0.602 4.922 4.320 0.000 0.000 0.294 4045 A C -1.223 176.280 177.584 -0.135 0.000 1.062 4045 A CA -0.270 51.683 52.037 -0.140 0.000 0.682 4045 A CB 1.704 20.687 19.000 -0.028 0.000 1.278 4045 A HN -0.097 nan 8.150 nan 0.000 0.410 4046 S N 1.174 116.692 115.700 -0.304 0.000 2.779 4046 S HA 0.665 5.135 4.470 0.000 0.000 0.293 4046 S C -1.528 172.810 174.600 -0.438 0.000 1.150 4046 S CA -0.496 57.577 58.200 -0.212 0.000 1.057 4046 S CB 0.295 63.433 63.200 -0.104 0.000 1.021 4046 S HN 0.710 nan 8.310 nan 0.000 0.485 4047 H N 3.514 122.643 119.070 0.099 0.000 2.759 4047 H HA 0.540 5.097 4.556 0.000 0.000 0.354 4047 H C 0.633 176.009 175.328 0.080 0.000 1.074 4047 H CA -0.425 55.675 56.048 0.087 0.000 1.226 4047 H CB 1.584 31.409 29.762 0.105 0.000 1.648 4047 H HN 0.785 nan 8.280 nan 0.000 0.529 4048 R N 0.542 121.113 120.500 0.119 0.000 3.853 4048 R HA -0.234 4.107 4.340 0.000 0.000 0.440 4048 R C 1.038 177.245 176.300 -0.156 0.000 0.241 4048 R CA 1.971 58.050 56.100 -0.034 0.000 1.395 4048 R CB -0.759 29.505 30.300 -0.060 0.000 0.984 4048 R HN 0.770 nan 8.270 nan 0.000 0.570 4049 E N 2.004 121.943 120.200 -0.435 0.000 2.437 4049 E HA 0.041 4.391 4.350 0.000 0.000 0.189 4049 E C -0.180 176.190 176.600 -0.383 0.000 1.054 4049 E CA 0.504 56.646 56.400 -0.430 0.000 0.874 4049 E CB 0.127 29.538 29.700 -0.481 0.000 1.011 4049 E HN 0.377 nan 8.360 nan 0.000 0.474 4050 F N 1.646 121.639 119.950 0.072 0.000 2.291 4050 F HA 0.286 4.814 4.527 0.000 0.000 0.368 4050 F C 0.088 175.937 175.800 0.081 0.000 1.085 4050 F CA -0.813 57.239 58.000 0.086 0.000 1.165 4050 F CB 1.426 40.495 39.000 0.115 0.000 1.429 4050 F HN -0.287 nan 8.300 nan 0.000 0.503 4051 T N 1.866 116.560 114.554 0.233 0.000 2.767 4051 T HA 0.401 4.751 4.350 0.000 0.000 0.284 4051 T C -0.241 174.602 174.700 0.237 0.000 0.973 4051 T CA -0.745 61.471 62.100 0.193 0.000 0.996 4051 T CB 1.039 70.008 68.868 0.169 0.000 0.927 4051 T HN 0.483 nan 8.240 nan 0.000 0.456 4052 S N 2.411 118.241 115.700 0.217 0.000 2.605 4052 S HA 0.653 5.123 4.470 0.000 0.000 0.308 4052 S C -1.357 173.372 174.600 0.215 0.000 1.113 4052 S CA -1.067 57.258 58.200 0.209 0.000 1.049 4052 S CB 0.873 64.153 63.200 0.133 0.000 1.001 4052 S HN 0.637 nan 8.310 nan 0.000 0.480 4053 W N 1.725 123.038 121.300 0.021 0.000 2.639 4053 W HA 0.641 5.301 4.660 0.000 0.000 0.347 4053 W C 0.479 177.002 176.519 0.005 0.000 1.067 4053 W CA -0.912 56.438 57.345 0.009 0.000 1.218 4053 W CB 1.505 30.968 29.460 0.006 0.000 1.393 4053 W HN 0.635 nan 8.180 nan 0.000 0.557 4054 R N 1.649 122.260 120.500 0.184 0.000 2.589 4054 R HA 0.843 5.183 4.340 0.000 0.000 0.293 4054 R C -0.798 175.601 176.300 0.165 0.000 0.963 4054 R CA -0.401 55.772 56.100 0.122 0.000 0.905 4054 R CB 1.297 31.620 30.300 0.038 0.000 1.144 4054 R HN 0.614 nan 8.270 nan 0.000 0.459 4055 A N 2.672 125.563 122.820 0.117 0.000 2.564 4055 A HA 0.489 4.809 4.320 0.000 0.000 0.288 4055 A C -1.512 176.104 177.584 0.054 0.000 1.164 4055 A CA -0.695 51.403 52.037 0.102 0.000 0.712 4055 A CB 1.914 20.972 19.000 0.098 0.000 1.303 4055 A HN 0.740 nan 8.150 nan 0.000 0.418 4056 E N -0.302 119.923 120.200 0.043 0.000 2.222 4056 E HA 0.572 4.922 4.350 0.000 0.000 0.267 4056 E C -2.208 174.402 176.600 0.016 0.000 0.884 4056 E CA -0.612 55.802 56.400 0.024 0.000 0.764 4056 E CB 1.874 31.587 29.700 0.022 0.000 1.169 4056 E HN 0.449 nan 8.360 nan 0.000 0.413 4057 L N 4.563 125.790 121.223 0.007 0.000 2.446 4057 L HA 0.317 4.657 4.340 0.000 0.000 0.268 4057 L C -1.136 175.733 176.870 -0.002 0.000 0.975 4057 L CA -0.085 54.756 54.840 0.002 0.000 0.848 4057 L CB 1.317 43.374 42.059 -0.002 0.000 1.225 4057 L HN 0.631 nan 8.230 nan 0.000 0.410 4058 D N 4.235 124.634 120.400 -0.001 0.000 2.751 4058 D HA -0.196 4.445 4.640 0.000 0.000 0.233 4058 D C 1.019 177.319 176.300 -0.001 0.000 1.149 4058 D CA 1.530 55.528 54.000 -0.002 0.000 0.682 4058 D CB -0.960 39.837 40.800 -0.005 0.000 1.068 4058 D HN 1.234 nan 8.370 nan 0.000 0.429 4059 G N 0.048 108.848 108.800 0.001 0.000 2.273 4059 G HA2 -0.340 3.620 3.960 0.000 0.000 0.280 4059 G HA3 -0.340 3.620 3.960 0.000 0.000 0.280 4059 G C -0.017 174.883 174.900 -0.000 0.000 1.047 4059 G CA 0.848 45.949 45.100 0.002 0.000 0.869 4059 G HN 0.501 nan 8.290 nan 0.000 0.502 4060 K N -0.391 120.008 120.400 -0.001 0.000 2.507 4060 K HA 0.685 5.005 4.320 0.000 0.000 0.251 4060 K C 0.293 176.890 176.600 -0.004 0.000 0.943 4060 K CA -0.357 55.928 56.287 -0.004 0.000 0.794 4060 K CB 2.151 34.646 32.500 -0.008 0.000 1.188 4060 K HN 0.634 nan 8.250 nan 0.000 0.428 4061 A N 2.333 125.150 122.820 -0.004 0.000 2.540 4061 A HA 0.356 4.676 4.320 0.000 0.000 0.239 4061 A C -0.108 177.471 177.584 -0.009 0.000 1.061 4061 A CA 0.060 52.096 52.037 -0.002 0.000 0.758 4061 A CB 0.163 19.161 19.000 -0.003 0.000 0.991 4061 A HN 0.415 nan 8.150 nan 0.000 0.502 4062 V N 3.828 123.743 119.914 0.002 0.000 2.841 4062 V HA 0.404 4.524 4.120 0.000 0.000 0.310 4062 V C -0.497 175.607 176.094 0.015 0.000 1.090 4062 V CA -0.692 61.605 62.300 -0.006 0.000 0.930 4062 V CB 1.917 33.738 31.823 -0.003 0.000 1.014 4062 V HN 0.749 nan 8.190 nan 0.000 0.425 4063 I N 3.412 123.983 120.570 0.001 0.000 2.460 4063 I HA 0.514 4.684 4.170 0.000 0.000 0.298 4063 I C -0.391 175.757 176.117 0.050 0.000 0.989 4063 I CA -0.628 60.692 61.300 0.034 0.000 1.173 4063 I CB 2.021 40.028 38.000 0.011 0.000 1.338 4063 I HN 0.294 nan 8.210 nan 0.000 0.456 4064 V N 5.371 125.347 119.914 0.103 0.000 2.326 4064 V HA 0.308 4.428 4.120 0.000 0.000 0.281 4064 V C -0.342 175.837 176.094 0.142 0.000 1.015 4064 V CA -0.478 61.882 62.300 0.100 0.000 0.823 4064 V CB 1.758 33.625 31.823 0.074 0.000 1.009 4064 V HN 0.862 nan 8.190 nan 0.000 0.436 4065 C N 5.410 124.788 119.300 0.130 0.000 2.396 4065 C HA 0.725 5.186 4.460 0.000 0.000 0.321 4065 C C 0.816 175.908 174.990 0.171 0.000 1.233 4065 C CA -0.449 58.666 59.018 0.162 0.000 1.440 4065 C CB 1.038 28.867 27.740 0.148 0.000 2.110 4065 C HN 0.997 nan 8.230 nan 0.000 0.473 4066 S N 3.352 119.170 115.700 0.196 0.000 2.585 4066 S HA 0.332 4.802 4.470 0.000 0.000 0.273 4066 S C 0.888 175.669 174.600 0.300 0.000 1.339 4066 S CA 0.366 58.678 58.200 0.187 0.000 1.028 4066 S CB 1.250 64.531 63.200 0.135 0.000 0.906 4066 S HN 0.985 nan 8.310 nan 0.000 0.528 4067 T N -1.424 113.267 114.554 0.227 0.000 2.971 4067 T HA 0.540 4.891 4.350 0.000 0.000 0.252 4067 T C 1.188 176.010 174.700 0.203 0.000 1.022 4067 T CA 0.352 62.628 62.100 0.293 0.000 0.980 4067 T CB -0.793 68.172 68.868 0.161 0.000 1.044 4067 T HN 1.935 nan 8.240 nan 0.000 0.501 4068 G N 1.614 110.446 108.800 0.053 0.000 2.741 4068 G HA2 -0.117 3.843 3.960 0.000 0.000 0.222 4068 G HA3 -0.117 3.843 3.960 0.000 0.000 0.222 4068 G C -0.646 174.249 174.900 -0.009 0.000 1.364 4068 G CA -0.482 44.592 45.100 -0.044 0.000 0.866 4068 G HN 0.640 nan 8.290 nan 0.000 0.555 4069 I N 2.276 122.826 120.570 -0.033 0.000 2.342 4069 I HA 0.547 4.718 4.170 0.000 0.000 0.291 4069 I C 1.059 177.174 176.117 -0.003 0.000 1.010 4069 I CA 1.037 62.326 61.300 -0.017 0.000 1.308 4069 I CB 0.667 38.644 38.000 -0.038 0.000 1.400 4069 I HN 2.005 nan 8.210 nan 0.000 0.488 4070 G N 3.932 112.738 108.800 0.011 0.000 2.619 4070 G HA2 -0.072 3.889 3.960 0.000 0.000 0.686 4070 G HA3 -0.072 3.889 3.960 0.000 0.000 0.686 4070 G C 0.504 175.414 174.900 0.016 0.000 1.256 4070 G CA -0.468 44.639 45.100 0.012 0.000 0.826 4070 G HN 0.889 nan 8.290 nan 0.000 0.619 4071 G N 0.385 109.191 108.800 0.011 0.000 2.459 4071 G HA2 0.058 4.019 3.960 0.000 0.000 0.217 4071 G HA3 0.058 4.019 3.960 0.000 0.000 0.217 4071 G C 0.190 175.097 174.900 0.012 0.000 1.183 4071 G CA 2.194 47.299 45.100 0.007 0.000 0.776 4071 G HN 0.714 nan 8.290 nan 0.000 0.552 4072 P HA -0.172 nan 4.420 nan 0.000 0.216 4072 P C 2.312 179.639 177.300 0.045 0.000 1.167 4072 P CA 2.175 65.274 63.100 -0.002 0.000 0.914 4072 P CB -0.217 31.476 31.700 -0.012 0.000 0.793 4073 S N -2.041 113.703 115.700 0.074 0.000 2.382 4073 S HA -0.136 4.334 4.470 0.000 0.000 0.228 4073 S C 1.903 176.652 174.600 0.247 0.000 1.027 4073 S CA 1.944 60.258 58.200 0.190 0.000 0.991 4073 S CB -1.229 62.025 63.200 0.089 0.000 0.823 4073 S HN 0.167 nan 8.310 nan 0.000 0.469 4074 T N 1.571 116.196 114.554 0.118 0.000 2.737 4074 T HA -0.098 4.253 4.350 0.000 0.000 0.265 4074 T C 2.231 176.920 174.700 -0.018 0.000 1.038 4074 T CA 1.641 63.776 62.100 0.059 0.000 1.144 4074 T CB -0.578 68.297 68.868 0.010 0.000 0.866 4074 T HN 0.716 nan 8.240 nan 0.000 0.434 4075 S N 1.530 117.226 115.700 -0.007 0.000 2.383 4075 S HA -0.086 4.385 4.470 0.000 0.000 0.229 4075 S C 2.072 176.666 174.600 -0.010 0.000 1.030 4075 S CA 0.959 59.159 58.200 0.000 0.000 1.002 4075 S CB -0.846 62.443 63.200 0.147 0.000 0.829 4075 S HN 0.504 nan 8.310 nan 0.000 0.467 4076 I N 2.379 122.930 120.570 -0.031 0.000 2.142 4076 I HA -0.155 4.015 4.170 0.000 0.000 0.240 4076 I C 3.170 179.150 176.117 -0.227 0.000 1.078 4076 I CA 1.211 62.437 61.300 -0.123 0.000 1.343 4076 I CB -0.864 37.005 38.000 -0.219 0.000 1.046 4076 I HN 0.441 nan 8.210 nan 0.000 0.405 4077 A N 0.607 123.233 122.820 -0.324 0.000 1.865 4077 A HA -0.189 4.131 4.320 0.000 0.000 0.217 4077 A C 2.425 179.943 177.584 -0.109 0.000 1.191 4077 A CA 2.210 54.054 52.037 -0.321 0.000 0.623 4077 A CB -1.135 17.767 19.000 -0.163 0.000 0.826 4077 A HN 0.254 nan 8.150 nan 0.000 0.444 4078 V N 0.194 120.019 119.914 -0.149 0.000 2.287 4078 V HA -0.268 3.852 4.120 0.000 0.000 0.248 4078 V C 2.635 178.633 176.094 -0.161 0.000 1.053 4078 V CA 2.518 64.622 62.300 -0.326 0.000 1.027 4078 V CB -0.880 30.551 31.823 -0.652 0.000 0.646 4078 V HN 0.759 nan 8.190 nan 0.000 0.447 4079 E N 0.809 120.949 120.200 -0.101 0.000 2.085 4079 E HA -0.243 4.107 4.350 0.000 0.000 0.194 4079 E C 2.085 178.712 176.600 0.045 0.000 0.994 4079 E CA 1.984 58.383 56.400 -0.001 0.000 0.801 4079 E CB -0.268 29.461 29.700 0.049 0.000 0.743 4079 E HN 0.697 nan 8.360 nan 0.000 0.453 4080 E N -0.317 119.898 120.200 0.025 0.000 2.158 4080 E HA -0.034 4.316 4.350 0.000 0.000 0.191 4080 E C 2.247 178.889 176.600 0.069 0.000 0.982 4080 E CA 0.601 57.027 56.400 0.043 0.000 0.823 4080 E CB -0.044 29.665 29.700 0.015 0.000 0.766 4080 E HN 0.299 nan 8.360 nan 0.000 0.468 4081 L N 0.736 122.024 121.223 0.110 0.000 2.056 4081 L HA -0.153 4.187 4.340 0.000 0.000 0.207 4081 L C 2.597 179.589 176.870 0.204 0.000 1.078 4081 L CA 0.949 55.892 54.840 0.171 0.000 0.749 4081 L CB -0.430 41.810 42.059 0.301 0.000 0.901 4081 L HN 0.139 nan 8.230 nan 0.000 0.433 4082 A N -0.540 122.463 122.820 0.306 0.000 1.902 4082 A HA -0.258 4.062 4.320 0.000 0.000 0.217 4082 A C 2.194 179.856 177.584 0.129 0.000 1.181 4082 A CA 1.526 53.720 52.037 0.262 0.000 0.623 4082 A CB -0.461 18.673 19.000 0.224 0.000 0.818 4082 A HN 0.471 nan 8.150 nan 0.000 0.443 4083 Q N -0.702 119.157 119.800 0.099 0.000 2.170 4083 Q HA -0.028 4.312 4.340 0.000 0.000 0.203 4083 Q C 1.552 177.584 176.000 0.054 0.000 0.976 4083 Q CA 1.082 56.926 55.803 0.068 0.000 0.858 4083 Q CB -0.218 28.556 28.738 0.061 0.000 0.907 4083 Q HN 0.672 nan 8.270 nan 0.000 0.433 4084 L N -1.365 119.891 121.223 0.054 0.000 2.591 4084 L HA 0.148 4.488 4.340 0.000 0.000 0.228 4084 L C 1.127 178.010 176.870 0.021 0.000 1.133 4084 L CA 0.520 55.381 54.840 0.035 0.000 0.880 4084 L CB 0.302 42.380 42.059 0.032 0.000 1.033 4084 L HN 0.423 nan 8.230 nan 0.000 0.450 4085 G N -0.369 108.446 108.800 0.026 0.000 2.296 4085 G HA2 -0.176 3.785 3.960 0.000 0.000 0.188 4085 G HA3 -0.176 3.785 3.960 0.000 0.000 0.188 4085 G C 0.260 175.147 174.900 -0.021 0.000 1.000 4085 G CA -0.697 44.407 45.100 0.007 0.000 0.672 4085 G HN 0.047 nan 8.290 nan 0.000 0.483 4086 I N 1.619 122.159 120.570 -0.050 0.000 2.598 4086 I HA 0.261 4.432 4.170 0.000 0.000 0.284 4086 I C 1.301 177.331 176.117 -0.145 0.000 1.140 4086 I CA 0.392 61.572 61.300 -0.200 0.000 1.420 4086 I CB 0.830 38.575 38.000 -0.425 0.000 1.387 4086 I HN 0.111 nan 8.210 nan 0.000 0.553 4087 R N 3.153 123.552 120.500 -0.168 0.000 2.419 4087 R HA 0.190 4.530 4.340 0.000 0.000 0.235 4087 R C -0.167 176.117 176.300 -0.026 0.000 0.899 4087 R CA 0.223 56.312 56.100 -0.018 0.000 1.048 4087 R CB 0.486 30.789 30.300 0.005 0.000 1.182 4087 R HN 0.543 nan 8.270 nan 0.000 0.544 4088 T N 1.189 115.598 114.554 -0.242 0.000 2.841 4088 T HA 0.578 4.928 4.350 0.000 0.000 0.285 4088 T C -0.912 173.566 174.700 -0.371 0.000 0.991 4088 T CA -0.314 61.697 62.100 -0.149 0.000 0.966 4088 T CB 1.262 70.077 68.868 -0.089 0.000 0.962 4088 T HN -0.169 nan 8.240 nan 0.000 0.438 4089 F N 2.432 122.378 119.950 -0.006 0.000 2.493 4089 F HA 0.582 5.109 4.527 0.001 0.000 0.329 4089 F C -0.265 175.531 175.800 -0.008 0.000 1.126 4089 F CA -1.108 56.888 58.000 -0.007 0.000 0.937 4089 F CB 1.464 40.455 39.000 -0.016 0.000 1.146 4089 F HN 0.238 nan 8.300 nan 0.000 0.442 4090 L N 4.329 125.633 121.223 0.135 0.000 2.345 4090 L HA 0.499 4.839 4.340 0.000 0.000 0.274 4090 L C -0.072 176.847 176.870 0.081 0.000 0.999 4090 L CA -0.633 54.255 54.840 0.080 0.000 0.849 4090 L CB 1.673 43.750 42.059 0.030 0.000 1.220 4090 L HN 0.596 nan 8.230 nan 0.000 0.422 4091 R N 4.062 124.605 120.500 0.072 0.000 2.390 4091 R HA 0.465 4.805 4.340 0.000 0.000 0.291 4091 R C -0.908 175.414 176.300 0.036 0.000 1.070 4091 R CA -0.370 55.764 56.100 0.057 0.000 1.014 4091 R CB 1.187 31.513 30.300 0.044 0.000 1.007 4091 R HN 0.494 nan 8.270 nan 0.000 0.466 4092 I N 4.617 125.206 120.570 0.033 0.000 2.476 4092 I HA 0.440 4.610 4.170 0.000 0.000 0.281 4092 I C -0.824 175.306 176.117 0.021 0.000 1.040 4092 I CA -0.032 61.281 61.300 0.022 0.000 1.094 4092 I CB 1.062 39.072 38.000 0.015 0.000 1.219 4092 I HN 0.869 nan 8.210 nan 0.000 0.450 4093 G N 4.722 113.535 108.800 0.021 0.000 3.140 4093 G HA2 0.694 4.654 3.960 0.000 0.000 0.271 4093 G HA3 0.694 4.654 3.960 0.000 0.000 0.271 4093 G C -0.761 174.153 174.900 0.022 0.000 1.370 4093 G CA -0.386 44.727 45.100 0.021 0.000 1.014 4093 G HN 0.525 nan 8.290 nan 0.000 0.541 4094 T N -2.842 111.729 114.554 0.028 0.000 2.925 4094 T HA 0.695 5.045 4.350 0.000 0.000 0.285 4094 T C -0.341 174.387 174.700 0.046 0.000 1.021 4094 T CA -0.574 61.547 62.100 0.034 0.000 1.042 4094 T CB 1.958 70.847 68.868 0.034 0.000 1.037 4094 T HN 0.685 nan 8.240 nan 0.000 0.481 4095 T N 0.072 114.652 114.554 0.043 0.000 2.883 4095 T HA 0.691 5.041 4.350 0.000 0.000 0.301 4095 T C -0.363 174.360 174.700 0.038 0.000 1.158 4095 T CA -0.522 61.603 62.100 0.041 0.000 1.007 4095 T CB 1.362 70.244 68.868 0.025 0.000 1.186 4095 T HN 1.115 nan 8.240 nan 0.000 0.499 4096 G N 1.663 110.484 108.800 0.036 0.000 2.384 4096 G HA2 0.631 4.592 3.960 0.000 0.000 0.316 4096 G HA3 0.631 4.592 3.960 0.000 0.000 0.316 4096 G C -0.106 174.800 174.900 0.011 0.000 1.160 4096 G CA -0.362 44.755 45.100 0.029 0.000 0.936 4096 G HN 0.963 nan 8.290 nan 0.000 0.455 4097 A N 2.397 125.209 122.820 -0.014 0.000 2.401 4097 A HA 0.500 4.820 4.320 0.000 0.000 0.259 4097 A C 1.140 178.684 177.584 -0.067 0.000 1.103 4097 A CA -0.399 51.601 52.037 -0.061 0.000 0.789 4097 A CB 0.185 19.142 19.000 -0.073 0.000 1.035 4097 A HN 1.283 nan 8.150 nan 0.000 0.491 4098 I N -1.533 118.966 120.570 -0.117 0.000 4.082 4098 I HA 0.220 4.390 4.170 0.000 0.000 0.337 4098 I C 0.100 176.167 176.117 -0.082 0.000 1.352 4098 I CA -0.218 61.025 61.300 -0.095 0.000 1.097 4098 I CB 0.148 38.039 38.000 -0.181 0.000 1.048 4098 I HN 0.392 nan 8.210 nan 0.000 0.393 4099 Q N 1.831 121.549 119.800 -0.137 0.000 2.235 4099 Q HA 0.373 4.713 4.340 0.000 0.000 0.256 4099 Q C -1.891 174.017 176.000 -0.153 0.000 0.951 4099 Q CA -1.805 53.907 55.803 -0.151 0.000 0.890 4099 Q CB 1.876 30.438 28.738 -0.292 0.000 1.279 4099 Q HN -0.017 nan 8.270 nan 0.000 0.444 4100 P HA -0.159 nan 4.420 nan 0.000 0.217 4100 P C 1.027 178.314 177.300 -0.022 0.000 1.151 4100 P CA 1.439 64.530 63.100 -0.015 0.000 0.828 4100 P CB 0.057 31.781 31.700 0.039 0.000 0.788 4101 H N -0.928 118.105 119.070 -0.062 0.000 2.470 4101 H HA 0.091 4.647 4.556 0.000 0.000 0.289 4101 H C 0.753 176.034 175.328 -0.078 0.000 1.033 4101 H CA 0.136 56.146 56.048 -0.064 0.000 1.331 4101 H CB -1.032 28.683 29.762 -0.078 0.000 1.414 4101 H HN 0.101 nan 8.280 nan 0.000 0.545 4102 I N 2.982 123.183 120.570 -0.616 0.000 2.588 4102 I HA -0.043 4.127 4.170 0.000 0.000 0.283 4102 I C 0.115 176.179 176.117 -0.088 0.000 1.119 4102 I CA 0.083 61.166 61.300 -0.360 0.000 1.419 4102 I CB 0.343 38.081 38.000 -0.436 0.000 1.394 4102 I HN 0.142 nan 8.210 nan 0.000 0.562 4103 N N 3.869 122.591 118.700 0.036 0.000 2.404 4103 N HA 0.370 5.111 4.740 0.000 0.000 0.297 4103 N C -0.900 174.632 175.510 0.038 0.000 1.163 4103 N CA -0.668 52.406 53.050 0.039 0.000 0.864 4103 N CB 1.978 40.504 38.487 0.065 0.000 1.247 4103 N HN 0.171 nan 8.380 nan 0.000 0.510 4104 V N 1.276 121.206 119.914 0.027 0.000 2.493 4104 V HA 0.287 4.408 4.120 0.000 0.000 0.292 4104 V C 1.462 177.573 176.094 0.028 0.000 1.016 4104 V CA 1.487 63.801 62.300 0.024 0.000 1.097 4104 V CB -0.024 31.810 31.823 0.018 0.000 0.947 4104 V HN 1.030 nan 8.190 nan 0.000 0.479 4105 G N 4.154 112.972 108.800 0.029 0.000 2.259 4105 G HA2 -0.180 3.781 3.960 0.000 0.000 0.217 4105 G HA3 -0.180 3.781 3.960 0.000 0.000 0.217 4105 G C -0.024 174.918 174.900 0.070 0.000 1.001 4105 G CA -0.093 45.025 45.100 0.030 0.000 0.627 4105 G HN 0.646 nan 8.290 nan 0.000 0.501 4106 D N 0.636 121.080 120.400 0.074 0.000 2.423 4106 D HA 0.429 5.070 4.640 0.000 0.000 0.238 4106 D C 0.572 176.910 176.300 0.064 0.000 1.142 4106 D CA 0.160 54.206 54.000 0.076 0.000 0.884 4106 D CB 1.632 42.511 40.800 0.130 0.000 1.199 4106 D HN 0.204 nan 8.370 nan 0.000 0.438 4107 V N 3.200 123.130 119.914 0.026 0.000 2.439 4107 V HA 0.276 4.396 4.120 0.000 0.000 0.282 4107 V C 0.180 176.282 176.094 0.012 0.000 1.039 4107 V CA -0.597 61.714 62.300 0.018 0.000 0.913 4107 V CB 0.991 32.813 31.823 -0.002 0.000 0.983 4107 V HN 0.286 nan 8.190 nan 0.000 0.460 4108 L N 5.859 127.101 121.223 0.032 0.000 2.305 4108 L HA 0.568 4.908 4.340 0.000 0.000 0.284 4108 L C -0.617 176.264 176.870 0.019 0.000 1.013 4108 L CA -0.688 54.178 54.840 0.043 0.000 0.819 4108 L CB 1.881 43.968 42.059 0.046 0.000 1.227 4108 L HN 0.329 nan 8.230 nan 0.000 0.417 4109 V N 2.119 122.042 119.914 0.016 0.000 2.394 4109 V HA 0.298 4.419 4.120 0.000 0.000 0.282 4109 V C 0.349 176.446 176.094 0.005 0.000 1.031 4109 V CA -0.363 61.938 62.300 0.002 0.000 0.881 4109 V CB 1.704 33.520 31.823 -0.013 0.000 0.982 4109 V HN 0.713 nan 8.190 nan 0.000 0.451 4110 T N 3.566 118.120 114.554 -0.001 0.000 2.743 4110 T HA 0.219 4.569 4.350 0.000 0.000 0.293 4110 T C 1.318 176.017 174.700 -0.001 0.000 0.945 4110 T CA 0.141 62.239 62.100 -0.003 0.000 1.030 4110 T CB 1.297 70.159 68.868 -0.009 0.000 0.912 4110 T HN 0.959 nan 8.240 nan 0.000 0.483 4111 T N 0.972 115.528 114.554 0.003 0.000 2.852 4111 T HA 0.456 4.806 4.350 0.000 0.000 0.256 4111 T C 0.784 175.489 174.700 0.009 0.000 1.038 4111 T CA 0.340 62.447 62.100 0.013 0.000 1.141 4111 T CB 0.114 68.995 68.868 0.022 0.000 0.869 4111 T HN 0.756 nan 8.240 nan 0.000 0.439 4112 A N -0.049 122.769 122.820 -0.005 0.000 2.599 4112 A HA 0.707 5.027 4.320 0.000 0.000 0.290 4112 A C -1.121 176.443 177.584 -0.032 0.000 1.101 4112 A CA -0.859 51.171 52.037 -0.013 0.000 0.674 4112 A CB 1.371 20.362 19.000 -0.015 0.000 1.277 4112 A HN 0.255 nan 8.150 nan 0.000 0.419 4113 S N -0.431 115.247 115.700 -0.037 0.000 2.526 4113 S HA 0.570 5.041 4.470 0.000 0.000 0.293 4113 S C -0.550 173.997 174.600 -0.088 0.000 1.092 4113 S CA -0.551 57.609 58.200 -0.067 0.000 0.980 4113 S CB 1.715 64.886 63.200 -0.049 0.000 1.048 4113 S HN 0.876 nan 8.310 nan 0.000 0.483 4114 V N 3.304 123.113 119.914 -0.175 0.000 2.446 4114 V HA 0.144 4.264 4.120 0.000 0.000 0.276 4114 V C 0.652 176.664 176.094 -0.137 0.000 1.030 4114 V CA 0.113 62.270 62.300 -0.237 0.000 1.033 4114 V CB -0.245 31.215 31.823 -0.605 0.000 0.993 4114 V HN 0.691 nan 8.190 nan 0.000 0.477 4115 R N 5.380 125.855 120.500 -0.041 0.000 3.268 4115 R HA 0.289 4.630 4.340 0.000 0.000 0.217 4115 R C 0.117 176.461 176.300 0.073 0.000 1.568 4115 R CA -0.120 55.996 56.100 0.027 0.000 1.322 4115 R CB -0.031 30.307 30.300 0.064 0.000 1.280 4115 R HN 0.674 nan 8.270 nan 0.000 0.667 4116 L N 1.971 123.245 121.223 0.084 0.000 2.805 4116 L HA 0.112 4.452 4.340 0.000 0.000 0.237 4116 L C 0.435 177.406 176.870 0.169 0.000 1.252 4116 L CA -0.149 54.813 54.840 0.204 0.000 1.064 4116 L CB -0.758 41.484 42.059 0.305 0.000 1.361 4116 L HN 0.503 nan 8.230 nan 0.000 0.474 4117 D N -1.429 119.043 120.400 0.119 0.000 2.553 4117 D HA 0.325 4.966 4.640 0.000 0.000 0.249 4117 D C 0.613 176.978 176.300 0.108 0.000 1.062 4117 D CA -0.287 53.770 54.000 0.095 0.000 1.085 4117 D CB 2.071 42.908 40.800 0.063 0.000 1.350 4117 D HN -0.065 nan 8.370 nan 0.000 0.575 4118 G N -1.090 107.763 108.800 0.089 0.000 2.747 4118 G HA2 0.241 4.202 3.960 0.000 0.000 0.202 4118 G HA3 0.241 4.202 3.960 0.000 0.000 0.202 4118 G C 1.292 176.251 174.900 0.099 0.000 1.090 4118 G CA 0.633 45.799 45.100 0.111 0.000 0.779 4118 G HN 0.614 nan 8.290 nan 0.000 0.535 4119 A N 1.807 124.622 122.820 -0.009 0.000 1.972 4119 A HA -0.022 4.298 4.320 0.000 0.000 0.219 4119 A C 2.665 180.374 177.584 0.209 0.000 1.169 4119 A CA 2.489 54.476 52.037 -0.082 0.000 0.635 4119 A CB -0.677 18.309 19.000 -0.025 0.000 0.810 4119 A HN 0.764 nan 8.150 nan 0.000 0.446 4120 S N 0.138 115.966 115.700 0.214 0.000 2.399 4120 S HA -0.093 4.378 4.470 0.000 0.000 0.231 4120 S C 1.710 176.485 174.600 0.292 0.000 1.022 4120 S CA 1.422 59.781 58.200 0.265 0.000 0.983 4120 S CB -0.719 62.571 63.200 0.150 0.000 0.803 4120 S HN 0.461 nan 8.310 nan 0.000 0.480 4121 L N 0.774 122.150 121.223 0.255 0.000 2.456 4121 L HA 0.026 4.367 4.340 0.000 0.000 0.224 4121 L C 2.048 179.000 176.870 0.137 0.000 1.148 4121 L CA 0.929 55.883 54.840 0.190 0.000 0.825 4121 L CB -0.649 41.508 42.059 0.164 0.000 0.937 4121 L HN 0.504 nan 8.230 nan 0.000 0.450 4122 H N -1.779 117.261 119.070 -0.051 0.000 2.533 4122 H HA 0.057 4.614 4.556 0.000 0.000 0.271 4122 H C 0.997 175.973 175.328 -0.588 0.000 1.000 4122 H CA 0.411 56.277 56.048 -0.303 0.000 1.149 4122 H CB 0.447 29.973 29.762 -0.394 0.000 1.375 4122 H HN 0.352 nan 8.280 nan 0.000 0.582 4123 F N -0.480 119.488 119.950 0.030 0.000 2.671 4123 F HA 0.419 4.947 4.527 0.001 0.000 0.303 4123 F C 0.792 176.498 175.800 -0.158 0.000 0.935 4123 F CA -0.067 57.894 58.000 -0.065 0.000 1.136 4123 F CB 1.014 39.967 39.000 -0.078 0.000 0.929 4123 F HN -0.022 nan 8.300 nan 0.000 0.659 4124 A N 0.386 123.228 122.820 0.036 0.000 2.594 4124 A HA 0.679 4.999 4.320 0.000 0.000 0.295 4124 A C -2.755 174.846 177.584 0.028 0.000 1.071 4124 A CA -1.477 50.503 52.037 -0.096 0.000 0.685 4124 A CB 0.683 19.445 19.000 -0.398 0.000 1.285 4124 A HN -0.166 nan 8.150 nan 0.000 0.405 4125 P HA 0.133 nan 4.420 nan 0.000 0.273 4125 P C 0.766 178.146 177.300 0.132 0.000 1.250 4125 P CA -0.244 62.903 63.100 0.079 0.000 0.793 4125 P CB 0.431 32.175 31.700 0.073 0.000 1.011 4126 M N 0.773 120.439 119.600 0.109 0.000 2.279 4126 M HA -0.155 4.326 4.480 0.000 0.000 0.264 4126 M C 1.474 177.849 176.300 0.125 0.000 1.062 4126 M CA 1.878 57.248 55.300 0.116 0.000 1.099 4126 M CB -1.207 31.446 32.600 0.089 0.000 1.394 4126 M HN 0.277 nan 8.290 nan 0.000 0.426 4127 E N -0.680 119.593 120.200 0.122 0.000 2.153 4127 E HA -0.107 4.244 4.350 0.000 0.000 0.194 4127 E C 0.363 177.036 176.600 0.123 0.000 0.988 4127 E CA 0.624 57.086 56.400 0.104 0.000 0.811 4127 E CB -0.542 29.212 29.700 0.090 0.000 0.746 4127 E HN 0.479 nan 8.360 nan 0.000 0.466 4128 F N 2.878 122.849 119.950 0.034 0.000 2.578 4128 F HA 0.090 4.617 4.527 0.000 0.000 0.376 4128 F C -1.929 173.889 175.800 0.030 0.000 1.085 4128 F CA -2.453 55.567 58.000 0.034 0.000 1.260 4128 F CB 0.490 39.516 39.000 0.042 0.000 1.095 4128 F HN -0.092 nan 8.300 nan 0.000 0.573 4129 P HA 0.181 nan 4.420 nan 0.000 0.279 4129 P C -1.343 175.957 177.300 -0.000 0.000 1.239 4129 P CA -0.517 62.503 63.100 -0.134 0.000 0.789 4129 P CB 1.329 32.894 31.700 -0.226 0.000 0.933 4130 A N 3.530 126.382 122.820 0.054 0.000 3.056 4130 A HA 0.282 4.602 4.320 0.000 0.000 0.274 4130 A C 0.205 177.805 177.584 0.026 0.000 1.661 4130 A CA -0.377 51.704 52.037 0.073 0.000 1.363 4130 A CB -0.956 18.075 19.000 0.050 0.000 1.139 4130 A HN 0.450 nan 8.150 nan 0.000 0.598 4131 V N 1.855 121.780 119.914 0.019 0.000 2.481 4131 V HA 0.682 4.802 4.120 0.000 0.000 0.286 4131 V C 0.652 176.767 176.094 0.034 0.000 1.042 4131 V CA -0.201 62.103 62.300 0.007 0.000 0.928 4131 V CB 1.307 33.113 31.823 -0.027 0.000 0.986 4131 V HN 0.897 nan 8.190 nan 0.000 0.462 4132 A N 4.376 127.215 122.820 0.033 0.000 2.332 4132 A HA 0.385 4.705 4.320 0.000 0.000 0.258 4132 A C 0.096 177.718 177.584 0.064 0.000 1.087 4132 A CA -0.212 51.850 52.037 0.040 0.000 0.802 4132 A CB 0.165 19.180 19.000 0.025 0.000 1.042 4132 A HN 1.038 nan 8.150 nan 0.000 0.489 4133 D N 0.100 120.541 120.400 0.069 0.000 2.455 4133 D HA 0.051 4.692 4.640 0.000 0.000 0.241 4133 D C 0.674 177.039 176.300 0.107 0.000 1.138 4133 D CA 0.111 54.169 54.000 0.096 0.000 0.877 4133 D CB 0.135 40.984 40.800 0.082 0.000 1.187 4133 D HN 0.388 nan 8.370 nan 0.000 0.451 4134 F N 3.939 123.896 119.950 0.012 0.000 2.134 4134 F HA -0.099 4.428 4.527 0.000 0.000 0.299 4134 F C 2.011 177.816 175.800 0.007 0.000 1.097 4134 F CA 1.780 59.784 58.000 0.006 0.000 1.264 4134 F CB -0.341 38.661 39.000 0.004 0.000 1.001 4134 F HN 0.477 nan 8.300 nan 0.000 0.479 4135 A N -0.694 122.118 122.820 -0.014 0.000 1.930 4135 A HA -0.163 4.157 4.320 0.000 0.000 0.217 4135 A C 2.348 179.854 177.584 -0.131 0.000 1.175 4135 A CA 1.591 53.563 52.037 -0.107 0.000 0.627 4135 A CB -1.632 17.387 19.000 0.031 0.000 0.815 4135 A HN 0.562 nan 8.150 nan 0.000 0.443 4136 C N -0.986 118.275 119.300 -0.065 0.000 2.432 4136 C HA -0.089 4.371 4.460 0.000 0.000 0.277 4136 C C 3.071 178.009 174.990 -0.087 0.000 1.249 4136 C CA 1.635 60.623 59.018 -0.050 0.000 1.725 4136 C CB -1.453 26.287 27.740 -0.001 0.000 2.028 4136 C HN 0.650 nan 8.230 nan 0.000 0.477 4137 T N 0.325 114.810 114.554 -0.115 0.000 2.746 4137 T HA -0.164 4.187 4.350 0.000 0.000 0.267 4137 T C 1.781 176.369 174.700 -0.187 0.000 1.039 4137 T CA 2.114 64.138 62.100 -0.126 0.000 1.142 4137 T CB -0.584 68.219 68.868 -0.108 0.000 0.866 4137 T HN 0.586 nan 8.240 nan 0.000 0.444 4138 T N 2.113 116.472 114.554 -0.325 0.000 2.665 4138 T HA -0.115 4.236 4.350 0.000 0.000 0.268 4138 T C 2.382 176.972 174.700 -0.184 0.000 1.035 4138 T CA 1.389 63.290 62.100 -0.332 0.000 1.151 4138 T CB -0.611 67.949 68.868 -0.513 0.000 0.862 4138 T HN 0.457 nan 8.240 nan 0.000 0.438 4139 A N 0.670 123.401 122.820 -0.148 0.000 1.969 4139 A HA 0.062 4.382 4.320 0.000 0.000 0.218 4139 A C 2.294 179.833 177.584 -0.076 0.000 1.169 4139 A CA 1.082 53.063 52.037 -0.093 0.000 0.635 4139 A CB -0.718 18.239 19.000 -0.072 0.000 0.810 4139 A HN 0.478 nan 8.150 nan 0.000 0.445 4140 L N -0.753 120.424 121.223 -0.077 0.000 2.056 4140 L HA -0.128 4.212 4.340 0.000 0.000 0.207 4140 L C 2.504 179.336 176.870 -0.063 0.000 1.078 4140 L CA 0.933 55.737 54.840 -0.059 0.000 0.749 4140 L CB -0.432 41.598 42.059 -0.048 0.000 0.901 4140 L HN 0.237 nan 8.230 nan 0.000 0.433 4141 V N -0.625 119.244 119.914 -0.076 0.000 2.343 4141 V HA -0.219 3.901 4.120 0.000 0.000 0.247 4141 V C 2.517 178.569 176.094 -0.069 0.000 1.051 4141 V CA 1.509 63.766 62.300 -0.071 0.000 1.036 4141 V CB -0.458 31.320 31.823 -0.074 0.000 0.654 4141 V HN 0.405 nan 8.190 nan 0.000 0.451 4142 E N 0.444 120.600 120.200 -0.073 0.000 2.072 4142 E HA -0.148 4.202 4.350 0.000 0.000 0.191 4142 E C 2.389 178.954 176.600 -0.058 0.000 0.985 4142 E CA 1.482 57.845 56.400 -0.063 0.000 0.801 4142 E CB -0.501 29.161 29.700 -0.063 0.000 0.750 4142 E HN 0.558 nan 8.360 nan 0.000 0.452 4143 A N 1.449 124.235 122.820 -0.057 0.000 1.972 4143 A HA -0.093 4.228 4.320 0.000 0.000 0.219 4143 A C 2.406 179.951 177.584 -0.065 0.000 1.169 4143 A CA 1.912 53.917 52.037 -0.053 0.000 0.635 4143 A CB -0.493 18.480 19.000 -0.045 0.000 0.810 4143 A HN 0.259 nan 8.150 nan 0.000 0.446 4144 A N 0.099 122.876 122.820 -0.072 0.000 1.902 4144 A HA -0.172 4.148 4.320 0.000 0.000 0.217 4144 A C 2.113 179.635 177.584 -0.104 0.000 1.181 4144 A CA 1.733 53.715 52.037 -0.092 0.000 0.623 4144 A CB -0.395 18.552 19.000 -0.087 0.000 0.818 4144 A HN 0.540 nan 8.150 nan 0.000 0.443 4145 K N -0.496 119.854 120.400 -0.082 0.000 2.057 4145 K HA -0.090 4.230 4.320 0.000 0.000 0.206 4145 K C 2.403 178.959 176.600 -0.073 0.000 1.050 4145 K CA 1.299 57.541 56.287 -0.075 0.000 0.935 4145 K CB -0.365 32.100 32.500 -0.057 0.000 0.715 4145 K HN 0.408 nan 8.250 nan 0.000 0.439 4146 S N 1.090 116.751 115.700 -0.065 0.000 2.353 4146 S HA -0.099 4.371 4.470 0.000 0.000 0.222 4146 S C 1.930 176.491 174.600 -0.065 0.000 1.035 4146 S CA 0.953 59.120 58.200 -0.055 0.000 1.025 4146 S CB -0.058 63.114 63.200 -0.045 0.000 0.902 4146 S HN 0.125 nan 8.310 nan 0.000 0.440 4147 I N 1.046 121.565 120.570 -0.085 0.000 2.546 4147 I HA 0.079 4.249 4.170 0.000 0.000 0.255 4147 I C 1.476 177.488 176.117 -0.176 0.000 1.163 4147 I CA 1.083 62.318 61.300 -0.108 0.000 1.457 4147 I CB -2.019 35.915 38.000 -0.110 0.000 1.092 4147 I HN 0.491 nan 8.210 nan 0.000 0.434 4148 G N 2.030 110.722 108.800 -0.180 0.000 2.694 4148 G HA2 0.089 4.049 3.960 0.000 0.000 0.247 4148 G HA3 0.089 4.049 3.960 0.000 0.000 0.247 4148 G C -0.131 174.587 174.900 -0.303 0.000 0.989 4148 G CA 0.145 45.136 45.100 -0.181 0.000 1.252 4148 G HN 0.809 nan 8.290 nan 0.000 0.483 4149 A N 1.708 124.358 122.820 -0.283 0.000 2.594 4149 A HA 0.915 5.235 4.320 0.000 0.000 0.295 4149 A C 0.216 177.698 177.584 -0.171 0.000 1.071 4149 A CA 0.086 51.941 52.037 -0.303 0.000 0.685 4149 A CB 1.109 19.822 19.000 -0.478 0.000 1.285 4149 A HN 1.411 nan 8.150 nan 0.000 0.405 4150 T N 2.905 117.390 114.554 -0.115 0.000 2.771 4150 T HA 0.384 4.734 4.350 0.000 0.000 0.277 4150 T C 0.124 174.649 174.700 -0.292 0.000 0.919 4150 T CA 0.784 62.784 62.100 -0.167 0.000 1.163 4150 T CB -0.681 68.139 68.868 -0.081 0.000 0.876 4150 T HN 0.588 nan 8.240 nan 0.000 0.545 4151 T N 4.736 119.077 114.554 -0.354 0.000 2.823 4151 T HA 0.391 4.741 4.350 0.000 0.000 0.279 4151 T C -0.361 174.055 174.700 -0.473 0.000 0.998 4151 T CA -0.838 61.070 62.100 -0.320 0.000 0.994 4151 T CB 0.892 69.663 68.868 -0.161 0.000 0.960 4151 T HN 0.529 nan 8.240 nan 0.000 0.448 4152 H N 0.943 120.021 119.070 0.014 0.000 2.538 4152 H HA 0.568 5.124 4.556 0.000 0.000 0.353 4152 H C -0.921 174.414 175.328 0.012 0.000 1.109 4152 H CA -0.618 55.447 56.048 0.029 0.000 1.192 4152 H CB 1.759 31.548 29.762 0.044 0.000 1.555 4152 H HN 0.286 nan 8.280 nan 0.000 0.518 4153 V N 1.994 121.984 119.914 0.128 0.000 2.448 4153 V HA 0.740 4.860 4.120 0.000 0.000 0.295 4153 V C 0.584 176.716 176.094 0.063 0.000 1.025 4153 V CA -0.167 62.172 62.300 0.064 0.000 0.859 4153 V CB 1.370 33.212 31.823 0.033 0.000 0.988 4153 V HN 1.105 nan 8.190 nan 0.000 0.431 4154 G N 3.027 111.850 108.800 0.038 0.000 2.360 4154 G HA2 0.369 4.329 3.960 0.000 0.000 0.276 4154 G HA3 0.369 4.329 3.960 0.000 0.000 0.276 4154 G C -1.315 173.585 174.900 -0.001 0.000 1.256 4154 G CA -0.414 44.700 45.100 0.024 0.000 0.890 4154 G HN 0.529 nan 8.290 nan 0.000 0.486 4155 V N 0.909 120.814 119.914 -0.016 0.000 2.649 4155 V HA 0.592 4.712 4.120 0.000 0.000 0.292 4155 V C 0.371 176.415 176.094 -0.084 0.000 1.055 4155 V CA 0.064 62.336 62.300 -0.047 0.000 1.023 4155 V CB 1.221 33.015 31.823 -0.048 0.000 0.992 4155 V HN 0.772 nan 8.190 nan 0.000 0.480 4156 T N 3.435 117.926 114.554 -0.105 0.000 2.856 4156 T HA 0.655 5.005 4.350 0.000 0.000 0.283 4156 T C -0.074 174.500 174.700 -0.209 0.000 1.008 4156 T CA -0.308 61.711 62.100 -0.136 0.000 0.997 4156 T CB 1.675 70.495 68.868 -0.079 0.000 0.992 4156 T HN 0.921 nan 8.240 nan 0.000 0.454 4157 A N 2.107 124.755 122.820 -0.287 0.000 2.269 4157 A HA 0.608 4.928 4.320 0.000 0.000 0.302 4157 A C 0.393 177.931 177.584 -0.077 0.000 1.266 4157 A CA -0.485 51.345 52.037 -0.345 0.000 0.894 4157 A CB 0.353 18.978 19.000 -0.624 0.000 1.147 4157 A HN 0.641 nan 8.150 nan 0.000 0.537 4158 S N 2.520 118.178 115.700 -0.070 0.000 2.528 4158 S HA 0.451 4.921 4.470 0.000 0.000 0.303 4158 S C 0.072 174.680 174.600 0.014 0.000 1.123 4158 S CA -0.326 57.869 58.200 -0.008 0.000 1.138 4158 S CB 0.077 63.266 63.200 -0.018 0.000 0.984 4158 S HN 0.932 nan 8.310 nan 0.000 0.474 4159 S N 3.012 118.713 115.700 0.002 0.000 2.585 4159 S HA 0.321 4.791 4.470 0.000 0.000 0.277 4159 S C 0.521 175.094 174.600 -0.045 0.000 1.241 4159 S CA -0.527 57.642 58.200 -0.051 0.000 1.041 4159 S CB 0.940 64.008 63.200 -0.222 0.000 0.987 4159 S HN 0.701 nan 8.310 nan 0.000 0.512 4160 D N 1.650 122.033 120.400 -0.029 0.000 2.349 4160 D HA 0.146 4.786 4.640 0.000 0.000 0.224 4160 D C 0.380 176.662 176.300 -0.030 0.000 1.029 4160 D CA 0.583 54.578 54.000 -0.009 0.000 0.879 4160 D CB 0.200 41.018 40.800 0.030 0.000 0.906 4160 D HN 0.695 nan 8.370 nan 0.000 0.528 4161 T N -3.938 110.558 114.554 -0.096 0.000 2.909 4161 T HA 0.264 4.614 4.350 0.000 0.000 0.299 4161 T C 0.527 175.153 174.700 -0.124 0.000 1.073 4161 T CA -0.847 61.211 62.100 -0.070 0.000 0.999 4161 T CB 1.082 69.896 68.868 -0.090 0.000 1.098 4161 T HN -0.129 nan 8.240 nan 0.000 0.477 4162 F N 0.506 120.315 119.950 -0.234 0.000 2.325 4162 F HA 0.111 4.639 4.527 0.000 0.000 0.299 4162 F C 0.988 176.438 175.800 -0.583 0.000 1.090 4162 F CA 1.036 58.769 58.000 -0.445 0.000 1.392 4162 F CB -0.050 38.598 39.000 -0.587 0.000 1.053 4162 F HN 0.702 nan 8.300 nan 0.000 0.521 4163 Y N 0.135 120.359 120.300 -0.126 0.000 2.382 4163 Y HA 0.143 4.693 4.550 0.001 0.000 0.263 4163 Y C -0.538 175.160 175.900 -0.336 0.000 1.103 4163 Y CA 0.261 58.243 58.100 -0.196 0.000 1.223 4163 Y CB -1.869 36.565 38.460 -0.043 0.000 1.124 4163 Y HN -0.223 nan 8.280 nan 0.000 0.501 4164 P HA -0.057 nan 4.420 nan 0.000 0.217 4164 P C 1.485 178.452 177.300 -0.556 0.000 1.151 4164 P CA 2.092 65.029 63.100 -0.271 0.000 0.828 4164 P CB -0.143 31.469 31.700 -0.146 0.000 0.788 4165 G N 0.088 108.411 108.800 -0.794 0.000 2.471 4165 G HA2 -0.188 3.773 3.960 0.000 0.000 0.219 4165 G HA3 -0.188 3.773 3.960 0.000 0.000 0.219 4165 G C 1.358 175.690 174.900 -0.948 0.000 1.125 4165 G CA 0.254 44.491 45.100 -1.439 0.000 0.775 4165 G HN 0.362 nan 8.290 nan 0.000 0.548 4166 Q N -0.309 118.963 119.800 -0.881 0.000 2.204 4166 Q HA 0.187 4.527 4.340 0.000 0.000 0.209 4166 Q C -0.071 175.505 176.000 -0.706 0.000 0.861 4166 Q CA -0.298 54.686 55.803 -1.364 0.000 0.971 4166 Q CB 0.391 28.326 28.738 -1.339 0.000 1.095 4166 Q HN 0.588 nan 8.270 nan 0.000 0.486 4167 E N 1.865 121.822 120.200 -0.406 0.000 2.197 4167 E HA -0.248 4.102 4.350 0.000 0.000 0.184 4167 E C -0.908 175.504 176.600 -0.314 0.000 1.439 4167 E CA 0.181 56.422 56.400 -0.266 0.000 0.688 4167 E CB -0.269 29.442 29.700 0.019 0.000 1.090 4167 E HN 0.322 nan 8.360 nan 0.000 0.341 4168 R N 0.168 120.449 120.500 -0.365 0.000 2.486 4168 R HA 0.275 4.615 4.340 0.000 0.000 0.286 4168 R C 0.210 176.332 176.300 -0.298 0.000 0.999 4168 R CA -0.253 55.728 56.100 -0.197 0.000 0.993 4168 R CB 0.599 30.853 30.300 -0.076 0.000 1.084 4168 R HN 0.260 nan 8.270 nan 0.000 0.487 4169 Y N -0.750 119.588 120.300 0.064 0.000 2.453 4169 Y HA 0.108 4.658 4.550 0.000 0.000 0.247 4169 Y C 0.251 176.182 175.900 0.052 0.000 1.124 4169 Y CA -0.321 57.809 58.100 0.050 0.000 1.243 4169 Y CB 0.819 39.299 38.460 0.032 0.000 1.213 4169 Y HN 0.484 nan 8.280 nan 0.000 0.523 4170 D N 1.750 122.270 120.400 0.199 0.000 2.948 4170 D HA 0.016 4.656 4.640 0.000 0.000 0.241 4170 D C 0.521 176.877 176.300 0.093 0.000 1.198 4170 D CA 0.461 54.551 54.000 0.150 0.000 0.926 4170 D CB -0.400 40.501 40.800 0.168 0.000 1.151 4170 D HN 0.261 nan 8.370 nan 0.000 0.441 4171 T N -4.088 110.494 114.554 0.047 0.000 2.942 4171 T HA 0.198 4.549 4.350 0.000 0.000 0.289 4171 T C 1.148 175.852 174.700 0.006 0.000 1.044 4171 T CA -0.927 61.142 62.100 -0.052 0.000 1.023 4171 T CB 1.434 70.249 68.868 -0.088 0.000 1.123 4171 T HN 0.102 nan 8.240 nan 0.000 0.512 4172 Y N 1.832 122.061 120.300 -0.119 0.000 2.102 4172 Y HA -0.241 4.309 4.550 0.000 0.000 0.280 4172 Y C 2.628 178.508 175.900 -0.034 0.000 1.178 4172 Y CA 2.596 60.653 58.100 -0.072 0.000 1.146 4172 Y CB -0.255 38.153 38.460 -0.086 0.000 0.968 4172 Y HN 0.784 nan 8.280 nan 0.000 0.504 4173 S N -1.373 114.239 115.700 -0.145 0.000 2.458 4173 S HA 0.187 4.657 4.470 0.000 0.000 0.223 4173 S C 1.810 176.355 174.600 -0.092 0.000 1.019 4173 S CA 0.509 58.592 58.200 -0.195 0.000 0.937 4173 S CB -0.202 62.971 63.200 -0.045 0.000 0.788 4173 S HN 0.971 nan 8.310 nan 0.000 0.511 4174 G N 1.801 110.595 108.800 -0.010 0.000 2.155 4174 G HA2 -0.313 3.647 3.960 0.000 0.000 0.257 4174 G HA3 -0.313 3.647 3.960 0.000 0.000 0.257 4174 G C 0.019 175.026 174.900 0.178 0.000 0.983 4174 G CA 0.494 45.646 45.100 0.087 0.000 0.676 4174 G HN 0.862 nan 8.290 nan 0.000 0.528 4175 R N -0.627 119.940 120.500 0.111 0.000 2.803 4175 R HA 0.728 5.068 4.340 0.000 0.000 0.276 4175 R C -1.333 175.010 176.300 0.072 0.000 0.978 4175 R CA -0.626 55.551 56.100 0.129 0.000 0.939 4175 R CB 2.110 32.450 30.300 0.067 0.000 1.179 4175 R HN 0.202 nan 8.270 nan 0.000 0.472 4176 V N 3.688 123.662 119.914 0.100 0.000 2.638 4176 V HA 0.228 4.348 4.120 0.000 0.000 0.306 4176 V C 0.030 176.182 176.094 0.097 0.000 1.052 4176 V CA -0.921 61.397 62.300 0.031 0.000 0.885 4176 V CB 1.810 33.573 31.823 -0.100 0.000 0.999 4176 V HN 0.675 nan 8.190 nan 0.000 0.424 4177 V N 5.976 125.957 119.914 0.111 0.000 2.788 4177 V HA 0.038 4.159 4.120 0.000 0.000 0.307 4177 V C 1.867 178.029 176.094 0.113 0.000 1.069 4177 V CA 0.903 63.274 62.300 0.119 0.000 1.173 4177 V CB 0.831 32.742 31.823 0.145 0.000 0.925 4177 V HN 0.977 nan 8.190 nan 0.000 0.492 4178 R N 4.122 124.662 120.500 0.066 0.000 2.159 4178 R HA -0.253 4.087 4.340 0.000 0.000 0.249 4178 R C 2.307 178.603 176.300 -0.006 0.000 1.136 4178 R CA 2.705 58.824 56.100 0.031 0.000 0.951 4178 R CB -0.409 29.898 30.300 0.011 0.000 0.876 4178 R HN 0.858 nan 8.270 nan 0.000 0.440 4179 R N -0.705 119.765 120.500 -0.050 0.000 2.119 4179 R HA -0.183 4.157 4.340 0.000 0.000 0.246 4179 R C 1.477 177.578 176.300 -0.332 0.000 1.146 4179 R CA 2.175 58.139 56.100 -0.227 0.000 0.962 4179 R CB -0.224 29.877 30.300 -0.330 0.000 0.863 4179 R HN 0.344 nan 8.270 nan 0.000 0.442 4180 F N 0.048 120.015 119.950 0.030 0.000 2.695 4180 F HA 0.246 4.774 4.527 0.000 0.000 0.303 4180 F C 0.580 176.389 175.800 0.015 0.000 1.091 4180 F CA -0.340 57.679 58.000 0.032 0.000 1.300 4180 F CB 0.446 39.465 39.000 0.032 0.000 1.071 4180 F HN -0.206 nan 8.300 nan 0.000 0.578 4181 K N 1.001 121.492 120.400 0.151 0.000 2.363 4181 K HA 0.292 4.612 4.320 0.000 0.000 0.289 4181 K C 0.959 177.613 176.600 0.090 0.000 1.063 4181 K CA 0.728 57.102 56.287 0.146 0.000 0.967 4181 K CB -0.043 32.531 32.500 0.124 0.000 0.987 4181 K HN 0.376 nan 8.250 nan 0.000 0.473 4182 G N 2.752 111.624 108.800 0.121 0.000 2.137 4182 G HA2 -0.293 3.667 3.960 0.000 0.000 0.237 4182 G HA3 -0.293 3.667 3.960 0.000 0.000 0.237 4182 G C 0.558 175.438 174.900 -0.034 0.000 1.002 4182 G CA 0.628 45.758 45.100 0.051 0.000 0.702 4182 G HN 0.723 nan 8.290 nan 0.000 0.515 4183 S N -1.181 114.515 115.700 -0.006 0.000 2.458 4183 S HA 0.161 4.631 4.470 0.000 0.000 0.223 4183 S C 2.222 176.673 174.600 -0.248 0.000 1.019 4183 S CA 1.265 59.340 58.200 -0.209 0.000 0.937 4183 S CB -0.139 63.077 63.200 0.025 0.000 0.788 4183 S HN 0.702 nan 8.310 nan 0.000 0.511 4184 M N 1.783 121.464 119.600 0.134 0.000 2.086 4184 M HA -0.067 4.414 4.480 0.000 0.000 0.261 4184 M C 2.023 178.388 176.300 0.108 0.000 1.067 4184 M CA 1.831 57.300 55.300 0.283 0.000 1.116 4184 M CB -0.259 32.549 32.600 0.346 0.000 1.348 4184 M HN 0.293 nan 8.290 nan 0.000 0.407 4185 E N -0.132 120.093 120.200 0.040 0.000 2.204 4185 E HA -0.190 4.160 4.350 0.000 0.000 0.194 4185 E C 1.869 178.443 176.600 -0.043 0.000 0.989 4185 E CA 1.196 57.603 56.400 0.011 0.000 0.824 4185 E CB -0.080 29.626 29.700 0.010 0.000 0.756 4185 E HN 0.651 nan 8.360 nan 0.000 0.477 4186 E N 0.033 120.138 120.200 -0.158 0.000 2.077 4186 E HA -0.180 4.170 4.350 0.000 0.000 0.193 4186 E C 1.705 178.207 176.600 -0.164 0.000 0.989 4186 E CA 1.057 57.301 56.400 -0.260 0.000 0.800 4186 E CB -0.108 29.289 29.700 -0.506 0.000 0.746 4186 E HN 0.412 nan 8.360 nan 0.000 0.452 4187 W N 1.180 122.487 121.300 0.013 0.000 2.402 4187 W HA -0.145 4.515 4.660 0.000 0.000 0.286 4187 W C 2.449 178.936 176.519 -0.053 0.000 1.221 4187 W CA 0.100 57.427 57.345 -0.030 0.000 1.257 4187 W CB -0.057 29.352 29.460 -0.085 0.000 1.120 4187 W HN 0.131 nan 8.180 nan 0.000 0.551 4188 Q N 0.455 120.344 119.800 0.149 0.000 2.030 4188 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 4188 Q C 2.533 178.571 176.000 0.064 0.000 0.986 4188 Q CA 1.874 57.721 55.803 0.074 0.000 0.843 4188 Q CB -0.658 28.107 28.738 0.044 0.000 0.904 4188 Q HN 0.308 nan 8.270 nan 0.000 0.420 4189 A N 0.493 123.342 122.820 0.047 0.000 2.019 4189 A HA -0.148 4.172 4.320 0.000 0.000 0.219 4189 A C 1.859 179.474 177.584 0.052 0.000 1.164 4189 A CA 1.275 53.333 52.037 0.034 0.000 0.644 4189 A CB -0.406 18.600 19.000 0.009 0.000 0.805 4189 A HN 0.332 nan 8.150 nan 0.000 0.449 4190 M N -1.376 118.278 119.600 0.090 0.000 2.618 4190 M HA 0.165 4.645 4.480 0.000 0.000 0.240 4190 M C 1.314 177.669 176.300 0.092 0.000 1.123 4190 M CA 0.736 56.103 55.300 0.111 0.000 1.060 4190 M CB 0.137 32.858 32.600 0.202 0.000 1.535 4190 M HN 0.602 nan 8.290 nan 0.000 0.507 4191 G N 1.105 109.952 108.800 0.077 0.000 2.143 4191 G HA2 -0.201 3.759 3.960 0.000 0.000 0.248 4191 G HA3 -0.201 3.759 3.960 0.000 0.000 0.248 4191 G C 0.032 174.953 174.900 0.035 0.000 0.991 4191 G CA -0.217 44.916 45.100 0.055 0.000 0.689 4191 G HN 0.320 nan 8.290 nan 0.000 0.522 4192 V N 1.385 121.322 119.914 0.038 0.000 2.655 4192 V HA 0.228 4.348 4.120 0.000 0.000 0.300 4192 V C 1.842 177.889 176.094 -0.079 0.000 1.044 4192 V CA 0.970 63.248 62.300 -0.036 0.000 1.095 4192 V CB 1.262 33.041 31.823 -0.074 0.000 0.952 4192 V HN 0.402 nan 8.190 nan 0.000 0.485 4193 M N 3.036 122.574 119.600 -0.104 0.000 2.248 4193 M HA 0.120 4.601 4.480 0.000 0.000 0.265 4193 M C 0.511 176.713 176.300 -0.163 0.000 1.079 4193 M CA 1.016 56.243 55.300 -0.121 0.000 1.150 4193 M CB -0.013 32.541 32.600 -0.078 0.000 1.366 4193 M HN 0.932 nan 8.290 nan 0.000 0.433 4194 N N -1.501 117.081 118.700 -0.195 0.000 2.823 4194 N HA 0.192 4.933 4.740 0.000 0.000 0.251 4194 N C -1.980 173.380 175.510 -0.251 0.000 1.392 4194 N CA -0.660 52.276 53.050 -0.191 0.000 0.864 4194 N CB 1.042 39.479 38.487 -0.084 0.000 1.481 4194 N HN -0.107 nan 8.380 nan 0.000 0.508 4195 Y N -0.022 120.226 120.300 -0.086 0.000 2.342 4195 Y HA 0.488 5.039 4.550 0.001 0.000 0.334 4195 Y C 0.464 176.305 175.900 -0.097 0.000 1.067 4195 Y CA -0.155 57.876 58.100 -0.115 0.000 1.128 4195 Y CB 1.332 39.703 38.460 -0.148 0.000 1.200 4195 Y HN 0.806 nan 8.280 nan 0.000 0.464 4196 E N 0.070 120.330 120.200 0.099 0.000 2.435 4196 E HA 0.511 4.861 4.350 0.000 0.000 0.272 4196 E C -1.106 175.512 176.600 0.029 0.000 1.031 4196 E CA -0.716 55.713 56.400 0.049 0.000 0.872 4196 E CB 1.138 30.857 29.700 0.032 0.000 1.588 4196 E HN 0.450 nan 8.360 nan 0.000 0.460 4197 M N -0.464 119.152 119.600 0.027 0.000 2.300 4197 M HA 0.319 4.800 4.480 0.000 0.000 0.313 4197 M C -0.108 176.200 176.300 0.013 0.000 0.988 4197 M CA 0.248 55.558 55.300 0.017 0.000 1.012 4197 M CB 0.657 33.275 32.600 0.030 0.000 1.586 4197 M HN 0.556 nan 8.290 nan 0.000 0.562 4198 E N -0.972 119.234 120.200 0.011 0.000 2.568 4198 E HA 0.069 4.419 4.350 0.000 0.000 0.220 4198 E C 1.770 178.365 176.600 -0.009 0.000 0.869 4198 E CA 0.476 56.878 56.400 0.004 0.000 1.268 4198 E CB 0.429 30.135 29.700 0.011 0.000 1.252 4198 E HN 0.296 nan 8.360 nan 0.000 0.606 4199 S N 0.815 116.511 115.700 -0.007 0.000 2.368 4199 S HA -0.081 4.389 4.470 0.000 0.000 0.224 4199 S C 2.253 176.842 174.600 -0.019 0.000 1.029 4199 S CA 0.922 59.113 58.200 -0.014 0.000 0.988 4199 S CB -0.318 62.874 63.200 -0.013 0.000 0.838 4199 S HN 0.219 nan 8.310 nan 0.000 0.462 4200 A N 1.856 124.669 122.820 -0.011 0.000 1.908 4200 A HA -0.072 4.248 4.320 0.000 0.000 0.218 4200 A C 2.443 180.027 177.584 0.000 0.000 1.181 4200 A CA 2.285 54.324 52.037 0.003 0.000 0.627 4200 A CB -1.722 17.287 19.000 0.015 0.000 0.818 4200 A HN 0.589 nan 8.150 nan 0.000 0.445 4201 T N -0.159 114.387 114.554 -0.014 0.000 2.701 4201 T HA -0.094 4.256 4.350 0.000 0.000 0.263 4201 T C 1.885 176.495 174.700 -0.149 0.000 1.040 4201 T CA 1.403 63.476 62.100 -0.045 0.000 1.147 4201 T CB -0.416 68.438 68.868 -0.024 0.000 0.865 4201 T HN 0.346 nan 8.240 nan 0.000 0.426 4202 L N 1.009 122.156 121.223 -0.128 0.000 1.989 4202 L HA -0.044 4.296 4.340 0.000 0.000 0.211 4202 L C 2.207 178.976 176.870 -0.169 0.000 1.071 4202 L CA 1.722 56.455 54.840 -0.178 0.000 0.749 4202 L CB -0.563 41.431 42.059 -0.108 0.000 0.890 4202 L HN 0.237 nan 8.230 nan 0.000 0.431 4203 L N -1.473 119.701 121.223 -0.082 0.000 2.056 4203 L HA -0.166 4.174 4.340 0.000 0.000 0.207 4203 L C 2.401 179.265 176.870 -0.009 0.000 1.078 4203 L CA 1.600 56.421 54.840 -0.031 0.000 0.749 4203 L CB -1.282 40.780 42.059 0.005 0.000 0.901 4203 L HN 0.280 nan 8.230 nan 0.000 0.433 4204 T N 0.885 115.434 114.554 -0.008 0.000 2.684 4204 T HA -0.243 4.107 4.350 0.000 0.000 0.267 4204 T C 1.841 176.453 174.700 -0.146 0.000 1.036 4204 T CA 2.098 64.222 62.100 0.039 0.000 1.148 4204 T CB -0.293 68.617 68.868 0.070 0.000 0.863 4204 T HN 0.466 nan 8.240 nan 0.000 0.436 4205 M N -0.026 119.322 119.600 -0.419 0.000 2.374 4205 M HA 0.041 4.522 4.480 0.000 0.000 0.264 4205 M C 2.030 178.051 176.300 -0.465 0.000 1.067 4205 M CA 1.357 56.144 55.300 -0.855 0.000 1.103 4205 M CB -0.778 30.823 32.600 -1.665 0.000 1.402 4205 M HN 0.179 nan 8.290 nan 0.000 0.444 4206 C N 0.932 120.066 119.300 -0.277 0.000 2.519 4206 C HA 0.311 4.771 4.460 0.000 0.000 0.281 4206 C C 3.225 178.206 174.990 -0.014 0.000 1.331 4206 C CA 0.705 59.640 59.018 -0.138 0.000 1.725 4206 C CB -0.811 26.871 27.740 -0.097 0.000 2.079 4206 C HN 0.754 nan 8.230 nan 0.000 0.496 4207 A N 1.264 124.115 122.820 0.051 0.000 1.933 4207 A HA -0.131 4.189 4.320 0.000 0.000 0.218 4207 A C 2.159 179.875 177.584 0.220 0.000 1.175 4207 A CA 2.170 54.315 52.037 0.181 0.000 0.628 4207 A CB -0.697 18.478 19.000 0.292 0.000 0.814 4207 A HN 0.683 nan 8.150 nan 0.000 0.444 4208 S N -1.713 114.011 115.700 0.040 0.000 2.631 4208 S HA 0.141 4.611 4.470 0.000 0.000 0.217 4208 S C 1.026 175.581 174.600 -0.075 0.000 0.958 4208 S CA 0.445 58.529 58.200 -0.194 0.000 0.920 4208 S CB 0.055 62.849 63.200 -0.677 0.000 0.776 4208 S HN 0.632 nan 8.310 nan 0.000 0.517 4209 Q N 0.169 119.957 119.800 -0.021 0.000 2.118 4209 Q HA 0.314 4.654 4.340 0.000 0.000 0.219 4209 Q C 0.581 176.601 176.000 0.033 0.000 0.794 4209 Q CA 0.074 55.880 55.803 0.006 0.000 1.035 4209 Q CB 1.085 29.817 28.738 -0.011 0.000 1.177 4209 Q HN 0.671 nan 8.270 nan 0.000 0.478 4210 G N 1.767 110.598 108.800 0.051 0.000 2.246 4210 G HA2 -0.265 3.695 3.960 0.000 0.000 0.273 4210 G HA3 -0.265 3.695 3.960 0.000 0.000 0.273 4210 G C -0.280 174.664 174.900 0.073 0.000 1.055 4210 G CA 0.267 45.406 45.100 0.064 0.000 0.851 4210 G HN 0.224 nan 8.290 nan 0.000 0.500 4211 L N -0.783 120.487 121.223 0.079 0.000 2.342 4211 L HA 0.647 4.987 4.340 0.000 0.000 0.271 4211 L C 0.867 177.815 176.870 0.129 0.000 1.008 4211 L CA -1.196 53.720 54.840 0.126 0.000 0.818 4211 L CB 1.583 43.738 42.059 0.160 0.000 1.296 4211 L HN 0.083 nan 8.230 nan 0.000 0.427 4212 R N 1.833 122.425 120.500 0.154 0.000 2.265 4212 R HA 0.721 5.062 4.340 0.000 0.000 0.314 4212 R C -0.678 175.723 176.300 0.169 0.000 1.053 4212 R CA -0.461 55.715 56.100 0.127 0.000 0.931 4212 R CB 1.380 31.732 30.300 0.086 0.000 1.024 4212 R HN 0.670 nan 8.270 nan 0.000 0.457 4213 A N 1.697 124.589 122.820 0.119 0.000 2.393 4213 A HA 0.763 5.083 4.320 0.000 0.000 0.306 4213 A C -0.537 177.088 177.584 0.069 0.000 1.050 4213 A CA -0.678 51.428 52.037 0.115 0.000 0.724 4213 A CB 2.081 21.118 19.000 0.063 0.000 1.248 4213 A HN 0.759 nan 8.150 nan 0.000 0.424 4214 G N 0.180 109.019 108.800 0.065 0.000 2.524 4214 G HA2 0.641 4.601 3.960 0.000 0.000 0.310 4214 G HA3 0.641 4.601 3.960 0.000 0.000 0.310 4214 G C -1.127 173.790 174.900 0.030 0.000 1.279 4214 G CA -0.537 44.582 45.100 0.032 0.000 0.974 4214 G HN 0.953 nan 8.290 nan 0.000 0.484 4215 M N 2.703 122.312 119.600 0.014 0.000 2.165 4215 M HA 0.648 5.128 4.480 0.000 0.000 0.283 4215 M C -1.727 174.576 176.300 0.006 0.000 0.978 4215 M CA -0.957 54.351 55.300 0.012 0.000 0.948 4215 M CB 1.568 34.172 32.600 0.007 0.000 1.599 4215 M HN 0.587 nan 8.290 nan 0.000 0.450 4216 V N 4.126 124.045 119.914 0.009 0.000 2.914 4216 V HA 1.066 5.186 4.120 0.000 0.000 0.314 4216 V C -1.389 174.713 176.094 0.013 0.000 1.084 4216 V CA 0.101 62.405 62.300 0.006 0.000 0.963 4216 V CB 2.001 33.825 31.823 0.002 0.000 1.025 4216 V HN 1.171 nan 8.190 nan 0.000 0.432 4217 A N 3.127 125.956 122.820 0.015 0.000 2.606 4217 A HA 0.888 5.209 4.320 0.000 0.000 0.293 4217 A C -0.408 177.192 177.584 0.026 0.000 1.082 4217 A CA -0.152 51.897 52.037 0.020 0.000 0.685 4217 A CB 1.835 20.846 19.000 0.019 0.000 1.284 4217 A HN 1.594 nan 8.150 nan 0.000 0.408 4218 G N 0.156 108.972 108.800 0.027 0.000 2.422 4218 G HA2 0.540 4.500 3.960 0.000 0.000 0.317 4218 G HA3 0.540 4.500 3.960 0.000 0.000 0.317 4218 G C -0.551 174.367 174.900 0.029 0.000 1.210 4218 G CA -0.389 44.730 45.100 0.031 0.000 0.930 4218 G HN 0.961 nan 8.290 nan 0.000 0.468 4219 V N 4.029 123.963 119.914 0.034 0.000 2.450 4219 V HA 0.049 4.169 4.120 0.000 0.000 0.281 4219 V C 1.431 177.540 176.094 0.026 0.000 1.019 4219 V CA 0.298 62.615 62.300 0.029 0.000 1.062 4219 V CB 0.397 32.238 31.823 0.031 0.000 0.979 4219 V HN 0.773 nan 8.190 nan 0.000 0.477 4220 I N 3.263 123.850 120.570 0.029 0.000 4.070 4220 I HA 0.490 4.661 4.170 0.000 0.000 0.328 4220 I C 0.330 176.467 176.117 0.032 0.000 1.298 4220 I CA 0.345 61.663 61.300 0.029 0.000 1.173 4220 I CB 0.955 38.976 38.000 0.035 0.000 1.051 4220 I HN 0.423 nan 8.210 nan 0.000 0.409 4221 V N 1.554 121.487 119.914 0.031 0.000 2.969 4221 V HA 0.417 4.537 4.120 0.000 0.000 0.304 4221 V C -1.742 174.363 176.094 0.018 0.000 1.192 4221 V CA -0.588 61.729 62.300 0.029 0.000 0.962 4221 V CB 2.294 34.140 31.823 0.039 0.000 1.045 4221 V HN 0.348 nan 8.190 nan 0.000 0.428 4222 N N 5.326 124.034 118.700 0.014 0.000 2.437 4222 N HA 0.364 5.104 4.740 0.000 0.000 0.259 4222 N C 0.592 176.112 175.510 0.017 0.000 0.983 4222 N CA -0.574 52.478 53.050 0.004 0.000 0.937 4222 N CB 1.534 40.018 38.487 -0.005 0.000 1.122 4222 N HN 0.624 nan 8.380 nan 0.000 0.499 4223 R N 1.098 121.612 120.500 0.023 0.000 2.236 4223 R HA -0.037 4.303 4.340 0.000 0.000 0.208 4223 R C 1.606 177.937 176.300 0.051 0.000 1.036 4223 R CA 0.855 56.984 56.100 0.049 0.000 1.001 4223 R CB -0.623 29.732 30.300 0.091 0.000 0.896 4223 R HN 0.693 nan 8.270 nan 0.000 0.464 4224 T N -2.593 111.980 114.554 0.031 0.000 2.995 4224 T HA -0.051 4.300 4.350 0.000 0.000 0.269 4224 T C 1.696 176.413 174.700 0.029 0.000 1.091 4224 T CA 0.842 62.961 62.100 0.031 0.000 1.128 4224 T CB 0.221 69.099 68.868 0.016 0.000 0.891 4224 T HN 0.209 nan 8.240 nan 0.000 0.492 4225 Q N 0.356 120.172 119.800 0.027 0.000 2.481 4225 Q HA 0.242 4.582 4.340 0.000 0.000 0.219 4225 Q C 1.284 177.304 176.000 0.032 0.000 0.920 4225 Q CA 0.255 56.073 55.803 0.026 0.000 0.915 4225 Q CB 0.482 29.232 28.738 0.021 0.000 1.057 4225 Q HN 0.828 nan 8.270 nan 0.000 0.581 4226 Q N -1.419 118.403 119.800 0.036 0.000 3.177 4226 Q HA 0.383 4.723 4.340 0.000 0.000 0.339 4226 Q C -0.105 175.925 176.000 0.050 0.000 0.912 4226 Q CA -0.680 55.150 55.803 0.044 0.000 0.818 4226 Q CB 0.961 29.724 28.738 0.041 0.000 1.448 4226 Q HN -0.035 nan 8.270 nan 0.000 0.489 4227 E N -0.965 119.268 120.200 0.055 0.000 2.633 4227 E HA 0.277 4.627 4.350 0.000 0.000 0.222 4227 E C 0.513 177.148 176.600 0.059 0.000 0.899 4227 E CA 0.152 56.583 56.400 0.051 0.000 1.292 4227 E CB 0.796 30.542 29.700 0.077 0.000 1.257 4227 E HN 0.632 nan 8.360 nan 0.000 0.626 4228 I N 0.728 121.347 120.570 0.081 0.000 5.604 4228 I HA 0.298 4.468 4.170 0.000 0.000 0.236 4228 I C -1.694 174.486 176.117 0.105 0.000 0.847 4228 I CA -1.137 60.233 61.300 0.117 0.000 2.148 4228 I CB -0.627 37.444 38.000 0.119 0.000 1.448 4228 I HN -0.083 nan 8.210 nan 0.000 0.484 4240 H N 1.242 120.300 119.070 -0.020 0.000 2.289 4240 H HA -0.040 4.516 4.556 0.000 0.000 0.296 4240 H C 2.458 177.772 175.328 -0.022 0.000 1.091 4240 H CA 1.535 57.570 56.048 -0.022 0.000 1.274 4240 H CB -0.054 29.695 29.762 -0.022 0.000 1.364 4240 H HN 0.499 nan 8.280 nan 0.000 0.490 4241 A N 0.511 123.404 122.820 0.121 0.000 1.940 4241 A HA -0.175 4.145 4.320 0.000 0.000 0.219 4241 A C 2.635 180.237 177.584 0.030 0.000 1.176 4241 A CA 1.768 53.836 52.037 0.052 0.000 0.631 4241 A CB -0.829 18.194 19.000 0.038 0.000 0.814 4241 A HN 0.224 nan 8.150 nan 0.000 0.446 4242 V N 0.050 119.979 119.914 0.025 0.000 2.261 4242 V HA -0.282 3.838 4.120 0.000 0.000 0.246 4242 V C 2.442 178.540 176.094 0.006 0.000 1.047 4242 V CA 2.380 64.684 62.300 0.006 0.000 1.015 4242 V CB -0.713 31.104 31.823 -0.009 0.000 0.642 4242 V HN 0.548 nan 8.190 nan 0.000 0.446 4243 K N -0.321 120.092 120.400 0.022 0.000 2.097 4243 K HA -0.104 4.217 4.320 0.000 0.000 0.206 4243 K C 2.054 178.655 176.600 0.002 0.000 1.049 4243 K CA 1.542 57.838 56.287 0.015 0.000 0.933 4243 K CB -0.312 32.210 32.500 0.038 0.000 0.717 4243 K HN 0.402 nan 8.250 nan 0.000 0.442 4244 I N 0.266 120.838 120.570 0.003 0.000 2.202 4244 I HA -0.244 3.926 4.170 0.000 0.000 0.242 4244 I C 2.301 178.408 176.117 -0.015 0.000 1.091 4244 I CA 0.845 62.136 61.300 -0.016 0.000 1.368 4244 I CB -0.165 37.822 38.000 -0.022 0.000 1.058 4244 I HN -0.037 nan 8.210 nan 0.000 0.410 4245 V N 0.274 120.183 119.914 -0.007 0.000 2.626 4245 V HA -0.175 3.945 4.120 0.000 0.000 0.252 4245 V C 2.241 178.329 176.094 -0.011 0.000 1.067 4245 V CA 1.401 63.697 62.300 -0.007 0.000 1.081 4245 V CB 0.217 32.040 31.823 0.001 0.000 0.686 4245 V HN 0.205 nan 8.190 nan 0.000 0.468 4246 V N -0.051 119.856 119.914 -0.011 0.000 2.346 4246 V HA -0.149 3.972 4.120 0.000 0.000 0.244 4246 V C 2.468 178.552 176.094 -0.016 0.000 1.037 4246 V CA 2.050 64.342 62.300 -0.013 0.000 1.029 4246 V CB -0.526 31.289 31.823 -0.014 0.000 0.663 4246 V HN 0.663 nan 8.190 nan 0.000 0.454 4247 E N 1.144 121.334 120.200 -0.017 0.000 2.153 4247 E HA -0.165 4.185 4.350 0.000 0.000 0.194 4247 E C 2.028 178.613 176.600 -0.025 0.000 0.988 4247 E CA 1.652 58.040 56.400 -0.021 0.000 0.811 4247 E CB -0.419 29.267 29.700 -0.024 0.000 0.746 4247 E HN 0.498 nan 8.360 nan 0.000 0.466 4248 A N 0.768 123.572 122.820 -0.027 0.000 1.930 4248 A HA 0.012 4.332 4.320 0.000 0.000 0.217 4248 A C 2.449 180.016 177.584 -0.028 0.000 1.175 4248 A CA 1.840 53.858 52.037 -0.031 0.000 0.627 4248 A CB -0.967 18.014 19.000 -0.032 0.000 0.815 4248 A HN 0.401 nan 8.150 nan 0.000 0.443 4249 A N 0.265 123.071 122.820 -0.024 0.000 1.902 4249 A HA -0.193 4.128 4.320 0.000 0.000 0.217 4249 A C 2.180 179.750 177.584 -0.024 0.000 1.181 4249 A CA 1.509 53.531 52.037 -0.024 0.000 0.623 4249 A CB -0.516 18.470 19.000 -0.022 0.000 0.818 4249 A HN 0.577 nan 8.150 nan 0.000 0.443 4250 R N -0.673 119.815 120.500 -0.021 0.000 2.159 4250 R HA -0.117 4.223 4.340 0.000 0.000 0.237 4250 R C 1.902 178.190 176.300 -0.019 0.000 1.131 4250 R CA 1.538 57.627 56.100 -0.018 0.000 0.982 4250 R CB -0.265 30.025 30.300 -0.017 0.000 0.868 4250 R HN 0.476 nan 8.270 nan 0.000 0.453 4251 R N 0.160 120.646 120.500 -0.023 0.000 2.310 4251 R HA 0.134 4.474 4.340 0.000 0.000 0.202 4251 R C 1.087 177.373 176.300 -0.023 0.000 0.933 4251 R CA 0.404 56.489 56.100 -0.024 0.000 1.054 4251 R CB 0.386 30.667 30.300 -0.032 0.000 0.985 4251 R HN 0.179 nan 8.270 nan 0.000 0.489 4252 L N -0.276 120.933 121.223 -0.023 0.000 3.086 4252 L HA 0.275 4.615 4.340 0.000 0.000 0.274 4252 L C 0.229 177.087 176.870 -0.021 0.000 1.184 4252 L CA -0.234 54.593 54.840 -0.021 0.000 1.002 4252 L CB 0.379 42.423 42.059 -0.025 0.000 1.383 4252 L HN 0.005 nan 8.230 nan 0.000 0.582 4253 L N 0.000 121.210 121.223 -0.021 0.000 2.949 4253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 4253 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 4253 L CB 0.000 42.047 42.059 -0.019 0.000 0.961 4253 L HN 0.000 nan 8.230 nan 0.000 0.502