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 2h7c_1_D DATA FIRST_RESID 4021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 4021 S HA 0.000 nan 4.470 nan 0.000 0.327 4021 S C 0.000 174.668 174.600 0.114 0.000 1.055 4021 S CA 0.000 58.218 58.200 0.030 0.000 1.107 4021 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 4022 S N 1.762 117.546 115.700 0.141 0.000 2.645 4022 S HA 0.735 5.204 4.470 -0.001 0.000 0.266 4022 S C -2.130 172.604 174.600 0.224 0.000 1.258 4022 S CA -1.074 57.213 58.200 0.144 0.000 0.990 4022 S CB -0.387 62.872 63.200 0.098 0.000 0.967 4022 S HN 0.510 nan 8.310 nan 0.000 0.556 4023 P HA 0.190 nan 4.420 nan 0.000 0.266 4023 P C -2.595 174.668 177.300 -0.062 0.000 1.193 4023 P CA -0.920 62.177 63.100 -0.005 0.000 0.770 4023 P CB -0.763 30.911 31.700 -0.044 0.000 0.836 4024 P HA 0.124 nan 4.420 nan 0.000 0.276 4024 P C -0.773 176.553 177.300 0.042 0.000 1.230 4024 P CA -0.008 62.968 63.100 -0.207 0.000 0.776 4024 P CB 0.801 32.154 31.700 -0.578 0.000 0.888 4025 V N 4.369 124.356 119.914 0.122 0.000 2.531 4025 V HA 0.302 4.421 4.120 -0.001 0.000 0.301 4025 V C 0.174 176.320 176.094 0.087 0.000 1.034 4025 V CA -0.674 61.716 62.300 0.151 0.000 0.865 4025 V CB 2.232 34.120 31.823 0.108 0.000 0.995 4025 V HN 0.301 nan 8.190 nan 0.000 0.424 4026 V N 3.136 123.071 119.914 0.035 0.000 2.604 4026 V HA 0.479 4.599 4.120 -0.001 0.000 0.305 4026 V C -0.536 175.477 176.094 -0.136 0.000 1.043 4026 V CA -0.671 61.506 62.300 -0.206 0.000 0.888 4026 V CB 2.229 33.614 31.823 -0.730 0.000 0.995 4026 V HN 0.813 nan 8.190 nan 0.000 0.429 4027 D N 2.972 123.278 120.400 -0.156 0.000 2.313 4027 D HA 0.421 5.061 4.640 -0.001 0.000 0.239 4027 D C 0.147 176.358 176.300 -0.147 0.000 1.142 4027 D CA 0.129 54.069 54.000 -0.101 0.000 0.847 4027 D CB 1.785 42.532 40.800 -0.089 0.000 1.082 4027 D HN 0.791 nan 8.370 nan 0.000 0.480 4028 T N -0.974 113.531 114.554 -0.082 0.000 2.937 4028 T HA 0.275 4.624 4.350 -0.001 0.000 0.283 4028 T C 1.658 176.241 174.700 -0.196 0.000 1.012 4028 T CA -0.730 61.316 62.100 -0.089 0.000 0.997 4028 T CB 0.994 69.961 68.868 0.164 0.000 1.136 4028 T HN 0.020 nan 8.240 nan 0.000 0.551 4029 V N 1.139 120.881 119.914 -0.288 0.000 2.282 4029 V HA -0.182 3.937 4.120 -0.001 0.000 0.249 4029 V C 2.455 178.323 176.094 -0.377 0.000 1.057 4029 V CA 1.848 63.929 62.300 -0.366 0.000 1.032 4029 V CB -1.115 30.398 31.823 -0.516 0.000 0.645 4029 V HN 0.867 nan 8.190 nan 0.000 0.447 4030 H N -0.258 118.624 119.070 -0.313 0.000 2.551 4030 H HA 0.441 4.996 4.556 -0.002 0.000 0.266 4030 H C 0.962 175.556 175.328 -1.224 0.000 0.977 4030 H CA 0.852 56.531 56.048 -0.616 0.000 1.163 4030 H CB 0.276 29.717 29.762 -0.534 0.000 1.381 4030 H HN 0.549 nan 8.280 nan 0.000 0.581 4031 G N -0.006 108.287 108.800 -0.844 0.000 2.368 4031 G HA2 0.024 3.983 3.960 -0.001 0.000 0.302 4031 G HA3 0.024 3.983 3.960 -0.001 0.000 0.302 4031 G C -1.347 173.472 174.900 -0.135 0.000 1.329 4031 G CA -1.141 43.469 45.100 -0.816 0.000 0.935 4031 G HN 0.033 nan 8.290 nan 0.000 0.590 4032 K N -0.392 120.110 120.400 0.170 0.000 2.218 4032 K HA 0.584 4.903 4.320 -0.001 0.000 0.276 4032 K C 0.181 177.100 176.600 0.531 0.000 1.022 4032 K CA -0.496 55.968 56.287 0.295 0.000 0.946 4032 K CB 1.879 34.502 32.500 0.205 0.000 1.000 4032 K HN 1.004 nan 8.250 nan 0.000 0.468 4033 V N 0.789 120.936 119.914 0.388 0.000 2.656 4033 V HA 0.459 4.578 4.120 -0.001 0.000 0.307 4033 V C -0.794 175.518 176.094 0.363 0.000 1.051 4033 V CA -1.150 61.386 62.300 0.393 0.000 0.893 4033 V CB 1.669 33.763 31.823 0.451 0.000 0.999 4033 V HN 0.590 nan 8.190 nan 0.000 0.426 4034 L N 4.578 125.972 121.223 0.285 0.000 2.295 4034 L HA 0.929 5.268 4.340 -0.001 0.000 0.285 4034 L C 0.329 177.280 176.870 0.135 0.000 1.035 4034 L CA 0.751 55.712 54.840 0.201 0.000 0.806 4034 L CB 1.047 43.162 42.059 0.092 0.000 1.214 4034 L HN 1.041 nan 8.230 nan 0.000 0.426 4035 G N 4.845 113.587 108.800 -0.096 0.000 3.212 4035 G HA2 0.635 4.594 3.960 -0.001 0.000 0.188 4035 G HA3 0.635 4.594 3.960 -0.001 0.000 0.188 4035 G C -1.356 173.220 174.900 -0.541 0.000 1.254 4035 G CA -0.529 44.207 45.100 -0.606 0.000 0.957 4035 G HN 0.723 nan 8.290 nan 0.000 0.596 4036 K N -1.138 118.860 120.400 -0.669 0.000 2.527 4036 K HA 0.587 4.906 4.320 -0.001 0.000 0.260 4036 K C -1.799 174.541 176.600 -0.433 0.000 0.937 4036 K CA -0.815 55.208 56.287 -0.440 0.000 0.826 4036 K CB 1.919 34.271 32.500 -0.246 0.000 1.359 4036 K HN 0.278 nan 8.250 nan 0.000 0.434 4037 F N 1.329 121.212 119.950 -0.112 0.000 2.394 4037 F HA 0.453 4.979 4.527 -0.002 0.000 0.340 4037 F C -0.198 175.583 175.800 -0.032 0.000 1.105 4037 F CA -0.677 57.288 58.000 -0.058 0.000 1.124 4037 F CB 1.923 40.911 39.000 -0.021 0.000 1.145 4037 F HN 0.105 nan 8.300 nan 0.000 0.505 4038 V N 2.366 122.405 119.914 0.208 0.000 2.686 4038 V HA 0.327 4.446 4.120 -0.001 0.000 0.306 4038 V C -0.673 175.497 176.094 0.127 0.000 1.065 4038 V CA -0.814 61.565 62.300 0.132 0.000 0.894 4038 V CB 2.038 33.923 31.823 0.104 0.000 1.004 4038 V HN 0.728 nan 8.190 nan 0.000 0.424 4039 S N 4.211 119.971 115.700 0.100 0.000 2.489 4039 S HA 0.636 5.105 4.470 -0.001 0.000 0.291 4039 S C -0.578 174.076 174.600 0.089 0.000 1.151 4039 S CA -0.395 57.858 58.200 0.089 0.000 1.082 4039 S CB 1.399 64.645 63.200 0.076 0.000 1.019 4039 S HN 0.587 nan 8.310 nan 0.000 0.492 4040 L N 3.864 125.134 121.223 0.079 0.000 2.261 4040 L HA 0.348 4.687 4.340 -0.001 0.000 0.289 4040 L C 0.115 177.107 176.870 0.202 0.000 1.059 4040 L CA -0.111 54.782 54.840 0.088 0.000 0.816 4040 L CB 0.131 42.139 42.059 -0.084 0.000 1.191 4040 L HN 0.627 nan 8.230 nan 0.000 0.431 4041 E N 4.751 125.057 120.200 0.177 0.000 3.102 4041 E HA 0.183 4.532 4.350 -0.001 0.000 0.235 4041 E C 0.937 177.668 176.600 0.218 0.000 0.995 4041 E CA 1.265 57.767 56.400 0.169 0.000 0.950 4041 E CB -0.100 29.683 29.700 0.139 0.000 0.905 4041 E HN 0.979 nan 8.360 nan 0.000 0.553 4042 G N 3.075 111.968 108.800 0.156 0.000 2.336 4042 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.194 4042 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.194 4042 G C -0.277 174.534 174.900 -0.148 0.000 0.999 4042 G CA -0.738 44.376 45.100 0.023 0.000 0.669 4042 G HN 0.381 nan 8.290 nan 0.000 0.482 4043 F N 0.901 120.817 119.950 -0.057 0.000 2.450 4043 F HA 0.789 5.315 4.527 -0.002 0.000 0.332 4043 F C 1.346 177.119 175.800 -0.045 0.000 1.093 4043 F CA -0.137 57.818 58.000 -0.074 0.000 1.003 4043 F CB 1.811 40.749 39.000 -0.103 0.000 1.151 4043 F HN 0.107 nan 8.300 nan 0.000 0.474 4044 A N 1.490 124.364 122.820 0.091 0.000 1.832 4044 A HA -0.107 4.212 4.320 -0.001 0.000 0.214 4044 A C 0.984 178.599 177.584 0.052 0.000 1.204 4044 A CA 0.849 52.911 52.037 0.043 0.000 0.606 4044 A CB -0.677 18.326 19.000 0.005 0.000 0.849 4044 A HN 0.666 nan 8.150 nan 0.000 0.445 4045 Q N 1.481 121.324 119.800 0.072 0.000 2.286 4045 Q HA 0.292 4.631 4.340 -0.001 0.000 0.267 4045 Q C -2.358 173.679 176.000 0.061 0.000 1.028 4045 Q CA -2.075 53.755 55.803 0.047 0.000 0.901 4045 Q CB 0.508 29.284 28.738 0.063 0.000 1.183 4045 Q HN 0.403 nan 8.270 nan 0.000 0.392 4046 P HA 0.093 nan 4.420 nan 0.000 0.276 4046 P C -0.990 176.414 177.300 0.172 0.000 1.244 4046 P CA -0.372 62.769 63.100 0.069 0.000 0.801 4046 P CB 0.958 32.651 31.700 -0.012 0.000 1.006 4047 V N 1.215 121.253 119.914 0.207 0.000 2.481 4047 V HA 0.447 4.566 4.120 -0.001 0.000 0.286 4047 V C 0.675 176.935 176.094 0.276 0.000 1.042 4047 V CA -0.722 61.720 62.300 0.237 0.000 0.928 4047 V CB 0.993 32.926 31.823 0.184 0.000 0.986 4047 V HN 0.751 nan 8.190 nan 0.000 0.462 4048 A N 6.663 129.635 122.820 0.252 0.000 2.309 4048 A HA 0.728 5.047 4.320 -0.001 0.000 0.290 4048 A C -0.397 177.106 177.584 -0.135 0.000 1.206 4048 A CA -0.248 51.758 52.037 -0.051 0.000 0.850 4048 A CB -0.107 18.930 19.000 0.062 0.000 1.118 4048 A HN 0.764 nan 8.150 nan 0.000 0.523 4049 I N 2.198 122.505 120.570 -0.439 0.000 2.404 4049 I HA 0.445 4.614 4.170 -0.001 0.000 0.293 4049 I C -1.232 174.448 176.117 -0.729 0.000 0.992 4049 I CA -0.320 60.708 61.300 -0.455 0.000 1.149 4049 I CB 1.650 39.451 38.000 -0.331 0.000 1.315 4049 I HN 0.548 nan 8.210 nan 0.000 0.446 4050 F N 6.344 126.138 119.950 -0.260 0.000 2.499 4050 F HA 0.526 5.053 4.527 -0.001 0.000 0.333 4050 F C -0.392 175.266 175.800 -0.236 0.000 1.138 4050 F CA -0.525 57.376 58.000 -0.165 0.000 0.945 4050 F CB 1.360 40.352 39.000 -0.014 0.000 1.181 4050 F HN 0.096 nan 8.300 nan 0.000 0.435 4051 L N 2.460 123.616 121.223 -0.111 0.000 2.317 4051 L HA 0.715 5.054 4.340 -0.001 0.000 0.281 4051 L C 0.777 177.583 176.870 -0.108 0.000 1.024 4051 L CA -1.004 53.737 54.840 -0.165 0.000 0.810 4051 L CB 1.684 43.514 42.059 -0.381 0.000 1.240 4051 L HN 0.885 nan 8.230 nan 0.000 0.427 4052 G N 3.340 112.101 108.800 -0.065 0.000 2.298 4052 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.287 4052 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.287 4052 G C -0.205 174.744 174.900 0.082 0.000 1.075 4052 G CA -0.333 44.712 45.100 -0.092 0.000 0.960 4052 G HN 0.478 nan 8.290 nan 0.000 0.502 4053 I N 2.023 122.651 120.570 0.096 0.000 2.371 4053 I HA 0.245 4.415 4.170 -0.001 0.000 0.290 4053 I C -1.454 174.681 176.117 0.030 0.000 1.028 4053 I CA -2.227 59.101 61.300 0.047 0.000 1.345 4053 I CB 1.337 39.285 38.000 -0.087 0.000 1.407 4053 I HN 0.016 nan 8.210 nan 0.000 0.501 4054 P HA 0.062 nan 4.420 nan 0.000 0.281 4054 P C -0.241 176.915 177.300 -0.240 0.000 1.252 4054 P CA -0.099 62.797 63.100 -0.340 0.000 0.778 4054 P CB 0.608 32.135 31.700 -0.289 0.000 0.895 4055 F N 1.249 121.003 119.950 -0.327 0.000 2.682 4055 F HA 0.727 5.253 4.527 -0.001 0.000 0.308 4055 F C 0.132 175.941 175.800 0.016 0.000 1.093 4055 F CA -0.973 56.878 58.000 -0.248 0.000 1.244 4055 F CB 0.026 38.807 39.000 -0.364 0.000 1.052 4055 F HN 0.365 nan 8.300 nan 0.000 0.573 4056 A N 0.481 123.123 122.820 -0.296 0.000 2.588 4056 A HA 0.542 4.861 4.320 -0.001 0.000 0.290 4056 A C -1.283 176.163 177.584 -0.229 0.000 1.136 4056 A CA -1.124 50.825 52.037 -0.147 0.000 0.681 4056 A CB 0.924 19.826 19.000 -0.162 0.000 1.282 4056 A HN 0.170 nan 8.150 nan 0.000 0.421 4057 K N 0.539 120.859 120.400 -0.133 0.000 2.218 4057 K HA 0.460 4.779 4.320 -0.001 0.000 0.276 4057 K C -2.498 173.996 176.600 -0.177 0.000 1.022 4057 K CA -1.637 54.571 56.287 -0.132 0.000 0.946 4057 K CB 0.479 32.935 32.500 -0.073 0.000 1.000 4057 K HN 0.312 nan 8.250 nan 0.000 0.468 4058 P HA -0.018 nan 4.420 nan 0.000 0.260 4058 P C -2.403 174.815 177.300 -0.136 0.000 1.185 4058 P CA -0.805 62.190 63.100 -0.176 0.000 0.763 4058 P CB 0.233 31.858 31.700 -0.125 0.000 0.776 4059 P HA 0.056 nan 4.420 nan 0.000 0.225 4059 P C -0.646 176.576 177.300 -0.131 0.000 1.768 4059 P CA 0.402 63.422 63.100 -0.132 0.000 0.943 4059 P CB -0.003 31.620 31.700 -0.129 0.000 1.936 4060 L N -0.246 120.910 121.223 -0.111 0.000 2.358 4060 L HA 0.608 4.947 4.340 -0.001 0.000 0.268 4060 L C 1.679 178.491 176.870 -0.097 0.000 1.032 4060 L CA -0.330 54.453 54.840 -0.095 0.000 0.805 4060 L CB 0.509 42.524 42.059 -0.073 0.000 1.253 4060 L HN 0.287 nan 8.230 nan 0.000 0.452 4061 G N 1.464 110.211 108.800 -0.090 0.000 2.629 4061 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.313 4061 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.313 4061 G C -1.304 173.536 174.900 -0.099 0.000 1.217 4061 G CA 0.337 45.388 45.100 -0.081 0.000 0.994 4061 G HN 0.624 nan 8.290 nan 0.000 0.549 4062 P HA 0.075 nan 4.420 nan 0.000 0.230 4062 P C 1.925 179.169 177.300 -0.093 0.000 1.158 4062 P CA 1.143 64.209 63.100 -0.056 0.000 0.769 4062 P CB -0.094 31.593 31.700 -0.022 0.000 0.807 4063 L N -1.091 120.060 121.223 -0.120 0.000 2.554 4063 L HA 0.088 4.427 4.340 -0.001 0.000 0.226 4063 L C 1.759 178.476 176.870 -0.256 0.000 1.137 4063 L CA -0.092 54.657 54.840 -0.152 0.000 0.863 4063 L CB -0.440 41.547 42.059 -0.120 0.000 0.985 4063 L HN -0.056 nan 8.230 nan 0.000 0.451 4064 R N 0.697 121.004 120.500 -0.322 0.000 2.537 4064 R HA -0.028 4.312 4.340 -0.001 0.000 0.280 4064 R C -0.186 175.710 176.300 -0.673 0.000 1.058 4064 R CA -0.125 55.617 56.100 -0.596 0.000 1.057 4064 R CB 0.224 30.062 30.300 -0.770 0.000 0.973 4064 R HN 0.056 nan 8.270 nan 0.000 0.438 4065 F N 0.069 119.659 119.950 -0.600 0.000 3.080 4065 F HA -0.268 4.258 4.527 -0.001 0.000 0.292 4065 F C 0.088 174.910 175.800 -1.629 0.000 0.891 4065 F CA 1.343 58.629 58.000 -1.189 0.000 1.086 4065 F CB -2.681 36.089 39.000 -0.384 0.000 1.095 4065 F HN 0.649 nan 8.300 nan 0.000 0.633 4066 T N -3.644 110.203 114.554 -1.179 0.000 2.883 4066 T HA 0.787 5.137 4.350 -0.001 0.000 0.301 4066 T C -2.977 171.544 174.700 -0.299 0.000 1.158 4066 T CA -2.461 59.212 62.100 -0.712 0.000 1.007 4066 T CB 3.334 72.043 68.868 -0.265 0.000 1.186 4066 T HN -0.243 nan 8.240 nan 0.000 0.499 4067 P HA 0.252 nan 4.420 nan 0.000 0.268 4067 P C -2.372 174.998 177.300 0.118 0.000 1.208 4067 P CA -0.894 62.351 63.100 0.240 0.000 0.777 4067 P CB -0.294 31.547 31.700 0.235 0.000 0.875 4068 P HA 0.093 nan 4.420 nan 0.000 0.275 4068 P C -0.818 176.539 177.300 0.096 0.000 1.227 4068 P CA 0.056 63.217 63.100 0.102 0.000 0.781 4068 P CB 0.864 32.663 31.700 0.165 0.000 0.906 4069 Q N 2.594 122.426 119.800 0.054 0.000 2.241 4069 Q HA 0.475 4.815 4.340 -0.001 0.000 0.262 4069 Q C -2.313 173.730 176.000 0.072 0.000 1.014 4069 Q CA -2.204 53.634 55.803 0.058 0.000 0.885 4069 Q CB 0.256 29.008 28.738 0.024 0.000 1.311 4069 Q HN 0.352 nan 8.270 nan 0.000 0.461 4070 P HA -0.004 nan 4.420 nan 0.000 0.269 4070 P C -1.190 176.124 177.300 0.023 0.000 1.209 4070 P CA 0.134 63.310 63.100 0.128 0.000 0.776 4070 P CB 0.438 32.227 31.700 0.148 0.000 0.876 4071 A N 2.468 125.289 122.820 0.002 0.000 2.425 4071 A HA 0.168 4.487 4.320 -0.001 0.000 0.249 4071 A C 0.382 177.779 177.584 -0.311 0.000 1.084 4071 A CA -0.255 51.717 52.037 -0.107 0.000 0.781 4071 A CB -0.130 18.887 19.000 0.029 0.000 1.019 4071 A HN 0.433 nan 8.150 nan 0.000 0.490 4072 E N 2.443 122.562 120.200 -0.136 0.000 2.373 4072 E HA 0.249 4.598 4.350 -0.001 0.000 0.267 4072 E C -2.063 174.491 176.600 -0.076 0.000 1.032 4072 E CA -1.538 54.795 56.400 -0.111 0.000 0.889 4072 E CB 0.277 29.969 29.700 -0.013 0.000 0.984 4072 E HN 0.502 nan 8.360 nan 0.000 0.425 4073 P HA 0.127 nan 4.420 nan 0.000 0.272 4073 P C -0.764 176.572 177.300 0.060 0.000 1.230 4073 P CA -0.237 62.789 63.100 -0.124 0.000 0.788 4073 P CB 0.346 31.984 31.700 -0.103 0.000 0.949 4074 W N 0.203 121.516 121.300 0.022 0.000 2.882 4074 W HA 0.671 5.330 4.660 -0.001 0.000 0.345 4074 W C -1.011 175.466 176.519 -0.069 0.000 1.125 4074 W CA -0.839 56.502 57.345 -0.007 0.000 1.167 4074 W CB 0.221 29.706 29.460 0.042 0.000 1.431 4074 W HN 0.151 nan 8.180 nan 0.000 0.543 4075 S N 1.386 117.125 115.700 0.066 0.000 2.713 4075 S HA 0.695 5.164 4.470 -0.001 0.000 0.283 4075 S C -0.247 174.264 174.600 -0.148 0.000 1.161 4075 S CA -0.296 57.691 58.200 -0.354 0.000 0.999 4075 S CB 0.413 63.051 63.200 -0.937 0.000 1.039 4075 S HN 0.642 nan 8.310 nan 0.000 0.548 4076 F N -1.536 118.516 119.950 0.171 0.000 2.182 4076 F HA -0.267 4.261 4.527 0.001 0.000 0.318 4076 F C -0.096 175.850 175.800 0.243 0.000 0.129 4076 F CA 0.027 58.125 58.000 0.164 0.000 0.911 4076 F CB -1.166 37.911 39.000 0.129 0.000 4.131 4076 F HN 0.331 nan 8.300 nan 0.000 0.140 4077 V N 0.662 120.835 119.914 0.433 0.000 2.417 4077 V HA 0.340 4.459 4.120 -0.001 0.000 0.291 4077 V C -0.054 176.178 176.094 0.230 0.000 1.024 4077 V CA -0.937 61.560 62.300 0.327 0.000 0.861 4077 V CB 1.459 33.414 31.823 0.219 0.000 0.985 4077 V HN 0.489 nan 8.190 nan 0.000 0.436 4078 K N 4.019 124.528 120.400 0.183 0.000 2.297 4078 K HA 0.212 4.531 4.320 -0.001 0.000 0.286 4078 K C 0.034 176.625 176.600 -0.015 0.000 1.053 4078 K CA -0.469 55.752 56.287 -0.110 0.000 0.940 4078 K CB 0.548 32.681 32.500 -0.613 0.000 1.019 4078 K HN 0.693 nan 8.250 nan 0.000 0.475 4079 N N 3.080 121.751 118.700 -0.049 0.000 2.411 4079 N HA 0.096 4.835 4.740 -0.001 0.000 0.259 4079 N C -1.309 174.166 175.510 -0.058 0.000 1.103 4079 N CA -0.001 53.029 53.050 -0.033 0.000 0.954 4079 N CB 1.194 39.650 38.487 -0.051 0.000 1.085 4079 N HN 0.615 nan 8.380 nan 0.000 0.485 4080 A N 2.985 125.797 122.820 -0.013 0.000 3.215 4080 A HA 0.268 4.587 4.320 -0.001 0.000 0.320 4080 A C 0.639 178.156 177.584 -0.112 0.000 1.084 4080 A CA -0.519 51.502 52.037 -0.026 0.000 0.969 4080 A CB -0.486 18.597 19.000 0.137 0.000 1.064 4080 A HN 0.648 nan 8.150 nan 0.000 0.513 4081 T N -2.714 111.741 114.554 -0.165 0.000 3.275 4081 T HA 0.364 4.713 4.350 -0.001 0.000 0.298 4081 T C 0.268 174.801 174.700 -0.278 0.000 0.988 4081 T CA 0.400 62.363 62.100 -0.228 0.000 0.936 4081 T CB -0.582 68.178 68.868 -0.180 0.000 1.159 4081 T HN 0.786 nan 8.240 nan 0.000 0.519 4082 S N 0.494 116.026 115.700 -0.280 0.000 2.526 4082 S HA 0.699 5.168 4.470 -0.001 0.000 0.293 4082 S C -0.998 173.412 174.600 -0.317 0.000 1.092 4082 S CA -0.893 57.141 58.200 -0.278 0.000 0.980 4082 S CB 0.842 63.942 63.200 -0.166 0.000 1.048 4082 S HN 0.207 nan 8.310 nan 0.000 0.483 4083 Y N 3.131 123.367 120.300 -0.107 0.000 2.526 4083 Y HA 0.309 4.858 4.550 -0.001 0.000 0.330 4083 Y C -1.422 174.370 175.900 -0.179 0.000 1.156 4083 Y CA -1.068 56.965 58.100 -0.112 0.000 1.419 4083 Y CB 0.162 38.576 38.460 -0.076 0.000 1.250 4083 Y HN 0.540 nan 8.280 nan 0.000 0.540 4084 P HA 0.170 nan 4.420 nan 0.000 0.276 4084 P C -2.643 174.565 177.300 -0.154 0.000 1.252 4084 P CA -1.588 61.325 63.100 -0.312 0.000 0.802 4084 P CB 0.659 32.034 31.700 -0.542 0.000 1.035 4085 P HA 0.174 nan 4.420 nan 0.000 0.274 4085 P C -0.136 177.123 177.300 -0.068 0.000 1.246 4085 P CA -0.082 62.955 63.100 -0.104 0.000 0.795 4085 P CB 0.438 32.074 31.700 -0.107 0.000 1.006 4086 M N -0.467 119.084 119.600 -0.083 0.000 2.444 4086 M HA 0.443 4.922 4.480 -0.001 0.000 0.319 4086 M C -0.428 175.800 176.300 -0.120 0.000 1.183 4086 M CA -0.658 54.591 55.300 -0.086 0.000 1.032 4086 M CB 0.504 33.036 32.600 -0.114 0.000 1.569 4086 M HN 0.089 nan 8.290 nan 0.000 0.468 4087 c N 1.828 120.352 118.600 -0.127 0.000 2.634 4087 c HA 0.138 4.707 4.570 -0.001 0.000 0.417 4087 c C 0.917 174.831 174.090 -0.293 0.000 1.334 4087 c CA -0.201 56.004 56.329 -0.206 0.000 1.829 4087 c CB -0.421 41.992 42.510 -0.162 0.000 2.665 4087 c HN 0.863 nan 8.230 nan 0.000 0.614 4088 T N 4.536 118.773 114.554 -0.528 0.000 2.891 4088 T HA 0.255 4.604 4.350 -0.001 0.000 0.296 4088 T C 0.003 174.463 174.700 -0.401 0.000 1.025 4088 T CA 0.530 62.244 62.100 -0.644 0.000 1.149 4088 T CB -0.180 67.867 68.868 -1.369 0.000 1.007 4088 T HN 0.894 nan 8.240 nan 0.000 0.528 4089 Q N 0.970 120.676 119.800 -0.157 0.000 2.756 4089 Q HA 0.277 4.616 4.340 -0.001 0.000 0.295 4089 Q C -1.668 174.361 176.000 0.047 0.000 0.903 4089 Q CA -1.150 54.668 55.803 0.025 0.000 0.768 4089 Q CB 0.882 29.624 28.738 0.007 0.000 1.472 4089 Q HN 0.398 nan 8.270 nan 0.000 0.416 4090 D N 2.295 122.751 120.400 0.094 0.000 2.479 4090 D HA 0.010 4.649 4.640 -0.001 0.000 0.257 4090 D C -1.238 175.074 176.300 0.020 0.000 1.230 4090 D CA -1.045 52.997 54.000 0.071 0.000 0.912 4090 D CB 1.086 41.934 40.800 0.081 0.000 1.130 4090 D HN 0.327 nan 8.370 nan 0.000 0.515 4091 P HA -0.147 nan 4.420 nan 0.000 0.218 4091 P C 0.952 178.237 177.300 -0.025 0.000 1.149 4091 P CA 1.092 64.178 63.100 -0.022 0.000 0.817 4091 P CB 0.475 32.161 31.700 -0.023 0.000 0.785 4092 K N 0.080 120.472 120.400 -0.014 0.000 2.031 4092 K HA 0.011 4.330 4.320 -0.001 0.000 0.205 4092 K C 2.465 179.049 176.600 -0.027 0.000 1.049 4092 K CA 1.292 57.568 56.287 -0.019 0.000 0.939 4092 K CB -0.650 31.843 32.500 -0.011 0.000 0.717 4092 K HN -0.009 nan 8.250 nan 0.000 0.438 4093 A N 1.477 124.288 122.820 -0.015 0.000 1.883 4093 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 4093 A C 2.443 180.000 177.584 -0.044 0.000 1.186 4093 A CA 2.077 54.101 52.037 -0.022 0.000 0.624 4093 A CB -1.369 17.636 19.000 0.008 0.000 0.822 4093 A HN 0.436 nan 8.150 nan 0.000 0.444 4094 G N -1.104 107.673 108.800 -0.039 0.000 2.418 4094 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 4094 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 4094 G C 1.656 176.502 174.900 -0.089 0.000 1.158 4094 G CA 1.120 46.182 45.100 -0.064 0.000 0.771 4094 G HN 0.632 nan 8.290 nan 0.000 0.545 4095 Q N -0.593 119.161 119.800 -0.077 0.000 2.119 4095 Q HA -0.037 4.302 4.340 -0.001 0.000 0.201 4095 Q C 2.439 178.387 176.000 -0.087 0.000 0.972 4095 Q CA 0.972 56.724 55.803 -0.085 0.000 0.847 4095 Q CB -0.195 28.503 28.738 -0.067 0.000 0.903 4095 Q HN 0.387 nan 8.270 nan 0.000 0.433 4096 L N 0.691 121.868 121.223 -0.078 0.000 2.012 4096 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 4096 L C 2.147 178.942 176.870 -0.126 0.000 1.073 4096 L CA 1.595 56.388 54.840 -0.079 0.000 0.748 4096 L CB -0.875 41.142 42.059 -0.069 0.000 0.891 4096 L HN 0.394 nan 8.230 nan 0.000 0.431 4097 L N -1.075 120.046 121.223 -0.171 0.000 2.046 4097 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 4097 L C 2.682 179.385 176.870 -0.279 0.000 1.077 4097 L CA 2.138 56.797 54.840 -0.301 0.000 0.747 4097 L CB -1.023 40.874 42.059 -0.271 0.000 0.896 4097 L HN 0.455 nan 8.230 nan 0.000 0.432 4098 S N -0.887 114.701 115.700 -0.186 0.000 2.368 4098 S HA -0.223 4.247 4.470 -0.001 0.000 0.225 4098 S C 1.906 176.418 174.600 -0.147 0.000 1.030 4098 S CA 1.603 59.692 58.200 -0.185 0.000 0.999 4098 S CB -0.294 62.796 63.200 -0.183 0.000 0.844 4098 S HN 0.639 nan 8.310 nan 0.000 0.459 4099 E N 0.309 120.447 120.200 -0.103 0.000 2.077 4099 E HA -0.075 4.275 4.350 -0.001 0.000 0.193 4099 E C 2.053 178.669 176.600 0.027 0.000 0.989 4099 E CA 1.230 57.603 56.400 -0.045 0.000 0.800 4099 E CB -0.187 29.496 29.700 -0.029 0.000 0.746 4099 E HN 0.493 nan 8.360 nan 0.000 0.452 4100 L N -0.357 120.876 121.223 0.016 0.000 2.217 4100 L HA -0.088 4.251 4.340 -0.001 0.000 0.211 4100 L C 1.756 178.859 176.870 0.388 0.000 1.107 4100 L CA 0.501 55.430 54.840 0.148 0.000 0.783 4100 L CB 0.003 42.071 42.059 0.014 0.000 0.919 4100 L HN 0.134 nan 8.230 nan 0.000 0.442 4101 F N -1.107 118.816 119.950 -0.046 0.000 2.717 4101 F HA 0.150 4.676 4.527 -0.002 0.000 0.297 4101 F C 1.591 177.120 175.800 -0.452 0.000 1.113 4101 F CA -0.441 57.414 58.000 -0.241 0.000 1.319 4101 F CB -0.600 38.278 39.000 -0.202 0.000 1.097 4101 F HN -0.187 nan 8.300 nan 0.000 0.595 4102 T N 2.220 116.667 114.554 -0.179 0.000 2.940 4102 T HA -0.033 4.316 4.350 -0.001 0.000 0.309 4102 T C 1.341 175.928 174.700 -0.187 0.000 1.056 4102 T CA -0.012 61.889 62.100 -0.332 0.000 1.137 4102 T CB 0.345 69.056 68.868 -0.262 0.000 0.976 4102 T HN 0.329 nan 8.240 nan 0.000 0.547 4103 N N 4.167 122.697 118.700 -0.282 0.000 2.280 4103 N HA -0.003 4.737 4.740 -0.001 0.000 0.192 4103 N C 0.473 175.886 175.510 -0.161 0.000 1.109 4103 N CA -0.219 52.728 53.050 -0.173 0.000 0.855 4103 N CB -0.060 38.319 38.487 -0.180 0.000 0.974 4103 N HN 0.711 nan 8.380 nan 0.000 0.482 4104 R N 0.188 120.598 120.500 -0.151 0.000 2.528 4104 R HA 0.305 4.644 4.340 -0.001 0.000 0.271 4104 R C 0.944 177.193 176.300 -0.085 0.000 1.056 4104 R CA -0.788 55.250 56.100 -0.103 0.000 1.117 4104 R CB 1.487 31.732 30.300 -0.091 0.000 1.085 4104 R HN -0.165 nan 8.270 nan 0.000 0.530 4105 K N 0.298 120.666 120.400 -0.053 0.000 2.044 4105 K HA -0.212 4.107 4.320 -0.001 0.000 0.210 4105 K C -0.073 176.511 176.600 -0.027 0.000 1.049 4105 K CA 1.893 58.161 56.287 -0.032 0.000 0.927 4105 K CB 0.096 32.593 32.500 -0.006 0.000 0.713 4105 K HN 0.618 nan 8.250 nan 0.000 0.443 4106 E N 0.491 120.671 120.200 -0.034 0.000 2.210 4106 E HA 0.175 4.525 4.350 -0.001 0.000 0.266 4106 E C -1.576 174.982 176.600 -0.069 0.000 0.883 4106 E CA -0.787 55.590 56.400 -0.038 0.000 0.761 4106 E CB 1.305 30.990 29.700 -0.024 0.000 1.156 4106 E HN 0.167 nan 8.360 nan 0.000 0.412 4107 N N 3.209 121.864 118.700 -0.074 0.000 2.513 4107 N HA 0.180 4.919 4.740 -0.001 0.000 0.268 4107 N C -0.720 174.716 175.510 -0.124 0.000 1.180 4107 N CA 0.005 52.987 53.050 -0.112 0.000 0.948 4107 N CB 0.425 38.854 38.487 -0.096 0.000 1.083 4107 N HN 0.496 nan 8.380 nan 0.000 0.455 4108 I N 4.701 125.159 120.570 -0.187 0.000 2.331 4108 I HA 0.285 4.455 4.170 -0.001 0.000 0.292 4108 I C -1.714 174.298 176.117 -0.175 0.000 0.998 4108 I CA -2.006 59.176 61.300 -0.197 0.000 1.267 4108 I CB 1.387 39.172 38.000 -0.357 0.000 1.386 4108 I HN 0.481 nan 8.210 nan 0.000 0.476 4109 P HA 0.207 nan 4.420 nan 0.000 0.271 4109 P C -1.088 176.151 177.300 -0.100 0.000 1.216 4109 P CA 0.042 63.085 63.100 -0.095 0.000 0.771 4109 P CB 1.025 32.686 31.700 -0.064 0.000 0.864 4110 L N 2.097 123.258 121.223 -0.102 0.000 2.354 4110 L HA 0.503 4.842 4.340 -0.001 0.000 0.269 4110 L C 0.591 177.413 176.870 -0.081 0.000 1.005 4110 L CA -1.256 53.526 54.840 -0.095 0.000 0.819 4110 L CB 1.860 43.849 42.059 -0.117 0.000 1.311 4110 L HN 0.210 nan 8.230 nan 0.000 0.423 4111 K N 1.276 121.631 120.400 -0.075 0.000 2.087 4111 K HA 0.624 4.943 4.320 -0.001 0.000 0.255 4111 K C -0.876 175.669 176.600 -0.091 0.000 0.988 4111 K CA -0.229 56.013 56.287 -0.076 0.000 0.915 4111 K CB 0.985 33.441 32.500 -0.072 0.000 1.043 4111 K HN 0.371 nan 8.250 nan 0.000 0.457 4112 L N 0.816 121.981 121.223 -0.096 0.000 2.334 4112 L HA 0.586 4.925 4.340 -0.001 0.000 0.275 4112 L C -0.168 176.618 176.870 -0.140 0.000 1.036 4112 L CA -0.540 54.224 54.840 -0.127 0.000 0.807 4112 L CB 1.799 43.782 42.059 -0.128 0.000 1.231 4112 L HN 0.566 nan 8.230 nan 0.000 0.438 4113 S N 0.138 115.727 115.700 -0.185 0.000 2.586 4113 S HA 0.169 4.638 4.470 -0.001 0.000 0.277 4113 S C -0.046 174.399 174.600 -0.258 0.000 1.131 4113 S CA -0.596 57.493 58.200 -0.184 0.000 0.848 4113 S CB 1.414 64.548 63.200 -0.111 0.000 1.091 4113 S HN 0.750 nan 8.310 nan 0.000 0.453 4114 E N 0.841 120.880 120.200 -0.268 0.000 2.285 4114 E HA -0.017 4.332 4.350 -0.001 0.000 0.194 4114 E C -0.293 176.199 176.600 -0.180 0.000 0.997 4114 E CA 0.319 56.531 56.400 -0.313 0.000 0.845 4114 E CB 0.125 29.681 29.700 -0.240 0.000 0.782 4114 E HN 0.491 nan 8.360 nan 0.000 0.491 4115 D N 0.707 121.042 120.400 -0.109 0.000 2.483 4115 D HA 0.002 4.641 4.640 -0.001 0.000 0.220 4115 D C -0.036 176.311 176.300 0.079 0.000 1.173 4115 D CA -0.349 53.627 54.000 -0.040 0.000 0.964 4115 D CB 0.009 40.813 40.800 0.006 0.000 1.046 4115 D HN 0.168 nan 8.370 nan 0.000 0.517 4116 c N 2.505 121.101 118.600 -0.008 0.000 3.626 4116 c HA 0.391 4.960 4.570 -0.001 0.000 0.276 4116 c C 0.591 174.671 174.090 -0.016 0.000 1.694 4116 c CA -0.709 55.684 56.329 0.108 0.000 1.785 4116 c CB -1.348 41.155 42.510 -0.011 0.000 3.152 4116 c HN 0.428 nan 8.230 nan 0.000 0.571 4117 L N 2.452 123.404 121.223 -0.452 0.000 2.384 4117 L HA 0.408 4.747 4.340 -0.001 0.000 0.258 4117 L C -0.823 175.286 176.870 -1.269 0.000 1.266 4117 L CA 0.448 54.792 54.840 -0.826 0.000 1.162 4117 L CB -0.706 40.761 42.059 -0.987 0.000 1.375 4117 L HN 0.390 nan 8.230 nan 0.000 0.420 4118 Y N 1.888 122.022 120.300 -0.278 0.000 2.605 4118 Y HA 0.701 5.251 4.550 -0.001 0.000 0.343 4118 Y C -0.150 175.881 175.900 0.217 0.000 1.036 4118 Y CA -1.258 56.787 58.100 -0.091 0.000 1.065 4118 Y CB 2.011 40.424 38.460 -0.079 0.000 1.288 4118 Y HN 0.167 nan 8.280 nan 0.000 0.481 4119 L N -0.213 121.189 121.223 0.297 0.000 2.393 4119 L HA 0.751 5.091 4.340 -0.001 0.000 0.260 4119 L C -1.422 175.510 176.870 0.103 0.000 1.002 4119 L CA -1.151 53.810 54.840 0.203 0.000 0.818 4119 L CB 1.767 43.867 42.059 0.068 0.000 1.369 4119 L HN 0.409 nan 8.230 nan 0.000 0.412 4120 N N 1.760 120.548 118.700 0.146 0.000 2.314 4120 N HA 0.713 5.453 4.740 -0.001 0.000 0.304 4120 N C -1.187 174.362 175.510 0.064 0.000 1.073 4120 N CA -0.228 52.870 53.050 0.081 0.000 0.822 4120 N CB 2.584 41.177 38.487 0.176 0.000 1.280 4120 N HN 0.672 nan 8.380 nan 0.000 0.489 4121 I N 1.779 122.294 120.570 -0.092 0.000 2.509 4121 I HA 0.338 4.507 4.170 -0.001 0.000 0.293 4121 I C -1.120 174.917 176.117 -0.134 0.000 1.020 4121 I CA -0.788 60.499 61.300 -0.022 0.000 1.088 4121 I CB 1.268 39.164 38.000 -0.173 0.000 1.267 4121 I HN 0.330 nan 8.210 nan 0.000 0.430 4122 Y N 3.181 123.606 120.300 0.209 0.000 2.363 4122 Y HA 0.387 4.937 4.550 -0.001 0.000 0.325 4122 Y C 0.244 176.273 175.900 0.214 0.000 0.984 4122 Y CA -0.739 57.483 58.100 0.202 0.000 1.248 4122 Y CB 1.960 40.522 38.460 0.170 0.000 1.116 4122 Y HN 0.373 nan 8.280 nan 0.000 0.470 4123 T N 4.943 119.709 114.554 0.353 0.000 2.812 4123 T HA 0.382 4.731 4.350 -0.001 0.000 0.282 4123 T C -2.296 172.569 174.700 0.275 0.000 0.990 4123 T CA -2.362 59.929 62.100 0.319 0.000 0.960 4123 T CB 1.443 70.536 68.868 0.375 0.000 0.948 4123 T HN 0.358 nan 8.240 nan 0.000 0.438 4124 P HA 0.305 nan 4.420 nan 0.000 0.262 4124 P C 0.167 177.566 177.300 0.164 0.000 1.304 4124 P CA -0.192 63.009 63.100 0.168 0.000 0.859 4124 P CB 0.055 31.823 31.700 0.113 0.000 1.310 4125 A N 0.882 123.814 122.820 0.187 0.000 2.351 4125 A HA 0.214 4.533 4.320 -0.001 0.000 0.257 4125 A C -0.066 177.621 177.584 0.172 0.000 1.087 4125 A CA -0.163 51.970 52.037 0.160 0.000 0.798 4125 A CB -0.252 18.844 19.000 0.159 0.000 1.033 4125 A HN -0.000 nan 8.150 nan 0.000 0.488 4126 D N 1.845 122.322 120.400 0.127 0.000 2.393 4126 D HA 0.271 4.910 4.640 -0.001 0.000 0.232 4126 D C 0.754 177.128 176.300 0.124 0.000 1.192 4126 D CA -0.104 53.968 54.000 0.120 0.000 0.882 4126 D CB -0.026 40.818 40.800 0.073 0.000 1.038 4126 D HN 0.387 nan 8.370 nan 0.000 0.499 4127 L N 2.774 124.099 121.223 0.170 0.000 2.549 4127 L HA -0.064 4.276 4.340 -0.001 0.000 0.229 4127 L C 2.242 179.167 176.870 0.091 0.000 1.158 4127 L CA 1.124 56.044 54.840 0.133 0.000 0.842 4127 L CB -0.726 41.437 42.059 0.173 0.000 0.952 4127 L HN 0.538 nan 8.230 nan 0.000 0.452 4128 T N -3.752 110.857 114.554 0.092 0.000 3.067 4128 T HA 0.033 4.382 4.350 -0.001 0.000 0.261 4128 T C 0.882 175.607 174.700 0.041 0.000 1.110 4128 T CA 0.281 62.418 62.100 0.063 0.000 1.113 4128 T CB 0.148 69.051 68.868 0.058 0.000 0.917 4128 T HN 0.231 nan 8.240 nan 0.000 0.499 4129 K N 0.244 120.670 120.400 0.043 0.000 2.316 4129 K HA 0.584 4.903 4.320 -0.001 0.000 0.234 4129 K C -0.802 175.815 176.600 0.028 0.000 1.054 4129 K CA -1.017 55.288 56.287 0.030 0.000 0.879 4129 K CB 1.586 34.105 32.500 0.031 0.000 1.252 4129 K HN -0.053 nan 8.250 nan 0.000 0.471 4130 K N 1.545 121.957 120.400 0.019 0.000 2.211 4130 K HA 0.277 4.596 4.320 -0.001 0.000 0.275 4130 K C -0.946 175.668 176.600 0.023 0.000 1.024 4130 K CA -0.392 55.904 56.287 0.015 0.000 0.887 4130 K CB 0.975 33.476 32.500 0.003 0.000 1.084 4130 K HN 0.454 nan 8.250 nan 0.000 0.463 4131 N N 1.008 119.727 118.700 0.033 0.000 2.328 4131 N HA 0.373 5.112 4.740 -0.001 0.000 0.299 4131 N C -0.888 174.644 175.510 0.037 0.000 1.179 4131 N CA -0.928 52.147 53.050 0.041 0.000 0.793 4131 N CB 1.790 40.315 38.487 0.063 0.000 1.366 4131 N HN 0.332 nan 8.380 nan 0.000 0.493 4132 R N 1.642 122.161 120.500 0.032 0.000 2.674 4132 R HA 0.340 4.679 4.340 -0.001 0.000 0.270 4132 R C -1.278 175.038 176.300 0.027 0.000 1.492 4132 R CA -0.273 55.840 56.100 0.022 0.000 1.624 4132 R CB -0.162 30.139 30.300 0.002 0.000 1.307 4132 R HN 0.516 nan 8.270 nan 0.000 0.683 4133 L N 2.571 123.824 121.223 0.049 0.000 2.418 4133 L HA 0.485 4.824 4.340 -0.001 0.000 0.265 4133 L C -1.749 175.151 176.870 0.050 0.000 1.143 4133 L CA -2.149 52.723 54.840 0.053 0.000 0.809 4133 L CB 0.635 42.741 42.059 0.079 0.000 1.124 4133 L HN 0.210 nan 8.230 nan 0.000 0.456 4134 P HA 0.055 nan 4.420 nan 0.000 0.269 4134 P C -0.871 176.468 177.300 0.066 0.000 1.209 4134 P CA -0.115 63.004 63.100 0.031 0.000 0.776 4134 P CB 1.041 32.746 31.700 0.009 0.000 0.876 4135 V N 4.415 124.379 119.914 0.084 0.000 2.459 4135 V HA 0.395 4.514 4.120 -0.001 0.000 0.295 4135 V C 0.534 176.704 176.094 0.127 0.000 1.029 4135 V CA -0.416 61.959 62.300 0.126 0.000 0.874 4135 V CB 1.314 33.228 31.823 0.151 0.000 0.985 4135 V HN 0.487 nan 8.190 nan 0.000 0.438 4136 M N 4.719 124.410 119.600 0.152 0.000 2.078 4136 M HA 0.484 4.963 4.480 -0.001 0.000 0.320 4136 M C -1.141 175.419 176.300 0.434 0.000 0.969 4136 M CA -0.579 54.816 55.300 0.157 0.000 0.929 4136 M CB 1.948 34.490 32.600 -0.097 0.000 1.504 4136 M HN 0.363 nan 8.290 nan 0.000 0.419 4137 V N 3.617 123.814 119.914 0.471 0.000 2.350 4137 V HA 0.279 4.398 4.120 -0.001 0.000 0.276 4137 V C -0.600 175.814 176.094 0.534 0.000 1.028 4137 V CA -0.550 62.014 62.300 0.440 0.000 0.860 4137 V CB 1.073 33.037 31.823 0.234 0.000 0.990 4137 V HN 0.837 nan 8.190 nan 0.000 0.453 4138 W N 7.143 128.559 121.300 0.193 0.000 2.351 4138 W HA 0.604 5.263 4.660 -0.002 0.000 0.311 4138 W C -1.226 175.203 176.519 -0.150 0.000 1.168 4138 W CA -0.810 56.382 57.345 -0.255 0.000 1.200 4138 W CB 1.219 30.508 29.460 -0.284 0.000 1.221 4138 W HN 0.435 nan 8.180 nan 0.000 0.519 4139 I N 7.026 126.965 120.570 -1.051 0.000 2.382 4139 I HA 0.050 4.219 4.170 -0.001 0.000 0.285 4139 I C 0.298 175.687 176.117 -1.213 0.000 1.007 4139 I CA -0.897 59.908 61.300 -0.824 0.000 1.142 4139 I CB 0.996 38.642 38.000 -0.591 0.000 1.289 4139 I HN 0.457 nan 8.210 nan 0.000 0.453 4140 H N 4.244 122.937 119.070 -0.630 0.000 2.757 4140 H HA 0.579 5.134 4.556 -0.001 0.000 0.370 4140 H C 0.402 175.719 175.328 -0.018 0.000 1.172 4140 H CA -0.408 55.451 56.048 -0.316 0.000 1.426 4140 H CB 0.556 30.418 29.762 0.167 0.000 1.438 4140 H HN 0.578 nan 8.280 nan 0.000 0.612 4141 G N -1.141 107.835 108.800 0.292 0.000 2.532 4141 G HA2 0.477 4.436 3.960 -0.001 0.000 0.291 4141 G HA3 0.477 4.436 3.960 -0.001 0.000 0.291 4141 G C 0.380 175.564 174.900 0.472 0.000 1.349 4141 G CA -0.995 44.299 45.100 0.323 0.000 1.038 4141 G HN 1.498 nan 8.290 nan 0.000 0.518 4142 G N -2.810 106.197 108.800 0.346 0.000 2.207 4142 G HA2 0.400 4.359 3.960 -0.001 0.000 0.193 4142 G HA3 0.400 4.359 3.960 -0.001 0.000 0.193 4142 G C 1.019 176.026 174.900 0.178 0.000 1.050 4142 G CA 0.703 45.956 45.100 0.255 0.000 0.780 4142 G HN 2.320 nan 8.290 nan 0.000 0.504 4143 G N 0.111 109.008 108.800 0.162 0.000 2.258 4143 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.274 4143 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.274 4143 G C 1.165 176.064 174.900 -0.002 0.000 1.021 4143 G CA 0.739 45.883 45.100 0.073 0.000 0.798 4143 G HN 1.778 nan 8.290 nan 0.000 0.507 4144 L N -3.634 117.621 121.223 0.054 0.000 4.625 4144 L HA -0.294 4.045 4.340 -0.001 0.000 0.428 4144 L C 2.023 178.952 176.870 0.098 0.000 1.129 4144 L CA 1.682 56.540 54.840 0.029 0.000 0.978 4144 L CB -1.387 40.380 42.059 -0.486 0.000 2.043 4144 L HN 0.457 nan 8.230 nan 0.000 0.847 4145 M N -1.503 118.154 119.600 0.096 0.000 2.564 4145 M HA 0.318 4.798 4.480 -0.001 0.000 0.254 4145 M C 0.800 177.176 176.300 0.126 0.000 1.299 4145 M CA 1.151 56.516 55.300 0.108 0.000 1.143 4145 M CB 0.569 33.208 32.600 0.065 0.000 1.427 4145 M HN 0.216 nan 8.290 nan 0.000 0.538 4146 V N -2.733 117.249 119.914 0.112 0.000 3.156 4146 V HA 1.053 5.172 4.120 -0.001 0.000 0.310 4146 V C -0.153 175.986 176.094 0.074 0.000 1.234 4146 V CA -0.281 62.059 62.300 0.067 0.000 1.065 4146 V CB 1.156 33.002 31.823 0.038 0.000 1.088 4146 V HN 0.522 nan 8.190 nan 0.000 0.451 4147 G N -0.926 107.843 108.800 -0.052 0.000 2.440 4147 G HA2 0.598 4.557 3.960 -0.001 0.000 0.684 4147 G HA3 0.598 4.557 3.960 -0.001 0.000 0.684 4147 G C -0.626 173.936 174.900 -0.563 0.000 1.309 4147 G CA -0.181 44.776 45.100 -0.239 0.000 0.931 4147 G HN 2.724 nan 8.290 nan 0.000 0.612 4148 A N -1.238 121.107 122.820 -0.791 0.000 2.605 4148 A HA 1.026 5.345 4.320 -0.001 0.000 0.294 4148 A C 0.725 178.206 177.584 -0.172 0.000 1.062 4148 A CA 0.763 52.518 52.037 -0.471 0.000 0.682 4148 A CB 0.824 19.699 19.000 -0.209 0.000 1.278 4148 A HN 2.563 nan 8.150 nan 0.000 0.410 4149 A N 0.328 123.225 122.820 0.128 0.000 1.929 4149 A HA 0.140 4.459 4.320 -0.001 0.000 0.216 4149 A C 1.946 179.718 177.584 0.314 0.000 1.176 4149 A CA 2.246 54.511 52.037 0.381 0.000 0.628 4149 A CB -0.673 18.559 19.000 0.387 0.000 0.816 4149 A HN 1.156 nan 8.150 nan 0.000 0.444 4150 S N -0.105 115.683 115.700 0.147 0.000 2.469 4150 S HA -0.101 4.368 4.470 -0.001 0.000 0.238 4150 S C 1.775 176.274 174.600 -0.168 0.000 0.998 4150 S CA 1.443 59.666 58.200 0.039 0.000 0.957 4150 S CB -0.448 62.708 63.200 -0.073 0.000 0.764 4150 S HN 0.680 nan 8.310 nan 0.000 0.514 4151 T N 0.910 115.335 114.554 -0.215 0.000 2.881 4151 T HA -0.049 4.300 4.350 -0.001 0.000 0.270 4151 T C -0.090 174.175 174.700 -0.724 0.000 1.068 4151 T CA 1.038 62.834 62.100 -0.507 0.000 1.131 4151 T CB -0.214 68.242 68.868 -0.688 0.000 0.871 4151 T HN 0.409 nan 8.240 nan 0.000 0.479 4152 Y N 1.424 121.549 120.300 -0.292 0.000 2.331 4152 Y HA 0.460 5.009 4.550 -0.001 0.000 0.338 4152 Y C -0.000 175.667 175.900 -0.388 0.000 0.976 4152 Y CA -2.094 55.653 58.100 -0.588 0.000 1.137 4152 Y CB 0.603 38.408 38.460 -1.091 0.000 1.172 4152 Y HN -0.123 nan 8.280 nan 0.000 0.478 4153 D N 2.245 122.486 120.400 -0.265 0.000 2.313 4153 D HA 0.203 4.842 4.640 -0.001 0.000 0.239 4153 D C 0.898 176.973 176.300 -0.374 0.000 1.142 4153 D CA -0.095 53.771 54.000 -0.224 0.000 0.847 4153 D CB 1.690 42.435 40.800 -0.091 0.000 1.082 4153 D HN 0.883 nan 8.370 nan 0.000 0.480 4154 G N 3.205 111.338 108.800 -1.112 0.000 2.985 4154 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.209 4154 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.209 4154 G C 1.361 175.997 174.900 -0.439 0.000 1.165 4154 G CA -0.073 44.568 45.100 -0.765 0.000 0.776 4154 G HN 0.486 nan 8.290 nan 0.000 0.541 4155 L N 1.676 122.707 121.223 -0.320 0.000 1.971 4155 L HA -0.060 4.279 4.340 -0.001 0.000 0.215 4155 L C 2.923 179.774 176.870 -0.033 0.000 1.072 4155 L CA 2.639 57.482 54.840 0.006 0.000 0.758 4155 L CB -0.685 41.423 42.059 0.082 0.000 0.889 4155 L HN 0.196 nan 8.230 nan 0.000 0.433 4156 A N -0.906 121.897 122.820 -0.028 0.000 1.877 4156 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 4156 A C 2.243 179.804 177.584 -0.038 0.000 1.186 4156 A CA 1.900 53.928 52.037 -0.014 0.000 0.620 4156 A CB -1.076 17.947 19.000 0.038 0.000 0.822 4156 A HN 0.521 nan 8.150 nan 0.000 0.443 4157 L N -0.155 121.025 121.223 -0.071 0.000 2.017 4157 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 4157 L C 2.660 179.510 176.870 -0.033 0.000 1.073 4157 L CA 2.280 57.064 54.840 -0.092 0.000 0.745 4157 L CB -0.964 41.001 42.059 -0.158 0.000 0.894 4157 L HN 0.344 nan 8.230 nan 0.000 0.432 4158 A N -0.509 122.307 122.820 -0.006 0.000 1.902 4158 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 4158 A C 2.438 180.016 177.584 -0.010 0.000 1.181 4158 A CA 2.007 54.069 52.037 0.043 0.000 0.623 4158 A CB -1.189 17.888 19.000 0.129 0.000 0.818 4158 A HN 0.590 nan 8.150 nan 0.000 0.443 4159 A N -1.007 121.742 122.820 -0.118 0.000 1.873 4159 A HA -0.096 4.223 4.320 -0.001 0.000 0.215 4159 A C 1.986 179.353 177.584 -0.361 0.000 1.186 4159 A CA 1.825 53.654 52.037 -0.347 0.000 0.616 4159 A CB -0.843 17.700 19.000 -0.762 0.000 0.823 4159 A HN 0.638 nan 8.150 nan 0.000 0.442 4160 H N -0.495 118.361 119.070 -0.356 0.000 2.389 4160 H HA 0.027 4.582 4.556 -0.002 0.000 0.299 4160 H C 1.369 176.693 175.328 -0.008 0.000 1.081 4160 H CA 1.580 57.564 56.048 -0.107 0.000 1.345 4160 H CB 0.249 29.893 29.762 -0.196 0.000 1.393 4160 H HN 0.374 nan 8.280 nan 0.000 0.520 4161 E N -0.108 120.142 120.200 0.083 0.000 2.498 4161 E HA 0.036 4.385 4.350 -0.001 0.000 0.203 4161 E C -0.124 176.509 176.600 0.054 0.000 1.013 4161 E CA -0.088 56.350 56.400 0.063 0.000 0.927 4161 E CB 0.192 29.917 29.700 0.041 0.000 1.012 4161 E HN 0.297 nan 8.360 nan 0.000 0.482 4162 N N 0.600 119.332 118.700 0.053 0.000 2.727 4162 N HA -0.165 4.574 4.740 -0.001 0.000 0.251 4162 N C -0.923 174.626 175.510 0.065 0.000 1.040 4162 N CA 0.815 53.902 53.050 0.061 0.000 0.712 4162 N CB -1.339 37.184 38.487 0.061 0.000 0.912 4162 N HN 0.086 nan 8.380 nan 0.000 0.545 4163 V N -3.184 116.772 119.914 0.070 0.000 3.040 4163 V HA 0.803 4.922 4.120 -0.001 0.000 0.312 4163 V C 0.370 176.536 176.094 0.120 0.000 1.115 4163 V CA -1.056 61.291 62.300 0.078 0.000 0.998 4163 V CB 2.297 34.150 31.823 0.050 0.000 1.042 4163 V HN -0.071 nan 8.190 nan 0.000 0.433 4164 V N 3.198 123.198 119.914 0.143 0.000 2.432 4164 V HA 0.390 4.509 4.120 -0.001 0.000 0.271 4164 V C 0.143 176.371 176.094 0.223 0.000 1.046 4164 V CA -0.234 62.184 62.300 0.197 0.000 0.945 4164 V CB 1.192 33.135 31.823 0.200 0.000 0.992 4164 V HN 0.733 nan 8.190 nan 0.000 0.471 4165 V N 6.329 126.416 119.914 0.287 0.000 2.394 4165 V HA 0.452 4.571 4.120 -0.001 0.000 0.282 4165 V C -0.080 176.277 176.094 0.437 0.000 1.031 4165 V CA -0.460 62.050 62.300 0.349 0.000 0.881 4165 V CB 1.726 33.729 31.823 0.301 0.000 0.982 4165 V HN 0.604 nan 8.190 nan 0.000 0.451 4166 V N 4.084 124.244 119.914 0.411 0.000 2.487 4166 V HA 0.574 4.693 4.120 -0.001 0.000 0.298 4166 V C 0.175 176.515 176.094 0.410 0.000 1.028 4166 V CA -0.503 62.014 62.300 0.361 0.000 0.860 4166 V CB 2.123 34.100 31.823 0.257 0.000 0.991 4166 V HN 0.989 nan 8.190 nan 0.000 0.427 4167 T N 3.354 118.157 114.554 0.415 0.000 2.779 4167 T HA 0.814 5.163 4.350 -0.001 0.000 0.280 4167 T C -0.499 174.404 174.700 0.337 0.000 0.987 4167 T CA -0.522 61.840 62.100 0.437 0.000 0.966 4167 T CB 1.352 70.517 68.868 0.496 0.000 0.933 4167 T HN 0.686 nan 8.240 nan 0.000 0.442 4168 I N 0.215 120.961 120.570 0.292 0.000 2.750 4168 I HA 0.672 4.842 4.170 -0.001 0.000 0.308 4168 I C -0.573 175.777 176.117 0.389 0.000 1.016 4168 I CA -1.227 60.233 61.300 0.267 0.000 1.098 4168 I CB 2.017 40.063 38.000 0.077 0.000 1.279 4168 I HN 0.567 nan 8.210 nan 0.000 0.454 4169 Q N 2.423 122.497 119.800 0.457 0.000 2.359 4169 Q HA 0.601 4.941 4.340 -0.001 0.000 0.275 4169 Q C -1.872 174.429 176.000 0.502 0.000 1.082 4169 Q CA -0.831 55.224 55.803 0.420 0.000 0.849 4169 Q CB 2.703 31.620 28.738 0.298 0.000 1.377 4169 Q HN 0.735 nan 8.270 nan 0.000 0.452 4170 Y N -2.846 117.603 120.300 0.248 0.000 2.558 4170 Y HA 0.488 5.038 4.550 -0.001 0.000 0.333 4170 Y C -1.007 174.979 175.900 0.145 0.000 1.125 4170 Y CA -1.399 56.814 58.100 0.187 0.000 1.039 4170 Y CB 0.740 39.261 38.460 0.102 0.000 1.331 4170 Y HN 0.420 nan 8.280 nan 0.000 0.456 4171 R N 2.358 122.971 120.500 0.188 0.000 2.583 4171 R HA 0.349 4.688 4.340 -0.001 0.000 0.274 4171 R C -0.859 175.548 176.300 0.178 0.000 0.998 4171 R CA 0.281 56.452 56.100 0.117 0.000 1.081 4171 R CB 0.217 30.602 30.300 0.142 0.000 0.940 4171 R HN 0.702 nan 8.270 nan 0.000 0.413 4172 L N 1.213 122.561 121.223 0.209 0.000 2.286 4172 L HA 0.504 4.843 4.340 -0.001 0.000 0.265 4172 L C 1.264 178.436 176.870 0.504 0.000 1.012 4172 L CA -0.474 54.577 54.840 0.351 0.000 0.818 4172 L CB 1.618 43.780 42.059 0.171 0.000 1.337 4172 L HN 0.898 nan 8.230 nan 0.000 0.438 4173 G N 0.534 109.622 108.800 0.479 0.000 2.614 4173 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.303 4173 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.303 4173 G C 0.842 175.994 174.900 0.419 0.000 1.270 4173 G CA 0.647 45.974 45.100 0.378 0.000 0.988 4173 G HN 0.646 nan 8.290 nan 0.000 0.551 4174 I N -0.389 120.355 120.570 0.290 0.000 2.163 4174 I HA -0.194 3.975 4.170 -0.001 0.000 0.243 4174 I C 2.830 179.160 176.117 0.355 0.000 1.085 4174 I CA 2.344 63.749 61.300 0.176 0.000 1.347 4174 I CB -0.342 37.514 38.000 -0.239 0.000 1.044 4174 I HN 0.554 nan 8.210 nan 0.000 0.408 4175 W N 0.624 122.115 121.300 0.319 0.000 2.363 4175 W HA -0.090 4.570 4.660 -0.001 0.000 0.296 4175 W C 2.363 179.034 176.519 0.254 0.000 1.212 4175 W CA 1.240 58.702 57.345 0.195 0.000 1.260 4175 W CB -0.830 28.644 29.460 0.022 0.000 1.131 4175 W HN 0.239 nan 8.180 nan 0.000 0.530 4176 G N -2.164 106.898 108.800 0.436 0.000 2.796 4176 G HA2 0.029 3.988 3.960 -0.001 0.000 0.210 4176 G HA3 0.029 3.988 3.960 -0.001 0.000 0.210 4176 G C 0.668 175.244 174.900 -0.541 0.000 1.146 4176 G CA 0.125 45.221 45.100 -0.006 0.000 0.779 4176 G HN 0.139 nan 8.290 nan 0.000 0.535 4177 F N -0.994 119.178 119.950 0.369 0.000 2.880 4177 F HA 0.408 4.934 4.527 -0.001 0.000 0.328 4177 F C 0.185 176.065 175.800 0.132 0.000 1.146 4177 F CA -1.654 56.427 58.000 0.135 0.000 1.135 4177 F CB 0.243 39.249 39.000 0.010 0.000 1.151 4177 F HN -0.015 nan 8.300 nan 0.000 0.523 4178 F N 2.089 122.218 119.950 0.298 0.000 2.578 4178 F HA 0.345 4.871 4.527 -0.001 0.000 0.381 4178 F C 0.489 176.343 175.800 0.090 0.000 1.069 4178 F CA 0.453 58.516 58.000 0.105 0.000 1.231 4178 F CB 0.474 39.387 39.000 -0.146 0.000 1.086 4178 F HN -0.081 nan 8.300 nan 0.000 0.564 4179 S N 3.508 118.729 115.700 -0.798 0.000 2.571 4179 S HA 0.332 4.801 4.470 -0.001 0.000 0.284 4179 S C 0.323 174.518 174.600 -0.675 0.000 1.128 4179 S CA -0.091 57.774 58.200 -0.558 0.000 0.970 4179 S CB 1.392 64.411 63.200 -0.301 0.000 1.039 4179 S HN 0.812 nan 8.310 nan 0.000 0.485 4180 T N 0.712 115.025 114.554 -0.401 0.000 3.086 4180 T HA 0.387 4.736 4.350 -0.001 0.000 0.250 4180 T C 1.432 176.060 174.700 -0.120 0.000 1.074 4180 T CA 0.563 62.523 62.100 -0.232 0.000 0.988 4180 T CB -0.048 68.794 68.868 -0.044 0.000 0.988 4180 T HN 1.758 nan 8.240 nan 0.000 0.530 4181 G N 2.189 110.911 108.800 -0.130 0.000 2.148 4181 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.254 4181 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.254 4181 G C -0.277 174.591 174.900 -0.053 0.000 0.981 4181 G CA 0.427 45.474 45.100 -0.088 0.000 0.670 4181 G HN 0.970 nan 8.290 nan 0.000 0.528 4182 D N -2.484 117.895 120.400 -0.035 0.000 2.812 4182 D HA 0.428 5.067 4.640 -0.001 0.000 0.318 4182 D C 1.283 177.559 176.300 -0.041 0.000 1.234 4182 D CA 0.000 53.981 54.000 -0.033 0.000 0.989 4182 D CB -0.342 40.452 40.800 -0.010 0.000 1.442 4182 D HN 0.108 nan 8.370 nan 0.000 0.537 4183 E N -0.259 119.866 120.200 -0.124 0.000 2.268 4183 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 4183 E C 0.956 177.492 176.600 -0.107 0.000 0.995 4183 E CA 1.219 57.538 56.400 -0.136 0.000 0.836 4183 E CB -0.604 28.976 29.700 -0.199 0.000 0.763 4183 E HN 0.530 nan 8.360 nan 0.000 0.491 4184 H N 0.465 119.598 119.070 0.105 0.000 2.495 4184 H HA 0.142 4.697 4.556 -0.002 0.000 0.287 4184 H C 0.385 175.834 175.328 0.202 0.000 1.033 4184 H CA 1.189 57.315 56.048 0.130 0.000 1.307 4184 H CB 0.400 30.223 29.762 0.101 0.000 1.401 4184 H HN 0.101 nan 8.280 nan 0.000 0.555 4185 S N -0.274 115.608 115.700 0.303 0.000 2.769 4185 S HA 0.202 4.671 4.470 -0.001 0.000 0.150 4185 S C 0.830 175.577 174.600 0.246 0.000 1.034 4185 S CA -0.585 57.882 58.200 0.444 0.000 1.096 4185 S CB 0.285 63.701 63.200 0.359 0.000 1.567 4185 S HN 0.168 nan 8.310 nan 0.000 0.435 4186 R N 1.563 122.175 120.500 0.186 0.000 2.083 4186 R HA 0.144 4.483 4.340 -0.001 0.000 0.237 4186 R C 1.419 177.497 176.300 -0.369 0.000 1.137 4186 R CA 1.371 57.401 56.100 -0.117 0.000 0.951 4186 R CB -0.242 29.980 30.300 -0.131 0.000 0.851 4186 R HN 0.843 nan 8.270 nan 0.000 0.434 4187 G N -0.669 107.592 108.800 -0.898 0.000 2.409 4187 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.421 4187 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.421 4187 G C -0.707 173.417 174.900 -1.293 0.000 1.259 4187 G CA -0.388 44.081 45.100 -1.052 0.000 1.011 4187 G HN 0.247 nan 8.290 nan 0.000 0.497 4188 N N -1.039 117.260 118.700 -0.667 0.000 2.714 4188 N HA -0.205 4.535 4.740 -0.001 0.000 0.250 4188 N C 1.133 176.368 175.510 -0.459 0.000 1.117 4188 N CA 1.976 54.824 53.050 -0.336 0.000 0.719 4188 N CB -1.551 36.907 38.487 -0.047 0.000 1.081 4188 N HN 0.711 nan 8.380 nan 0.000 0.557 4189 W N 0.187 121.350 121.300 -0.227 0.000 2.350 4189 W HA -0.077 4.582 4.660 -0.001 0.000 0.289 4189 W C 2.412 178.797 176.519 -0.224 0.000 1.215 4189 W CA 0.677 57.932 57.345 -0.149 0.000 1.236 4189 W CB -0.525 28.894 29.460 -0.069 0.000 1.130 4189 W HN 0.302 nan 8.180 nan 0.000 0.541 4190 G N -0.498 108.030 108.800 -0.453 0.000 2.422 4190 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 4190 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 4190 G C 1.219 176.065 174.900 -0.090 0.000 1.140 4190 G CA 0.979 45.932 45.100 -0.244 0.000 0.775 4190 G HN 0.295 nan 8.290 nan 0.000 0.545 4191 H N 0.259 119.315 119.070 -0.023 0.000 2.428 4191 H HA 0.138 4.693 4.556 -0.001 0.000 0.296 4191 H C 2.636 177.962 175.328 -0.003 0.000 1.062 4191 H CA 0.541 56.576 56.048 -0.022 0.000 1.350 4191 H CB -0.097 29.669 29.762 0.007 0.000 1.403 4191 H HN 0.274 nan 8.280 nan 0.000 0.533 4192 L N 0.445 121.758 121.223 0.149 0.000 2.141 4192 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 4192 L C 1.894 178.869 176.870 0.175 0.000 1.094 4192 L CA 0.858 55.792 54.840 0.158 0.000 0.763 4192 L CB -0.154 42.028 42.059 0.205 0.000 0.908 4192 L HN 0.108 nan 8.230 nan 0.000 0.437 4193 D N -0.137 120.383 120.400 0.200 0.000 2.149 4193 D HA -0.165 4.474 4.640 -0.001 0.000 0.201 4193 D C 2.247 178.636 176.300 0.150 0.000 0.972 4193 D CA 0.997 55.174 54.000 0.295 0.000 0.835 4193 D CB -0.086 40.943 40.800 0.381 0.000 0.966 4193 D HN 0.397 nan 8.370 nan 0.000 0.476 4194 Q N 0.323 120.156 119.800 0.054 0.000 2.084 4194 Q HA -0.089 4.251 4.340 -0.001 0.000 0.202 4194 Q C 2.394 178.352 176.000 -0.069 0.000 0.978 4194 Q CA 0.805 56.562 55.803 -0.078 0.000 0.844 4194 Q CB 0.032 28.685 28.738 -0.142 0.000 0.898 4194 Q HN 0.121 nan 8.270 nan 0.000 0.426 4195 V N 0.848 120.770 119.914 0.013 0.000 2.343 4195 V HA -0.277 3.842 4.120 -0.001 0.000 0.247 4195 V C 2.240 178.363 176.094 0.048 0.000 1.051 4195 V CA 1.796 64.122 62.300 0.044 0.000 1.036 4195 V CB -0.939 30.932 31.823 0.081 0.000 0.654 4195 V HN 0.421 nan 8.190 nan 0.000 0.451 4196 A N -0.042 122.826 122.820 0.080 0.000 1.933 4196 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 4196 A C 2.417 180.003 177.584 0.004 0.000 1.175 4196 A CA 2.128 54.249 52.037 0.141 0.000 0.628 4196 A CB -0.752 18.430 19.000 0.304 0.000 0.814 4196 A HN 0.576 nan 8.150 nan 0.000 0.444 4197 A N -0.313 122.260 122.820 -0.411 0.000 1.902 4197 A HA -0.030 4.289 4.320 -0.001 0.000 0.217 4197 A C 2.141 179.649 177.584 -0.126 0.000 1.181 4197 A CA 1.478 53.075 52.037 -0.733 0.000 0.623 4197 A CB -0.578 17.781 19.000 -1.069 0.000 0.818 4197 A HN 0.474 nan 8.150 nan 0.000 0.443 4198 L N -1.239 119.952 121.223 -0.053 0.000 2.141 4198 L HA -0.137 4.202 4.340 -0.001 0.000 0.209 4198 L C 2.711 179.644 176.870 0.104 0.000 1.094 4198 L CA 1.389 56.263 54.840 0.057 0.000 0.763 4198 L CB -0.350 41.748 42.059 0.064 0.000 0.908 4198 L HN 0.339 nan 8.230 nan 0.000 0.437 4199 R N -0.278 120.286 120.500 0.107 0.000 2.092 4199 R HA -0.218 4.121 4.340 -0.001 0.000 0.231 4199 R C 2.012 178.392 176.300 0.134 0.000 1.119 4199 R CA 1.453 57.618 56.100 0.109 0.000 0.970 4199 R CB -0.864 29.508 30.300 0.119 0.000 0.864 4199 R HN 0.408 nan 8.270 nan 0.000 0.440 4200 W N -0.229 121.091 121.300 0.034 0.000 2.358 4200 W HA -0.163 4.496 4.660 -0.002 0.000 0.303 4200 W C 1.710 178.257 176.519 0.047 0.000 1.208 4200 W CA 1.730 59.114 57.345 0.066 0.000 1.274 4200 W CB -0.234 29.297 29.460 0.118 0.000 1.138 4200 W HN -0.079 nan 8.180 nan 0.000 0.515 4201 V N 0.579 120.698 119.914 0.342 0.000 2.332 4201 V HA -0.357 3.762 4.120 -0.001 0.000 0.248 4201 V C 2.284 178.382 176.094 0.007 0.000 1.055 4201 V CA 2.368 64.795 62.300 0.212 0.000 1.038 4201 V CB -1.150 30.815 31.823 0.237 0.000 0.651 4201 V HN 0.212 nan 8.190 nan 0.000 0.450 4202 Q N 0.139 119.950 119.800 0.018 0.000 2.084 4202 Q HA -0.202 4.137 4.340 -0.001 0.000 0.202 4202 Q C 1.785 177.727 176.000 -0.096 0.000 0.978 4202 Q CA 1.983 57.781 55.803 -0.009 0.000 0.844 4202 Q CB -0.297 28.449 28.738 0.013 0.000 0.898 4202 Q HN 0.652 nan 8.270 nan 0.000 0.426 4203 D N -1.076 119.214 120.400 -0.183 0.000 2.277 4203 D HA -0.009 4.630 4.640 -0.001 0.000 0.208 4203 D C 0.790 176.855 176.300 -0.392 0.000 0.962 4203 D CA 0.650 54.490 54.000 -0.266 0.000 0.865 4203 D CB 0.125 40.754 40.800 -0.285 0.000 0.939 4203 D HN 0.352 nan 8.370 nan 0.000 0.510 4204 N N -0.291 118.069 118.700 -0.566 0.000 2.266 4204 N HA 0.024 4.763 4.740 -0.001 0.000 0.217 4204 N C 1.523 176.908 175.510 -0.209 0.000 1.211 4204 N CA -0.192 52.507 53.050 -0.585 0.000 0.881 4204 N CB 0.972 38.663 38.487 -1.327 0.000 1.153 4204 N HN -0.014 nan 8.380 nan 0.000 0.489 4205 I N 2.735 123.235 120.570 -0.116 0.000 2.423 4205 I HA -0.180 3.989 4.170 -0.001 0.000 0.254 4205 I C 2.238 178.448 176.117 0.154 0.000 1.151 4205 I CA 0.729 62.109 61.300 0.134 0.000 1.421 4205 I CB -0.276 37.795 38.000 0.119 0.000 1.079 4205 I HN 0.075 nan 8.210 nan 0.000 0.431 4206 A N -1.010 121.830 122.820 0.034 0.000 1.978 4206 A HA -0.213 4.106 4.320 -0.001 0.000 0.220 4206 A C 2.429 180.008 177.584 -0.009 0.000 1.170 4206 A CA 2.098 54.142 52.037 0.012 0.000 0.636 4206 A CB -0.935 18.045 19.000 -0.034 0.000 0.810 4206 A HN 0.459 nan 8.150 nan 0.000 0.448 4207 S N -1.136 114.523 115.700 -0.068 0.000 2.474 4207 S HA -0.008 4.461 4.470 -0.001 0.000 0.235 4207 S C 0.713 175.090 174.600 -0.373 0.000 0.997 4207 S CA 0.819 58.870 58.200 -0.249 0.000 0.949 4207 S CB -0.374 62.584 63.200 -0.404 0.000 0.766 4207 S HN 0.578 nan 8.310 nan 0.000 0.517 4208 F N 0.733 120.665 119.950 -0.030 0.000 2.639 4208 F HA 0.381 4.907 4.527 -0.002 0.000 0.300 4208 F C 1.625 177.467 175.800 0.070 0.000 1.109 4208 F CA -0.107 57.900 58.000 0.012 0.000 1.335 4208 F CB 0.011 39.020 39.000 0.014 0.000 1.014 4208 F HN 0.222 nan 8.300 nan 0.000 0.537 4209 G N 0.329 109.222 108.800 0.154 0.000 2.143 4209 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.249 4209 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.249 4209 G C 0.569 175.545 174.900 0.127 0.000 0.981 4209 G CA -0.150 45.026 45.100 0.127 0.000 0.665 4209 G HN 0.754 nan 8.290 nan 0.000 0.528 4210 G N -0.658 108.229 108.800 0.145 0.000 2.437 4210 G HA2 0.508 4.467 3.960 -0.001 0.000 0.319 4210 G HA3 0.508 4.467 3.960 -0.001 0.000 0.319 4210 G C -0.343 174.600 174.900 0.072 0.000 1.158 4210 G CA -0.186 44.985 45.100 0.119 0.000 0.899 4210 G HN 0.453 nan 8.290 nan 0.000 0.502 4211 N N 1.423 120.153 118.700 0.051 0.000 2.462 4211 N HA 0.279 5.018 4.740 -0.001 0.000 0.242 4211 N C -1.151 174.368 175.510 0.016 0.000 1.010 4211 N CA -2.494 50.563 53.050 0.013 0.000 0.939 4211 N CB 1.927 40.404 38.487 -0.017 0.000 1.127 4211 N HN 0.103 nan 8.380 nan 0.000 0.509 4212 P HA -0.020 nan 4.420 nan 0.000 0.228 4212 P C 0.896 178.228 177.300 0.054 0.000 1.151 4212 P CA 0.680 63.811 63.100 0.052 0.000 0.770 4212 P CB 0.133 31.846 31.700 0.022 0.000 0.786 4213 G N -0.838 107.914 108.800 -0.080 0.000 2.920 4213 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.208 4213 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.208 4213 G C 0.509 174.975 174.900 -0.724 0.000 1.159 4213 G CA 0.145 45.062 45.100 -0.304 0.000 0.784 4213 G HN 0.360 nan 8.290 nan 0.000 0.535 4214 S N 0.017 115.513 115.700 -0.340 0.000 2.386 4214 S HA 0.454 4.923 4.470 -0.001 0.000 0.152 4214 S C -0.953 173.706 174.600 0.098 0.000 1.511 4214 S CA -0.424 57.645 58.200 -0.217 0.000 1.246 4214 S CB 0.442 63.555 63.200 -0.144 0.000 1.338 4214 S HN -0.052 nan 8.310 nan 0.000 0.409 4215 V N 3.362 123.529 119.914 0.423 0.000 2.398 4215 V HA 0.552 4.671 4.120 -0.001 0.000 0.286 4215 V C 0.259 176.516 176.094 0.272 0.000 1.026 4215 V CA -0.393 62.091 62.300 0.307 0.000 0.868 4215 V CB 1.815 33.814 31.823 0.294 0.000 0.982 4215 V HN 0.662 nan 8.190 nan 0.000 0.443 4216 T N 6.445 121.105 114.554 0.175 0.000 2.779 4216 T HA 0.620 4.969 4.350 -0.001 0.000 0.280 4216 T C -0.181 174.624 174.700 0.175 0.000 0.987 4216 T CA -0.171 62.014 62.100 0.141 0.000 0.966 4216 T CB 0.844 69.731 68.868 0.032 0.000 0.933 4216 T HN 0.608 nan 8.240 nan 0.000 0.442 4217 I N 1.702 122.352 120.570 0.135 0.000 2.392 4217 I HA 0.872 5.041 4.170 -0.001 0.000 0.295 4217 I C -0.904 175.383 176.117 0.284 0.000 0.985 4217 I CA -1.063 60.312 61.300 0.125 0.000 1.221 4217 I CB 1.086 38.943 38.000 -0.238 0.000 1.366 4217 I HN 0.472 nan 8.210 nan 0.000 0.467 4218 F N 2.904 122.876 119.950 0.037 0.000 2.631 4218 F HA 1.011 5.537 4.527 -0.002 0.000 0.308 4218 F C -0.448 175.278 175.800 -0.124 0.000 1.097 4218 F CA -1.587 56.471 58.000 0.097 0.000 0.952 4218 F CB 1.338 40.531 39.000 0.321 0.000 1.307 4218 F HN 0.836 nan 8.300 nan 0.000 0.450 4219 G N 0.861 109.474 108.800 -0.311 0.000 2.601 4219 G HA2 0.492 4.451 3.960 -0.001 0.000 0.291 4219 G HA3 0.492 4.451 3.960 -0.001 0.000 0.291 4219 G C -2.551 172.070 174.900 -0.464 0.000 1.456 4219 G CA -0.789 43.707 45.100 -1.007 0.000 0.804 4219 G HN 0.879 nan 8.290 nan 0.000 0.499 4220 E N 0.361 120.270 120.200 -0.486 0.000 2.238 4220 E HA 0.642 4.992 4.350 -0.001 0.000 0.267 4220 E C 0.656 177.253 176.600 -0.005 0.000 0.887 4220 E CA 0.284 56.643 56.400 -0.068 0.000 0.769 4220 E CB 2.136 31.894 29.700 0.098 0.000 1.187 4220 E HN 0.853 nan 8.360 nan 0.000 0.416 4221 S N 2.691 118.458 115.700 0.112 0.000 4.139 4221 S HA -0.389 4.080 4.470 -0.001 0.000 0.603 4221 S C 1.442 176.144 174.600 0.171 0.000 1.897 4221 S CA 2.058 60.432 58.200 0.290 0.000 4.241 4221 S CB -1.629 61.840 63.200 0.449 0.000 0.221 4221 S HN 0.964 nan 8.310 nan 0.000 0.488 4222 A N 0.987 123.901 122.820 0.156 0.000 2.019 4222 A HA 0.188 4.507 4.320 -0.001 0.000 0.219 4222 A C 2.368 179.929 177.584 -0.038 0.000 1.164 4222 A CA 2.302 54.375 52.037 0.060 0.000 0.644 4222 A CB -1.407 17.642 19.000 0.081 0.000 0.805 4222 A HN 1.513 nan 8.150 nan 0.000 0.449 4223 G N -0.748 107.993 108.800 -0.099 0.000 2.421 4223 G HA2 0.122 4.081 3.960 -0.001 0.000 0.217 4223 G HA3 0.122 4.081 3.960 -0.001 0.000 0.217 4223 G C 1.423 176.164 174.900 -0.264 0.000 1.143 4223 G CA 1.075 45.992 45.100 -0.304 0.000 0.784 4223 G HN 0.632 nan 8.290 nan 0.000 0.541 4224 G N 0.281 108.999 108.800 -0.137 0.000 2.403 4224 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.216 4224 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.216 4224 G C 1.524 176.396 174.900 -0.048 0.000 1.154 4224 G CA 1.018 46.080 45.100 -0.062 0.000 0.784 4224 G HN 0.416 nan 8.290 nan 0.000 0.538 4225 E N 1.035 121.213 120.200 -0.037 0.000 2.077 4225 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 4225 E C 2.575 179.113 176.600 -0.104 0.000 0.989 4225 E CA 1.236 57.604 56.400 -0.054 0.000 0.800 4225 E CB -0.229 29.447 29.700 -0.040 0.000 0.746 4225 E HN 0.332 nan 8.360 nan 0.000 0.452 4226 S N 0.272 115.905 115.700 -0.111 0.000 2.359 4226 S HA -0.143 4.327 4.470 -0.001 0.000 0.224 4226 S C 2.152 176.614 174.600 -0.230 0.000 1.035 4226 S CA 1.253 59.366 58.200 -0.145 0.000 1.018 4226 S CB -0.338 62.740 63.200 -0.202 0.000 0.876 4226 S HN 0.147 nan 8.310 nan 0.000 0.448 4227 V N 1.275 121.049 119.914 -0.233 0.000 2.332 4227 V HA -0.188 3.931 4.120 -0.001 0.000 0.248 4227 V C 2.598 178.528 176.094 -0.273 0.000 1.055 4227 V CA 2.058 64.189 62.300 -0.280 0.000 1.038 4227 V CB -0.817 30.893 31.823 -0.188 0.000 0.651 4227 V HN 0.550 nan 8.190 nan 0.000 0.450 4228 S N -0.715 114.890 115.700 -0.158 0.000 2.368 4228 S HA -0.165 4.304 4.470 -0.001 0.000 0.225 4228 S C 1.966 176.448 174.600 -0.197 0.000 1.030 4228 S CA 1.813 59.938 58.200 -0.125 0.000 0.999 4228 S CB -0.164 63.016 63.200 -0.033 0.000 0.844 4228 S HN 0.337 nan 8.310 nan 0.000 0.459 4229 V N 2.026 121.802 119.914 -0.229 0.000 2.343 4229 V HA -0.123 3.996 4.120 -0.001 0.000 0.247 4229 V C 2.342 178.292 176.094 -0.240 0.000 1.051 4229 V CA 1.729 63.864 62.300 -0.276 0.000 1.036 4229 V CB -0.635 30.911 31.823 -0.460 0.000 0.654 4229 V HN 0.476 nan 8.190 nan 0.000 0.451 4230 L N -0.608 120.473 121.223 -0.236 0.000 2.083 4230 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 4230 L C 2.435 179.312 176.870 0.011 0.000 1.083 4230 L CA 0.966 55.729 54.840 -0.129 0.000 0.752 4230 L CB -0.625 41.287 42.059 -0.245 0.000 0.899 4230 L HN 0.192 nan 8.230 nan 0.000 0.433 4231 V N 0.119 119.986 119.914 -0.079 0.000 2.490 4231 V HA -0.242 3.877 4.120 -0.001 0.000 0.250 4231 V C 2.009 177.964 176.094 -0.233 0.000 1.061 4231 V CA 1.451 63.753 62.300 0.004 0.000 1.064 4231 V CB -0.253 31.418 31.823 -0.253 0.000 0.670 4231 V HN 0.397 nan 8.190 nan 0.000 0.461 4232 L N -0.746 120.347 121.223 -0.216 0.000 2.607 4232 L HA 0.207 4.546 4.340 -0.001 0.000 0.228 4232 L C 0.950 177.713 176.870 -0.178 0.000 1.123 4232 L CA 0.139 54.879 54.840 -0.166 0.000 0.890 4232 L CB 0.226 42.209 42.059 -0.127 0.000 1.103 4232 L HN 0.208 nan 8.230 nan 0.000 0.468 4233 S N 0.496 116.069 115.700 -0.211 0.000 2.451 4233 S HA 0.358 4.827 4.470 -0.001 0.000 0.301 4233 S C -1.500 173.095 174.600 -0.008 0.000 1.116 4233 S CA -1.562 56.582 58.200 -0.093 0.000 1.093 4233 S CB 1.321 64.494 63.200 -0.044 0.000 1.017 4233 S HN -0.080 nan 8.310 nan 0.000 0.482 4234 P HA -0.045 nan 4.420 nan 0.000 0.223 4234 P C 1.386 178.774 177.300 0.146 0.000 1.151 4234 P CA 0.771 63.954 63.100 0.138 0.000 0.787 4234 P CB 0.037 31.776 31.700 0.066 0.000 0.788 4235 L N -0.662 120.626 121.223 0.108 0.000 2.275 4235 L HA -0.032 4.307 4.340 -0.001 0.000 0.215 4235 L C 2.303 179.249 176.870 0.127 0.000 1.119 4235 L CA 1.199 56.097 54.840 0.097 0.000 0.790 4235 L CB -0.823 41.282 42.059 0.076 0.000 0.919 4235 L HN -0.042 nan 8.230 nan 0.000 0.443 4236 A N -0.581 122.375 122.820 0.228 0.000 2.379 4236 A HA 0.094 4.413 4.320 -0.001 0.000 0.236 4236 A C 0.661 178.281 177.584 0.061 0.000 1.272 4236 A CA -0.257 51.948 52.037 0.280 0.000 0.886 4236 A CB -0.200 19.100 19.000 0.500 0.000 0.962 4236 A HN 0.159 nan 8.150 nan 0.000 0.504 4237 K N 1.501 121.847 120.400 -0.090 0.000 2.448 4237 K HA 0.082 4.402 4.320 -0.001 0.000 0.278 4237 K C -0.045 176.352 176.600 -0.338 0.000 1.009 4237 K CA 0.110 56.112 56.287 -0.476 0.000 0.995 4237 K CB 0.159 32.516 32.500 -0.238 0.000 0.917 4237 K HN 0.401 nan 8.250 nan 0.000 0.481 4238 N N 0.954 119.379 118.700 -0.459 0.000 2.909 4238 N HA -0.205 4.534 4.740 -0.001 0.000 0.242 4238 N C 0.313 175.664 175.510 -0.266 0.000 0.975 4238 N CA 0.944 53.810 53.050 -0.307 0.000 0.921 4238 N CB -1.180 37.215 38.487 -0.153 0.000 1.112 4238 N HN 0.522 nan 8.380 nan 0.000 0.581 4239 L N -0.958 120.096 121.223 -0.282 0.000 2.554 4239 L HA 0.257 4.596 4.340 -0.001 0.000 0.225 4239 L C 0.363 177.238 176.870 0.008 0.000 1.104 4239 L CA 0.347 55.157 54.840 -0.049 0.000 0.866 4239 L CB -0.021 42.117 42.059 0.130 0.000 1.047 4239 L HN 0.176 nan 8.230 nan 0.000 0.468 4240 F N -4.179 115.523 119.950 -0.413 0.000 2.713 4240 F HA 0.432 4.958 4.527 -0.001 0.000 0.311 4240 F C 0.067 175.437 175.800 -0.716 0.000 1.141 4240 F CA -1.115 56.630 58.000 -0.425 0.000 0.939 4240 F CB 0.847 39.761 39.000 -0.142 0.000 1.325 4240 F HN -0.109 nan 8.300 nan 0.000 0.453 4241 H N -0.983 118.126 119.070 0.064 0.000 3.058 4241 H HA 0.545 5.100 4.556 -0.002 0.000 0.266 4241 H C -0.581 174.748 175.328 0.002 0.000 1.135 4241 H CA -0.413 55.605 56.048 -0.049 0.000 1.174 4241 H CB 0.659 30.382 29.762 -0.065 0.000 1.581 4241 H HN 0.449 nan 8.280 nan 0.000 0.553 4242 R N 0.270 120.889 120.500 0.198 0.000 2.710 4242 R HA 0.792 5.131 4.340 -0.001 0.000 0.270 4242 R C -1.515 174.946 176.300 0.268 0.000 1.021 4242 R CA -0.466 55.694 56.100 0.098 0.000 0.889 4242 R CB 2.004 32.170 30.300 -0.223 0.000 1.243 4242 R HN 0.164 nan 8.270 nan 0.000 0.464 4243 A N 1.878 124.893 122.820 0.324 0.000 2.515 4243 A HA 0.824 5.144 4.320 -0.001 0.000 0.298 4243 A C -1.356 176.462 177.584 0.391 0.000 1.059 4243 A CA -0.626 51.533 52.037 0.202 0.000 0.698 4243 A CB 1.219 20.123 19.000 -0.160 0.000 1.289 4243 A HN 0.561 nan 8.150 nan 0.000 0.404 4244 I N 1.288 122.024 120.570 0.277 0.000 2.512 4244 I HA 0.336 4.505 4.170 -0.001 0.000 0.287 4244 I C -0.314 175.943 176.117 0.234 0.000 1.069 4244 I CA -0.312 61.109 61.300 0.201 0.000 1.056 4244 I CB 2.338 40.380 38.000 0.069 0.000 1.229 4244 I HN 0.480 nan 8.210 nan 0.000 0.429 4245 S N 5.066 120.874 115.700 0.180 0.000 2.474 4245 S HA 0.374 4.843 4.470 -0.001 0.000 0.321 4245 S C -0.517 174.131 174.600 0.080 0.000 1.080 4245 S CA -0.603 57.664 58.200 0.113 0.000 1.106 4245 S CB 1.031 64.281 63.200 0.083 0.000 0.984 4245 S HN 0.480 nan 8.310 nan 0.000 0.464 4246 E N 1.800 122.091 120.200 0.150 0.000 2.092 4246 E HA 0.339 4.688 4.350 -0.001 0.000 0.271 4246 E C -0.429 176.234 176.600 0.104 0.000 0.919 4246 E CA -0.522 56.002 56.400 0.207 0.000 0.760 4246 E CB 1.098 31.009 29.700 0.353 0.000 1.106 4246 E HN 0.628 nan 8.360 nan 0.000 0.408 4247 S N 1.986 117.722 115.700 0.060 0.000 3.608 4247 S HA -0.149 4.320 4.470 -0.001 0.000 0.382 4247 S C 0.051 174.821 174.600 0.282 0.000 0.945 4247 S CA 0.565 58.801 58.200 0.059 0.000 1.256 4247 S CB -1.109 62.037 63.200 -0.090 0.000 0.913 4247 S HN 0.934 nan 8.310 nan 0.000 0.518 4248 G N -0.944 108.014 108.800 0.263 0.000 2.169 4248 G HA2 0.509 4.468 3.960 -0.001 0.000 0.286 4248 G HA3 0.509 4.468 3.960 -0.001 0.000 0.286 4248 G C -0.861 174.086 174.900 0.077 0.000 1.742 4248 G CA 0.053 45.304 45.100 0.251 0.000 0.904 4248 G HN 1.460 nan 8.290 nan 0.000 0.735 4249 V N -0.793 119.130 119.914 0.016 0.000 3.165 4249 V HA 0.928 5.047 4.120 -0.001 0.000 0.309 4249 V C 1.293 177.343 176.094 -0.073 0.000 1.267 4249 V CA -0.093 62.188 62.300 -0.032 0.000 1.067 4249 V CB 1.166 32.953 31.823 -0.060 0.000 1.082 4249 V HN 2.101 nan 8.190 nan 0.000 0.451 4250 A N -0.412 122.355 122.820 -0.087 0.000 2.172 4250 A HA 0.183 4.502 4.320 -0.001 0.000 0.216 4250 A C 1.545 179.055 177.584 -0.123 0.000 1.154 4250 A CA 1.394 53.362 52.037 -0.115 0.000 0.701 4250 A CB -0.700 18.225 19.000 -0.125 0.000 0.789 4250 A HN 0.807 nan 8.150 nan 0.000 0.465 4251 L N -0.519 120.631 121.223 -0.122 0.000 2.592 4251 L HA 0.041 4.380 4.340 -0.001 0.000 0.227 4251 L C 0.269 177.029 176.870 -0.185 0.000 1.127 4251 L CA 0.074 54.830 54.840 -0.140 0.000 0.884 4251 L CB -0.060 41.929 42.059 -0.118 0.000 1.065 4251 L HN 0.114 nan 8.230 nan 0.000 0.457 4252 T N 0.500 114.938 114.554 -0.193 0.000 2.961 4252 T HA -0.003 4.346 4.350 -0.001 0.000 0.270 4252 T C 1.514 176.060 174.700 -0.256 0.000 0.926 4252 T CA 0.281 62.216 62.100 -0.276 0.000 1.112 4252 T CB 0.589 69.291 68.868 -0.276 0.000 0.926 4252 T HN 0.380 nan 8.240 nan 0.000 0.612 4253 S N 2.885 118.420 115.700 -0.275 0.000 2.407 4253 S HA -0.146 4.323 4.470 -0.001 0.000 0.235 4253 S C 2.139 176.598 174.600 -0.235 0.000 1.036 4253 S CA 1.254 59.301 58.200 -0.255 0.000 1.013 4253 S CB -0.580 62.441 63.200 -0.298 0.000 0.820 4253 S HN 0.500 nan 8.310 nan 0.000 0.476 4254 V N 1.112 120.876 119.914 -0.249 0.000 2.594 4254 V HA 0.040 4.159 4.120 -0.001 0.000 0.253 4254 V C 2.000 177.993 176.094 -0.167 0.000 1.069 4254 V CA 1.628 63.808 62.300 -0.200 0.000 1.082 4254 V CB -0.490 31.220 31.823 -0.188 0.000 0.680 4254 V HN 0.642 nan 8.190 nan 0.000 0.469 4255 L N -0.444 120.676 121.223 -0.172 0.000 2.446 4255 L HA 0.175 4.514 4.340 -0.001 0.000 0.219 4255 L C 0.404 177.178 176.870 -0.160 0.000 1.116 4255 L CA 0.064 54.805 54.840 -0.164 0.000 0.844 4255 L CB 0.326 42.301 42.059 -0.140 0.000 0.970 4255 L HN 0.100 nan 8.230 nan 0.000 0.457 4256 V N 1.140 120.964 119.914 -0.150 0.000 2.384 4256 V HA 0.264 4.383 4.120 -0.001 0.000 0.287 4256 V C -0.078 175.941 176.094 -0.125 0.000 1.020 4256 V CA -0.940 61.282 62.300 -0.130 0.000 0.850 4256 V CB 1.473 33.219 31.823 -0.129 0.000 0.987 4256 V HN 0.030 nan 8.190 nan 0.000 0.436 4257 K N 4.771 125.107 120.400 -0.107 0.000 2.258 4257 K HA 0.545 4.864 4.320 -0.001 0.000 0.284 4257 K C -0.456 176.092 176.600 -0.086 0.000 1.051 4257 K CA -0.313 55.917 56.287 -0.095 0.000 0.923 4257 K CB 1.627 34.076 32.500 -0.085 0.000 1.046 4257 K HN 0.581 nan 8.250 nan 0.000 0.474 4258 K N 0.332 120.683 120.400 -0.082 0.000 2.340 4258 K HA 0.602 4.921 4.320 -0.001 0.000 0.244 4258 K C 0.208 176.775 176.600 -0.055 0.000 0.973 4258 K CA -0.535 55.709 56.287 -0.072 0.000 0.828 4258 K CB 1.963 34.415 32.500 -0.080 0.000 1.226 4258 K HN 0.747 nan 8.250 nan 0.000 0.437 4259 G N 1.398 110.170 108.800 -0.047 0.000 2.512 4259 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.240 4259 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.240 4259 G C -1.091 173.788 174.900 -0.036 0.000 1.246 4259 G CA -0.294 44.785 45.100 -0.034 0.000 0.919 4259 G HN 0.644 nan 8.290 nan 0.000 0.577 4260 D N 0.912 121.295 120.400 -0.027 0.000 2.317 4260 D HA 0.396 5.035 4.640 -0.001 0.000 0.252 4260 D C 1.665 177.942 176.300 -0.038 0.000 1.174 4260 D CA 0.446 54.428 54.000 -0.030 0.000 0.866 4260 D CB 1.319 42.108 40.800 -0.018 0.000 1.127 4260 D HN 1.156 nan 8.370 nan 0.000 0.467 4261 V N 1.707 121.587 119.914 -0.056 0.000 3.621 4261 V HA 0.142 4.261 4.120 -0.001 0.000 0.285 4261 V C 1.722 177.766 176.094 -0.083 0.000 1.346 4261 V CA 0.193 62.448 62.300 -0.075 0.000 1.104 4261 V CB -0.274 31.485 31.823 -0.106 0.000 0.913 4261 V HN 0.319 nan 8.190 nan 0.000 0.432 4262 K N 1.369 121.733 120.400 -0.061 0.000 2.057 4262 K HA -0.030 4.289 4.320 -0.001 0.000 0.207 4262 K C -0.252 176.333 176.600 -0.025 0.000 1.049 4262 K CA 1.931 58.188 56.287 -0.050 0.000 0.931 4262 K CB -1.447 31.038 32.500 -0.024 0.000 0.714 4262 K HN 0.456 nan 8.250 nan 0.000 0.440 4263 P HA -0.187 nan 4.420 nan 0.000 0.216 4263 P C 1.364 178.674 177.300 0.017 0.000 1.150 4263 P CA 1.042 64.145 63.100 0.005 0.000 0.837 4263 P CB 0.099 31.802 31.700 0.005 0.000 0.786 4264 L N -1.109 120.119 121.223 0.009 0.000 2.072 4264 L HA -0.103 4.237 4.340 -0.001 0.000 0.205 4264 L C 2.157 179.063 176.870 0.060 0.000 1.079 4264 L CA 1.602 56.465 54.840 0.039 0.000 0.752 4264 L CB -0.791 41.283 42.059 0.024 0.000 0.906 4264 L HN -0.048 nan 8.230 nan 0.000 0.436 4265 A N -0.184 122.629 122.820 -0.011 0.000 1.908 4265 A HA -0.261 4.058 4.320 -0.001 0.000 0.218 4265 A C 2.022 179.709 177.584 0.172 0.000 1.181 4265 A CA 1.865 53.913 52.037 0.019 0.000 0.627 4265 A CB -0.500 18.375 19.000 -0.208 0.000 0.818 4265 A HN 0.564 nan 8.150 nan 0.000 0.445 4266 E N -0.941 119.311 120.200 0.088 0.000 2.072 4266 E HA -0.241 4.108 4.350 -0.001 0.000 0.191 4266 E C 2.269 178.915 176.600 0.076 0.000 0.985 4266 E CA 1.238 57.686 56.400 0.079 0.000 0.801 4266 E CB -0.157 29.570 29.700 0.045 0.000 0.750 4266 E HN 0.824 nan 8.360 nan 0.000 0.452 4267 Q N 0.872 120.715 119.800 0.073 0.000 2.096 4267 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 4267 Q C 2.138 178.182 176.000 0.074 0.000 0.982 4267 Q CA 1.378 57.217 55.803 0.060 0.000 0.850 4267 Q CB -0.050 28.723 28.738 0.058 0.000 0.901 4267 Q HN 0.291 nan 8.270 nan 0.000 0.422 4268 I N 0.575 121.225 120.570 0.134 0.000 2.179 4268 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 4268 I C 2.488 178.640 176.117 0.059 0.000 1.088 4268 I CA 0.925 62.309 61.300 0.138 0.000 1.357 4268 I CB -0.490 37.673 38.000 0.270 0.000 1.051 4268 I HN 0.316 nan 8.210 nan 0.000 0.409 4269 A N 1.115 123.981 122.820 0.076 0.000 1.883 4269 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 4269 A C 2.302 179.886 177.584 0.001 0.000 1.186 4269 A CA 1.605 53.647 52.037 0.010 0.000 0.624 4269 A CB -0.856 18.173 19.000 0.048 0.000 0.822 4269 A HN 0.389 nan 8.150 nan 0.000 0.444 4270 I N -0.513 120.068 120.570 0.018 0.000 2.226 4270 I HA -0.209 3.960 4.170 -0.001 0.000 0.245 4270 I C 2.506 178.621 176.117 -0.004 0.000 1.100 4270 I CA 1.703 63.007 61.300 0.006 0.000 1.374 4270 I CB -0.593 37.413 38.000 0.011 0.000 1.057 4270 I HN 0.264 nan 8.210 nan 0.000 0.413 4271 T N 0.772 115.324 114.554 -0.004 0.000 2.788 4271 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 4271 T C 1.865 176.552 174.700 -0.022 0.000 1.044 4271 T CA 1.403 63.493 62.100 -0.016 0.000 1.139 4271 T CB -0.230 68.625 68.868 -0.021 0.000 0.867 4271 T HN 0.470 nan 8.240 nan 0.000 0.454 4272 A N 0.346 123.149 122.820 -0.028 0.000 2.206 4272 A HA 0.480 4.799 4.320 -0.001 0.000 0.211 4272 A C 1.848 179.411 177.584 -0.035 0.000 1.158 4272 A CA 0.868 52.880 52.037 -0.041 0.000 0.761 4272 A CB -0.734 18.222 19.000 -0.073 0.000 0.801 4272 A HN 0.788 nan 8.150 nan 0.000 0.473 4273 G N -2.055 106.730 108.800 -0.026 0.000 2.142 4273 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.225 4273 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.225 4273 G C 0.039 174.926 174.900 -0.021 0.000 1.015 4273 G CA -0.023 45.065 45.100 -0.020 0.000 0.716 4273 G HN 0.586 nan 8.290 nan 0.000 0.508 4274 c N 0.412 118.998 118.600 -0.023 0.000 2.365 4274 c HA 0.676 5.245 4.570 -0.001 0.000 0.349 4274 c C 0.996 175.084 174.090 -0.004 0.000 1.191 4274 c CA -0.857 55.460 56.329 -0.020 0.000 2.114 4274 c CB 1.357 43.846 42.510 -0.037 0.000 2.367 4274 c HN 0.506 nan 8.230 nan 0.000 0.530 4275 K N 0.766 121.168 120.400 0.003 0.000 2.202 4275 K HA 0.311 4.631 4.320 -0.001 0.000 0.264 4275 K C 0.732 177.342 176.600 0.017 0.000 1.010 4275 K CA 0.188 56.481 56.287 0.010 0.000 0.940 4275 K CB 0.595 33.102 32.500 0.012 0.000 0.983 4275 K HN 0.865 nan 8.250 nan 0.000 0.475 4276 T N -2.501 112.065 114.554 0.019 0.000 3.228 4276 T HA 0.047 4.396 4.350 -0.001 0.000 0.278 4276 T C 1.140 175.852 174.700 0.020 0.000 1.014 4276 T CA -0.369 61.746 62.100 0.026 0.000 0.904 4276 T CB 0.027 68.912 68.868 0.029 0.000 1.110 4276 T HN 0.446 nan 8.240 nan 0.000 0.541 4277 T N 2.881 117.443 114.554 0.014 0.000 2.620 4277 T HA -0.088 4.261 4.350 -0.001 0.000 0.267 4277 T C 1.201 175.905 174.700 0.006 0.000 1.044 4277 T CA 2.094 64.199 62.100 0.008 0.000 1.161 4277 T CB -0.523 68.347 68.868 0.003 0.000 0.862 4277 T HN 0.858 nan 8.240 nan 0.000 0.438 4278 T N -2.542 112.012 114.554 0.001 0.000 2.816 4278 T HA 0.514 4.863 4.350 -0.001 0.000 0.299 4278 T C 0.938 175.636 174.700 -0.005 0.000 1.230 4278 T CA -0.372 61.724 62.100 -0.006 0.000 1.007 4278 T CB 1.738 70.584 68.868 -0.037 0.000 1.289 4278 T HN -0.149 nan 8.240 nan 0.000 0.508 4279 S N 0.382 116.087 115.700 0.008 0.000 2.356 4279 S HA -0.027 4.443 4.470 -0.001 0.000 0.223 4279 S C 2.483 177.060 174.600 -0.037 0.000 1.032 4279 S CA 1.413 59.642 58.200 0.048 0.000 1.005 4279 S CB -0.984 62.320 63.200 0.174 0.000 0.867 4279 S HN 0.949 nan 8.310 nan 0.000 0.449 4280 A N 0.995 123.618 122.820 -0.329 0.000 1.940 4280 A HA -0.058 4.261 4.320 -0.001 0.000 0.219 4280 A C 2.321 179.847 177.584 -0.097 0.000 1.176 4280 A CA 1.462 53.261 52.037 -0.396 0.000 0.631 4280 A CB -0.842 17.746 19.000 -0.687 0.000 0.814 4280 A HN 0.347 nan 8.150 nan 0.000 0.446 4281 V N -0.127 119.748 119.914 -0.065 0.000 2.307 4281 V HA -0.316 3.803 4.120 -0.001 0.000 0.245 4281 V C 2.645 178.773 176.094 0.056 0.000 1.045 4281 V CA 2.240 64.549 62.300 0.016 0.000 1.024 4281 V CB -0.672 31.152 31.823 0.002 0.000 0.651 4281 V HN 0.585 nan 8.190 nan 0.000 0.449 4282 M N -0.678 118.948 119.600 0.044 0.000 2.080 4282 M HA -0.171 4.308 4.480 -0.001 0.000 0.260 4282 M C 2.228 178.534 176.300 0.011 0.000 1.068 4282 M CA 1.741 57.068 55.300 0.046 0.000 1.109 4282 M CB -0.574 32.095 32.600 0.115 0.000 1.342 4282 M HN 0.236 nan 8.290 nan 0.000 0.405 4283 V N -0.499 119.455 119.914 0.068 0.000 2.343 4283 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 4283 V C 2.294 178.443 176.094 0.091 0.000 1.051 4283 V CA 2.388 64.719 62.300 0.051 0.000 1.036 4283 V CB -1.068 30.851 31.823 0.160 0.000 0.654 4283 V HN 0.496 nan 8.190 nan 0.000 0.451 4284 H N -0.626 118.455 119.070 0.017 0.000 2.353 4284 H HA -0.215 4.340 4.556 -0.001 0.000 0.300 4284 H C 2.361 177.692 175.328 0.005 0.000 1.090 4284 H CA 2.315 58.372 56.048 0.016 0.000 1.327 4284 H CB -0.669 29.090 29.762 -0.006 0.000 1.383 4284 H HN 0.458 nan 8.280 nan 0.000 0.508 4285 c N -0.028 118.517 118.600 -0.092 0.000 2.432 4285 c HA -0.073 4.496 4.570 -0.001 0.000 0.277 4285 c C 2.797 176.801 174.090 -0.143 0.000 1.249 4285 c CA 1.028 57.269 56.329 -0.147 0.000 1.725 4285 c CB -1.446 41.032 42.510 -0.053 0.000 2.028 4285 c HN 0.669 nan 8.230 nan 0.000 0.477 4286 L N 0.248 121.401 121.223 -0.116 0.000 2.131 4286 L HA -0.094 4.245 4.340 -0.001 0.000 0.210 4286 L C 2.933 179.808 176.870 0.009 0.000 1.092 4286 L CA 1.382 56.161 54.840 -0.101 0.000 0.759 4286 L CB -0.665 41.225 42.059 -0.281 0.000 0.903 4286 L HN 0.353 nan 8.230 nan 0.000 0.435 4287 R N -0.337 120.181 120.500 0.029 0.000 2.235 4287 R HA -0.104 4.235 4.340 -0.001 0.000 0.213 4287 R C 1.897 178.126 176.300 -0.120 0.000 1.059 4287 R CA 0.693 56.771 56.100 -0.037 0.000 0.997 4287 R CB -0.021 30.276 30.300 -0.006 0.000 0.884 4287 R HN 0.533 nan 8.270 nan 0.000 0.462 4288 Q N -0.060 119.644 119.800 -0.160 0.000 2.408 4288 Q HA 0.053 4.393 4.340 -0.001 0.000 0.205 4288 Q C -0.057 175.885 176.000 -0.096 0.000 0.919 4288 Q CA 0.324 56.036 55.803 -0.151 0.000 0.932 4288 Q CB 0.510 29.121 28.738 -0.212 0.000 1.058 4288 Q HN -0.025 nan 8.270 nan 0.000 0.517 4289 K N 2.094 122.442 120.400 -0.086 0.000 2.295 4289 K HA 0.084 4.403 4.320 -0.001 0.000 0.270 4289 K C 0.454 177.037 176.600 -0.029 0.000 1.011 4289 K CA 0.103 56.355 56.287 -0.058 0.000 0.953 4289 K CB 0.730 33.189 32.500 -0.068 0.000 0.956 4289 K HN 0.130 nan 8.250 nan 0.000 0.477 4290 T N -2.283 112.269 114.554 -0.003 0.000 2.828 4290 T HA 0.028 4.377 4.350 -0.001 0.000 0.290 4290 T C 1.336 176.088 174.700 0.087 0.000 1.019 4290 T CA -0.475 61.641 62.100 0.026 0.000 1.031 4290 T CB 0.989 69.870 68.868 0.021 0.000 1.001 4290 T HN 0.644 nan 8.240 nan 0.000 0.531 4291 E N 0.107 120.382 120.200 0.124 0.000 2.085 4291 E HA -0.259 4.090 4.350 -0.001 0.000 0.194 4291 E C 1.893 178.638 176.600 0.243 0.000 0.994 4291 E CA 1.556 58.104 56.400 0.247 0.000 0.801 4291 E CB -0.137 29.633 29.700 0.117 0.000 0.743 4291 E HN 0.808 nan 8.360 nan 0.000 0.453 4292 E N 0.855 121.129 120.200 0.124 0.000 2.110 4292 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 4292 E C 1.749 178.409 176.600 0.100 0.000 0.988 4292 E CA 1.661 58.121 56.400 0.100 0.000 0.804 4292 E CB -0.015 29.715 29.700 0.051 0.000 0.745 4292 E HN 0.382 nan 8.360 nan 0.000 0.458 4293 E N -0.245 120.000 120.200 0.074 0.000 2.106 4293 E HA -0.134 4.216 4.350 -0.001 0.000 0.192 4293 E C 2.112 178.734 176.600 0.037 0.000 0.984 4293 E CA 1.025 57.449 56.400 0.039 0.000 0.806 4293 E CB -0.096 29.609 29.700 0.009 0.000 0.750 4293 E HN 0.326 nan 8.360 nan 0.000 0.458 4294 L N 0.498 121.754 121.223 0.056 0.000 2.217 4294 L HA -0.117 4.222 4.340 -0.001 0.000 0.211 4294 L C 2.425 179.350 176.870 0.093 0.000 1.107 4294 L CA 0.158 54.966 54.840 -0.053 0.000 0.783 4294 L CB -0.187 41.685 42.059 -0.312 0.000 0.919 4294 L HN 0.194 nan 8.230 nan 0.000 0.442 4295 L N 0.146 121.555 121.223 0.311 0.000 2.056 4295 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 4295 L C 2.340 179.317 176.870 0.179 0.000 1.078 4295 L CA 1.735 56.786 54.840 0.352 0.000 0.749 4295 L CB -0.466 41.761 42.059 0.282 0.000 0.901 4295 L HN 0.206 nan 8.230 nan 0.000 0.433 4296 E N -1.262 119.004 120.200 0.111 0.000 2.150 4296 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 4296 E C 1.890 178.513 176.600 0.039 0.000 0.985 4296 E CA 1.557 57.992 56.400 0.060 0.000 0.814 4296 E CB -0.258 29.464 29.700 0.037 0.000 0.752 4296 E HN 0.505 nan 8.360 nan 0.000 0.466 4297 T N 0.650 115.225 114.554 0.035 0.000 2.777 4297 T HA -0.117 4.232 4.350 -0.001 0.000 0.266 4297 T C 2.038 176.754 174.700 0.028 0.000 1.040 4297 T CA 1.592 63.697 62.100 0.008 0.000 1.141 4297 T CB -0.330 68.528 68.868 -0.016 0.000 0.868 4297 T HN 0.175 nan 8.240 nan 0.000 0.444 4298 T N 2.434 117.055 114.554 0.111 0.000 2.684 4298 T HA -0.048 4.301 4.350 -0.001 0.000 0.267 4298 T C 1.833 176.583 174.700 0.082 0.000 1.036 4298 T CA 0.828 63.060 62.100 0.220 0.000 1.148 4298 T CB -0.375 68.703 68.868 0.351 0.000 0.863 4298 T HN 0.075 nan 8.240 nan 0.000 0.436 4299 L N 1.085 122.349 121.223 0.068 0.000 2.046 4299 L HA 0.009 4.348 4.340 -0.001 0.000 0.208 4299 L C 2.326 179.164 176.870 -0.053 0.000 1.077 4299 L CA 1.621 56.472 54.840 0.019 0.000 0.747 4299 L CB -0.763 41.316 42.059 0.033 0.000 0.896 4299 L HN 0.218 nan 8.230 nan 0.000 0.432 4300 K N -1.345 119.018 120.400 -0.062 0.000 2.147 4300 K HA -0.121 4.198 4.320 -0.001 0.000 0.205 4300 K C 1.969 178.465 176.600 -0.175 0.000 1.049 4300 K CA 0.976 57.209 56.287 -0.091 0.000 0.936 4300 K CB -0.153 32.307 32.500 -0.065 0.000 0.722 4300 K HN 0.214 nan 8.250 nan 0.000 0.446 4301 M N 1.314 120.734 119.600 -0.300 0.000 2.374 4301 M HA -0.102 4.377 4.480 -0.001 0.000 0.264 4301 M C 0.404 176.346 176.300 -0.597 0.000 1.067 4301 M CA 1.123 56.076 55.300 -0.578 0.000 1.103 4301 M CB -0.807 31.081 32.600 -1.187 0.000 1.402 4301 M HN 0.222 nan 8.290 nan 0.000 0.444 4302 K N 0.065 120.226 120.400 -0.398 0.000 3.244 4302 K HA -0.187 4.132 4.320 -0.001 0.000 0.270 4302 K C -1.002 175.502 176.600 -0.161 0.000 1.016 4302 K CA 0.269 56.431 56.287 -0.208 0.000 0.754 4302 K CB -2.716 29.704 32.500 -0.134 0.000 1.326 4302 K HN 0.129 nan 8.250 nan 0.000 0.465 4303 F N 0.732 120.703 119.950 0.036 0.000 2.444 4303 F HA 0.272 4.798 4.527 -0.002 0.000 0.331 4303 F C 1.904 177.725 175.800 0.035 0.000 1.167 4303 F CA 0.086 58.109 58.000 0.038 0.000 1.262 4303 F CB 0.414 39.448 39.000 0.057 0.000 1.196 4303 F HN 0.208 nan 8.300 nan 0.000 0.583 4304 L N 0.750 122.127 121.223 0.256 0.000 3.865 4304 L HA -0.265 4.074 4.340 -0.001 0.000 0.408 4304 L C -0.408 176.529 176.870 0.111 0.000 1.209 4304 L CA 0.070 55.001 54.840 0.152 0.000 0.940 4304 L CB -2.021 40.117 42.059 0.132 0.000 1.971 4304 L HN 0.551 nan 8.230 nan 0.000 0.899 4305 S N -0.116 115.643 115.700 0.099 0.000 2.540 4305 S HA 0.640 5.109 4.470 -0.001 0.000 0.275 4305 S C -0.557 174.066 174.600 0.038 0.000 1.123 4305 S CA -0.646 57.591 58.200 0.061 0.000 0.907 4305 S CB 2.408 65.623 63.200 0.025 0.000 1.081 4305 S HN 0.222 nan 8.310 nan 0.000 0.476 4306 L N 3.950 125.177 121.223 0.008 0.000 2.456 4306 L HA 0.344 4.683 4.340 -0.001 0.000 0.277 4306 L C -0.266 176.548 176.870 -0.094 0.000 1.124 4306 L CA 0.118 54.906 54.840 -0.087 0.000 0.880 4306 L CB 0.208 42.073 42.059 -0.322 0.000 1.192 4306 L HN 0.526 nan 8.230 nan 0.000 0.463 4307 D N 4.720 125.073 120.400 -0.077 0.000 2.325 4307 D HA 0.085 4.724 4.640 -0.001 0.000 0.251 4307 D C 0.608 176.853 176.300 -0.092 0.000 1.196 4307 D CA 0.118 54.074 54.000 -0.074 0.000 0.866 4307 D CB 0.733 41.496 40.800 -0.063 0.000 1.101 4307 D HN 0.611 nan 8.370 nan 0.000 0.476 4308 L N 2.666 123.840 121.223 -0.081 0.000 2.653 4308 L HA 0.158 4.497 4.340 -0.001 0.000 0.231 4308 L C 0.990 177.830 176.870 -0.050 0.000 1.153 4308 L CA 0.006 54.802 54.840 -0.073 0.000 0.933 4308 L CB -0.066 41.954 42.059 -0.065 0.000 1.175 4308 L HN 0.334 nan 8.230 nan 0.000 0.473 4309 Q N 0.793 120.563 119.800 -0.050 0.000 2.365 4309 Q HA 0.522 4.861 4.340 -0.001 0.000 0.269 4309 Q C 0.164 176.142 176.000 -0.038 0.000 1.061 4309 Q CA 0.532 56.315 55.803 -0.034 0.000 0.816 4309 Q CB 2.576 31.296 28.738 -0.029 0.000 1.325 4309 Q HN 0.257 nan 8.270 nan 0.000 0.446 4310 G N 3.392 112.180 108.800 -0.020 0.000 2.642 4310 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.231 4310 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.231 4310 G C -0.791 174.091 174.900 -0.030 0.000 1.338 4310 G CA -0.041 45.048 45.100 -0.018 0.000 0.883 4310 G HN 0.713 nan 8.290 nan 0.000 0.570 4311 D N 0.860 121.240 120.400 -0.034 0.000 2.339 4311 D HA 0.514 5.153 4.640 -0.001 0.000 0.256 4311 D C -0.530 175.657 176.300 -0.189 0.000 1.214 4311 D CA -1.486 52.475 54.000 -0.064 0.000 0.877 4311 D CB 1.145 41.932 40.800 -0.022 0.000 1.111 4311 D HN 0.068 nan 8.370 nan 0.000 0.478 4312 P HA -0.113 nan 4.420 nan 0.000 0.218 4312 P C 0.814 177.911 177.300 -0.338 0.000 1.148 4312 P CA 1.014 63.825 63.100 -0.481 0.000 0.822 4312 P CB 0.195 31.303 31.700 -0.986 0.000 0.784 4313 R N -0.254 119.974 120.500 -0.454 0.000 2.285 4313 R HA -0.057 4.282 4.340 -0.001 0.000 0.213 4313 R C 1.527 177.800 176.300 -0.045 0.000 1.068 4313 R CA 0.828 56.765 56.100 -0.270 0.000 1.004 4313 R CB -0.382 29.690 30.300 -0.381 0.000 0.873 4313 R HN 0.398 nan 8.270 nan 0.000 0.467 4314 E N -0.046 120.114 120.200 -0.066 0.000 2.481 4314 E HA 0.095 4.444 4.350 -0.001 0.000 0.198 4314 E C -0.329 176.266 176.600 -0.009 0.000 1.027 4314 E CA -0.165 56.222 56.400 -0.022 0.000 0.900 4314 E CB 0.765 30.448 29.700 -0.028 0.000 0.993 4314 E HN 0.079 nan 8.360 nan 0.000 0.482 4315 S N 1.391 117.081 115.700 -0.016 0.000 2.564 4315 S HA 0.186 4.655 4.470 -0.001 0.000 0.278 4315 S C 0.033 174.655 174.600 0.037 0.000 1.333 4315 S CA -0.123 58.075 58.200 -0.002 0.000 1.048 4315 S CB 0.859 64.044 63.200 -0.025 0.000 0.900 4315 S HN 0.091 nan 8.310 nan 0.000 0.505 4316 Q N 2.335 122.179 119.800 0.072 0.000 2.771 4316 Q HA 0.281 4.620 4.340 -0.001 0.000 0.247 4316 Q C -1.805 174.339 176.000 0.241 0.000 0.986 4316 Q CA -1.496 54.390 55.803 0.138 0.000 0.713 4316 Q CB 1.449 30.304 28.738 0.196 0.000 1.241 4316 Q HN 0.359 nan 8.270 nan 0.000 0.488 4317 P HA -0.101 nan 4.420 nan 0.000 0.223 4317 P C -0.384 177.071 177.300 0.258 0.000 1.151 4317 P CA 0.903 64.127 63.100 0.206 0.000 0.787 4317 P CB 0.531 32.294 31.700 0.105 0.000 0.788 4318 L N -3.602 117.676 121.223 0.093 0.000 2.720 4318 L HA 0.500 4.839 4.340 -0.001 0.000 0.261 4318 L C -0.848 175.835 176.870 -0.311 0.000 1.046 4318 L CA -1.375 53.346 54.840 -0.199 0.000 0.886 4318 L CB 1.192 43.166 42.059 -0.143 0.000 1.493 4318 L HN -0.372 nan 8.230 nan 0.000 0.407 4319 L N 0.796 121.748 121.223 -0.452 0.000 2.287 4319 L HA 0.873 5.212 4.340 -0.001 0.000 0.287 4319 L C 0.307 176.993 176.870 -0.307 0.000 1.022 4319 L CA -0.128 54.546 54.840 -0.277 0.000 0.814 4319 L CB 1.343 43.283 42.059 -0.198 0.000 1.217 4319 L HN 0.925 nan 8.230 nan 0.000 0.420 4320 G N 1.413 110.044 108.800 -0.281 0.000 3.183 4320 G HA2 0.403 4.362 3.960 -0.001 0.000 0.247 4320 G HA3 0.403 4.362 3.960 -0.001 0.000 0.247 4320 G C -0.795 173.955 174.900 -0.250 0.000 1.211 4320 G CA -0.364 44.435 45.100 -0.501 0.000 0.835 4320 G HN 0.351 nan 8.290 nan 0.000 0.604 4321 T N 0.643 115.100 114.554 -0.161 0.000 2.928 4321 T HA 0.425 4.774 4.350 -0.001 0.000 0.305 4321 T C 0.481 175.179 174.700 -0.003 0.000 1.035 4321 T CA 0.334 62.483 62.100 0.081 0.000 1.145 4321 T CB 0.903 69.828 68.868 0.096 0.000 0.963 4321 T HN 1.212 nan 8.240 nan 0.000 0.545 4322 V N 0.147 120.064 119.914 0.005 0.000 3.126 4322 V HA 0.633 4.752 4.120 -0.001 0.000 0.314 4322 V C -0.619 175.436 176.094 -0.065 0.000 1.138 4322 V CA -1.372 60.895 62.300 -0.055 0.000 1.034 4322 V CB 1.808 33.580 31.823 -0.084 0.000 1.075 4322 V HN 0.612 nan 8.190 nan 0.000 0.442 4323 I N 3.584 124.110 120.570 -0.073 0.000 2.256 4323 I HA 0.282 4.451 4.170 -0.001 0.000 0.294 4323 I C 0.884 176.956 176.117 -0.075 0.000 1.127 4323 I CA 0.011 61.269 61.300 -0.070 0.000 1.247 4323 I CB -0.020 37.943 38.000 -0.062 0.000 1.460 4323 I HN 0.968 nan 8.210 nan 0.000 0.511 4324 D N 3.906 124.255 120.400 -0.086 0.000 2.271 4324 D HA -0.014 4.626 4.640 -0.001 0.000 0.206 4324 D C 1.385 177.645 176.300 -0.067 0.000 0.967 4324 D CA 1.114 55.055 54.000 -0.097 0.000 0.867 4324 D CB 0.508 41.221 40.800 -0.146 0.000 0.960 4324 D HN 0.663 nan 8.370 nan 0.000 0.509 4325 G N -0.090 108.678 108.800 -0.053 0.000 2.176 4325 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.232 4325 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.232 4325 G C 0.902 175.788 174.900 -0.023 0.000 0.986 4325 G CA 0.553 45.632 45.100 -0.035 0.000 0.643 4325 G HN 0.234 nan 8.290 nan 0.000 0.522 4326 M N -1.270 118.313 119.600 -0.027 0.000 3.112 4326 M HA 0.457 4.936 4.480 -0.001 0.000 0.229 4326 M C 2.215 178.510 176.300 -0.007 0.000 1.673 4326 M CA 1.043 56.339 55.300 -0.007 0.000 1.303 4326 M CB -1.251 31.351 32.600 0.004 0.000 1.159 4326 M HN 0.238 nan 8.290 nan 0.000 0.588 4327 L N 0.803 122.012 121.223 -0.024 0.000 2.049 4327 L HA 0.162 4.501 4.340 -0.001 0.000 0.203 4327 L C 0.336 177.177 176.870 -0.048 0.000 1.074 4327 L CA 1.492 56.315 54.840 -0.028 0.000 0.749 4327 L CB 0.079 42.116 42.059 -0.037 0.000 0.907 4327 L HN 0.123 nan 8.230 nan 0.000 0.439 4328 L N 0.154 121.340 121.223 -0.061 0.000 2.333 4328 L HA 0.254 4.593 4.340 -0.001 0.000 0.280 4328 L C 0.406 177.247 176.870 -0.048 0.000 1.004 4328 L CA -0.383 54.418 54.840 -0.065 0.000 0.820 4328 L CB 1.860 43.868 42.059 -0.085 0.000 1.247 4328 L HN 0.149 nan 8.230 nan 0.000 0.416 4329 L N 1.984 123.186 121.223 -0.037 0.000 2.416 4329 L HA 0.204 4.543 4.340 -0.001 0.000 0.216 4329 L C 0.506 177.358 176.870 -0.029 0.000 1.098 4329 L CA 0.736 55.559 54.840 -0.028 0.000 0.840 4329 L CB -0.121 41.927 42.059 -0.018 0.000 0.981 4329 L HN 0.602 nan 8.230 nan 0.000 0.462 4330 K N -0.860 119.521 120.400 -0.032 0.000 2.499 4330 K HA 0.328 4.647 4.320 -0.001 0.000 0.277 4330 K C -0.479 176.098 176.600 -0.039 0.000 1.025 4330 K CA -0.684 55.584 56.287 -0.030 0.000 0.900 4330 K CB 1.510 33.999 32.500 -0.018 0.000 1.494 4330 K HN -0.155 nan 8.250 nan 0.000 0.442 4331 T N -1.506 113.024 114.554 -0.040 0.000 2.900 4331 T HA 0.093 4.442 4.350 -0.001 0.000 0.307 4331 T C -2.006 172.667 174.700 -0.046 0.000 1.065 4331 T CA -1.047 61.022 62.100 -0.051 0.000 1.105 4331 T CB 0.582 69.419 68.868 -0.053 0.000 0.979 4331 T HN 0.161 nan 8.240 nan 0.000 0.544 4332 P HA -0.102 nan 4.420 nan 0.000 0.216 4332 P C 1.303 178.583 177.300 -0.034 0.000 1.150 4332 P CA 1.081 64.145 63.100 -0.060 0.000 0.843 4332 P CB 0.047 31.694 31.700 -0.089 0.000 0.787 4333 E N 0.013 120.190 120.200 -0.038 0.000 2.058 4333 E HA -0.205 4.144 4.350 -0.001 0.000 0.194 4333 E C 1.903 178.508 176.600 0.008 0.000 0.997 4333 E CA 1.411 57.800 56.400 -0.018 0.000 0.801 4333 E CB -0.981 28.701 29.700 -0.031 0.000 0.746 4333 E HN 0.453 nan 8.360 nan 0.000 0.450 4334 E N 0.279 120.479 120.200 0.001 0.000 2.106 4334 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 4334 E C 2.094 178.715 176.600 0.035 0.000 0.984 4334 E CA 0.673 57.080 56.400 0.012 0.000 0.806 4334 E CB -0.162 29.537 29.700 -0.002 0.000 0.750 4334 E HN 0.218 nan 8.360 nan 0.000 0.458 4335 L N 0.835 122.083 121.223 0.043 0.000 2.141 4335 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 4335 L C 2.450 179.444 176.870 0.207 0.000 1.094 4335 L CA 1.081 55.977 54.840 0.093 0.000 0.763 4335 L CB -0.267 41.836 42.059 0.073 0.000 0.908 4335 L HN 0.157 nan 8.230 nan 0.000 0.437 4336 Q N -0.310 119.596 119.800 0.177 0.000 2.083 4336 Q HA -0.102 4.238 4.340 -0.001 0.000 0.198 4336 Q C 2.492 178.623 176.000 0.218 0.000 0.969 4336 Q CA 1.336 57.307 55.803 0.280 0.000 0.838 4336 Q CB -0.198 28.617 28.738 0.129 0.000 0.900 4336 Q HN 0.526 nan 8.270 nan 0.000 0.436 4337 A N 1.141 124.028 122.820 0.113 0.000 1.972 4337 A HA -0.233 4.086 4.320 -0.001 0.000 0.219 4337 A C 1.805 179.417 177.584 0.046 0.000 1.169 4337 A CA 1.490 53.568 52.037 0.069 0.000 0.635 4337 A CB -0.346 18.678 19.000 0.041 0.000 0.810 4337 A HN 0.344 nan 8.150 nan 0.000 0.446 4338 E N -1.064 119.163 120.200 0.046 0.000 2.285 4338 E HA -0.025 4.324 4.350 -0.001 0.000 0.194 4338 E C 0.076 176.642 176.600 -0.056 0.000 0.997 4338 E CA -0.004 56.397 56.400 0.001 0.000 0.845 4338 E CB 0.003 29.707 29.700 0.007 0.000 0.782 4338 E HN 0.454 nan 8.360 nan 0.000 0.491 4339 R N 0.461 120.934 120.500 -0.045 0.000 3.525 4339 R HA -0.203 4.136 4.340 -0.001 0.000 0.276 4339 R C -0.619 175.347 176.300 -0.556 0.000 1.116 4339 R CA 0.634 56.519 56.100 -0.359 0.000 0.745 4339 R CB -2.301 27.835 30.300 -0.274 0.000 1.185 4339 R HN 0.070 nan 8.270 nan 0.000 0.454 4340 N N 1.159 119.698 118.700 -0.268 0.000 2.949 4340 N HA 0.326 5.065 4.740 -0.001 0.000 0.243 4340 N C -1.131 174.353 175.510 -0.043 0.000 1.113 4340 N CA -0.490 52.459 53.050 -0.170 0.000 0.980 4340 N CB 0.321 38.781 38.487 -0.046 0.000 1.256 4340 N HN 0.256 nan 8.380 nan 0.000 0.508 4341 F N -1.800 118.122 119.950 -0.046 0.000 2.741 4341 F HA 0.375 4.901 4.527 -0.001 0.000 0.311 4341 F C -0.848 174.949 175.800 -0.005 0.000 1.149 4341 F CA -1.351 56.589 58.000 -0.100 0.000 0.930 4341 F CB 0.470 39.420 39.000 -0.084 0.000 1.312 4341 F HN 0.053 nan 8.300 nan 0.000 0.450 4342 H N 0.458 119.711 119.070 0.306 0.000 3.082 4342 H HA 0.307 4.862 4.556 -0.001 0.000 0.275 4342 H C 0.312 175.808 175.328 0.279 0.000 1.032 4342 H CA 0.289 56.420 56.048 0.138 0.000 1.477 4342 H CB 0.589 30.338 29.762 -0.022 0.000 1.520 4342 H HN 0.714 nan 8.280 nan 0.000 0.521 4343 T N 1.033 115.724 114.554 0.229 0.000 3.607 4343 T HA 0.236 4.585 4.350 -0.001 0.000 0.225 4343 T C 0.599 175.409 174.700 0.183 0.000 0.904 4343 T CA -0.791 61.396 62.100 0.145 0.000 0.962 4343 T CB -1.316 67.535 68.868 -0.028 0.000 1.221 4343 T HN 0.354 nan 8.240 nan 0.000 0.641 4344 V N -2.049 118.033 119.914 0.280 0.000 3.036 4344 V HA 0.635 4.754 4.120 -0.001 0.000 0.308 4344 V C -2.766 173.548 176.094 0.366 0.000 1.070 4344 V CA -3.176 59.251 62.300 0.213 0.000 1.056 4344 V CB 0.547 32.443 31.823 0.122 0.000 1.084 4344 V HN 0.099 nan 8.190 nan 0.000 0.471 4345 P HA 0.142 nan 4.420 nan 0.000 0.265 4345 P C -1.355 176.281 177.300 0.559 0.000 1.193 4345 P CA 0.641 63.955 63.100 0.356 0.000 0.765 4345 P CB -0.119 31.618 31.700 0.062 0.000 0.823 4346 Y N 3.603 124.141 120.300 0.397 0.000 2.346 4346 Y HA 0.492 5.041 4.550 -0.001 0.000 0.332 4346 Y C -0.712 175.184 175.900 -0.006 0.000 0.985 4346 Y CA -1.466 56.700 58.100 0.109 0.000 1.112 4346 Y CB 1.435 39.584 38.460 -0.517 0.000 1.170 4346 Y HN 0.218 nan 8.280 nan 0.000 0.447 4347 M N 7.797 127.376 119.600 -0.035 0.000 2.149 4347 M HA 0.576 5.055 4.480 -0.001 0.000 0.342 4347 M C -2.163 173.882 176.300 -0.424 0.000 1.068 4347 M CA -0.653 54.378 55.300 -0.449 0.000 0.991 4347 M CB 0.937 32.928 32.600 -1.014 0.000 1.596 4347 M HN 0.433 nan 8.290 nan 0.000 0.439 4348 V N 4.644 124.266 119.914 -0.485 0.000 2.483 4348 V HA 0.878 4.997 4.120 -0.001 0.000 0.297 4348 V C 0.193 175.956 176.094 -0.553 0.000 1.027 4348 V CA -0.562 61.414 62.300 -0.541 0.000 0.855 4348 V CB 1.479 32.882 31.823 -0.699 0.000 0.995 4348 V HN 1.013 nan 8.190 nan 0.000 0.424 4349 G N 3.939 112.326 108.800 -0.688 0.000 2.694 4349 G HA2 0.903 4.862 3.960 -0.001 0.000 0.290 4349 G HA3 0.903 4.862 3.960 -0.001 0.000 0.290 4349 G C -1.279 173.241 174.900 -0.633 0.000 1.386 4349 G CA -0.681 43.629 45.100 -1.317 0.000 0.872 4349 G HN 0.935 nan 8.290 nan 0.000 0.475 4350 I N -2.291 118.026 120.570 -0.423 0.000 3.174 4350 I HA 0.662 4.831 4.170 -0.001 0.000 0.313 4350 I C -1.330 174.872 176.117 0.141 0.000 1.155 4350 I CA -1.404 59.855 61.300 -0.069 0.000 0.977 4350 I CB 2.532 40.511 38.000 -0.036 0.000 1.248 4350 I HN 0.225 nan 8.210 nan 0.000 0.453 4351 N N 1.870 120.666 118.700 0.160 0.000 2.466 4351 N HA 0.298 5.037 4.740 -0.001 0.000 0.294 4351 N C 0.317 175.947 175.510 0.200 0.000 1.129 4351 N CA -0.752 52.462 53.050 0.273 0.000 0.931 4351 N CB 1.803 40.449 38.487 0.266 0.000 1.193 4351 N HN 0.627 nan 8.380 nan 0.000 0.500 4352 K N 0.651 121.178 120.400 0.213 0.000 2.074 4352 K HA -0.132 4.188 4.320 -0.001 0.000 0.209 4352 K C -0.107 176.583 176.600 0.149 0.000 1.048 4352 K CA 1.827 58.208 56.287 0.157 0.000 0.926 4352 K CB 0.109 32.686 32.500 0.129 0.000 0.713 4352 K HN 0.583 nan 8.250 nan 0.000 0.444 4353 Q N 0.160 120.058 119.800 0.162 0.000 2.965 4353 Q HA 0.118 4.457 4.340 -0.001 0.000 0.288 4353 Q C -0.249 175.856 176.000 0.174 0.000 0.974 4353 Q CA -0.312 55.590 55.803 0.166 0.000 0.849 4353 Q CB 1.438 30.272 28.738 0.160 0.000 1.280 4353 Q HN 0.144 nan 8.270 nan 0.000 0.441 4354 E N 0.253 120.541 120.200 0.146 0.000 2.171 4354 E HA -0.173 4.177 4.350 -0.001 0.000 0.197 4354 E C 0.411 177.105 176.600 0.157 0.000 0.997 4354 E CA 1.297 57.740 56.400 0.071 0.000 0.810 4354 E CB 0.156 29.777 29.700 -0.131 0.000 0.738 4354 E HN 0.458 nan 8.360 nan 0.000 0.467 4355 F N 0.026 119.998 119.950 0.037 0.000 2.772 4355 F HA 0.287 4.813 4.527 -0.001 0.000 0.302 4355 F C 1.671 177.492 175.800 0.035 0.000 1.136 4355 F CA -0.275 57.722 58.000 -0.004 0.000 1.322 4355 F CB 0.602 39.565 39.000 -0.062 0.000 0.967 4355 F HN -0.077 nan 8.300 nan 0.000 0.513 4356 G N 0.100 108.985 108.800 0.141 0.000 2.402 4356 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.216 4356 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.216 4356 G C 1.043 176.069 174.900 0.210 0.000 1.162 4356 G CA 1.364 46.568 45.100 0.173 0.000 0.777 4356 G HN 0.621 nan 8.290 nan 0.000 0.539 4357 W N -1.597 119.665 121.300 -0.064 0.000 5.465 4357 W HA 0.268 4.927 4.660 -0.002 0.000 0.160 4357 W C 1.749 178.207 176.519 -0.102 0.000 1.373 4357 W CA 0.159 57.465 57.345 -0.066 0.000 1.891 4357 W CB -0.582 28.880 29.460 0.002 0.000 0.552 4357 W HN 0.009 nan 8.180 nan 0.000 1.112 4358 L N 2.022 123.270 121.223 0.042 0.000 1.963 4358 L HA -0.190 4.149 4.340 -0.001 0.000 0.220 4358 L C 2.150 178.810 176.870 -0.350 0.000 1.076 4358 L CA 2.953 57.687 54.840 -0.177 0.000 0.772 4358 L CB -1.142 41.048 42.059 0.218 0.000 0.892 4358 L HN 0.206 nan 8.230 nan 0.000 0.435 4359 I N 0.087 120.464 120.570 -0.322 0.000 2.127 4359 I HA -0.214 3.955 4.170 -0.001 0.000 0.241 4359 I C -0.383 175.398 176.117 -0.561 0.000 1.075 4359 I CA 1.633 62.685 61.300 -0.412 0.000 1.334 4359 I CB -1.935 35.784 38.000 -0.467 0.000 1.040 4359 I HN 0.324 nan 8.210 nan 0.000 0.405 4360 P HA -0.174 nan 4.420 nan 0.000 0.219 4360 P C 1.107 178.214 177.300 -0.322 0.000 1.146 4360 P CA 1.356 64.042 63.100 -0.690 0.000 0.808 4360 P CB -0.083 31.144 31.700 -0.789 0.000 0.779 4364 M N 0.288 119.880 119.600 -0.014 0.000 2.568 4364 M HA 0.178 4.658 4.480 -0.001 0.000 0.226 4364 M C 0.427 176.805 176.300 0.130 0.000 1.148 4364 M CA 0.180 55.546 55.300 0.109 0.000 1.007 4364 M CB 0.339 33.092 32.600 0.255 0.000 1.651 4364 M HN 0.208 nan 8.290 nan 0.000 0.488 4365 S N 0.327 116.067 115.700 0.065 0.000 3.706 4365 S HA -0.177 4.292 4.470 -0.001 0.000 0.363 4365 S C -0.413 174.244 174.600 0.094 0.000 0.999 4365 S CA 0.310 58.539 58.200 0.048 0.000 1.143 4365 S CB -1.884 61.322 63.200 0.010 0.000 0.902 4365 S HN 0.449 nan 8.310 nan 0.000 0.476 4366 Y N 1.066 121.358 120.300 -0.013 0.000 2.425 4366 Y HA 0.283 4.832 4.550 -0.002 0.000 0.331 4366 Y C -1.671 174.252 175.900 0.038 0.000 1.157 4366 Y CA -1.456 56.673 58.100 0.049 0.000 1.372 4366 Y CB 0.291 38.811 38.460 0.100 0.000 1.253 4366 Y HN 0.078 nan 8.280 nan 0.000 0.536 4367 P HA 0.125 nan 4.420 nan 0.000 0.235 4367 P C -0.315 177.042 177.300 0.096 0.000 1.765 4367 P CA 0.594 63.728 63.100 0.057 0.000 1.034 4367 P CB -0.340 31.360 31.700 0.000 0.000 1.984 4368 L N -0.482 120.818 121.223 0.128 0.000 3.110 4368 L HA 0.172 4.511 4.340 -0.001 0.000 0.266 4368 L C 2.015 178.940 176.870 0.093 0.000 1.257 4368 L CA 0.060 54.974 54.840 0.124 0.000 1.038 4368 L CB -0.099 42.067 42.059 0.179 0.000 1.395 4368 L HN 0.113 nan 8.230 nan 0.000 0.566 4369 S N 0.851 116.594 115.700 0.072 0.000 2.389 4369 S HA -0.218 4.251 4.470 -0.001 0.000 0.231 4369 S C 1.749 176.384 174.600 0.059 0.000 1.052 4369 S CA 1.718 59.955 58.200 0.062 0.000 1.053 4369 S CB 0.053 63.280 63.200 0.045 0.000 0.886 4369 S HN 0.454 nan 8.310 nan 0.000 0.456 4370 E N 0.152 120.382 120.200 0.050 0.000 2.511 4370 E HA 0.112 4.461 4.350 -0.001 0.000 0.196 4370 E C 1.343 177.975 176.600 0.054 0.000 1.066 4370 E CA 0.563 56.989 56.400 0.045 0.000 0.871 4370 E CB -0.639 29.080 29.700 0.032 0.000 0.863 4370 E HN 0.675 nan 8.360 nan 0.000 0.520 4371 G N 2.592 111.435 108.800 0.071 0.000 2.361 4371 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.294 4371 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.294 4371 G C 0.109 175.053 174.900 0.074 0.000 1.004 4371 G CA 1.341 46.492 45.100 0.085 0.000 0.870 4371 G HN 0.431 nan 8.290 nan 0.000 0.510 4372 Q N -1.813 118.021 119.800 0.057 0.000 2.472 4372 Q HA 0.806 5.145 4.340 -0.001 0.000 0.281 4372 Q C -1.272 174.739 176.000 0.020 0.000 0.997 4372 Q CA -1.304 54.526 55.803 0.046 0.000 0.828 4372 Q CB 1.739 30.500 28.738 0.038 0.000 1.443 4372 Q HN 0.402 nan 8.270 nan 0.000 0.390 4373 L N 1.345 122.575 121.223 0.011 0.000 2.506 4373 L HA 0.535 4.874 4.340 -0.001 0.000 0.257 4373 L C -1.344 175.521 176.870 -0.008 0.000 0.964 4373 L CA -0.969 53.854 54.840 -0.029 0.000 0.836 4373 L CB 2.447 44.439 42.059 -0.112 0.000 1.384 4373 L HN 0.835 nan 8.230 nan 0.000 0.410 4374 D N 0.589 120.979 120.400 -0.016 0.000 2.228 4374 D HA 0.209 4.848 4.640 -0.001 0.000 0.247 4374 D C 0.104 176.404 176.300 -0.000 0.000 0.995 4374 D CA -0.657 53.345 54.000 0.003 0.000 0.903 4374 D CB 1.979 42.782 40.800 0.005 0.000 1.205 4374 D HN 0.571 nan 8.370 nan 0.000 0.459 4375 Q N 0.062 119.875 119.800 0.023 0.000 2.133 4375 Q HA -0.224 4.115 4.340 -0.001 0.000 0.208 4375 Q C 1.875 177.892 176.000 0.028 0.000 0.991 4375 Q CA 1.381 57.207 55.803 0.038 0.000 0.867 4375 Q CB -0.102 28.666 28.738 0.050 0.000 0.911 4375 Q HN 0.481 nan 8.270 nan 0.000 0.417 4376 K N 0.474 120.885 120.400 0.017 0.000 2.103 4376 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 4376 K C 1.842 178.447 176.600 0.008 0.000 1.048 4376 K CA 1.676 57.973 56.287 0.016 0.000 0.930 4376 K CB -0.073 32.433 32.500 0.011 0.000 0.716 4376 K HN 0.199 nan 8.250 nan 0.000 0.444 4377 T N 0.732 115.276 114.554 -0.016 0.000 2.857 4377 T HA -0.015 4.334 4.350 -0.001 0.000 0.266 4377 T C 1.931 176.574 174.700 -0.094 0.000 1.048 4377 T CA 1.129 63.203 62.100 -0.044 0.000 1.139 4377 T CB -0.186 68.645 68.868 -0.062 0.000 0.874 4377 T HN 0.355 nan 8.240 nan 0.000 0.455 4378 A N 1.807 124.552 122.820 -0.125 0.000 1.902 4378 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 4378 A C 2.347 179.958 177.584 0.045 0.000 1.181 4378 A CA 1.470 53.378 52.037 -0.216 0.000 0.623 4378 A CB -0.706 18.254 19.000 -0.066 0.000 0.818 4378 A HN 0.439 nan 8.150 nan 0.000 0.443 4379 M N -0.337 119.321 119.600 0.097 0.000 2.117 4379 M HA -0.132 4.347 4.480 -0.001 0.000 0.262 4379 M C 2.403 178.817 176.300 0.190 0.000 1.065 4379 M CA 1.735 57.130 55.300 0.160 0.000 1.114 4379 M CB -0.464 32.198 32.600 0.103 0.000 1.361 4379 M HN 0.425 nan 8.290 nan 0.000 0.408 4380 S N 0.978 116.756 115.700 0.129 0.000 2.356 4380 S HA -0.063 4.406 4.470 -0.001 0.000 0.223 4380 S C 1.887 176.606 174.600 0.198 0.000 1.032 4380 S CA 1.122 59.420 58.200 0.163 0.000 1.005 4380 S CB -0.398 62.855 63.200 0.088 0.000 0.867 4380 S HN 0.405 nan 8.310 nan 0.000 0.449 4381 L N 0.617 121.916 121.223 0.128 0.000 2.141 4381 L HA -0.037 4.303 4.340 -0.001 0.000 0.209 4381 L C 2.322 179.409 176.870 0.362 0.000 1.094 4381 L CA 0.557 55.497 54.840 0.167 0.000 0.763 4381 L CB -0.401 41.679 42.059 0.035 0.000 0.908 4381 L HN 0.270 nan 8.230 nan 0.000 0.437 4382 L N -0.645 120.851 121.223 0.455 0.000 2.093 4382 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 4382 L C 2.171 179.290 176.870 0.415 0.000 1.085 4382 L CA 1.703 56.825 54.840 0.470 0.000 0.755 4382 L CB -0.642 41.693 42.059 0.460 0.000 0.904 4382 L HN 0.341 nan 8.230 nan 0.000 0.435 4383 W N 0.205 121.613 121.300 0.181 0.000 2.381 4383 W HA -0.197 4.462 4.660 -0.001 0.000 0.301 4383 W C 1.982 178.587 176.519 0.143 0.000 1.205 4383 W CA 0.612 58.048 57.345 0.151 0.000 1.285 4383 W CB 0.140 29.654 29.460 0.089 0.000 1.133 4383 W HN 0.024 nan 8.180 nan 0.000 0.521 4384 K N 0.587 121.018 120.400 0.051 0.000 2.209 4384 K HA -0.083 4.236 4.320 -0.001 0.000 0.204 4384 K C 1.661 178.210 176.600 -0.084 0.000 1.048 4384 K CA 1.177 57.390 56.287 -0.123 0.000 0.940 4384 K CB -0.709 31.755 32.500 -0.060 0.000 0.729 4384 K HN 0.025 nan 8.250 nan 0.000 0.451 4385 S N 0.871 116.603 115.700 0.053 0.000 2.701 4385 S HA -0.015 4.454 4.470 -0.001 0.000 0.220 4385 S C 1.162 175.776 174.600 0.023 0.000 0.954 4385 S CA -0.321 57.927 58.200 0.081 0.000 0.936 4385 S CB -0.349 62.960 63.200 0.182 0.000 0.777 4385 S HN 0.269 nan 8.310 nan 0.000 0.518 4386 Y N 4.024 124.229 120.300 -0.159 0.000 2.096 4386 Y HA -0.191 4.358 4.550 -0.001 0.000 0.278 4386 Y C -0.732 175.086 175.900 -0.137 0.000 1.192 4386 Y CA 1.909 59.902 58.100 -0.178 0.000 1.143 4386 Y CB -1.221 36.978 38.460 -0.434 0.000 0.963 4386 Y HN 0.263 nan 8.280 nan 0.000 0.505 4387 P HA -0.184 nan 4.420 nan 0.000 0.221 4387 P C 1.440 178.626 177.300 -0.189 0.000 1.145 4387 P CA 1.781 64.797 63.100 -0.141 0.000 0.795 4387 P CB -0.112 31.567 31.700 -0.035 0.000 0.775 4388 L N -0.883 120.243 121.223 -0.162 0.000 2.253 4388 L HA 0.008 4.347 4.340 -0.001 0.000 0.205 4388 L C 2.491 179.182 176.870 -0.298 0.000 1.078 4388 L CA 0.953 55.677 54.840 -0.194 0.000 0.805 4388 L CB -0.371 41.616 42.059 -0.120 0.000 0.963 4388 L HN -0.108 nan 8.230 nan 0.000 0.459 4389 V N -6.513 113.225 119.914 -0.292 0.000 3.570 4389 V HA 0.144 4.263 4.120 -0.001 0.000 0.257 4389 V C 1.237 177.152 176.094 -0.298 0.000 1.272 4389 V CA -0.152 61.964 62.300 -0.306 0.000 1.079 4389 V CB 0.271 31.941 31.823 -0.255 0.000 0.829 4389 V HN 0.461 nan 8.190 nan 0.000 0.454 4390 C N 0.709 119.699 119.300 -0.517 0.000 4.507 4390 C HA -0.153 4.306 4.460 -0.001 0.000 0.285 4390 C C 0.545 175.421 174.990 -0.191 0.000 1.335 4390 C CA 0.037 58.576 59.018 -0.798 0.000 1.953 4390 C CB -3.033 24.360 27.740 -0.577 0.000 1.262 4390 C HN 0.685 nan 8.230 nan 0.000 0.776 4391 I N 1.542 122.218 120.570 0.177 0.000 2.312 4391 I HA 0.453 4.622 4.170 -0.001 0.000 0.291 4391 I C 1.041 177.544 176.117 0.644 0.000 1.031 4391 I CA 0.241 61.826 61.300 0.474 0.000 1.293 4391 I CB 0.953 39.214 38.000 0.435 0.000 1.403 4391 I HN 0.447 nan 8.210 nan 0.000 0.484 4392 A N 6.229 129.377 122.820 0.547 0.000 2.565 4392 A HA -0.014 4.305 4.320 -0.001 0.000 0.237 4392 A C 1.512 179.243 177.584 0.244 0.000 1.053 4392 A CA 0.038 52.335 52.037 0.433 0.000 0.755 4392 A CB 0.148 19.312 19.000 0.273 0.000 0.980 4392 A HN 0.919 nan 8.150 nan 0.000 0.506 4393 K N 1.004 121.369 120.400 -0.059 0.000 2.160 4393 K HA -0.224 4.095 4.320 -0.001 0.000 0.206 4393 K C 1.763 178.251 176.600 -0.187 0.000 1.047 4393 K CA 2.110 58.134 56.287 -0.439 0.000 0.930 4393 K CB -0.070 31.746 32.500 -1.140 0.000 0.720 4393 K HN 0.926 nan 8.250 nan 0.000 0.450 4394 E N 0.153 120.296 120.200 -0.095 0.000 2.208 4394 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 4394 E C 1.687 178.293 176.600 0.009 0.000 0.988 4394 E CA 0.837 57.210 56.400 -0.045 0.000 0.828 4394 E CB -0.140 29.546 29.700 -0.023 0.000 0.763 4394 E HN 0.345 nan 8.360 nan 0.000 0.478 4395 L N 0.532 121.793 121.223 0.063 0.000 2.477 4395 L HA 0.122 4.461 4.340 -0.001 0.000 0.220 4395 L C 2.360 179.300 176.870 0.117 0.000 1.106 4395 L CA -0.021 54.870 54.840 0.085 0.000 0.851 4395 L CB -0.149 41.985 42.059 0.126 0.000 0.994 4395 L HN 0.103 nan 8.230 nan 0.000 0.462 4396 I N 0.915 121.565 120.570 0.133 0.000 2.151 4396 I HA -0.239 3.930 4.170 -0.001 0.000 0.243 4396 I C -0.253 175.945 176.117 0.135 0.000 1.080 4396 I CA 1.781 63.183 61.300 0.170 0.000 1.339 4396 I CB -1.266 36.832 38.000 0.164 0.000 1.039 4396 I HN 0.209 nan 8.210 nan 0.000 0.409 4397 P HA -0.214 nan 4.420 nan 0.000 0.215 4397 P C 1.482 178.829 177.300 0.079 0.000 1.157 4397 P CA 1.520 64.660 63.100 0.066 0.000 0.868 4397 P CB 0.001 31.719 31.700 0.029 0.000 0.788 4398 E N -0.643 119.602 120.200 0.075 0.000 2.077 4398 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 4398 E C 1.964 178.650 176.600 0.144 0.000 0.989 4398 E CA 1.202 57.653 56.400 0.086 0.000 0.800 4398 E CB -0.508 29.226 29.700 0.057 0.000 0.746 4398 E HN 0.049 nan 8.360 nan 0.000 0.452 4399 A N 0.133 123.056 122.820 0.172 0.000 1.877 4399 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 4399 A C 2.390 180.102 177.584 0.213 0.000 1.186 4399 A CA 2.055 54.227 52.037 0.226 0.000 0.620 4399 A CB -0.968 18.220 19.000 0.313 0.000 0.822 4399 A HN 0.322 nan 8.150 nan 0.000 0.443 4400 T N -0.414 114.263 114.554 0.204 0.000 2.746 4400 T HA -0.131 4.218 4.350 -0.001 0.000 0.267 4400 T C 1.898 176.690 174.700 0.152 0.000 1.039 4400 T CA 1.667 63.891 62.100 0.206 0.000 1.142 4400 T CB -0.250 68.734 68.868 0.192 0.000 0.866 4400 T HN 0.595 nan 8.240 nan 0.000 0.444 4401 E N 1.610 121.869 120.200 0.099 0.000 2.058 4401 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 4401 E C 2.090 178.688 176.600 -0.002 0.000 0.997 4401 E CA 1.463 57.892 56.400 0.048 0.000 0.801 4401 E CB -0.255 29.464 29.700 0.033 0.000 0.746 4401 E HN 0.279 nan 8.360 nan 0.000 0.450 4402 K N -0.831 119.536 120.400 -0.056 0.000 2.063 4402 K HA -0.168 4.151 4.320 -0.001 0.000 0.208 4402 K C 1.909 178.351 176.600 -0.263 0.000 1.048 4402 K CA 1.727 57.846 56.287 -0.280 0.000 0.928 4402 K CB -0.645 31.413 32.500 -0.737 0.000 0.713 4402 K HN 0.277 nan 8.250 nan 0.000 0.442 4403 Y N -0.289 119.903 120.300 -0.180 0.000 2.301 4403 Y HA 0.146 4.695 4.550 -0.001 0.000 0.295 4403 Y C 1.830 177.727 175.900 -0.005 0.000 1.119 4403 Y CA 1.051 59.104 58.100 -0.078 0.000 1.162 4403 Y CB 0.224 38.693 38.460 0.016 0.000 1.046 4403 Y HN -0.072 nan 8.280 nan 0.000 0.538 4404 L N -2.358 118.980 121.223 0.192 0.000 2.316 4404 L HA 0.222 4.561 4.340 -0.001 0.000 0.207 4404 L C 2.493 179.406 176.870 0.071 0.000 1.070 4404 L CA 0.741 55.665 54.840 0.140 0.000 0.820 4404 L CB -1.108 41.050 42.059 0.165 0.000 0.992 4404 L HN 0.170 nan 8.230 nan 0.000 0.466 4405 G N 0.937 109.768 108.800 0.051 0.000 2.581 4405 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.223 4405 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.223 4405 G C 1.432 176.333 174.900 0.003 0.000 1.094 4405 G CA 0.955 46.068 45.100 0.021 0.000 0.736 4405 G HN 0.468 nan 8.290 nan 0.000 0.588 4406 G N 0.315 109.110 108.800 -0.008 0.000 2.808 4406 G HA2 0.055 4.014 3.960 -0.001 0.000 0.211 4406 G HA3 0.055 4.014 3.960 -0.001 0.000 0.211 4406 G C 1.302 176.201 174.900 -0.001 0.000 1.364 4406 G CA 2.190 47.278 45.100 -0.019 0.000 0.824 4406 G HN 0.757 nan 8.290 nan 0.000 0.630 4407 T N -2.890 111.671 114.554 0.011 0.000 2.946 4407 T HA 0.545 4.894 4.350 -0.001 0.000 0.295 4407 T C 0.011 174.726 174.700 0.026 0.000 1.143 4407 T CA 0.463 62.573 62.100 0.017 0.000 0.944 4407 T CB 1.483 70.364 68.868 0.020 0.000 1.800 4407 T HN 0.122 nan 8.240 nan 0.000 0.590 4408 D N -1.097 119.319 120.400 0.027 0.000 2.523 4408 D HA 0.172 4.811 4.640 -0.001 0.000 0.269 4408 D C -0.807 175.511 176.300 0.031 0.000 1.374 4408 D CA -0.355 53.662 54.000 0.029 0.000 0.820 4408 D CB 0.279 41.092 40.800 0.022 0.000 1.211 4408 D HN 0.584 nan 8.370 nan 0.000 0.502 4409 D N 1.545 121.965 120.400 0.034 0.000 2.385 4409 D HA -0.070 4.569 4.640 -0.001 0.000 0.260 4409 D C 1.466 177.791 176.300 0.043 0.000 1.326 4409 D CA 0.583 54.603 54.000 0.035 0.000 1.023 4409 D CB 0.841 41.663 40.800 0.036 0.000 1.083 4409 D HN -0.040 nan 8.370 nan 0.000 0.517 4410 T N 2.507 117.083 114.554 0.037 0.000 2.736 4410 T HA -0.233 4.116 4.350 -0.001 0.000 0.265 4410 T C 1.796 176.526 174.700 0.050 0.000 1.031 4410 T CA 1.862 63.985 62.100 0.039 0.000 1.155 4410 T CB 0.109 68.994 68.868 0.029 0.000 0.849 4410 T HN 0.331 nan 8.240 nan 0.000 0.471 4411 V N 0.426 120.371 119.914 0.052 0.000 2.488 4411 V HA -0.037 4.083 4.120 -0.001 0.000 0.246 4411 V C 2.580 178.723 176.094 0.081 0.000 1.046 4411 V CA 1.699 64.037 62.300 0.063 0.000 1.053 4411 V CB -0.408 31.447 31.823 0.054 0.000 0.679 4411 V HN 0.480 nan 8.190 nan 0.000 0.458 4412 K N 0.142 120.586 120.400 0.074 0.000 2.057 4412 K HA -0.176 4.143 4.320 -0.001 0.000 0.207 4412 K C 2.253 178.922 176.600 0.115 0.000 1.049 4412 K CA 1.302 57.641 56.287 0.087 0.000 0.931 4412 K CB -0.199 32.343 32.500 0.069 0.000 0.714 4412 K HN 0.369 nan 8.250 nan 0.000 0.440 4413 K N 0.913 121.377 120.400 0.107 0.000 2.103 4413 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 4413 K C 2.156 178.867 176.600 0.186 0.000 1.048 4413 K CA 1.045 57.412 56.287 0.133 0.000 0.930 4413 K CB 0.015 32.571 32.500 0.093 0.000 0.716 4413 K HN -0.025 nan 8.250 nan 0.000 0.444 4414 K N 1.601 122.095 120.400 0.158 0.000 2.057 4414 K HA -0.166 4.154 4.320 -0.001 0.000 0.206 4414 K C 1.187 177.954 176.600 0.278 0.000 1.050 4414 K CA 1.849 58.258 56.287 0.205 0.000 0.935 4414 K CB -0.114 32.474 32.500 0.146 0.000 0.715 4414 K HN 0.058 nan 8.250 nan 0.000 0.439 4415 D N 0.664 121.189 120.400 0.208 0.000 2.117 4415 D HA -0.097 4.542 4.640 -0.001 0.000 0.198 4415 D C 1.955 178.385 176.300 0.217 0.000 0.982 4415 D CA 0.974 55.092 54.000 0.196 0.000 0.828 4415 D CB -0.025 40.862 40.800 0.146 0.000 0.967 4415 D HN 0.150 nan 8.370 nan 0.000 0.464 4416 L N -0.429 120.930 121.223 0.227 0.000 2.201 4416 L HA -0.072 4.267 4.340 -0.001 0.000 0.212 4416 L C 2.053 179.088 176.870 0.275 0.000 1.105 4416 L CA 0.397 55.395 54.840 0.262 0.000 0.775 4416 L CB -0.309 41.900 42.059 0.250 0.000 0.913 4416 L HN 0.050 nan 8.230 nan 0.000 0.440 4417 F N 0.790 120.821 119.950 0.135 0.000 2.186 4417 F HA -0.172 4.354 4.527 -0.002 0.000 0.299 4417 F C 2.077 177.918 175.800 0.068 0.000 1.090 4417 F CA 1.436 59.493 58.000 0.094 0.000 1.307 4417 F CB -0.100 38.970 39.000 0.118 0.000 1.019 4417 F HN -0.119 nan 8.300 nan 0.000 0.489 4418 L N -0.294 120.999 121.223 0.117 0.000 2.156 4418 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 4418 L C 2.001 178.877 176.870 0.010 0.000 1.095 4418 L CA 0.993 55.878 54.840 0.074 0.000 0.770 4418 L CB -0.769 41.447 42.059 0.263 0.000 0.914 4418 L HN 0.052 nan 8.230 nan 0.000 0.439 4419 D N 0.211 120.653 120.400 0.070 0.000 2.144 4419 D HA -0.145 4.494 4.640 -0.001 0.000 0.200 4419 D C 2.069 178.356 176.300 -0.022 0.000 0.978 4419 D CA 0.927 54.994 54.000 0.112 0.000 0.833 4419 D CB -0.056 40.889 40.800 0.241 0.000 0.961 4419 D HN 0.146 nan 8.370 nan 0.000 0.470 4420 L N 1.148 122.203 121.223 -0.281 0.000 1.989 4420 L HA -0.118 4.221 4.340 -0.001 0.000 0.211 4420 L C 2.046 178.588 176.870 -0.547 0.000 1.071 4420 L CA 1.531 55.909 54.840 -0.769 0.000 0.749 4420 L CB -1.098 40.426 42.059 -0.892 0.000 0.890 4420 L HN -0.014 nan 8.230 nan 0.000 0.431 4421 I N 0.218 120.420 120.570 -0.613 0.000 2.226 4421 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 4421 I C 2.672 178.480 176.117 -0.515 0.000 1.100 4421 I CA 1.284 62.153 61.300 -0.719 0.000 1.374 4421 I CB -0.723 36.572 38.000 -1.175 0.000 1.057 4421 I HN 0.427 nan 8.210 nan 0.000 0.413 4422 A N 0.446 123.111 122.820 -0.260 0.000 1.933 4422 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 4422 A C 1.941 179.541 177.584 0.026 0.000 1.175 4422 A CA 2.092 54.160 52.037 0.051 0.000 0.628 4422 A CB -0.566 18.535 19.000 0.168 0.000 0.814 4422 A HN 0.341 nan 8.150 nan 0.000 0.444 4423 D N -0.367 119.998 120.400 -0.058 0.000 2.117 4423 D HA -0.092 4.547 4.640 -0.001 0.000 0.197 4423 D C 2.071 178.211 176.300 -0.265 0.000 0.987 4423 D CA 1.442 55.419 54.000 -0.037 0.000 0.829 4423 D CB -0.337 40.561 40.800 0.163 0.000 0.961 4423 D HN 0.230 nan 8.370 nan 0.000 0.460 4424 V N 0.633 120.229 119.914 -0.530 0.000 2.358 4424 V HA -0.188 3.931 4.120 -0.001 0.000 0.246 4424 V C 2.419 178.226 176.094 -0.479 0.000 1.047 4424 V CA 1.272 63.166 62.300 -0.677 0.000 1.035 4424 V CB -0.328 30.999 31.823 -0.828 0.000 0.658 4424 V HN 0.194 nan 8.190 nan 0.000 0.452 4425 M N -1.704 117.596 119.600 -0.500 0.000 2.236 4425 M HA 0.040 4.519 4.480 -0.001 0.000 0.266 4425 M C 1.837 177.653 176.300 -0.807 0.000 1.070 4425 M CA 2.067 56.936 55.300 -0.718 0.000 1.137 4425 M CB -0.088 31.931 32.600 -0.969 0.000 1.378 4425 M HN 0.347 nan 8.290 nan 0.000 0.426 4426 F N -1.829 118.041 119.950 -0.133 0.000 2.495 4426 F HA 0.338 4.864 4.527 -0.001 0.000 0.272 4426 F C 2.400 178.149 175.800 -0.085 0.000 0.919 4426 F CA 0.227 58.178 58.000 -0.081 0.000 1.178 4426 F CB -1.184 37.806 39.000 -0.016 0.000 1.030 4426 F HN 0.023 nan 8.300 nan 0.000 0.777 4427 G N 0.881 109.763 108.800 0.136 0.000 2.480 4427 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.216 4427 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.216 4427 G C 1.688 176.592 174.900 0.007 0.000 1.200 4427 G CA 1.716 46.849 45.100 0.055 0.000 0.782 4427 G HN 0.168 nan 8.290 nan 0.000 0.554 4428 V N 2.122 122.037 119.914 0.001 0.000 2.295 4428 V HA -0.099 4.020 4.120 -0.001 0.000 0.246 4428 V C 0.366 176.447 176.094 -0.022 0.000 1.049 4428 V CA 2.247 64.558 62.300 0.019 0.000 1.024 4428 V CB -1.127 30.717 31.823 0.034 0.000 0.648 4428 V HN 0.290 nan 8.190 nan 0.000 0.447 4429 P HA -0.101 nan 4.420 nan 0.000 0.216 4429 P C 1.996 179.245 177.300 -0.086 0.000 1.150 4429 P CA 1.721 64.768 63.100 -0.088 0.000 0.837 4429 P CB -0.073 31.544 31.700 -0.139 0.000 0.786 4430 S N -0.838 114.811 115.700 -0.086 0.000 2.368 4430 S HA -0.104 4.365 4.470 -0.001 0.000 0.225 4430 S C 1.986 176.473 174.600 -0.189 0.000 1.030 4430 S CA 1.180 59.295 58.200 -0.143 0.000 0.999 4430 S CB -1.179 61.936 63.200 -0.141 0.000 0.844 4430 S HN -0.033 nan 8.310 nan 0.000 0.459 4431 V N 1.921 121.752 119.914 -0.139 0.000 2.427 4431 V HA -0.100 4.019 4.120 -0.001 0.000 0.248 4431 V C 2.002 178.065 176.094 -0.051 0.000 1.051 4431 V CA 1.282 63.504 62.300 -0.130 0.000 1.048 4431 V CB -0.591 31.204 31.823 -0.046 0.000 0.666 4431 V HN 0.450 nan 8.190 nan 0.000 0.456 4432 I N -0.516 120.039 120.570 -0.023 0.000 2.252 4432 I HA -0.191 3.978 4.170 -0.001 0.000 0.245 4432 I C 2.367 178.480 176.117 -0.007 0.000 1.102 4432 I CA 1.152 62.459 61.300 0.011 0.000 1.385 4432 I CB -0.344 37.664 38.000 0.013 0.000 1.064 4432 I HN 0.147 nan 8.210 nan 0.000 0.414 4433 V N 1.051 120.928 119.914 -0.062 0.000 2.343 4433 V HA -0.284 3.835 4.120 -0.001 0.000 0.247 4433 V C 2.716 178.769 176.094 -0.068 0.000 1.051 4433 V CA 1.986 64.241 62.300 -0.076 0.000 1.036 4433 V CB -0.925 30.825 31.823 -0.121 0.000 0.654 4433 V HN 0.486 nan 8.190 nan 0.000 0.451 4434 A N -0.094 122.629 122.820 -0.161 0.000 1.877 4434 A HA -0.233 4.087 4.320 -0.001 0.000 0.216 4434 A C 2.368 180.018 177.584 0.110 0.000 1.186 4434 A CA 1.876 53.805 52.037 -0.181 0.000 0.620 4434 A CB -0.498 18.183 19.000 -0.532 0.000 0.822 4434 A HN 0.501 nan 8.150 nan 0.000 0.443 4435 R N -0.281 120.323 120.500 0.173 0.000 2.073 4435 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 4435 R C 2.058 178.476 176.300 0.198 0.000 1.134 4435 R CA 1.495 57.752 56.100 0.262 0.000 0.952 4435 R CB -0.394 30.026 30.300 0.199 0.000 0.850 4435 R HN 0.592 nan 8.270 nan 0.000 0.433 4436 N N -0.148 118.649 118.700 0.163 0.000 2.120 4436 N HA -0.183 4.556 4.740 -0.001 0.000 0.188 4436 N C 1.739 177.428 175.510 0.299 0.000 1.024 4436 N CA 1.241 54.407 53.050 0.192 0.000 0.852 4436 N CB -0.168 38.408 38.487 0.147 0.000 1.003 4436 N HN 0.314 nan 8.380 nan 0.000 0.424 4437 H N 1.579 120.756 119.070 0.178 0.000 2.321 4437 H HA -0.007 4.549 4.556 -0.001 0.000 0.300 4437 H C 2.330 177.823 175.328 0.276 0.000 1.087 4437 H CA 1.699 57.912 56.048 0.275 0.000 1.319 4437 H CB 0.033 29.920 29.762 0.208 0.000 1.379 4437 H HN 0.058 nan 8.280 nan 0.000 0.501 4438 R N 0.410 121.095 120.500 0.307 0.000 2.083 4438 R HA -0.144 4.195 4.340 -0.001 0.000 0.237 4438 R C 1.102 177.475 176.300 0.122 0.000 1.137 4438 R CA 2.057 58.282 56.100 0.208 0.000 0.951 4438 R CB -0.231 30.206 30.300 0.227 0.000 0.851 4438 R HN 0.391 nan 8.270 nan 0.000 0.434 4439 D N 0.198 120.676 120.400 0.130 0.000 2.350 4439 D HA -0.079 4.560 4.640 -0.001 0.000 0.216 4439 D C 1.213 177.546 176.300 0.053 0.000 0.968 4439 D CA 1.109 55.159 54.000 0.083 0.000 0.894 4439 D CB 0.102 40.956 40.800 0.089 0.000 0.909 4439 D HN 0.428 nan 8.370 nan 0.000 0.520 4440 A N -0.349 122.509 122.820 0.063 0.000 2.251 4440 A HA 0.428 4.747 4.320 -0.001 0.000 0.209 4440 A C 1.757 179.300 177.584 -0.068 0.000 1.187 4440 A CA 0.855 52.867 52.037 -0.041 0.000 0.823 4440 A CB -0.027 18.914 19.000 -0.097 0.000 0.846 4440 A HN 0.212 nan 8.150 nan 0.000 0.486 4441 G N -2.136 106.653 108.800 -0.019 0.000 2.141 4441 G HA2 0.129 4.089 3.960 -0.001 0.000 0.242 4441 G HA3 0.129 4.089 3.960 -0.001 0.000 0.242 4441 G C 0.288 175.186 174.900 -0.004 0.000 0.982 4441 G CA 0.240 45.332 45.100 -0.014 0.000 0.662 4441 G HN 1.560 nan 8.290 nan 0.000 0.527 4442 A N 0.164 122.978 122.820 -0.009 0.000 2.303 4442 A HA 0.840 5.159 4.320 -0.001 0.000 0.317 4442 A C -2.163 175.523 177.584 0.171 0.000 1.149 4442 A CA -1.565 50.502 52.037 0.051 0.000 0.822 4442 A CB 0.995 19.951 19.000 -0.073 0.000 1.131 4442 A HN 0.084 nan 8.150 nan 0.000 0.493 4443 P HA 0.229 nan 4.420 nan 0.000 0.263 4443 P C -0.489 176.961 177.300 0.250 0.000 1.195 4443 P CA 0.693 63.893 63.100 0.167 0.000 0.762 4443 P CB 0.711 32.535 31.700 0.206 0.000 0.799 4444 T N 3.052 117.636 114.554 0.050 0.000 2.900 4444 T HA 0.582 4.931 4.350 -0.001 0.000 0.295 4444 T C -1.113 173.415 174.700 -0.287 0.000 1.044 4444 T CA -0.282 61.857 62.100 0.066 0.000 0.995 4444 T CB 0.873 69.865 68.868 0.206 0.000 1.072 4444 T HN 0.119 nan 8.240 nan 0.000 0.473 4445 Y N 0.868 121.134 120.300 -0.056 0.000 2.504 4445 Y HA 0.677 5.226 4.550 -0.001 0.000 0.344 4445 Y C -0.162 175.688 175.900 -0.082 0.000 1.023 4445 Y CA -1.086 56.953 58.100 -0.102 0.000 1.020 4445 Y CB 2.073 40.200 38.460 -0.555 0.000 1.282 4445 Y HN 0.370 nan 8.280 nan 0.000 0.454 4446 M N 3.399 123.201 119.600 0.335 0.000 2.572 4446 M HA 0.541 5.020 4.480 -0.001 0.000 0.299 4446 M C -1.593 174.971 176.300 0.441 0.000 1.205 4446 M CA -1.003 54.371 55.300 0.124 0.000 0.876 4446 M CB 3.156 35.608 32.600 -0.246 0.000 1.728 4446 M HN 0.765 nan 8.290 nan 0.000 0.458 4447 Y N -1.359 119.073 120.300 0.220 0.000 2.597 4447 Y HA 0.746 5.295 4.550 -0.001 0.000 0.340 4447 Y C -1.586 174.413 175.900 0.166 0.000 1.097 4447 Y CA -0.975 57.209 58.100 0.141 0.000 1.037 4447 Y CB 1.613 40.068 38.460 -0.008 0.000 1.305 4447 Y HN 0.700 nan 8.280 nan 0.000 0.463 4448 E N 2.631 123.110 120.200 0.465 0.000 2.244 4448 E HA 0.334 4.683 4.350 -0.001 0.000 0.260 4448 E C -2.211 174.659 176.600 0.450 0.000 0.884 4448 E CA -0.852 55.768 56.400 0.367 0.000 0.777 4448 E CB 1.338 31.210 29.700 0.286 0.000 1.197 4448 E HN 0.636 nan 8.360 nan 0.000 0.416 4449 F N 3.765 123.928 119.950 0.356 0.000 2.411 4449 F HA 0.280 4.806 4.527 -0.001 0.000 0.350 4449 F C -0.393 175.516 175.800 0.182 0.000 1.114 4449 F CA -0.112 58.030 58.000 0.237 0.000 1.135 4449 F CB 1.115 40.260 39.000 0.242 0.000 1.120 4449 F HN 0.428 nan 8.300 nan 0.000 0.495 4450 Q N 6.984 126.546 119.800 -0.397 0.000 2.533 4450 Q HA 0.279 4.618 4.340 -0.001 0.000 0.251 4450 Q C -2.271 173.551 176.000 -0.297 0.000 0.966 4450 Q CA -0.602 55.076 55.803 -0.208 0.000 0.714 4450 Q CB 1.179 29.886 28.738 -0.051 0.000 1.284 4450 Q HN 0.820 nan 8.270 nan 0.000 0.478 4451 Y N 0.965 121.002 120.300 -0.439 0.000 2.604 4451 Y HA 0.379 4.928 4.550 -0.002 0.000 0.331 4451 Y C -1.975 173.908 175.900 -0.027 0.000 1.158 4451 Y CA -0.841 57.086 58.100 -0.288 0.000 1.056 4451 Y CB 1.486 39.669 38.460 -0.462 0.000 1.330 4451 Y HN 0.505 nan 8.280 nan 0.000 0.457 4452 R N 6.238 126.378 120.500 -0.599 0.000 2.275 4452 R HA 0.479 4.818 4.340 -0.001 0.000 0.326 4452 R C -2.833 173.209 176.300 -0.431 0.000 0.973 4452 R CA -2.060 53.837 56.100 -0.338 0.000 0.854 4452 R CB 1.095 31.206 30.300 -0.315 0.000 1.156 4452 R HN 0.415 nan 8.270 nan 0.000 0.487 4453 P HA -0.011 nan 4.420 nan 0.000 0.271 4453 P C 0.238 177.313 177.300 -0.374 0.000 1.218 4453 P CA -0.014 63.039 63.100 -0.080 0.000 0.780 4453 P CB 1.460 33.227 31.700 0.112 0.000 0.901 4454 S N 1.234 116.558 115.700 -0.627 0.000 2.481 4454 S HA -0.082 4.387 4.470 -0.001 0.000 0.231 4454 S C 1.317 175.519 174.600 -0.663 0.000 0.996 4454 S CA 0.478 58.292 58.200 -0.643 0.000 0.942 4454 S CB -1.170 61.610 63.200 -0.700 0.000 0.768 4454 S HN 0.403 nan 8.310 nan 0.000 0.520 4455 F N 2.541 122.231 119.950 -0.434 0.000 2.811 4455 F HA 0.284 4.810 4.527 -0.001 0.000 0.301 4455 F C 1.327 176.844 175.800 -0.471 0.000 1.151 4455 F CA -0.427 57.230 58.000 -0.572 0.000 1.412 4455 F CB -0.509 37.835 39.000 -1.095 0.000 1.113 4455 F HN 0.030 nan 8.300 nan 0.000 0.579 4456 S N 0.169 115.725 115.700 -0.238 0.000 2.569 4456 S HA -0.010 4.460 4.470 -0.001 0.000 0.274 4456 S C 0.582 175.138 174.600 -0.073 0.000 1.353 4456 S CA -0.566 57.579 58.200 -0.093 0.000 1.023 4456 S CB 0.767 63.879 63.200 -0.146 0.000 0.876 4456 S HN 0.287 nan 8.310 nan 0.000 0.540 4457 S N 0.502 116.189 115.700 -0.022 0.000 2.568 4457 S HA -0.006 4.463 4.470 -0.001 0.000 0.282 4457 S C 0.767 175.288 174.600 -0.132 0.000 1.338 4457 S CA -0.553 57.640 58.200 -0.011 0.000 1.045 4457 S CB 0.159 63.440 63.200 0.135 0.000 0.873 4457 S HN 0.612 nan 8.310 nan 0.000 0.516 4458 D N 3.581 123.940 120.400 -0.069 0.000 2.219 4458 D HA -0.080 4.559 4.640 -0.001 0.000 0.205 4458 D C 1.557 177.790 176.300 -0.113 0.000 0.970 4458 D CA 1.317 55.263 54.000 -0.091 0.000 0.851 4458 D CB -0.109 40.665 40.800 -0.043 0.000 0.943 4458 D HN 0.636 nan 8.370 nan 0.000 0.488 4459 M N 0.121 119.678 119.600 -0.072 0.000 2.562 4459 M HA -0.023 4.456 4.480 -0.001 0.000 0.257 4459 M C 1.006 177.129 176.300 -0.294 0.000 1.099 4459 M CA 0.394 55.685 55.300 -0.015 0.000 1.099 4459 M CB 0.144 32.891 32.600 0.246 0.000 1.427 4459 M HN -0.255 nan 8.290 nan 0.000 0.489 4460 K N 3.417 123.376 120.400 -0.736 0.000 2.316 4460 K HA 0.192 4.511 4.320 -0.001 0.000 0.289 4460 K C -2.224 173.984 176.600 -0.653 0.000 1.070 4460 K CA -1.703 53.792 56.287 -1.320 0.000 0.928 4460 K CB 0.666 32.373 32.500 -1.322 0.000 1.039 4460 K HN -0.076 nan 8.250 nan 0.000 0.480 4461 P HA -0.064 nan 4.420 nan 0.000 0.267 4461 P C -0.139 177.023 177.300 -0.229 0.000 1.200 4461 P CA 0.065 63.008 63.100 -0.262 0.000 0.772 4461 P CB 0.958 32.566 31.700 -0.153 0.000 0.855 4462 K N 1.608 121.908 120.400 -0.166 0.000 2.211 4462 K HA -0.135 4.184 4.320 -0.001 0.000 0.204 4462 K C 1.502 178.029 176.600 -0.121 0.000 1.047 4462 K CA 1.943 58.142 56.287 -0.148 0.000 0.935 4462 K CB -0.373 32.056 32.500 -0.118 0.000 0.728 4462 K HN 0.600 nan 8.250 nan 0.000 0.452 4463 T N -1.913 112.587 114.554 -0.091 0.000 3.118 4463 T HA 0.068 4.417 4.350 -0.001 0.000 0.260 4463 T C 0.629 175.307 174.700 -0.037 0.000 1.139 4463 T CA -0.096 61.972 62.100 -0.054 0.000 1.085 4463 T CB -0.003 68.852 68.868 -0.022 0.000 0.934 4463 T HN -0.127 nan 8.240 nan 0.000 0.518 4464 V N 3.559 123.437 119.914 -0.060 0.000 2.408 4464 V HA 0.354 4.473 4.120 -0.001 0.000 0.267 4464 V C -0.172 175.912 176.094 -0.017 0.000 1.047 4464 V CA -0.744 61.550 62.300 -0.011 0.000 0.937 4464 V CB 0.327 32.140 31.823 -0.016 0.000 0.999 4464 V HN 0.400 nan 8.190 nan 0.000 0.472 4465 I N 3.641 124.224 120.570 0.020 0.000 2.465 4465 I HA 0.556 4.725 4.170 -0.001 0.000 0.291 4465 I C 0.930 177.100 176.117 0.088 0.000 1.014 4465 I CA -0.343 60.964 61.300 0.011 0.000 1.093 4465 I CB 0.961 38.946 38.000 -0.026 0.000 1.267 4465 I HN 0.816 nan 8.210 nan 0.000 0.431 4466 G N 4.206 113.093 108.800 0.145 0.000 2.272 4466 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.280 4466 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.280 4466 G C 0.026 175.083 174.900 0.261 0.000 1.067 4466 G CA 0.242 45.502 45.100 0.266 0.000 0.902 4466 G HN 0.699 nan 8.290 nan 0.000 0.500 4467 D N -0.771 119.779 120.400 0.251 0.000 2.371 4467 D HA 0.327 4.966 4.640 -0.001 0.000 0.242 4467 D C 0.950 177.409 176.300 0.265 0.000 1.218 4467 D CA -0.452 53.702 54.000 0.258 0.000 0.945 4467 D CB 0.350 41.325 40.800 0.293 0.000 1.137 4467 D HN 0.373 nan 8.370 nan 0.000 0.464 4468 H N -0.448 118.704 119.070 0.137 0.000 3.070 4468 H HA 0.303 4.858 4.556 -0.001 0.000 0.313 4468 H C 1.313 176.734 175.328 0.155 0.000 0.997 4468 H CA 1.739 57.830 56.048 0.071 0.000 1.438 4468 H CB 0.060 29.849 29.762 0.045 0.000 1.455 4468 H HN 0.561 nan 8.280 nan 0.000 0.575 4469 G N 4.296 112.885 108.800 -0.352 0.000 2.199 4469 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.254 4469 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.254 4469 G C 1.208 175.943 174.900 -0.276 0.000 0.982 4469 G CA 0.480 45.278 45.100 -0.504 0.000 0.632 4469 G HN 0.646 nan 8.290 nan 0.000 0.529 4470 D N 0.979 121.393 120.400 0.022 0.000 2.218 4470 D HA -0.049 4.590 4.640 -0.001 0.000 0.204 4470 D C 2.430 178.708 176.300 -0.037 0.000 0.976 4470 D CA 1.374 55.515 54.000 0.236 0.000 0.853 4470 D CB -0.069 41.001 40.800 0.450 0.000 0.939 4470 D HN 0.734 nan 8.370 nan 0.000 0.481 4471 E N 1.202 121.046 120.200 -0.593 0.000 2.274 4471 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 4471 E C 2.176 178.424 176.600 -0.587 0.000 0.996 4471 E CA 0.254 55.945 56.400 -1.181 0.000 0.840 4471 E CB -0.658 28.313 29.700 -1.215 0.000 0.772 4471 E HN 0.319 nan 8.360 nan 0.000 0.491 4472 L N -0.161 120.787 121.223 -0.459 0.000 2.079 4472 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 4472 L C 2.606 179.274 176.870 -0.337 0.000 1.081 4472 L CA 1.581 56.175 54.840 -0.410 0.000 0.752 4472 L CB -0.665 41.031 42.059 -0.605 0.000 0.896 4472 L HN 0.014 nan 8.230 nan 0.000 0.433 4473 F N -0.452 119.440 119.950 -0.097 0.000 2.171 4473 F HA -0.217 4.309 4.527 -0.002 0.000 0.300 4473 F C 2.664 178.432 175.800 -0.054 0.000 1.090 4473 F CA 1.361 59.336 58.000 -0.042 0.000 1.293 4473 F CB -0.426 38.664 39.000 0.149 0.000 1.013 4473 F HN -0.007 nan 8.300 nan 0.000 0.486 4474 S N -0.230 115.498 115.700 0.046 0.000 2.362 4474 S HA -0.102 4.367 4.470 -0.001 0.000 0.221 4474 S C 2.259 176.716 174.600 -0.239 0.000 1.032 4474 S CA 0.948 59.109 58.200 -0.065 0.000 0.973 4474 S CB -0.489 62.656 63.200 -0.092 0.000 0.849 4474 S HN 0.099 nan 8.310 nan 0.000 0.465 4475 V N 0.828 120.485 119.914 -0.428 0.000 2.332 4475 V HA -0.141 3.978 4.120 -0.001 0.000 0.248 4475 V C 1.463 177.225 176.094 -0.553 0.000 1.055 4475 V CA 1.664 63.578 62.300 -0.643 0.000 1.038 4475 V CB -0.657 30.730 31.823 -0.727 0.000 0.651 4475 V HN 0.459 nan 8.190 nan 0.000 0.450 4476 F N 0.251 120.021 119.950 -0.301 0.000 2.660 4476 F HA 0.439 4.965 4.527 -0.001 0.000 0.302 4476 F C 1.670 177.383 175.800 -0.146 0.000 1.103 4476 F CA 0.522 58.376 58.000 -0.244 0.000 1.340 4476 F CB -0.190 38.623 39.000 -0.312 0.000 1.048 4476 F HN 0.248 nan 8.300 nan 0.000 0.551 4477 G N 0.827 109.639 108.800 0.021 0.000 2.305 4477 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.287 4477 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.287 4477 G C 1.312 176.278 174.900 0.110 0.000 1.036 4477 G CA 0.326 45.523 45.100 0.162 0.000 0.887 4477 G HN 0.574 nan 8.290 nan 0.000 0.505 4478 A N 0.085 122.886 122.820 -0.031 0.000 1.986 4478 A HA 0.053 4.372 4.320 -0.001 0.000 0.220 4478 A C 0.631 177.996 177.584 -0.364 0.000 1.171 4478 A CA 2.200 54.080 52.037 -0.261 0.000 0.640 4478 A CB -0.793 17.939 19.000 -0.447 0.000 0.811 4478 A HN 0.484 nan 8.150 nan 0.000 0.451 4479 P HA -0.097 nan 4.420 nan 0.000 0.223 4479 P C 0.445 177.397 177.300 -0.579 0.000 1.144 4479 P CA 0.893 63.784 63.100 -0.348 0.000 0.783 4479 P CB -0.137 31.238 31.700 -0.542 0.000 0.771 4480 F N -2.863 117.103 119.950 0.026 0.000 2.695 4480 F HA 0.230 4.756 4.527 -0.002 0.000 0.303 4480 F C 1.732 177.560 175.800 0.046 0.000 1.091 4480 F CA 0.204 58.245 58.000 0.068 0.000 1.300 4480 F CB -0.183 38.879 39.000 0.103 0.000 1.071 4480 F HN -0.183 nan 8.300 nan 0.000 0.578 4481 L N -1.236 120.032 121.223 0.075 0.000 2.586 4481 L HA 0.226 4.565 4.340 -0.001 0.000 0.204 4481 L C 0.911 177.772 176.870 -0.016 0.000 1.053 4481 L CA 0.221 55.083 54.840 0.036 0.000 0.856 4481 L CB 0.033 42.091 42.059 -0.002 0.000 1.192 4481 L HN -0.196 nan 8.230 nan 0.000 0.484 4482 K N 0.747 121.087 120.400 -0.100 0.000 2.209 4482 K HA 0.292 4.611 4.320 -0.001 0.000 0.238 4482 K C -0.429 176.204 176.600 0.055 0.000 1.028 4482 K CA -0.471 55.778 56.287 -0.063 0.000 0.935 4482 K CB 0.931 33.293 32.500 -0.230 0.000 1.162 4482 K HN 0.069 nan 8.250 nan 0.000 0.485 4483 E N -1.399 118.874 120.200 0.121 0.000 2.339 4483 E HA 0.496 4.845 4.350 -0.001 0.000 0.262 4483 E C 0.080 176.750 176.600 0.117 0.000 0.934 4483 E CA -1.110 55.355 56.400 0.108 0.000 0.802 4483 E CB 1.690 31.425 29.700 0.058 0.000 1.275 4483 E HN 0.658 nan 8.360 nan 0.000 0.427 4484 G N -0.351 108.473 108.800 0.040 0.000 2.176 4484 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.232 4484 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.232 4484 G C 0.262 175.102 174.900 -0.100 0.000 0.986 4484 G CA -0.178 44.904 45.100 -0.031 0.000 0.643 4484 G HN 0.875 nan 8.290 nan 0.000 0.522 4485 A N 0.729 123.511 122.820 -0.063 0.000 2.450 4485 A HA 0.708 5.027 4.320 -0.001 0.000 0.255 4485 A C 1.084 178.615 177.584 -0.088 0.000 1.096 4485 A CA 0.957 52.919 52.037 -0.125 0.000 0.778 4485 A CB 0.311 19.301 19.000 -0.018 0.000 1.031 4485 A HN 1.955 nan 8.150 nan 0.000 0.494 4486 S N 1.292 116.937 115.700 -0.092 0.000 2.608 4486 S HA 0.180 4.649 4.470 -0.001 0.000 0.261 4486 S C 0.902 175.482 174.600 -0.033 0.000 1.314 4486 S CA 0.396 58.565 58.200 -0.051 0.000 0.992 4486 S CB 0.780 63.956 63.200 -0.040 0.000 0.935 4486 S HN 0.768 nan 8.310 nan 0.000 0.564 4487 E N 0.540 120.730 120.200 -0.017 0.000 2.153 4487 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 4487 E C 1.876 178.471 176.600 -0.008 0.000 0.988 4487 E CA 1.806 58.203 56.400 -0.005 0.000 0.811 4487 E CB -0.339 29.363 29.700 0.004 0.000 0.746 4487 E HN 0.853 nan 8.360 nan 0.000 0.466 4488 E N 0.179 120.376 120.200 -0.005 0.000 2.072 4488 E HA -0.243 4.106 4.350 -0.001 0.000 0.191 4488 E C 1.984 178.553 176.600 -0.052 0.000 0.985 4488 E CA 1.257 57.652 56.400 -0.009 0.000 0.801 4488 E CB -0.144 29.576 29.700 0.034 0.000 0.750 4488 E HN 0.407 nan 8.360 nan 0.000 0.452 4489 E N 0.178 120.368 120.200 -0.016 0.000 2.152 4489 E HA -0.128 4.221 4.350 -0.001 0.000 0.192 4489 E C 2.141 178.695 176.600 -0.076 0.000 0.983 4489 E CA 0.770 57.144 56.400 -0.044 0.000 0.818 4489 E CB 0.016 29.737 29.700 0.034 0.000 0.758 4489 E HN 0.363 nan 8.360 nan 0.000 0.467 4490 I N 0.476 121.001 120.570 -0.075 0.000 2.163 4490 I HA -0.256 3.913 4.170 -0.001 0.000 0.240 4490 I C 2.804 178.932 176.117 0.018 0.000 1.081 4490 I CA 1.046 62.283 61.300 -0.105 0.000 1.353 4490 I CB -0.266 37.697 38.000 -0.062 0.000 1.054 4490 I HN 0.074 nan 8.210 nan 0.000 0.407 4491 R N 0.887 121.394 120.500 0.010 0.000 2.105 4491 R HA -0.223 4.116 4.340 -0.001 0.000 0.239 4491 R C 2.363 178.646 176.300 -0.028 0.000 1.135 4491 R CA 1.524 57.633 56.100 0.015 0.000 0.967 4491 R CB -0.288 30.007 30.300 -0.007 0.000 0.861 4491 R HN 0.228 nan 8.270 nan 0.000 0.442 4492 L N 0.323 121.489 121.223 -0.095 0.000 2.046 4492 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 4492 L C 2.296 179.119 176.870 -0.078 0.000 1.077 4492 L CA 2.186 56.939 54.840 -0.145 0.000 0.747 4492 L CB -0.701 41.150 42.059 -0.346 0.000 0.896 4492 L HN 0.151 nan 8.230 nan 0.000 0.432 4493 S N -0.904 114.776 115.700 -0.034 0.000 2.355 4493 S HA -0.203 4.266 4.470 -0.001 0.000 0.222 4493 S C 2.068 176.680 174.600 0.020 0.000 1.031 4493 S CA 1.445 59.648 58.200 0.005 0.000 0.993 4493 S CB -0.197 63.048 63.200 0.074 0.000 0.859 4493 S HN 0.534 nan 8.310 nan 0.000 0.453 4494 K N 0.541 120.996 120.400 0.092 0.000 2.032 4494 K HA -0.123 4.196 4.320 -0.001 0.000 0.209 4494 K C 2.339 178.911 176.600 -0.046 0.000 1.048 4494 K CA 1.764 58.073 56.287 0.037 0.000 0.927 4494 K CB -0.318 32.241 32.500 0.097 0.000 0.712 4494 K HN 0.451 nan 8.250 nan 0.000 0.441 4495 M N 0.857 120.412 119.600 -0.076 0.000 2.086 4495 M HA -0.185 4.294 4.480 -0.001 0.000 0.261 4495 M C 2.001 178.213 176.300 -0.147 0.000 1.067 4495 M CA 1.632 56.823 55.300 -0.182 0.000 1.116 4495 M CB 0.017 32.521 32.600 -0.159 0.000 1.348 4495 M HN -0.032 nan 8.290 nan 0.000 0.407 4496 V N 0.918 120.800 119.914 -0.052 0.000 2.295 4496 V HA -0.317 3.802 4.120 -0.001 0.000 0.246 4496 V C 2.449 178.497 176.094 -0.077 0.000 1.049 4496 V CA 2.001 64.267 62.300 -0.057 0.000 1.024 4496 V CB -0.656 30.952 31.823 -0.359 0.000 0.648 4496 V HN 0.558 nan 8.190 nan 0.000 0.447 4497 M N -0.887 118.626 119.600 -0.145 0.000 2.149 4497 M HA -0.186 4.293 4.480 -0.001 0.000 0.261 4497 M C 2.388 178.724 176.300 0.060 0.000 1.064 4497 M CA 1.622 56.862 55.300 -0.100 0.000 1.102 4497 M CB -0.506 32.013 32.600 -0.136 0.000 1.369 4497 M HN 0.166 nan 8.290 nan 0.000 0.408 4498 K N 0.484 120.903 120.400 0.032 0.000 2.026 4498 K HA -0.072 4.247 4.320 -0.001 0.000 0.208 4498 K C 1.765 178.476 176.600 0.183 0.000 1.048 4498 K CA 1.673 57.983 56.287 0.039 0.000 0.929 4498 K CB -0.627 31.817 32.500 -0.094 0.000 0.713 4498 K HN 0.327 nan 8.250 nan 0.000 0.439 4499 F N -0.745 119.356 119.950 0.251 0.000 2.095 4499 F HA -0.265 4.262 4.527 -0.001 0.000 0.298 4499 F C 2.541 178.543 175.800 0.336 0.000 1.104 4499 F CA 0.701 58.907 58.000 0.343 0.000 1.232 4499 F CB -0.244 39.129 39.000 0.622 0.000 0.987 4499 F HN 0.226 nan 8.300 nan 0.000 0.475 4500 W N 0.004 121.420 121.300 0.194 0.000 2.335 4500 W HA -0.241 4.418 4.660 -0.001 0.000 0.311 4500 W C 2.590 179.126 176.519 0.028 0.000 1.213 4500 W CA 0.987 58.362 57.345 0.051 0.000 1.274 4500 W CB -0.546 28.879 29.460 -0.059 0.000 1.148 4500 W HN -0.008 nan 8.180 nan 0.000 0.498 4501 A N 0.267 123.229 122.820 0.237 0.000 1.968 4501 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 4501 A C 1.684 179.324 177.584 0.094 0.000 1.169 4501 A CA 1.536 53.637 52.037 0.106 0.000 0.638 4501 A CB -0.853 18.190 19.000 0.072 0.000 0.812 4501 A HN 0.213 nan 8.150 nan 0.000 0.446 4502 N N -0.834 117.947 118.700 0.136 0.000 2.188 4502 N HA -0.117 4.622 4.740 -0.001 0.000 0.184 4502 N C 1.354 176.906 175.510 0.070 0.000 1.018 4502 N CA 1.269 54.379 53.050 0.101 0.000 0.858 4502 N CB -0.564 38.008 38.487 0.143 0.000 0.989 4502 N HN 0.501 nan 8.380 nan 0.000 0.426 4503 F N 1.735 121.624 119.950 -0.101 0.000 2.102 4503 F HA -0.075 4.451 4.527 -0.002 0.000 0.298 4503 F C 2.179 177.906 175.800 -0.122 0.000 1.105 4503 F CA 1.266 59.144 58.000 -0.204 0.000 1.239 4503 F CB -0.587 38.201 39.000 -0.353 0.000 0.991 4503 F HN 0.033 nan 8.300 nan 0.000 0.474 4504 A N 0.481 123.271 122.820 -0.051 0.000 1.908 4504 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 4504 A C 2.393 179.902 177.584 -0.125 0.000 1.181 4504 A CA 1.895 53.862 52.037 -0.117 0.000 0.627 4504 A CB -0.740 18.230 19.000 -0.050 0.000 0.818 4504 A HN 0.447 nan 8.150 nan 0.000 0.445 4505 R N -0.789 119.667 120.500 -0.073 0.000 2.062 4505 R HA -0.053 4.286 4.340 -0.001 0.000 0.231 4505 R C 0.990 177.235 176.300 -0.092 0.000 1.136 4505 R CA 1.549 57.613 56.100 -0.060 0.000 0.948 4505 R CB -0.163 30.126 30.300 -0.019 0.000 0.845 4505 R HN 0.550 nan 8.270 nan 0.000 0.430 4506 N N -1.621 117.013 118.700 -0.109 0.000 2.197 4506 N HA 0.081 4.820 4.740 -0.001 0.000 0.201 4506 N C 0.667 176.076 175.510 -0.169 0.000 1.148 4506 N CA 0.853 53.841 53.050 -0.104 0.000 0.883 4506 N CB 1.671 40.134 38.487 -0.040 0.000 1.012 4506 N HN 0.347 nan 8.380 nan 0.000 0.507 4507 G N 1.540 110.112 108.800 -0.379 0.000 2.153 4507 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.252 4507 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.252 4507 G C -0.151 174.654 174.900 -0.158 0.000 0.994 4507 G CA 0.273 45.041 45.100 -0.552 0.000 0.698 4507 G HN 0.475 nan 8.290 nan 0.000 0.521 4508 N N -0.547 118.105 118.700 -0.080 0.000 2.503 4508 N HA 0.380 5.119 4.740 -0.001 0.000 0.287 4508 N C -1.722 173.710 175.510 -0.130 0.000 1.096 4508 N CA -1.317 51.689 53.050 -0.074 0.000 0.936 4508 N CB 2.278 40.789 38.487 0.040 0.000 1.570 4508 N HN -0.053 nan 8.380 nan 0.000 0.504 4509 P HA -0.031 nan 4.420 nan 0.000 0.229 4509 P C -0.213 177.192 177.300 0.174 0.000 1.160 4509 P CA 0.388 63.375 63.100 -0.189 0.000 0.777 4509 P CB 0.358 31.588 31.700 -0.783 0.000 0.814 4510 N N 0.830 119.585 118.700 0.092 0.000 2.441 4510 N HA 0.260 4.999 4.740 -0.001 0.000 0.251 4510 N C 0.825 176.459 175.510 0.206 0.000 1.242 4510 N CA 1.108 54.309 53.050 0.252 0.000 0.898 4510 N CB 0.536 39.147 38.487 0.207 0.000 1.100 4510 N HN 0.141 nan 8.380 nan 0.000 0.443 4511 G N 0.257 109.182 108.800 0.207 0.000 2.601 4511 G HA2 0.179 4.138 3.960 -0.001 0.000 0.291 4511 G HA3 0.179 4.138 3.960 -0.001 0.000 0.291 4511 G C -1.339 173.621 174.900 0.100 0.000 1.456 4511 G CA -0.686 44.488 45.100 0.123 0.000 0.804 4511 G HN 0.421 nan 8.290 nan 0.000 0.499 4512 E N -0.339 119.904 120.200 0.071 0.000 2.414 4512 E HA 0.371 4.720 4.350 -0.001 0.000 0.263 4512 E C 1.258 177.877 176.600 0.033 0.000 1.000 4512 E CA 1.253 57.687 56.400 0.057 0.000 0.914 4512 E CB 0.921 30.647 29.700 0.044 0.000 0.948 4512 E HN 1.563 nan 8.360 nan 0.000 0.444 4513 G N 2.644 111.464 108.800 0.034 0.000 2.195 4513 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.246 4513 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.246 4513 G C 0.092 174.985 174.900 -0.011 0.000 0.984 4513 G CA -0.161 44.945 45.100 0.010 0.000 0.633 4513 G HN 0.380 nan 8.290 nan 0.000 0.525 4514 L N 1.039 122.262 121.223 0.000 0.000 2.331 4514 L HA 0.551 4.890 4.340 -0.001 0.000 0.275 4514 L C -1.926 175.032 176.870 0.146 0.000 1.022 4514 L CA -2.327 52.487 54.840 -0.043 0.000 0.812 4514 L CB 1.509 43.439 42.059 -0.214 0.000 1.257 4514 L HN -0.134 nan 8.230 nan 0.000 0.435 4515 P HA 0.019 nan 4.420 nan 0.000 0.269 4515 P C -0.840 176.701 177.300 0.403 0.000 1.209 4515 P CA -0.170 63.093 63.100 0.272 0.000 0.776 4515 P CB 0.288 32.128 31.700 0.234 0.000 0.876 4516 H N 1.907 121.123 119.070 0.243 0.000 2.886 4516 H HA 0.141 4.697 4.556 -0.001 0.000 0.329 4516 H C -1.021 174.493 175.328 0.310 0.000 1.044 4516 H CA 0.212 56.421 56.048 0.267 0.000 1.456 4516 H CB 0.193 30.065 29.762 0.183 0.000 1.464 4516 H HN 0.357 nan 8.280 nan 0.000 0.573 4517 W N 9.888 130.890 121.300 -0.497 0.000 2.336 4517 W HA 0.317 4.976 4.660 -0.002 0.000 0.315 4517 W C -2.831 173.460 176.519 -0.380 0.000 1.016 4517 W CA -3.235 53.901 57.345 -0.348 0.000 1.318 4517 W CB 0.921 30.149 29.460 -0.387 0.000 1.247 4517 W HN 0.567 nan 8.180 nan 0.000 0.414 4518 P HA 0.034 nan 4.420 nan 0.000 0.271 4518 P C -0.292 177.189 177.300 0.302 0.000 1.218 4518 P CA 0.161 63.403 63.100 0.237 0.000 0.780 4518 P CB 1.440 33.297 31.700 0.261 0.000 0.901 4519 E N 1.886 122.151 120.200 0.107 0.000 2.383 4519 E HA -0.045 4.304 4.350 -0.001 0.000 0.264 4519 E C -0.899 175.650 176.600 -0.086 0.000 1.050 4519 E CA -0.489 55.727 56.400 -0.307 0.000 0.896 4519 E CB 0.185 29.709 29.700 -0.294 0.000 0.982 4519 E HN 0.371 nan 8.360 nan 0.000 0.424 4520 Y N 5.911 126.055 120.300 -0.260 0.000 2.568 4520 Y HA 0.081 4.630 4.550 -0.001 0.000 0.338 4520 Y C -0.395 175.474 175.900 -0.052 0.000 1.245 4520 Y CA -0.377 57.686 58.100 -0.060 0.000 1.667 4520 Y CB -0.722 37.716 38.460 -0.037 0.000 1.568 4520 Y HN 0.513 nan 8.280 nan 0.000 0.471 4521 N N 0.370 118.933 118.700 -0.227 0.000 2.786 4521 N HA 0.091 4.830 4.740 -0.001 0.000 0.315 4521 N C 0.755 176.104 175.510 -0.267 0.000 1.359 4521 N CA -0.318 52.623 53.050 -0.181 0.000 0.846 4521 N CB 0.136 38.572 38.487 -0.084 0.000 1.117 4521 N HN 0.214 nan 8.380 nan 0.000 0.541 4522 Q N -0.265 119.448 119.800 -0.145 0.000 2.291 4522 Q HA -0.032 4.307 4.340 -0.001 0.000 0.206 4522 Q C 0.966 176.888 176.000 -0.130 0.000 0.976 4522 Q CA 1.321 57.049 55.803 -0.125 0.000 0.875 4522 Q CB -0.371 28.331 28.738 -0.059 0.000 0.927 4522 Q HN 0.635 nan 8.270 nan 0.000 0.450 4523 K N 0.549 120.879 120.400 -0.116 0.000 2.418 4523 K HA -0.006 4.313 4.320 -0.001 0.000 0.195 4523 K C -0.104 176.438 176.600 -0.097 0.000 1.035 4523 K CA -0.020 56.226 56.287 -0.069 0.000 1.003 4523 K CB 0.277 32.766 32.500 -0.019 0.000 0.793 4523 K HN 0.201 nan 8.250 nan 0.000 0.494 4524 E N 0.221 120.249 120.200 -0.287 0.000 2.297 4524 E HA -0.161 4.188 4.350 -0.001 0.000 0.228 4524 E C 0.042 176.689 176.600 0.078 0.000 1.213 4524 E CA 0.123 56.250 56.400 -0.456 0.000 0.712 4524 E CB -1.724 27.807 29.700 -0.281 0.000 1.202 4524 E HN 0.504 nan 8.360 nan 0.000 0.376 4525 G N 0.668 109.540 108.800 0.120 0.000 2.483 4525 G HA2 0.406 4.365 3.960 -0.001 0.000 0.248 4525 G HA3 0.406 4.365 3.960 -0.001 0.000 0.248 4525 G C -0.277 174.917 174.900 0.491 0.000 1.248 4525 G CA 0.076 45.331 45.100 0.258 0.000 0.838 4525 G HN 0.330 nan 8.290 nan 0.000 0.566 4526 Y N -0.385 120.058 120.300 0.239 0.000 2.655 4526 Y HA 0.715 5.264 4.550 -0.002 0.000 0.336 4526 Y C -1.519 174.383 175.900 0.003 0.000 1.154 4526 Y CA -1.826 56.413 58.100 0.232 0.000 1.055 4526 Y CB 1.628 40.203 38.460 0.191 0.000 1.295 4526 Y HN 0.549 nan 8.280 nan 0.000 0.465 4527 L N 2.450 123.512 121.223 -0.268 0.000 2.296 4527 L HA 0.474 4.813 4.340 -0.001 0.000 0.286 4527 L C -0.890 175.792 176.870 -0.313 0.000 1.023 4527 L CA -0.530 53.933 54.840 -0.627 0.000 0.812 4527 L CB 1.788 42.939 42.059 -1.514 0.000 1.223 4527 L HN 0.763 nan 8.230 nan 0.000 0.421 4528 Q N 5.942 125.569 119.800 -0.288 0.000 2.349 4528 Q HA 0.456 4.795 4.340 -0.001 0.000 0.254 4528 Q C -0.981 174.955 176.000 -0.107 0.000 0.980 4528 Q CA -0.052 55.698 55.803 -0.089 0.000 0.924 4528 Q CB 1.434 30.117 28.738 -0.091 0.000 1.209 4528 Q HN 0.577 nan 8.270 nan 0.000 0.445 4529 I N 2.134 122.670 120.570 -0.058 0.000 2.336 4529 I HA 0.652 4.821 4.170 -0.001 0.000 0.292 4529 I C 0.596 176.579 176.117 -0.224 0.000 0.991 4529 I CA -0.277 60.969 61.300 -0.090 0.000 1.227 4529 I CB 1.427 39.437 38.000 0.017 0.000 1.366 4529 I HN 0.750 nan 8.210 nan 0.000 0.466 4530 G N 3.251 111.925 108.800 -0.210 0.000 2.364 4530 G HA2 0.394 4.353 3.960 -0.001 0.000 0.286 4530 G HA3 0.394 4.353 3.960 -0.001 0.000 0.286 4530 G C 0.301 175.107 174.900 -0.156 0.000 1.241 4530 G CA 0.092 45.041 45.100 -0.251 0.000 0.887 4530 G HN 0.535 nan 8.290 nan 0.000 0.484 4531 A N -0.512 122.296 122.820 -0.021 0.000 1.917 4531 A HA 0.050 4.369 4.320 -0.001 0.000 0.219 4531 A C 0.974 178.544 177.584 -0.024 0.000 1.182 4531 A CA 1.627 53.670 52.037 0.009 0.000 0.633 4531 A CB -0.467 18.593 19.000 0.101 0.000 0.819 4531 A HN 0.461 nan 8.150 nan 0.000 0.448 4532 N N 0.487 119.173 118.700 -0.022 0.000 2.476 4532 N HA 0.315 5.054 4.740 -0.001 0.000 0.257 4532 N C -1.389 174.101 175.510 -0.035 0.000 0.970 4532 N CA 0.078 53.116 53.050 -0.021 0.000 0.938 4532 N CB 1.403 39.884 38.487 -0.011 0.000 1.144 4532 N HN 0.083 nan 8.380 nan 0.000 0.500 4533 T N 3.303 117.841 114.554 -0.028 0.000 2.758 4533 T HA 0.398 4.747 4.350 -0.001 0.000 0.285 4533 T C -0.046 174.642 174.700 -0.019 0.000 0.981 4533 T CA -0.629 61.453 62.100 -0.030 0.000 0.965 4533 T CB 0.982 69.855 68.868 0.008 0.000 0.927 4533 T HN 0.439 nan 8.240 nan 0.000 0.448 4534 Q N 1.687 121.450 119.800 -0.063 0.000 2.575 4534 Q HA 0.665 5.005 4.340 -0.001 0.000 0.290 4534 Q C -1.475 174.440 176.000 -0.140 0.000 0.963 4534 Q CA -1.142 54.627 55.803 -0.057 0.000 0.783 4534 Q CB 1.392 30.111 28.738 -0.031 0.000 1.467 4534 Q HN 0.589 nan 8.270 nan 0.000 0.402 4535 A N 0.572 123.330 122.820 -0.104 0.000 2.386 4535 A HA 0.804 5.123 4.320 -0.001 0.000 0.248 4535 A C -0.253 177.195 177.584 -0.226 0.000 1.082 4535 A CA 0.551 52.487 52.037 -0.167 0.000 0.789 4535 A CB 0.190 19.184 19.000 -0.010 0.000 1.025 4535 A HN 1.185 nan 8.150 nan 0.000 0.490 4536 A N 0.915 123.486 122.820 -0.415 0.000 2.533 4536 A HA 0.766 5.085 4.320 -0.001 0.000 0.293 4536 A C -0.884 176.566 177.584 -0.223 0.000 1.228 4536 A CA -0.622 51.193 52.037 -0.371 0.000 0.689 4536 A CB 1.047 19.713 19.000 -0.556 0.000 1.303 4536 A HN 0.845 nan 8.150 nan 0.000 0.444 4537 Q N -0.148 119.712 119.800 0.100 0.000 2.421 4537 Q HA 0.575 4.914 4.340 -0.001 0.000 0.280 4537 Q C -1.405 174.831 176.000 0.393 0.000 1.085 4537 Q CA -1.002 54.973 55.803 0.286 0.000 0.807 4537 Q CB 2.131 30.952 28.738 0.138 0.000 1.405 4537 Q HN 0.642 nan 8.270 nan 0.000 0.419 4538 K N 0.789 121.377 120.400 0.314 0.000 3.162 4538 K HA -0.198 4.121 4.320 -0.001 0.000 0.268 4538 K C -0.599 176.067 176.600 0.111 0.000 1.062 4538 K CA -0.036 56.364 56.287 0.190 0.000 0.769 4538 K CB -1.382 31.195 32.500 0.128 0.000 1.274 4538 K HN 0.488 nan 8.250 nan 0.000 0.478 4539 L N 1.781 122.956 121.223 -0.081 0.000 2.601 4539 L HA -0.049 4.290 4.340 -0.001 0.000 0.277 4539 L C 0.650 177.442 176.870 -0.131 0.000 1.219 4539 L CA 0.930 55.515 54.840 -0.425 0.000 0.915 4539 L CB 0.231 41.726 42.059 -0.939 0.000 1.160 4539 L HN 0.298 nan 8.230 nan 0.000 0.494 4540 K N 2.788 123.149 120.400 -0.066 0.000 3.020 4540 K HA -0.303 4.016 4.320 -0.001 0.000 0.266 4540 K C 0.938 177.581 176.600 0.071 0.000 1.067 4540 K CA 1.199 57.502 56.287 0.027 0.000 0.780 4540 K CB -1.525 30.994 32.500 0.031 0.000 1.220 4540 K HN 0.937 nan 8.250 nan 0.000 0.483 4541 D N 1.172 121.610 120.400 0.065 0.000 2.092 4541 D HA -0.134 4.505 4.640 -0.001 0.000 0.193 4541 D C 1.594 177.945 176.300 0.086 0.000 0.994 4541 D CA 1.831 55.879 54.000 0.080 0.000 0.828 4541 D CB 0.211 41.055 40.800 0.072 0.000 0.963 4541 D HN 0.499 nan 8.370 nan 0.000 0.450 4542 K N -0.166 120.276 120.400 0.070 0.000 2.057 4542 K HA -0.147 4.172 4.320 -0.001 0.000 0.207 4542 K C 2.195 178.858 176.600 0.105 0.000 1.049 4542 K CA 1.289 57.610 56.287 0.057 0.000 0.931 4542 K CB -0.097 32.407 32.500 0.007 0.000 0.714 4542 K HN 0.140 nan 8.250 nan 0.000 0.440 4543 E N 0.716 121.007 120.200 0.151 0.000 2.072 4543 E HA -0.126 4.223 4.350 -0.001 0.000 0.191 4543 E C 2.042 178.891 176.600 0.415 0.000 0.985 4543 E CA 0.839 57.427 56.400 0.314 0.000 0.801 4543 E CB -0.269 29.655 29.700 0.373 0.000 0.750 4543 E HN -0.009 nan 8.360 nan 0.000 0.452 4544 V N 1.010 121.090 119.914 0.276 0.000 2.343 4544 V HA -0.286 3.833 4.120 -0.001 0.000 0.247 4544 V C 2.191 178.408 176.094 0.205 0.000 1.051 4544 V CA 1.848 64.296 62.300 0.247 0.000 1.036 4544 V CB -0.842 31.075 31.823 0.156 0.000 0.654 4544 V HN 0.360 nan 8.190 nan 0.000 0.451 4545 A N -0.368 122.543 122.820 0.151 0.000 1.877 4545 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 4545 A C 2.114 179.733 177.584 0.059 0.000 1.186 4545 A CA 2.005 54.099 52.037 0.094 0.000 0.620 4545 A CB -0.734 18.311 19.000 0.074 0.000 0.822 4545 A HN 0.521 nan 8.150 nan 0.000 0.443 4546 F N -0.692 119.215 119.950 -0.071 0.000 2.069 4546 F HA -0.210 4.316 4.527 -0.002 0.000 0.298 4546 F C 1.998 177.617 175.800 -0.302 0.000 1.113 4546 F CA 1.885 59.742 58.000 -0.238 0.000 1.214 4546 F CB -0.598 38.162 39.000 -0.400 0.000 0.978 4546 F HN 0.392 nan 8.300 nan 0.000 0.474 4547 W N 0.400 121.597 121.300 -0.171 0.000 2.381 4547 W HA -0.124 4.535 4.660 -0.001 0.000 0.301 4547 W C 2.636 178.989 176.519 -0.277 0.000 1.205 4547 W CA 1.689 58.810 57.345 -0.373 0.000 1.285 4547 W CB -1.110 28.330 29.460 -0.034 0.000 1.133 4547 W HN -0.144 nan 8.180 nan 0.000 0.521 4548 T N 0.652 115.295 114.554 0.148 0.000 2.684 4548 T HA -0.225 4.124 4.350 -0.001 0.000 0.267 4548 T C 1.465 176.179 174.700 0.023 0.000 1.036 4548 T CA 1.733 63.917 62.100 0.141 0.000 1.148 4548 T CB -0.502 68.434 68.868 0.113 0.000 0.863 4548 T HN 0.105 nan 8.240 nan 0.000 0.436 4549 N N 1.089 119.728 118.700 -0.101 0.000 2.188 4549 N HA 0.001 4.740 4.740 -0.001 0.000 0.184 4549 N C 1.772 177.148 175.510 -0.223 0.000 1.018 4549 N CA 0.562 53.528 53.050 -0.140 0.000 0.858 4549 N CB -0.606 37.787 38.487 -0.157 0.000 0.989 4549 N HN 0.207 nan 8.380 nan 0.000 0.426 4550 L N 0.420 121.362 121.223 -0.469 0.000 2.017 4550 L HA -0.002 4.338 4.340 -0.001 0.000 0.208 4550 L C 1.799 178.530 176.870 -0.232 0.000 1.073 4550 L CA 1.505 56.028 54.840 -0.528 0.000 0.745 4550 L CB -0.774 40.684 42.059 -1.001 0.000 0.894 4550 L HN 0.056 nan 8.230 nan 0.000 0.432 4551 F N -0.958 118.971 119.950 -0.035 0.000 2.502 4551 F HA -0.056 4.470 4.527 -0.001 0.000 0.298 4551 F C 2.274 178.073 175.800 -0.001 0.000 1.111 4551 F CA 0.328 58.338 58.000 0.018 0.000 1.445 4551 F CB -0.361 38.668 39.000 0.048 0.000 1.081 4551 F HN 0.208 nan 8.300 nan 0.000 0.558 4552 A N -0.065 122.838 122.820 0.138 0.000 2.167 4552 A HA -0.041 4.279 4.320 -0.001 0.000 0.214 4552 A C 1.373 178.985 177.584 0.047 0.000 1.151 4552 A CA 0.118 52.202 52.037 0.078 0.000 0.735 4552 A CB -0.357 18.668 19.000 0.042 0.000 0.802 4552 A HN 0.233 nan 8.150 nan 0.000 0.467 4553 K N 0.000 120.420 120.400 0.033 0.000 2.780 4553 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 4553 K CA 0.000 56.298 56.287 0.018 0.000 0.838 4553 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 4553 K HN 0.000 nan 8.250 nan 0.000 0.543