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 3g1n_1_B DATA FIRST_RESID 3996 DATA SEQUENCE GRENLYFQGL ERLDEGLRKE DMAVHVRRDH VFEDSYRELH RKSPEEMKNR DATA SEQUENCE LYIVFEGEEG QDAGGLLREW YMIISREMFN PMYALFRTSP GDRVTYTINP DATA SEQUENCE SSHCNPNHLS YFKFVGRIVA KAVYDNRLLE CYFTRSFYKH ILGKSVRYTD DATA SEQUENCE MESEDYHFYQ GLVYLLENDV STLGYDLTFS TEVQEFGVCE VRDLKPNGAN DATA SEQUENCE ILVTEENKKE YVHLVCQMRM TGAIRKQLAA FLEGFYEIIP KRLISIFTEQ DATA SEQUENCE ELELLISGLP TIDIDDLKSN TEYHKYQSNS IQIQWFWRAL RSFDQADRAK DATA SEQUENCE FLQFVTGTSK VPLQGFAALE GMNGIQKFQI HRDDRSTDRL PSAHTCFNQL DATA SEQUENCE DLPAYESFEK LRHMLLLAIQ E 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 3996 G HA2 0.000 nan 3.960 nan 0.000 0.244 3996 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 3996 G C 0.000 174.913 174.900 0.021 0.000 0.946 3996 G CA 0.000 45.119 45.100 0.031 0.000 0.502 3997 R N -0.458 120.045 120.500 0.004 0.000 2.073 3997 R HA 0.096 4.436 4.340 -0.001 0.000 0.229 3997 R C 1.851 178.119 176.300 -0.054 0.000 1.120 3997 R CA 1.550 57.611 56.100 -0.065 0.000 0.967 3997 R CB -0.823 29.409 30.300 -0.112 0.000 0.862 3997 R HN 0.421 nan 8.270 nan 0.000 0.436 3998 E N 3.658 123.906 120.200 0.081 0.000 2.049 3998 E HA -0.231 4.118 4.350 -0.001 0.000 0.198 3998 E C 1.771 178.447 176.600 0.127 0.000 1.007 3998 E CA 1.771 58.253 56.400 0.136 0.000 0.809 3998 E CB -1.046 28.799 29.700 0.241 0.000 0.749 3998 E HN 0.769 nan 8.360 nan 0.000 0.450 3999 N N 0.839 119.675 118.700 0.226 0.000 2.188 3999 N HA -0.083 4.657 4.740 -0.001 0.000 0.184 3999 N C 1.964 177.571 175.510 0.162 0.000 1.018 3999 N CA 1.447 54.664 53.050 0.278 0.000 0.858 3999 N CB -0.425 38.179 38.487 0.195 0.000 0.989 3999 N HN 0.391 nan 8.380 nan 0.000 0.426 4000 L N 0.561 121.829 121.223 0.075 0.000 2.131 4000 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 4000 L C 2.182 179.063 176.870 0.018 0.000 1.092 4000 L CA 1.578 56.433 54.840 0.026 0.000 0.759 4000 L CB -0.698 41.351 42.059 -0.016 0.000 0.903 4000 L HN 0.169 nan 8.230 nan 0.000 0.435 4001 Y N -0.805 119.402 120.300 -0.155 0.000 2.286 4001 Y HA -0.180 4.370 4.550 -0.001 0.000 0.293 4001 Y C 2.141 177.988 175.900 -0.089 0.000 1.124 4001 Y CA 1.201 59.185 58.100 -0.194 0.000 1.178 4001 Y CB -0.375 37.874 38.460 -0.351 0.000 1.010 4001 Y HN 0.037 nan 8.280 nan 0.000 0.536 4002 F N 1.174 121.105 119.950 -0.032 0.000 2.206 4002 F HA -0.124 4.402 4.527 -0.001 0.000 0.298 4002 F C 2.429 178.136 175.800 -0.154 0.000 1.090 4002 F CA 1.399 59.308 58.000 -0.151 0.000 1.323 4002 F CB -0.941 38.076 39.000 0.028 0.000 1.028 4002 F HN 0.130 nan 8.300 nan 0.000 0.492 4003 Q N -0.261 119.597 119.800 0.096 0.000 2.061 4003 Q HA -0.142 4.198 4.340 -0.001 0.000 0.204 4003 Q C 2.628 178.615 176.000 -0.021 0.000 0.984 4003 Q CA 1.528 57.350 55.803 0.032 0.000 0.846 4003 Q CB -0.870 27.889 28.738 0.034 0.000 0.902 4003 Q HN 0.485 nan 8.270 nan 0.000 0.421 4004 G N 0.356 109.123 108.800 -0.057 0.000 2.432 4004 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.219 4004 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.219 4004 G C 1.309 176.160 174.900 -0.081 0.000 1.135 4004 G CA 0.496 45.557 45.100 -0.065 0.000 0.767 4004 G HN 0.128 nan 8.290 nan 0.000 0.550 4005 L N 0.090 121.219 121.223 -0.157 0.000 2.027 4005 L HA 0.070 4.410 4.340 -0.001 0.000 0.206 4005 L C 2.712 179.546 176.870 -0.059 0.000 1.074 4005 L CA 1.681 56.444 54.840 -0.129 0.000 0.745 4005 L CB -0.400 41.505 42.059 -0.256 0.000 0.898 4005 L HN 0.185 nan 8.230 nan 0.000 0.433 4006 E N -0.247 119.919 120.200 -0.056 0.000 2.085 4006 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 4006 E C 2.369 178.964 176.600 -0.010 0.000 0.994 4006 E CA 1.420 57.800 56.400 -0.035 0.000 0.801 4006 E CB -0.037 29.648 29.700 -0.024 0.000 0.743 4006 E HN 0.194 nan 8.360 nan 0.000 0.453 4007 R N -0.585 119.911 120.500 -0.007 0.000 2.148 4007 R HA 0.034 4.374 4.340 -0.001 0.000 0.227 4007 R C 2.384 178.693 176.300 0.015 0.000 1.103 4007 R CA 0.755 56.857 56.100 0.003 0.000 0.983 4007 R CB -0.205 30.095 30.300 -0.001 0.000 0.874 4007 R HN 0.252 nan 8.270 nan 0.000 0.451 4008 L N -0.160 121.078 121.223 0.025 0.000 2.093 4008 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 4008 L C 1.768 178.676 176.870 0.065 0.000 1.085 4008 L CA 2.011 56.879 54.840 0.047 0.000 0.755 4008 L CB -0.293 41.808 42.059 0.070 0.000 0.904 4008 L HN 0.423 nan 8.230 nan 0.000 0.435 4009 D N -1.758 118.691 120.400 0.082 0.000 2.369 4009 D HA -0.036 4.604 4.640 -0.001 0.000 0.211 4009 D C 1.678 178.008 176.300 0.050 0.000 1.077 4009 D CA 0.333 54.389 54.000 0.093 0.000 0.842 4009 D CB -0.078 40.827 40.800 0.176 0.000 0.947 4009 D HN 0.429 nan 8.370 nan 0.000 0.509 4010 E N 0.056 120.274 120.200 0.030 0.000 2.108 4010 E HA -0.108 4.242 4.350 -0.001 0.000 0.203 4010 E C 1.657 178.265 176.600 0.014 0.000 1.022 4010 E CA 1.319 57.728 56.400 0.016 0.000 0.823 4010 E CB -0.143 29.563 29.700 0.010 0.000 0.744 4010 E HN 0.440 nan 8.360 nan 0.000 0.456 4011 G N 0.881 109.690 108.800 0.015 0.000 3.964 4011 G HA2 0.412 4.372 3.960 -0.001 0.000 0.289 4011 G HA3 0.412 4.372 3.960 -0.001 0.000 0.289 4011 G C -0.874 174.034 174.900 0.013 0.000 1.176 4011 G CA -0.362 44.745 45.100 0.011 0.000 1.553 4011 G HN 0.121 nan 8.290 nan 0.000 0.588 4012 L N 1.191 122.425 121.223 0.017 0.000 2.528 4012 L HA 0.510 4.849 4.340 -0.001 0.000 0.267 4012 L C -0.770 176.110 176.870 0.017 0.000 0.961 4012 L CA -0.830 54.021 54.840 0.019 0.000 0.866 4012 L CB 1.995 44.074 42.059 0.034 0.000 1.248 4012 L HN 0.262 nan 8.230 nan 0.000 0.404 4013 R N 4.173 124.677 120.500 0.008 0.000 2.221 4013 R HA 0.398 4.738 4.340 -0.001 0.000 0.327 4013 R C -0.698 175.603 176.300 0.003 0.000 1.033 4013 R CA -0.472 55.630 56.100 0.004 0.000 0.887 4013 R CB 1.408 31.706 30.300 -0.003 0.000 1.057 4013 R HN 0.441 nan 8.270 nan 0.000 0.455 4014 K N 2.284 122.688 120.400 0.007 0.000 2.098 4014 K HA 0.209 4.528 4.320 -0.001 0.000 0.261 4014 K C -0.109 176.486 176.600 -0.008 0.000 0.987 4014 K CA -0.476 55.815 56.287 0.006 0.000 0.916 4014 K CB 1.428 33.943 32.500 0.025 0.000 1.039 4014 K HN 0.486 nan 8.250 nan 0.000 0.455 4015 E N 0.528 120.717 120.200 -0.017 0.000 2.390 4015 E HA 0.237 4.586 4.350 -0.001 0.000 0.249 4015 E C -0.980 175.598 176.600 -0.037 0.000 0.981 4015 E CA -0.881 55.500 56.400 -0.032 0.000 0.860 4015 E CB 1.149 30.825 29.700 -0.039 0.000 1.278 4015 E HN 0.408 nan 8.360 nan 0.000 0.416 4016 D N 0.973 121.337 120.400 -0.060 0.000 2.163 4016 D HA 0.311 4.951 4.640 -0.001 0.000 0.248 4016 D C -0.902 175.356 176.300 -0.070 0.000 1.035 4016 D CA -0.178 53.779 54.000 -0.072 0.000 0.872 4016 D CB 1.599 42.314 40.800 -0.141 0.000 1.183 4016 D HN 0.183 nan 8.370 nan 0.000 0.445 4017 M N 1.845 121.418 119.600 -0.045 0.000 2.151 4017 M HA 0.448 4.928 4.480 -0.001 0.000 0.290 4017 M C -1.201 175.079 176.300 -0.032 0.000 0.965 4017 M CA -0.525 54.746 55.300 -0.049 0.000 0.930 4017 M CB 1.659 34.222 32.600 -0.063 0.000 1.560 4017 M HN 0.387 nan 8.290 nan 0.000 0.438 4018 A N 4.214 127.025 122.820 -0.015 0.000 2.440 4018 A HA 0.579 4.899 4.320 -0.001 0.000 0.251 4018 A C -0.779 176.712 177.584 -0.156 0.000 1.089 4018 A CA -0.365 51.655 52.037 -0.027 0.000 0.779 4018 A CB 0.292 19.297 19.000 0.007 0.000 1.022 4018 A HN 0.655 nan 8.150 nan 0.000 0.492 4019 V N 4.337 124.058 119.914 -0.321 0.000 2.409 4019 V HA 0.231 4.351 4.120 -0.001 0.000 0.290 4019 V C -0.789 175.059 176.094 -0.411 0.000 1.017 4019 V CA -0.399 61.702 62.300 -0.332 0.000 0.841 4019 V CB 0.951 32.489 31.823 -0.476 0.000 1.003 4019 V HN 0.954 nan 8.190 nan 0.000 0.426 4020 H N 3.094 122.066 119.070 -0.164 0.000 2.594 4020 H HA 0.673 5.229 4.556 -0.001 0.000 0.304 4020 H C -0.098 175.164 175.328 -0.110 0.000 1.068 4020 H CA -0.251 55.717 56.048 -0.135 0.000 1.308 4020 H CB 1.582 31.301 29.762 -0.071 0.000 1.409 4020 H HN 0.631 nan 8.280 nan 0.000 0.460 4021 V N 1.119 121.006 119.914 -0.045 0.000 3.007 4021 V HA 0.603 4.723 4.120 -0.001 0.000 0.311 4021 V C -0.219 175.923 176.094 0.080 0.000 1.120 4021 V CA -1.446 60.857 62.300 0.004 0.000 0.980 4021 V CB 2.220 34.028 31.823 -0.024 0.000 1.033 4021 V HN 0.566 nan 8.190 nan 0.000 0.429 4022 R N 1.367 121.975 120.500 0.180 0.000 2.390 4022 R HA 0.460 4.800 4.340 -0.001 0.000 0.291 4022 R C 1.457 177.970 176.300 0.355 0.000 1.070 4022 R CA -0.008 56.255 56.100 0.271 0.000 1.014 4022 R CB 0.708 31.200 30.300 0.319 0.000 1.007 4022 R HN 0.873 nan 8.270 nan 0.000 0.466 4023 R N 1.730 122.512 120.500 0.470 0.000 2.113 4023 R HA -0.230 4.110 4.340 -0.001 0.000 0.244 4023 R C 0.400 176.849 176.300 0.250 0.000 1.142 4023 R CA 2.198 58.577 56.100 0.466 0.000 0.953 4023 R CB 0.014 30.435 30.300 0.201 0.000 0.860 4023 R HN 0.642 nan 8.270 nan 0.000 0.438 4024 D N -0.992 119.495 120.400 0.144 0.000 2.347 4024 D HA -0.059 4.580 4.640 -0.001 0.000 0.215 4024 D C 0.313 176.455 176.300 -0.263 0.000 0.976 4024 D CA 0.963 54.923 54.000 -0.066 0.000 0.884 4024 D CB 0.142 40.861 40.800 -0.135 0.000 0.915 4024 D HN 0.466 nan 8.370 nan 0.000 0.526 4025 H N -0.201 118.972 119.070 0.171 0.000 2.562 4025 H HA 0.198 4.754 4.556 -0.000 0.000 0.249 4025 H C 1.455 176.895 175.328 0.186 0.000 1.195 4025 H CA -0.124 56.029 56.048 0.175 0.000 0.938 4025 H CB 0.699 30.545 29.762 0.140 0.000 1.891 4025 H HN -0.099 nan 8.280 nan 0.000 0.595 4026 V N 0.245 120.314 119.914 0.258 0.000 2.287 4026 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 4026 V C 2.216 178.452 176.094 0.236 0.000 1.053 4026 V CA 1.923 64.365 62.300 0.236 0.000 1.027 4026 V CB -0.639 31.298 31.823 0.190 0.000 0.646 4026 V HN 0.335 nan 8.190 nan 0.000 0.447 4027 F N 1.020 121.018 119.950 0.081 0.000 2.075 4027 F HA -0.168 4.359 4.527 -0.000 0.000 0.297 4027 F C 2.575 178.416 175.800 0.069 0.000 1.113 4027 F CA 2.324 60.349 58.000 0.042 0.000 1.218 4027 F CB -0.339 38.601 39.000 -0.099 0.000 0.984 4027 F HN 0.206 nan 8.300 nan 0.000 0.472 4028 E N -0.265 119.979 120.200 0.073 0.000 2.152 4028 E HA -0.197 4.153 4.350 -0.001 0.000 0.192 4028 E C 1.571 178.177 176.600 0.010 0.000 0.983 4028 E CA 1.468 57.871 56.400 0.005 0.000 0.818 4028 E CB -0.193 29.601 29.700 0.157 0.000 0.758 4028 E HN 0.403 nan 8.360 nan 0.000 0.467 4029 D N 0.165 120.611 120.400 0.077 0.000 2.123 4029 D HA -0.066 4.573 4.640 -0.001 0.000 0.200 4029 D C 2.071 178.379 176.300 0.012 0.000 0.976 4029 D CA 1.044 55.078 54.000 0.057 0.000 0.831 4029 D CB -0.299 40.566 40.800 0.107 0.000 0.974 4029 D HN 0.048 nan 8.370 nan 0.000 0.469 4030 S N -0.027 115.716 115.700 0.072 0.000 2.399 4030 S HA -0.171 4.298 4.470 -0.001 0.000 0.231 4030 S C 1.760 176.259 174.600 -0.169 0.000 1.022 4030 S CA 0.539 58.831 58.200 0.154 0.000 0.983 4030 S CB -0.343 63.147 63.200 0.483 0.000 0.803 4030 S HN 0.368 nan 8.310 nan 0.000 0.480 4031 Y N 2.550 122.376 120.300 -0.791 0.000 2.089 4031 Y HA -0.132 4.417 4.550 -0.001 0.000 0.282 4031 Y C 2.527 178.014 175.900 -0.688 0.000 1.139 4031 Y CA 1.811 58.967 58.100 -1.573 0.000 1.123 4031 Y CB -0.469 37.020 38.460 -1.618 0.000 0.980 4031 Y HN 0.006 nan 8.280 nan 0.000 0.493 4032 R N 0.081 120.370 120.500 -0.352 0.000 2.113 4032 R HA -0.281 4.059 4.340 -0.001 0.000 0.244 4032 R C 2.252 178.457 176.300 -0.159 0.000 1.142 4032 R CA 2.248 58.243 56.100 -0.176 0.000 0.953 4032 R CB -0.356 29.917 30.300 -0.046 0.000 0.860 4032 R HN 0.475 nan 8.270 nan 0.000 0.438 4033 E N -0.288 119.819 120.200 -0.154 0.000 2.107 4033 E HA -0.074 4.275 4.350 -0.001 0.000 0.191 4033 E C 1.543 178.057 176.600 -0.142 0.000 0.982 4033 E CA 1.052 57.384 56.400 -0.113 0.000 0.809 4033 E CB 0.199 29.863 29.700 -0.059 0.000 0.756 4033 E HN 0.384 nan 8.360 nan 0.000 0.459 4034 L N -0.201 120.929 121.223 -0.154 0.000 2.672 4034 L HA 0.103 4.443 4.340 -0.001 0.000 0.236 4034 L C 2.038 178.846 176.870 -0.104 0.000 1.092 4034 L CA 0.214 55.024 54.840 -0.050 0.000 0.887 4034 L CB -0.185 42.004 42.059 0.216 0.000 1.168 4034 L HN 0.298 nan 8.230 nan 0.000 0.502 4035 H N 0.634 119.430 119.070 -0.457 0.000 2.491 4035 H HA -0.031 4.525 4.556 -0.001 0.000 0.290 4035 H C 1.316 176.480 175.328 -0.274 0.000 1.050 4035 H CA 0.845 56.619 56.048 -0.456 0.000 1.309 4035 H CB 0.055 29.144 29.762 -1.122 0.000 1.392 4035 H HN 0.278 nan 8.280 nan 0.000 0.554 4036 R N 0.843 120.899 120.500 -0.738 0.000 2.427 4036 R HA 0.126 4.465 4.340 -0.001 0.000 0.262 4036 R C 0.043 176.187 176.300 -0.260 0.000 0.943 4036 R CA -0.361 55.435 56.100 -0.506 0.000 1.081 4036 R CB 0.579 30.537 30.300 -0.569 0.000 1.166 4036 R HN 0.064 nan 8.270 nan 0.000 0.534 4037 K N 1.530 121.812 120.400 -0.196 0.000 2.202 4037 K HA 0.077 4.397 4.320 -0.001 0.000 0.264 4037 K C 0.552 177.096 176.600 -0.093 0.000 1.010 4037 K CA 0.012 56.225 56.287 -0.123 0.000 0.940 4037 K CB 1.164 33.609 32.500 -0.092 0.000 0.983 4037 K HN 0.035 nan 8.250 nan 0.000 0.475 4038 S N 1.311 116.963 115.700 -0.079 0.000 2.603 4038 S HA 0.173 4.643 4.470 -0.001 0.000 0.268 4038 S C -1.746 172.813 174.600 -0.067 0.000 1.317 4038 S CA -1.016 57.145 58.200 -0.065 0.000 1.012 4038 S CB 1.017 64.183 63.200 -0.057 0.000 0.926 4038 S HN 0.219 nan 8.310 nan 0.000 0.539 4039 P HA -0.182 nan 4.420 nan 0.000 0.215 4039 P C 1.531 178.763 177.300 -0.113 0.000 1.163 4039 P CA 1.725 64.773 63.100 -0.086 0.000 0.894 4039 P CB -0.013 31.646 31.700 -0.067 0.000 0.791 4040 E N 0.083 120.230 120.200 -0.088 0.000 2.038 4040 E HA -0.259 4.091 4.350 -0.001 0.000 0.195 4040 E C 1.947 178.494 176.600 -0.088 0.000 1.000 4040 E CA 1.352 57.700 56.400 -0.087 0.000 0.803 4040 E CB -0.452 29.215 29.700 -0.055 0.000 0.750 4040 E HN 0.205 nan 8.360 nan 0.000 0.448 4041 E N -0.197 119.960 120.200 -0.072 0.000 2.108 4041 E HA -0.267 4.083 4.350 -0.001 0.000 0.203 4041 E C 1.985 178.540 176.600 -0.074 0.000 1.022 4041 E CA 1.712 58.072 56.400 -0.066 0.000 0.823 4041 E CB -0.193 29.467 29.700 -0.066 0.000 0.744 4041 E HN 0.271 nan 8.360 nan 0.000 0.456 4042 M N 0.757 120.304 119.600 -0.089 0.000 2.530 4042 M HA -0.128 4.352 4.480 -0.001 0.000 0.261 4042 M C 1.167 177.396 176.300 -0.118 0.000 1.067 4042 M CA 1.375 56.621 55.300 -0.091 0.000 1.071 4042 M CB 0.139 32.681 32.600 -0.096 0.000 1.405 4042 M HN -0.130 nan 8.290 nan 0.000 0.478 4043 K N -0.294 120.014 120.400 -0.154 0.000 2.444 4043 K HA 0.066 4.386 4.320 -0.001 0.000 0.193 4043 K C 0.029 176.622 176.600 -0.013 0.000 1.024 4043 K CA -0.169 56.017 56.287 -0.169 0.000 1.077 4043 K CB -0.146 32.208 32.500 -0.243 0.000 0.833 4043 K HN 0.337 nan 8.250 nan 0.000 0.517 4044 N N 1.858 120.545 118.700 -0.021 0.000 2.444 4044 N HA 0.042 4.782 4.740 -0.001 0.000 0.255 4044 N C -0.108 175.415 175.510 0.021 0.000 1.255 4044 N CA 0.164 53.214 53.050 -0.001 0.000 0.933 4044 N CB 0.566 39.037 38.487 -0.026 0.000 1.143 4044 N HN -0.003 nan 8.380 nan 0.000 0.453 4045 R N 0.974 121.490 120.500 0.026 0.000 2.421 4045 R HA 0.098 4.438 4.340 -0.001 0.000 0.305 4045 R C -0.349 175.956 176.300 0.008 0.000 1.039 4045 R CA -0.481 55.643 56.100 0.039 0.000 1.003 4045 R CB 0.183 30.507 30.300 0.040 0.000 0.959 4045 R HN 0.245 nan 8.270 nan 0.000 0.427 4046 L N 4.420 125.635 121.223 -0.014 0.000 2.319 4046 L HA 0.112 4.451 4.340 -0.001 0.000 0.280 4046 L C -0.502 176.314 176.870 -0.091 0.000 1.099 4046 L CA 0.050 54.811 54.840 -0.133 0.000 0.828 4046 L CB 0.204 42.074 42.059 -0.316 0.000 1.150 4046 L HN 0.450 nan 8.230 nan 0.000 0.442 4047 Y N 5.126 125.269 120.300 -0.261 0.000 2.464 4047 Y HA 0.476 5.026 4.550 -0.001 0.000 0.326 4047 Y C -0.363 175.329 175.900 -0.347 0.000 0.969 4047 Y CA -1.023 56.937 58.100 -0.234 0.000 1.270 4047 Y CB 0.498 38.857 38.460 -0.169 0.000 1.103 4047 Y HN 0.342 nan 8.280 nan 0.000 0.491 4048 I N 7.058 127.209 120.570 -0.699 0.000 2.474 4048 I HA 0.228 4.397 4.170 -0.001 0.000 0.287 4048 I C -0.392 175.285 176.117 -0.733 0.000 1.048 4048 I CA -0.662 60.191 61.300 -0.745 0.000 1.383 4048 I CB 1.039 38.633 38.000 -0.677 0.000 1.412 4048 I HN 0.314 nan 8.210 nan 0.000 0.531 4049 V N 7.297 126.818 119.914 -0.655 0.000 2.357 4049 V HA 0.297 4.416 4.120 -0.001 0.000 0.281 4049 V C -0.318 175.623 176.094 -0.255 0.000 1.015 4049 V CA -0.609 61.430 62.300 -0.435 0.000 0.827 4049 V CB 1.013 32.529 31.823 -0.511 0.000 1.018 4049 V HN 0.357 nan 8.190 nan 0.000 0.432 4050 F N 2.739 122.647 119.950 -0.070 0.000 2.471 4050 F HA 0.220 4.747 4.527 -0.000 0.000 0.365 4050 F C 1.137 176.969 175.800 0.053 0.000 1.095 4050 F CA 0.125 58.136 58.000 0.018 0.000 1.174 4050 F CB 0.550 39.565 39.000 0.025 0.000 1.105 4050 F HN 0.546 nan 8.300 nan 0.000 0.535 4051 E N 2.720 123.058 120.200 0.229 0.000 2.502 4051 E HA 0.133 4.482 4.350 -0.001 0.000 0.261 4051 E C 1.135 177.835 176.600 0.165 0.000 0.974 4051 E CA 0.800 57.308 56.400 0.180 0.000 0.936 4051 E CB 0.335 30.124 29.700 0.148 0.000 0.926 4051 E HN 0.950 nan 8.360 nan 0.000 0.459 4052 G N 3.714 112.587 108.800 0.121 0.000 2.198 4052 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.260 4052 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.260 4052 G C -0.260 174.690 174.900 0.083 0.000 1.025 4052 G CA 0.566 45.721 45.100 0.091 0.000 0.769 4052 G HN 0.586 nan 8.290 nan 0.000 0.507 4053 E N -0.161 120.097 120.200 0.095 0.000 2.224 4053 E HA 0.383 4.732 4.350 -0.001 0.000 0.265 4053 E C -0.003 176.633 176.600 0.059 0.000 0.878 4053 E CA -0.980 55.463 56.400 0.071 0.000 0.759 4053 E CB 1.389 31.138 29.700 0.081 0.000 1.164 4053 E HN 0.309 nan 8.360 nan 0.000 0.414 4054 E N 1.799 122.021 120.200 0.037 0.000 2.966 4054 E HA -0.090 4.259 4.350 -0.001 0.000 0.254 4054 E C -0.028 176.594 176.600 0.037 0.000 0.923 4054 E CA 0.441 56.860 56.400 0.032 0.000 0.960 4054 E CB 0.299 30.010 29.700 0.019 0.000 0.901 4054 E HN 0.615 nan 8.360 nan 0.000 0.525 4055 G N 4.308 113.134 108.800 0.045 0.000 2.305 4055 G HA2 0.115 4.075 3.960 -0.001 0.000 0.243 4055 G HA3 0.115 4.075 3.960 -0.001 0.000 0.243 4055 G C -0.422 174.502 174.900 0.040 0.000 1.288 4055 G CA -0.138 44.992 45.100 0.049 0.000 0.901 4055 G HN 0.595 nan 8.290 nan 0.000 0.516 4056 Q N 0.176 119.999 119.800 0.038 0.000 2.615 4056 Q HA 0.141 4.481 4.340 -0.001 0.000 0.298 4056 Q C -0.897 175.125 176.000 0.036 0.000 1.023 4056 Q CA -0.948 54.873 55.803 0.032 0.000 0.768 4056 Q CB 2.134 30.883 28.738 0.018 0.000 1.500 4056 Q HN 0.651 nan 8.270 nan 0.000 0.441 4057 D N 0.519 120.942 120.400 0.037 0.000 2.570 4057 D HA -0.055 4.585 4.640 -0.001 0.000 0.243 4057 D C 0.503 176.831 176.300 0.045 0.000 1.171 4057 D CA 0.652 54.680 54.000 0.046 0.000 0.879 4057 D CB 1.188 42.014 40.800 0.042 0.000 1.143 4057 D HN 0.693 nan 8.370 nan 0.000 0.511 4058 A N 4.446 127.300 122.820 0.056 0.000 1.892 4058 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 4058 A C 2.093 179.703 177.584 0.044 0.000 1.188 4058 A CA 2.082 54.139 52.037 0.033 0.000 0.631 4058 A CB -0.880 18.215 19.000 0.159 0.000 0.822 4058 A HN 0.692 nan 8.150 nan 0.000 0.447 4059 G N -0.855 107.988 108.800 0.073 0.000 2.433 4059 G HA2 0.030 3.989 3.960 -0.001 0.000 0.216 4059 G HA3 0.030 3.989 3.960 -0.001 0.000 0.216 4059 G C 1.602 176.561 174.900 0.098 0.000 1.186 4059 G CA 1.317 46.468 45.100 0.085 0.000 0.779 4059 G HN 0.778 nan 8.290 nan 0.000 0.543 4060 G N 0.917 109.767 108.800 0.082 0.000 2.476 4060 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 4060 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 4060 G C 1.710 176.685 174.900 0.125 0.000 1.164 4060 G CA 1.082 46.234 45.100 0.087 0.000 0.768 4060 G HN 0.299 nan 8.290 nan 0.000 0.560 4061 L N -0.009 121.289 121.223 0.126 0.000 2.042 4061 L HA -0.022 4.317 4.340 -0.001 0.000 0.210 4061 L C 2.710 179.754 176.870 0.291 0.000 1.076 4061 L CA 1.076 56.050 54.840 0.223 0.000 0.749 4061 L CB -1.153 41.016 42.059 0.182 0.000 0.893 4061 L HN 0.242 nan 8.230 nan 0.000 0.432 4062 L N -0.412 120.927 121.223 0.194 0.000 2.046 4062 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 4062 L C 2.778 179.931 176.870 0.472 0.000 1.077 4062 L CA 1.632 56.630 54.840 0.263 0.000 0.747 4062 L CB -0.648 41.528 42.059 0.195 0.000 0.896 4062 L HN 0.246 nan 8.230 nan 0.000 0.432 4063 R N -0.358 120.350 120.500 0.347 0.000 2.080 4063 R HA -0.207 4.132 4.340 -0.001 0.000 0.236 4063 R C 2.180 178.673 176.300 0.320 0.000 1.137 4063 R CA 2.037 58.327 56.100 0.318 0.000 0.943 4063 R CB -0.320 30.090 30.300 0.183 0.000 0.846 4063 R HN 0.495 nan 8.270 nan 0.000 0.431 4064 E N -0.610 119.756 120.200 0.277 0.000 2.070 4064 E HA -0.274 4.075 4.350 -0.001 0.000 0.197 4064 E C 1.589 178.401 176.600 0.354 0.000 1.004 4064 E CA 1.747 58.299 56.400 0.253 0.000 0.805 4064 E CB -0.351 29.463 29.700 0.189 0.000 0.744 4064 E HN 0.499 nan 8.360 nan 0.000 0.451 4065 W N 0.505 121.968 121.300 0.272 0.000 2.333 4065 W HA -0.274 4.386 4.660 -0.001 0.000 0.316 4065 W C 1.817 178.390 176.519 0.089 0.000 1.215 4065 W CA 1.618 59.067 57.345 0.173 0.000 1.278 4065 W CB -0.605 28.837 29.460 -0.031 0.000 1.154 4065 W HN 0.072 nan 8.180 nan 0.000 0.486 4066 Y N 0.307 120.705 120.300 0.163 0.000 2.114 4066 Y HA -0.338 4.212 4.550 -0.001 0.000 0.282 4066 Y C 2.714 178.540 175.900 -0.122 0.000 1.165 4066 Y CA 2.567 60.613 58.100 -0.090 0.000 1.148 4066 Y CB -1.063 37.477 38.460 0.133 0.000 0.972 4066 Y HN -0.027 nan 8.280 nan 0.000 0.504 4067 M N -0.985 118.704 119.600 0.149 0.000 2.117 4067 M HA -0.238 4.242 4.480 -0.001 0.000 0.262 4067 M C 2.070 178.374 176.300 0.008 0.000 1.065 4067 M CA 1.738 57.082 55.300 0.073 0.000 1.114 4067 M CB -0.511 32.141 32.600 0.087 0.000 1.361 4067 M HN 0.216 nan 8.290 nan 0.000 0.408 4068 I N -0.137 120.429 120.570 -0.006 0.000 2.202 4068 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 4068 I C 2.431 178.488 176.117 -0.100 0.000 1.091 4068 I CA 1.295 62.582 61.300 -0.022 0.000 1.368 4068 I CB -0.354 37.678 38.000 0.053 0.000 1.058 4068 I HN 0.248 nan 8.210 nan 0.000 0.410 4069 I N 0.316 120.725 120.570 -0.267 0.000 2.286 4069 I HA -0.303 3.866 4.170 -0.001 0.000 0.248 4069 I C 2.585 178.592 176.117 -0.184 0.000 1.115 4069 I CA 1.376 62.514 61.300 -0.269 0.000 1.392 4069 I CB 0.029 37.643 38.000 -0.643 0.000 1.065 4069 I HN 0.152 nan 8.210 nan 0.000 0.418 4070 S N 0.561 116.168 115.700 -0.155 0.000 2.365 4070 S HA -0.282 4.188 4.470 -0.001 0.000 0.225 4070 S C 2.056 176.595 174.600 -0.101 0.000 1.039 4070 S CA 1.746 59.880 58.200 -0.111 0.000 1.033 4070 S CB -0.468 62.715 63.200 -0.028 0.000 0.887 4070 S HN 0.482 nan 8.310 nan 0.000 0.447 4071 R N 0.979 121.443 120.500 -0.060 0.000 2.062 4071 R HA -0.041 4.298 4.340 -0.001 0.000 0.229 4071 R C 1.852 178.100 176.300 -0.087 0.000 1.128 4071 R CA 1.184 57.269 56.100 -0.024 0.000 0.960 4071 R CB -0.091 30.202 30.300 -0.012 0.000 0.855 4071 R HN 0.228 nan 8.270 nan 0.000 0.432 4072 E N 0.574 120.693 120.200 -0.135 0.000 2.208 4072 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 4072 E C 1.828 178.126 176.600 -0.503 0.000 0.988 4072 E CA 0.637 56.935 56.400 -0.171 0.000 0.828 4072 E CB -0.192 29.492 29.700 -0.026 0.000 0.763 4072 E HN 0.404 nan 8.360 nan 0.000 0.478 4073 M N -0.206 118.978 119.600 -0.694 0.000 2.151 4073 M HA -0.233 4.247 4.480 -0.001 0.000 0.256 4073 M C 1.037 176.931 176.300 -0.676 0.000 1.072 4073 M CA 1.776 56.529 55.300 -0.911 0.000 1.090 4073 M CB -0.159 31.886 32.600 -0.925 0.000 1.294 4073 M HN 0.013 nan 8.290 nan 0.000 0.415 4074 F N 0.017 119.721 119.950 -0.410 0.000 2.731 4074 F HA 0.138 4.665 4.527 -0.000 0.000 0.304 4074 F C 0.784 176.451 175.800 -0.221 0.000 1.133 4074 F CA -0.327 57.404 58.000 -0.449 0.000 1.380 4074 F CB -1.067 37.300 39.000 -1.056 0.000 1.079 4074 F HN 0.134 nan 8.300 nan 0.000 0.550 4075 N N 2.180 120.851 118.700 -0.047 0.000 2.475 4075 N HA 0.022 4.762 4.740 -0.001 0.000 0.267 4075 N C -1.714 173.738 175.510 -0.097 0.000 1.169 4075 N CA -1.359 51.645 53.050 -0.076 0.000 0.947 4075 N CB 1.382 39.771 38.487 -0.163 0.000 1.061 4075 N HN -0.071 nan 8.380 nan 0.000 0.466 4076 P HA -0.142 nan 4.420 nan 0.000 0.217 4076 P C 1.751 178.943 177.300 -0.181 0.000 1.148 4076 P CA 1.234 64.294 63.100 -0.066 0.000 0.828 4076 P CB 0.191 31.863 31.700 -0.046 0.000 0.783 4077 M N -1.960 117.432 119.600 -0.346 0.000 2.190 4077 M HA -0.269 4.210 4.480 -0.001 0.000 0.252 4077 M C 1.620 177.641 176.300 -0.464 0.000 1.076 4077 M CA 2.190 57.177 55.300 -0.521 0.000 1.079 4077 M CB -1.005 31.006 32.600 -0.981 0.000 1.303 4077 M HN 0.023 nan 8.290 nan 0.000 0.412 4078 Y N -0.778 119.432 120.300 -0.150 0.000 2.490 4078 Y HA 0.392 4.941 4.550 -0.001 0.000 0.281 4078 Y C 1.426 177.206 175.900 -0.200 0.000 1.174 4078 Y CA 0.175 58.149 58.100 -0.211 0.000 1.295 4078 Y CB -0.802 37.500 38.460 -0.263 0.000 1.062 4078 Y HN 0.389 nan 8.280 nan 0.000 0.522 4079 A N 0.188 122.978 122.820 -0.049 0.000 2.744 4079 A HA -0.269 4.051 4.320 -0.001 0.000 0.300 4079 A C 1.106 178.674 177.584 -0.028 0.000 1.512 4079 A CA 1.383 53.396 52.037 -0.040 0.000 0.851 4079 A CB -2.106 16.841 19.000 -0.087 0.000 0.987 4079 A HN 0.608 nan 8.150 nan 0.000 0.507 4080 L N -3.012 118.184 121.223 -0.044 0.000 2.202 4080 L HA 0.283 4.623 4.340 -0.001 0.000 0.205 4080 L C 0.683 177.390 176.870 -0.272 0.000 1.083 4080 L CA 0.745 55.444 54.840 -0.234 0.000 0.790 4080 L CB 0.073 41.880 42.059 -0.419 0.000 0.942 4080 L HN 0.477 nan 8.230 nan 0.000 0.452 4081 F N -0.149 119.918 119.950 0.195 0.000 2.540 4081 F HA 0.469 4.996 4.527 -0.001 0.000 0.317 4081 F C 0.180 176.186 175.800 0.343 0.000 1.104 4081 F CA -0.939 57.254 58.000 0.321 0.000 0.913 4081 F CB 1.430 40.678 39.000 0.413 0.000 1.170 4081 F HN -0.142 nan 8.300 nan 0.000 0.450 4082 R N 0.457 121.237 120.500 0.467 0.000 2.778 4082 R HA 0.689 5.028 4.340 -0.001 0.000 0.277 4082 R C -0.931 175.423 176.300 0.090 0.000 0.977 4082 R CA -0.684 55.568 56.100 0.253 0.000 0.950 4082 R CB 1.654 32.030 30.300 0.127 0.000 1.165 4082 R HN 0.707 nan 8.270 nan 0.000 0.474 4083 T N -0.239 114.202 114.554 -0.188 0.000 2.913 4083 T HA 0.076 4.426 4.350 -0.001 0.000 0.297 4083 T C 0.464 175.015 174.700 -0.247 0.000 1.029 4083 T CA -0.621 61.179 62.100 -0.499 0.000 1.104 4083 T CB 1.238 69.786 68.868 -0.535 0.000 0.964 4083 T HN 0.594 nan 8.240 nan 0.000 0.532 4084 S N 3.404 118.951 115.700 -0.254 0.000 2.515 4084 S HA 0.155 4.625 4.470 -0.001 0.000 0.285 4084 S C -0.974 173.534 174.600 -0.153 0.000 1.265 4084 S CA -1.407 56.701 58.200 -0.153 0.000 1.079 4084 S CB 0.186 63.302 63.200 -0.140 0.000 0.877 4084 S HN 0.655 nan 8.310 nan 0.000 0.493 4085 P HA 0.003 nan 4.420 nan 0.000 0.220 4085 P C 1.454 178.669 177.300 -0.141 0.000 1.148 4085 P CA 1.261 64.297 63.100 -0.106 0.000 0.803 4085 P CB -0.276 31.386 31.700 -0.064 0.000 0.782 4086 G N 0.365 109.074 108.800 -0.151 0.000 2.404 4086 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.213 4086 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.213 4086 G C 1.139 175.911 174.900 -0.214 0.000 1.189 4086 G CA 0.644 45.619 45.100 -0.209 0.000 0.796 4086 G HN 0.171 nan 8.290 nan 0.000 0.532 4087 D N -0.416 119.877 120.400 -0.180 0.000 2.360 4087 D HA 0.134 4.774 4.640 -0.001 0.000 0.210 4087 D C 1.440 177.635 176.300 -0.174 0.000 1.047 4087 D CA -0.098 53.801 54.000 -0.168 0.000 0.854 4087 D CB 0.561 41.275 40.800 -0.144 0.000 0.936 4087 D HN 0.069 nan 8.370 nan 0.000 0.514 4088 R N -0.779 119.604 120.500 -0.195 0.000 3.594 4088 R HA -0.169 4.171 4.340 -0.001 0.000 0.317 4088 R C 1.370 177.505 176.300 -0.275 0.000 0.681 4088 R CA 1.171 57.147 56.100 -0.206 0.000 1.656 4088 R CB -1.860 28.347 30.300 -0.156 0.000 1.720 4088 R HN 0.233 nan 8.270 nan 0.000 0.480 4089 V N 1.613 121.368 119.914 -0.265 0.000 3.621 4089 V HA 0.029 4.148 4.120 -0.001 0.000 0.263 4089 V C 1.113 177.012 176.094 -0.324 0.000 1.272 4089 V CA 1.380 63.519 62.300 -0.269 0.000 1.080 4089 V CB 0.706 32.403 31.823 -0.209 0.000 0.816 4089 V HN 0.555 nan 8.190 nan 0.000 0.451 4090 T N -1.830 112.525 114.554 -0.331 0.000 2.927 4090 T HA 0.615 4.964 4.350 -0.001 0.000 0.281 4090 T C -0.981 173.443 174.700 -0.460 0.000 0.998 4090 T CA -0.343 61.604 62.100 -0.255 0.000 1.019 4090 T CB 1.695 70.502 68.868 -0.101 0.000 1.061 4090 T HN 0.099 nan 8.240 nan 0.000 0.518 4091 Y N -0.846 119.295 120.300 -0.264 0.000 2.512 4091 Y HA 0.684 5.233 4.550 -0.001 0.000 0.348 4091 Y C 0.660 176.601 175.900 0.067 0.000 0.990 4091 Y CA -0.785 57.232 58.100 -0.137 0.000 1.033 4091 Y CB 2.925 41.181 38.460 -0.340 0.000 1.259 4091 Y HN 0.973 nan 8.280 nan 0.000 0.461 4092 T N 1.638 116.430 114.554 0.396 0.000 2.754 4092 T HA 0.540 4.890 4.350 -0.001 0.000 0.296 4092 T C -0.927 174.059 174.700 0.477 0.000 1.205 4092 T CA -0.683 61.651 62.100 0.391 0.000 1.009 4092 T CB 0.815 69.849 68.868 0.276 0.000 1.368 4092 T HN 0.470 nan 8.240 nan 0.000 0.509 4093 I N 3.383 124.135 120.570 0.303 0.000 2.710 4093 I HA 0.130 4.300 4.170 -0.001 0.000 0.286 4093 I C 0.582 176.751 176.117 0.086 0.000 1.181 4093 I CA -0.076 61.252 61.300 0.047 0.000 1.430 4093 I CB 0.346 38.293 38.000 -0.088 0.000 1.367 4093 I HN 0.444 nan 8.210 nan 0.000 0.577 4094 N N 9.405 128.154 118.700 0.081 0.000 2.406 4094 N HA 0.191 4.931 4.740 -0.001 0.000 0.251 4094 N C -1.689 173.884 175.510 0.106 0.000 1.069 4094 N CA -2.333 50.777 53.050 0.101 0.000 0.947 4094 N CB 1.057 39.601 38.487 0.096 0.000 1.111 4094 N HN 0.261 nan 8.380 nan 0.000 0.497 4095 P HA -0.030 nan 4.420 nan 0.000 0.231 4095 P C 0.152 177.551 177.300 0.165 0.000 1.158 4095 P CA 0.769 63.941 63.100 0.120 0.000 0.763 4095 P CB 0.359 32.114 31.700 0.092 0.000 0.805 4096 S N -0.421 115.328 115.700 0.081 0.000 2.556 4096 S HA 0.001 4.471 4.470 -0.001 0.000 0.216 4096 S C 1.879 176.323 174.600 -0.259 0.000 0.970 4096 S CA 0.440 58.608 58.200 -0.053 0.000 0.912 4096 S CB -0.553 62.599 63.200 -0.080 0.000 0.790 4096 S HN 0.321 nan 8.310 nan 0.000 0.504 4097 S N 3.044 118.708 115.700 -0.060 0.000 2.423 4097 S HA -0.303 4.166 4.470 -0.001 0.000 0.238 4097 S C 1.889 176.232 174.600 -0.429 0.000 1.028 4097 S CA 1.644 59.820 58.200 -0.040 0.000 1.000 4097 S CB -1.030 62.414 63.200 0.406 0.000 0.797 4097 S HN 0.869 nan 8.310 nan 0.000 0.487 4098 H N 0.031 118.670 119.070 -0.719 0.000 2.457 4098 H HA -0.011 4.545 4.556 -0.001 0.000 0.297 4098 H C 1.634 176.530 175.328 -0.718 0.000 1.092 4098 H CA 1.285 56.526 56.048 -1.345 0.000 1.309 4098 H CB -1.405 27.513 29.762 -1.407 0.000 1.382 4098 H HN 0.518 nan 8.280 nan 0.000 0.535 4099 C N 1.543 120.244 119.300 -0.998 0.000 2.479 4099 C HA 0.007 4.467 4.460 -0.001 0.000 0.292 4099 C C 1.026 175.815 174.990 -0.334 0.000 1.497 4099 C CA 0.246 58.924 59.018 -0.566 0.000 1.714 4099 C CB -2.333 25.113 27.740 -0.490 0.000 1.610 4099 C HN 0.566 nan 8.230 nan 0.000 0.589 4100 N N 0.145 118.634 118.700 -0.352 0.000 2.617 4100 N HA 0.153 4.892 4.740 -0.001 0.000 0.263 4100 N C -2.253 173.183 175.510 -0.123 0.000 1.074 4100 N CA -1.096 51.835 53.050 -0.198 0.000 0.841 4100 N CB 1.602 39.986 38.487 -0.172 0.000 1.221 4100 N HN -0.078 nan 8.380 nan 0.000 0.529 4101 P HA -0.115 nan 4.420 nan 0.000 0.218 4101 P C 0.173 177.582 177.300 0.181 0.000 1.152 4101 P CA 1.506 64.634 63.100 0.047 0.000 0.857 4101 P CB 0.243 31.969 31.700 0.044 0.000 0.787 4102 N N -2.250 116.546 118.700 0.161 0.000 2.313 4102 N HA -0.009 4.731 4.740 -0.001 0.000 0.207 4102 N C 1.235 176.931 175.510 0.310 0.000 1.141 4102 N CA -0.105 53.077 53.050 0.219 0.000 0.830 4102 N CB -0.794 37.791 38.487 0.162 0.000 1.008 4102 N HN 0.475 nan 8.380 nan 0.000 0.481 4103 H N -1.148 117.989 119.070 0.111 0.000 2.319 4103 H HA -0.119 4.437 4.556 -0.001 0.000 0.297 4103 H C 1.471 177.008 175.328 0.348 0.000 1.097 4103 H CA 0.917 57.042 56.048 0.129 0.000 1.285 4103 H CB -0.176 29.670 29.762 0.140 0.000 1.368 4103 H HN 0.025 nan 8.280 nan 0.000 0.495 4104 L N 0.911 122.107 121.223 -0.045 0.000 2.079 4104 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 4104 L C 2.883 179.897 176.870 0.240 0.000 1.081 4104 L CA 1.789 56.676 54.840 0.080 0.000 0.752 4104 L CB -1.164 40.886 42.059 -0.014 0.000 0.896 4104 L HN 0.461 nan 8.230 nan 0.000 0.433 4105 S N -1.993 113.838 115.700 0.218 0.000 2.368 4105 S HA -0.188 4.281 4.470 -0.001 0.000 0.224 4105 S C 2.087 176.836 174.600 0.248 0.000 1.029 4105 S CA 0.837 59.167 58.200 0.217 0.000 0.988 4105 S CB -0.265 63.044 63.200 0.180 0.000 0.838 4105 S HN 0.438 nan 8.310 nan 0.000 0.462 4106 Y N 0.397 120.738 120.300 0.068 0.000 2.224 4106 Y HA -0.051 4.499 4.550 -0.001 0.000 0.289 4106 Y C 1.935 177.934 175.900 0.165 0.000 1.146 4106 Y CA 1.559 59.669 58.100 0.016 0.000 1.182 4106 Y CB -0.453 37.862 38.460 -0.242 0.000 0.983 4106 Y HN 0.286 nan 8.280 nan 0.000 0.524 4107 F N 0.224 120.393 119.950 0.366 0.000 2.134 4107 F HA -0.224 4.302 4.527 -0.001 0.000 0.299 4107 F C 2.424 178.410 175.800 0.311 0.000 1.097 4107 F CA 1.682 59.896 58.000 0.357 0.000 1.264 4107 F CB -0.572 38.575 39.000 0.244 0.000 1.001 4107 F HN -0.091 nan 8.300 nan 0.000 0.479 4108 K N -0.382 120.263 120.400 0.408 0.000 2.057 4108 K HA -0.230 4.089 4.320 -0.001 0.000 0.207 4108 K C 2.228 178.948 176.600 0.200 0.000 1.049 4108 K CA 1.514 57.945 56.287 0.240 0.000 0.931 4108 K CB -0.474 32.148 32.500 0.203 0.000 0.714 4108 K HN 0.237 nan 8.250 nan 0.000 0.440 4109 F N 1.044 121.076 119.950 0.137 0.000 2.113 4109 F HA -0.184 4.342 4.527 -0.001 0.000 0.297 4109 F C 1.958 177.824 175.800 0.109 0.000 1.103 4109 F CA 1.528 59.582 58.000 0.090 0.000 1.248 4109 F CB -0.648 38.410 39.000 0.097 0.000 0.999 4109 F HN -0.097 nan 8.300 nan 0.000 0.475 4110 V N 0.777 120.709 119.914 0.029 0.000 2.490 4110 V HA -0.073 4.046 4.120 -0.001 0.000 0.250 4110 V C 2.291 178.358 176.094 -0.046 0.000 1.061 4110 V CA 2.261 64.566 62.300 0.009 0.000 1.064 4110 V CB -1.438 30.613 31.823 0.379 0.000 0.670 4110 V HN 0.440 nan 8.190 nan 0.000 0.461 4111 G N 0.087 108.775 108.800 -0.188 0.000 2.446 4111 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.217 4111 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.217 4111 G C 1.671 176.361 174.900 -0.350 0.000 1.168 4111 G CA 1.017 45.685 45.100 -0.721 0.000 0.771 4111 G HN 0.589 nan 8.290 nan 0.000 0.551 4112 R N -0.093 120.259 120.500 -0.246 0.000 2.096 4112 R HA -0.108 4.231 4.340 -0.001 0.000 0.240 4112 R C 2.504 178.675 176.300 -0.214 0.000 1.139 4112 R CA 1.661 57.635 56.100 -0.210 0.000 0.952 4112 R CB -0.303 29.914 30.300 -0.139 0.000 0.854 4112 R HN 0.319 nan 8.270 nan 0.000 0.436 4113 I N 0.335 120.732 120.570 -0.287 0.000 2.142 4113 I HA -0.222 3.948 4.170 -0.001 0.000 0.240 4113 I C 2.434 178.554 176.117 0.006 0.000 1.078 4113 I CA 1.099 62.300 61.300 -0.166 0.000 1.343 4113 I CB -1.044 36.770 38.000 -0.311 0.000 1.046 4113 I HN 0.116 nan 8.210 nan 0.000 0.405 4114 V N 1.614 121.553 119.914 0.040 0.000 2.252 4114 V HA -0.322 3.798 4.120 -0.001 0.000 0.249 4114 V C 2.847 178.995 176.094 0.090 0.000 1.056 4114 V CA 2.193 64.612 62.300 0.198 0.000 1.022 4114 V CB -1.218 30.876 31.823 0.452 0.000 0.641 4114 V HN 0.498 nan 8.190 nan 0.000 0.445 4115 A N -0.969 121.726 122.820 -0.208 0.000 1.972 4115 A HA -0.217 4.103 4.320 -0.001 0.000 0.219 4115 A C 2.357 179.850 177.584 -0.151 0.000 1.169 4115 A CA 1.856 53.558 52.037 -0.558 0.000 0.635 4115 A CB -0.452 17.955 19.000 -0.988 0.000 0.810 4115 A HN 0.413 nan 8.150 nan 0.000 0.446 4116 K N 0.002 120.376 120.400 -0.043 0.000 2.025 4116 K HA -0.074 4.245 4.320 -0.001 0.000 0.207 4116 K C 2.262 178.999 176.600 0.228 0.000 1.049 4116 K CA 1.316 57.658 56.287 0.092 0.000 0.933 4116 K CB -0.509 32.057 32.500 0.110 0.000 0.714 4116 K HN 0.358 nan 8.250 nan 0.000 0.438 4117 A N 1.016 123.977 122.820 0.234 0.000 1.859 4117 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 4117 A C 2.423 180.081 177.584 0.124 0.000 1.198 4117 A CA 2.146 54.275 52.037 0.152 0.000 0.629 4117 A CB -1.030 18.045 19.000 0.125 0.000 0.830 4117 A HN 0.140 nan 8.150 nan 0.000 0.446 4118 V N -1.384 118.623 119.914 0.155 0.000 2.282 4118 V HA -0.336 3.784 4.120 -0.001 0.000 0.249 4118 V C 2.347 178.592 176.094 0.253 0.000 1.057 4118 V CA 2.454 64.874 62.300 0.200 0.000 1.032 4118 V CB -1.011 30.951 31.823 0.231 0.000 0.645 4118 V HN 0.704 nan 8.190 nan 0.000 0.447 4119 Y N 1.362 121.727 120.300 0.108 0.000 2.128 4119 Y HA -0.254 4.296 4.550 -0.001 0.000 0.284 4119 Y C 2.209 178.175 175.900 0.109 0.000 1.154 4119 Y CA 2.222 60.386 58.100 0.107 0.000 1.149 4119 Y CB -0.164 38.321 38.460 0.042 0.000 0.976 4119 Y HN 0.333 nan 8.280 nan 0.000 0.505 4120 D N 0.063 120.581 120.400 0.196 0.000 2.340 4120 D HA -0.035 4.605 4.640 -0.001 0.000 0.220 4120 D C -0.080 176.231 176.300 0.020 0.000 1.039 4120 D CA 0.683 54.736 54.000 0.089 0.000 0.866 4120 D CB -0.277 40.624 40.800 0.168 0.000 0.913 4120 D HN 0.442 nan 8.370 nan 0.000 0.523 4121 N N 0.572 119.300 118.700 0.047 0.000 2.776 4121 N HA -0.221 4.519 4.740 -0.001 0.000 0.250 4121 N C 0.102 175.599 175.510 -0.020 0.000 1.112 4121 N CA 0.401 53.473 53.050 0.036 0.000 0.733 4121 N CB -1.495 36.981 38.487 -0.018 0.000 1.097 4121 N HN 0.259 nan 8.380 nan 0.000 0.558 4122 R N 0.793 121.249 120.500 -0.075 0.000 2.390 4122 R HA 0.484 4.824 4.340 -0.001 0.000 0.291 4122 R C 0.109 176.324 176.300 -0.140 0.000 1.070 4122 R CA -0.169 55.805 56.100 -0.210 0.000 1.014 4122 R CB 0.558 30.514 30.300 -0.572 0.000 1.007 4122 R HN 0.203 nan 8.270 nan 0.000 0.466 4123 L N 5.628 126.781 121.223 -0.116 0.000 2.289 4123 L HA 0.433 4.773 4.340 -0.001 0.000 0.285 4123 L C -0.514 176.315 176.870 -0.070 0.000 1.049 4123 L CA -0.611 54.193 54.840 -0.059 0.000 0.804 4123 L CB 1.033 43.077 42.059 -0.025 0.000 1.195 4123 L HN 0.437 nan 8.230 nan 0.000 0.428 4124 L N 2.806 124.002 121.223 -0.045 0.000 2.346 4124 L HA 0.361 4.700 4.340 -0.001 0.000 0.276 4124 L C 0.184 176.977 176.870 -0.129 0.000 1.006 4124 L CA -0.588 54.227 54.840 -0.042 0.000 0.817 4124 L CB 1.988 44.055 42.059 0.013 0.000 1.272 4124 L HN 0.567 nan 8.230 nan 0.000 0.421 4125 E N 1.771 121.901 120.200 -0.116 0.000 2.467 4125 E HA 0.112 4.461 4.350 -0.001 0.000 0.321 4125 E C -1.018 175.356 176.600 -0.376 0.000 1.388 4125 E CA -0.192 56.076 56.400 -0.221 0.000 1.508 4125 E CB -0.057 29.660 29.700 0.029 0.000 1.250 4125 E HN 0.407 nan 8.360 nan 0.000 0.500 4126 C N 1.264 120.235 119.300 -0.548 0.000 2.322 4126 C HA 0.381 4.841 4.460 -0.001 0.000 0.324 4126 C C -0.444 174.004 174.990 -0.903 0.000 1.284 4126 C CA -0.836 57.876 59.018 -0.510 0.000 1.606 4126 C CB -0.498 27.118 27.740 -0.206 0.000 2.251 4126 C HN 0.484 nan 8.230 nan 0.000 0.502 4127 Y N 2.343 122.287 120.300 -0.593 0.000 2.426 4127 Y HA 0.519 5.069 4.550 -0.000 0.000 0.325 4127 Y C 0.013 175.615 175.900 -0.497 0.000 0.989 4127 Y CA -0.499 57.404 58.100 -0.329 0.000 1.284 4127 Y CB 0.407 38.753 38.460 -0.191 0.000 1.104 4127 Y HN 0.559 nan 8.280 nan 0.000 0.481 4128 F N 0.561 120.470 119.950 -0.069 0.000 2.380 4128 F HA 0.409 4.936 4.527 -0.000 0.000 0.321 4128 F C 1.083 176.775 175.800 -0.179 0.000 1.103 4128 F CA -1.099 56.685 58.000 -0.360 0.000 1.067 4128 F CB 0.926 39.414 39.000 -0.853 0.000 1.265 4128 F HN 0.328 nan 8.300 nan 0.000 0.517 4129 T N -1.633 112.962 114.554 0.069 0.000 2.903 4129 T HA 0.127 4.477 4.350 -0.001 0.000 0.314 4129 T C 1.111 175.877 174.700 0.111 0.000 1.078 4129 T CA -0.572 61.574 62.100 0.077 0.000 1.114 4129 T CB 0.697 69.603 68.868 0.064 0.000 0.987 4129 T HN 0.808 nan 8.240 nan 0.000 0.548 4130 R N 1.133 121.728 120.500 0.158 0.000 2.189 4130 R HA -0.019 4.321 4.340 -0.001 0.000 0.218 4130 R C 1.977 178.337 176.300 0.100 0.000 1.074 4130 R CA 1.422 57.678 56.100 0.260 0.000 0.991 4130 R CB -0.636 29.773 30.300 0.183 0.000 0.883 4130 R HN 0.562 nan 8.270 nan 0.000 0.457 4131 S N 0.518 116.198 115.700 -0.033 0.000 2.383 4131 S HA -0.100 4.370 4.470 -0.001 0.000 0.227 4131 S C 1.355 175.565 174.600 -0.650 0.000 1.026 4131 S CA 1.140 59.181 58.200 -0.265 0.000 0.981 4131 S CB -0.422 62.683 63.200 -0.159 0.000 0.818 4131 S HN 0.384 nan 8.310 nan 0.000 0.472 4132 F N 1.715 121.391 119.950 -0.456 0.000 2.069 4132 F HA -0.186 4.340 4.527 -0.000 0.000 0.298 4132 F C 1.999 177.543 175.800 -0.427 0.000 1.113 4132 F CA 1.407 59.147 58.000 -0.434 0.000 1.214 4132 F CB -0.512 38.263 39.000 -0.374 0.000 0.978 4132 F HN 0.121 nan 8.300 nan 0.000 0.474 4133 Y N 0.813 121.111 120.300 -0.003 0.000 2.151 4133 Y HA -0.263 4.286 4.550 -0.001 0.000 0.284 4133 Y C 2.420 178.230 175.900 -0.150 0.000 1.166 4133 Y CA 1.738 59.804 58.100 -0.056 0.000 1.163 4133 Y CB -1.053 37.438 38.460 0.050 0.000 0.974 4133 Y HN 0.036 nan 8.280 nan 0.000 0.511 4134 K N -0.787 119.585 120.400 -0.046 0.000 2.032 4134 K HA -0.214 4.106 4.320 -0.001 0.000 0.209 4134 K C 1.835 178.371 176.600 -0.106 0.000 1.048 4134 K CA 1.714 57.948 56.287 -0.089 0.000 0.927 4134 K CB -0.453 31.974 32.500 -0.121 0.000 0.712 4134 K HN 0.443 nan 8.250 nan 0.000 0.441 4135 H N 0.904 119.885 119.070 -0.147 0.000 2.319 4135 H HA -0.136 4.420 4.556 -0.001 0.000 0.297 4135 H C 2.238 177.437 175.328 -0.214 0.000 1.097 4135 H CA 1.374 57.289 56.048 -0.221 0.000 1.285 4135 H CB -0.630 28.895 29.762 -0.395 0.000 1.368 4135 H HN 0.203 nan 8.280 nan 0.000 0.495 4136 I N 0.517 120.962 120.570 -0.209 0.000 2.286 4136 I HA -0.228 3.942 4.170 -0.001 0.000 0.248 4136 I C 2.052 178.188 176.117 0.032 0.000 1.115 4136 I CA 0.957 62.133 61.300 -0.207 0.000 1.392 4136 I CB -0.213 37.566 38.000 -0.368 0.000 1.065 4136 I HN 0.084 nan 8.210 nan 0.000 0.418 4137 L N 0.465 121.714 121.223 0.042 0.000 2.554 4137 L HA 0.139 4.479 4.340 -0.001 0.000 0.226 4137 L C 1.463 178.384 176.870 0.086 0.000 1.137 4137 L CA 0.514 55.407 54.840 0.089 0.000 0.863 4137 L CB -0.501 41.605 42.059 0.078 0.000 0.985 4137 L HN 0.476 nan 8.230 nan 0.000 0.451 4138 G N 0.773 109.631 108.800 0.096 0.000 2.176 4138 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.252 4138 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.252 4138 G C 0.162 175.105 174.900 0.072 0.000 1.024 4138 G CA 0.058 45.212 45.100 0.089 0.000 0.755 4138 G HN 0.335 nan 8.290 nan 0.000 0.507 4139 K N 0.248 120.689 120.400 0.068 0.000 2.164 4139 K HA 0.562 4.881 4.320 -0.001 0.000 0.258 4139 K C 0.323 176.969 176.600 0.078 0.000 0.951 4139 K CA -0.458 55.867 56.287 0.064 0.000 0.844 4139 K CB 1.208 33.737 32.500 0.048 0.000 1.099 4139 K HN 0.090 nan 8.250 nan 0.000 0.435 4140 S N 1.716 117.474 115.700 0.097 0.000 2.549 4140 S HA 0.096 4.565 4.470 -0.001 0.000 0.279 4140 S C -0.196 174.457 174.600 0.088 0.000 1.321 4140 S CA -0.842 57.428 58.200 0.117 0.000 1.054 4140 S CB 0.416 63.747 63.200 0.218 0.000 0.899 4140 S HN 0.392 nan 8.310 nan 0.000 0.497 4141 V N 4.378 124.329 119.914 0.063 0.000 2.614 4141 V HA 0.564 4.683 4.120 -0.001 0.000 0.291 4141 V C 0.244 176.382 176.094 0.075 0.000 1.049 4141 V CA -0.554 61.775 62.300 0.047 0.000 1.038 4141 V CB 0.541 32.392 31.823 0.046 0.000 0.980 4141 V HN 0.828 nan 8.190 nan 0.000 0.481 4142 R N 2.373 122.917 120.500 0.073 0.000 2.596 4142 R HA 0.383 4.723 4.340 -0.001 0.000 0.267 4142 R C 0.892 177.246 176.300 0.091 0.000 1.026 4142 R CA -0.124 56.041 56.100 0.108 0.000 1.087 4142 R CB 1.047 31.371 30.300 0.040 0.000 1.132 4142 R HN 0.972 nan 8.270 nan 0.000 0.531 4143 Y N -0.746 119.642 120.300 0.146 0.000 2.483 4143 Y HA -0.107 4.442 4.550 -0.001 0.000 0.291 4143 Y C 1.450 177.509 175.900 0.266 0.000 1.143 4143 Y CA 1.232 59.451 58.100 0.198 0.000 1.289 4143 Y CB -0.676 37.896 38.460 0.186 0.000 0.983 4143 Y HN 0.452 nan 8.280 nan 0.000 0.556 4144 T N -0.726 113.530 114.554 -0.498 0.000 2.881 4144 T HA -0.173 4.176 4.350 -0.001 0.000 0.270 4144 T C 1.019 175.600 174.700 -0.198 0.000 1.068 4144 T CA 1.372 63.275 62.100 -0.329 0.000 1.131 4144 T CB -0.324 68.344 68.868 -0.334 0.000 0.871 4144 T HN 0.441 nan 8.240 nan 0.000 0.479 4145 D N 0.650 120.993 120.400 -0.095 0.000 2.371 4145 D HA 0.064 4.703 4.640 -0.001 0.000 0.221 4145 D C 1.770 178.048 176.300 -0.036 0.000 0.986 4145 D CA 0.445 54.409 54.000 -0.059 0.000 0.899 4145 D CB -0.052 40.740 40.800 -0.013 0.000 0.902 4145 D HN 0.300 nan 8.370 nan 0.000 0.530 4146 M N -0.010 119.599 119.600 0.015 0.000 2.287 4146 M HA -0.034 4.446 4.480 -0.001 0.000 0.266 4146 M C 2.052 178.340 176.300 -0.021 0.000 1.079 4146 M CA 0.701 56.063 55.300 0.103 0.000 1.146 4146 M CB -0.711 32.109 32.600 0.367 0.000 1.374 4146 M HN 0.056 nan 8.290 nan 0.000 0.435 4147 E N 0.352 120.329 120.200 -0.371 0.000 2.097 4147 E HA -0.173 4.177 4.350 -0.001 0.000 0.196 4147 E C 1.647 178.166 176.600 -0.136 0.000 1.000 4147 E CA 1.684 57.795 56.400 -0.482 0.000 0.804 4147 E CB 0.227 29.337 29.700 -0.985 0.000 0.740 4147 E HN 0.358 nan 8.360 nan 0.000 0.454 4148 S N -0.018 115.588 115.700 -0.157 0.000 2.496 4148 S HA -0.021 4.449 4.470 -0.001 0.000 0.224 4148 S C 1.352 175.909 174.600 -0.070 0.000 0.996 4148 S CA 0.345 58.468 58.200 -0.128 0.000 0.927 4148 S CB 0.107 63.224 63.200 -0.138 0.000 0.774 4148 S HN 0.251 nan 8.310 nan 0.000 0.524 4149 E N 0.809 120.994 120.200 -0.025 0.000 2.132 4149 E HA 0.122 4.471 4.350 -0.001 0.000 0.193 4149 E C 0.045 176.670 176.600 0.041 0.000 0.951 4149 E CA 0.617 57.020 56.400 0.006 0.000 0.843 4149 E CB 0.191 29.902 29.700 0.019 0.000 0.807 4149 E HN 0.192 nan 8.360 nan 0.000 0.467 4150 D N -0.463 119.994 120.400 0.095 0.000 2.429 4150 D HA 0.018 4.658 4.640 -0.001 0.000 0.255 4150 D C 0.258 176.705 176.300 0.245 0.000 1.257 4150 D CA -0.456 53.640 54.000 0.161 0.000 0.890 4150 D CB -0.022 40.865 40.800 0.145 0.000 1.267 4150 D HN -0.124 nan 8.370 nan 0.000 0.521 4151 Y N 3.270 123.596 120.300 0.042 0.000 2.102 4151 Y HA -0.301 4.249 4.550 -0.000 0.000 0.280 4151 Y C 1.808 177.765 175.900 0.094 0.000 1.178 4151 Y CA 2.098 60.197 58.100 -0.001 0.000 1.146 4151 Y CB 0.069 38.415 38.460 -0.191 0.000 0.968 4151 Y HN 0.515 nan 8.280 nan 0.000 0.504 4152 H N -1.842 117.341 119.070 0.188 0.000 2.363 4152 H HA -0.151 4.404 4.556 -0.001 0.000 0.301 4152 H C 2.213 177.590 175.328 0.082 0.000 1.074 4152 H CA 1.628 57.717 56.048 0.069 0.000 1.354 4152 H CB -1.024 28.812 29.762 0.122 0.000 1.397 4152 H HN 0.470 nan 8.280 nan 0.000 0.516 4153 F N 1.450 121.498 119.950 0.164 0.000 2.126 4153 F HA -0.315 4.212 4.527 -0.001 0.000 0.299 4153 F C 2.723 178.591 175.800 0.112 0.000 1.096 4153 F CA 1.513 59.582 58.000 0.116 0.000 1.255 4153 F CB -0.570 38.497 39.000 0.112 0.000 0.997 4153 F HN 0.080 nan 8.300 nan 0.000 0.479 4154 Y N 1.184 121.591 120.300 0.179 0.000 2.128 4154 Y HA -0.296 4.254 4.550 -0.001 0.000 0.284 4154 Y C 2.402 178.284 175.900 -0.030 0.000 1.154 4154 Y CA 2.181 60.337 58.100 0.093 0.000 1.149 4154 Y CB -0.827 37.691 38.460 0.098 0.000 0.976 4154 Y HN 0.157 nan 8.280 nan 0.000 0.505 4155 Q N 0.078 119.695 119.800 -0.306 0.000 2.135 4155 Q HA -0.151 4.189 4.340 -0.001 0.000 0.204 4155 Q C 2.521 178.368 176.000 -0.255 0.000 0.981 4155 Q CA 1.396 56.973 55.803 -0.377 0.000 0.856 4155 Q CB -0.875 27.720 28.738 -0.239 0.000 0.902 4155 Q HN 0.705 nan 8.270 nan 0.000 0.425 4156 G N 1.009 109.674 108.800 -0.225 0.000 2.418 4156 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.217 4156 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.217 4156 G C 1.430 176.203 174.900 -0.212 0.000 1.158 4156 G CA 0.495 45.471 45.100 -0.207 0.000 0.771 4156 G HN 0.168 nan 8.290 nan 0.000 0.545 4157 L N 0.587 121.611 121.223 -0.332 0.000 2.017 4157 L HA -0.042 4.298 4.340 -0.001 0.000 0.208 4157 L C 3.195 179.886 176.870 -0.298 0.000 1.073 4157 L CA 0.890 55.560 54.840 -0.283 0.000 0.745 4157 L CB -1.020 40.910 42.059 -0.215 0.000 0.894 4157 L HN 0.113 nan 8.230 nan 0.000 0.432 4158 V N -1.406 118.299 119.914 -0.349 0.000 2.282 4158 V HA -0.377 3.742 4.120 -0.001 0.000 0.249 4158 V C 2.281 178.282 176.094 -0.155 0.000 1.057 4158 V CA 2.054 64.193 62.300 -0.268 0.000 1.032 4158 V CB -0.886 30.767 31.823 -0.283 0.000 0.645 4158 V HN 0.445 nan 8.190 nan 0.000 0.447 4159 Y N 0.242 120.422 120.300 -0.200 0.000 2.128 4159 Y HA -0.267 4.283 4.550 -0.001 0.000 0.284 4159 Y C 2.306 178.129 175.900 -0.128 0.000 1.154 4159 Y CA 1.989 60.009 58.100 -0.133 0.000 1.149 4159 Y CB -0.218 38.181 38.460 -0.103 0.000 0.976 4159 Y HN 0.212 nan 8.280 nan 0.000 0.505 4160 L N -0.454 120.763 121.223 -0.010 0.000 2.012 4160 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 4160 L C 2.042 178.809 176.870 -0.172 0.000 1.073 4160 L CA 1.613 56.402 54.840 -0.084 0.000 0.748 4160 L CB -0.929 41.092 42.059 -0.063 0.000 0.891 4160 L HN 0.252 nan 8.230 nan 0.000 0.431 4161 L N -0.430 120.674 121.223 -0.198 0.000 2.127 4161 L HA -0.188 4.152 4.340 -0.001 0.000 0.211 4161 L C 2.383 179.143 176.870 -0.182 0.000 1.089 4161 L CA 1.701 56.422 54.840 -0.199 0.000 0.757 4161 L CB -0.963 40.932 42.059 -0.274 0.000 0.899 4161 L HN 0.466 nan 8.230 nan 0.000 0.434 4162 E N -1.827 118.232 120.200 -0.236 0.000 2.473 4162 E HA 0.114 4.464 4.350 -0.001 0.000 0.204 4162 E C 0.192 176.614 176.600 -0.297 0.000 0.994 4162 E CA -0.124 56.136 56.400 -0.232 0.000 0.945 4162 E CB 0.528 30.100 29.700 -0.215 0.000 0.990 4162 E HN 0.501 nan 8.360 nan 0.000 0.493 4163 N N 0.609 119.067 118.700 -0.403 0.000 2.453 4163 N HA 0.103 4.843 4.740 -0.001 0.000 0.290 4163 N C -1.085 174.276 175.510 -0.249 0.000 1.250 4163 N CA -0.578 52.229 53.050 -0.405 0.000 0.815 4163 N CB 1.532 39.557 38.487 -0.771 0.000 1.381 4163 N HN -0.061 nan 8.380 nan 0.000 0.510 4164 D N 0.792 121.085 120.400 -0.179 0.000 2.389 4164 D HA 0.059 4.699 4.640 -0.001 0.000 0.247 4164 D C 1.154 177.376 176.300 -0.129 0.000 1.128 4164 D CA -0.138 53.786 54.000 -0.126 0.000 0.884 4164 D CB 1.696 42.441 40.800 -0.092 0.000 1.194 4164 D HN 0.115 nan 8.370 nan 0.000 0.441 4165 V N 3.262 123.101 119.914 -0.124 0.000 2.407 4165 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 4165 V C 2.343 178.349 176.094 -0.146 0.000 1.055 4165 V CA 1.520 63.733 62.300 -0.145 0.000 1.049 4165 V CB -0.352 31.394 31.823 -0.128 0.000 0.662 4165 V HN 0.546 nan 8.190 nan 0.000 0.455 4166 S N -0.733 114.904 115.700 -0.106 0.000 2.465 4166 S HA -0.194 4.276 4.470 -0.001 0.000 0.241 4166 S C 1.964 176.507 174.600 -0.094 0.000 1.000 4166 S CA 1.715 59.861 58.200 -0.089 0.000 0.964 4166 S CB -0.299 62.864 63.200 -0.062 0.000 0.763 4166 S HN 0.657 nan 8.310 nan 0.000 0.512 4167 T N 2.127 116.621 114.554 -0.100 0.000 3.009 4167 T HA 0.229 4.579 4.350 -0.001 0.000 0.258 4167 T C 1.628 176.273 174.700 -0.092 0.000 1.063 4167 T CA 0.261 62.319 62.100 -0.069 0.000 1.139 4167 T CB -0.225 68.618 68.868 -0.042 0.000 0.890 4167 T HN 0.273 nan 8.240 nan 0.000 0.471 4168 L N 0.752 121.852 121.223 -0.204 0.000 2.137 4168 L HA -0.077 4.263 4.340 -0.001 0.000 0.213 4168 L C 2.115 178.774 176.870 -0.352 0.000 1.085 4168 L CA 1.281 55.870 54.840 -0.418 0.000 0.760 4168 L CB -0.914 40.547 42.059 -0.998 0.000 0.893 4168 L HN 0.515 nan 8.230 nan 0.000 0.434 4169 G N -0.875 107.796 108.800 -0.216 0.000 2.143 4169 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.248 4169 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.248 4169 G C -0.023 174.923 174.900 0.077 0.000 0.991 4169 G CA 0.383 45.462 45.100 -0.035 0.000 0.689 4169 G HN 0.585 nan 8.290 nan 0.000 0.522 4170 Y N -1.814 118.472 120.300 -0.022 0.000 2.662 4170 Y HA 0.577 5.127 4.550 -0.001 0.000 0.334 4170 Y C -0.881 174.999 175.900 -0.034 0.000 1.185 4170 Y CA -1.573 56.511 58.100 -0.026 0.000 1.074 4170 Y CB 0.365 38.806 38.460 -0.031 0.000 1.330 4170 Y HN 0.229 nan 8.280 nan 0.000 0.458 4171 D N 1.653 122.111 120.400 0.097 0.000 2.340 4171 D HA 0.663 5.302 4.640 -0.001 0.000 0.240 4171 D C -1.131 175.225 176.300 0.094 0.000 1.001 4171 D CA -0.584 53.421 54.000 0.009 0.000 0.888 4171 D CB 2.332 43.115 40.800 -0.028 0.000 1.310 4171 D HN 0.692 nan 8.370 nan 0.000 0.474 4172 L N 0.302 121.519 121.223 -0.009 0.000 2.334 4172 L HA 0.663 5.003 4.340 -0.001 0.000 0.272 4172 L C 0.447 177.265 176.870 -0.086 0.000 1.020 4172 L CA -0.832 53.977 54.840 -0.050 0.000 0.812 4172 L CB 2.063 43.990 42.059 -0.220 0.000 1.264 4172 L HN 0.548 nan 8.230 nan 0.000 0.439 4173 T N -0.327 114.227 114.554 0.001 0.000 2.940 4173 T HA 0.469 4.818 4.350 -0.001 0.000 0.288 4173 T C -0.287 174.533 174.700 0.200 0.000 1.033 4173 T CA -0.456 61.715 62.100 0.117 0.000 1.033 4173 T CB 0.621 69.576 68.868 0.144 0.000 1.079 4173 T HN 0.264 nan 8.240 nan 0.000 0.496 4174 F N 3.749 123.811 119.950 0.186 0.000 2.651 4174 F HA 0.338 4.865 4.527 -0.001 0.000 0.367 4174 F C 0.919 176.839 175.800 0.200 0.000 1.225 4174 F CA 0.064 58.236 58.000 0.287 0.000 1.310 4174 F CB -0.485 38.636 39.000 0.201 0.000 1.724 4174 F HN 0.623 nan 8.300 nan 0.000 0.662 4175 S N -0.794 115.083 115.700 0.295 0.000 2.579 4175 S HA 0.647 5.117 4.470 -0.001 0.000 0.290 4175 S C -0.727 173.967 174.600 0.157 0.000 1.123 4175 S CA -1.032 57.279 58.200 0.186 0.000 0.894 4175 S CB 1.427 64.719 63.200 0.154 0.000 1.095 4175 S HN 0.090 nan 8.310 nan 0.000 0.450 4176 T N 0.760 115.373 114.554 0.098 0.000 2.865 4176 T HA 0.616 4.965 4.350 -0.001 0.000 0.294 4176 T C -0.935 173.783 174.700 0.030 0.000 1.119 4176 T CA -1.156 60.989 62.100 0.074 0.000 1.007 4176 T CB 1.168 70.063 68.868 0.046 0.000 1.225 4176 T HN 0.749 nan 8.240 nan 0.000 0.515 4177 E N 0.489 120.700 120.200 0.018 0.000 2.384 4177 E HA 0.461 4.810 4.350 -0.001 0.000 0.266 4177 E C -0.911 175.675 176.600 -0.025 0.000 1.012 4177 E CA -0.476 55.924 56.400 0.001 0.000 0.901 4177 E CB 0.653 30.354 29.700 0.003 0.000 0.967 4177 E HN 0.248 nan 8.360 nan 0.000 0.435 4178 V N 2.904 122.808 119.914 -0.017 0.000 2.623 4178 V HA 0.136 4.256 4.120 -0.001 0.000 0.304 4178 V C -0.620 175.468 176.094 -0.009 0.000 1.054 4178 V CA -0.795 61.490 62.300 -0.024 0.000 0.882 4178 V CB 1.804 33.611 31.823 -0.026 0.000 1.002 4178 V HN 0.650 nan 8.190 nan 0.000 0.424 4179 Q N 3.359 123.158 119.800 -0.001 0.000 2.430 4179 Q HA 0.411 4.750 4.340 -0.001 0.000 0.245 4179 Q C -0.489 175.529 176.000 0.030 0.000 1.021 4179 Q CA -0.190 55.622 55.803 0.014 0.000 0.867 4179 Q CB 1.073 29.824 28.738 0.022 0.000 1.210 4179 Q HN 0.826 nan 8.270 nan 0.000 0.487 4180 E N 3.395 123.611 120.200 0.027 0.000 2.179 4180 E HA 0.186 4.535 4.350 -0.001 0.000 0.275 4180 E C -0.814 175.848 176.600 0.103 0.000 0.945 4180 E CA -0.646 55.799 56.400 0.074 0.000 0.792 4180 E CB 0.609 30.312 29.700 0.005 0.000 1.125 4180 E HN 0.637 nan 8.360 nan 0.000 0.397 4181 F N 3.081 122.863 119.950 -0.280 0.000 3.019 4181 F HA -0.248 4.278 4.527 -0.001 0.000 0.259 4181 F C 1.184 176.517 175.800 -0.777 0.000 0.976 4181 F CA 1.731 59.300 58.000 -0.717 0.000 0.876 4181 F CB -1.706 37.090 39.000 -0.340 0.000 0.784 4181 F HN 0.869 nan 8.300 nan 0.000 0.786 4182 G N -1.467 107.117 108.800 -0.361 0.000 2.184 4182 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.264 4182 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.264 4182 G C -0.044 174.848 174.900 -0.013 0.000 0.975 4182 G CA 0.086 45.144 45.100 -0.070 0.000 0.642 4182 G HN 0.822 nan 8.290 nan 0.000 0.536 4183 V N 1.002 120.906 119.914 -0.017 0.000 2.384 4183 V HA 0.444 4.563 4.120 -0.001 0.000 0.287 4183 V C 0.760 176.856 176.094 0.003 0.000 1.020 4183 V CA -0.768 61.531 62.300 -0.001 0.000 0.850 4183 V CB 1.516 33.337 31.823 -0.003 0.000 0.987 4183 V HN 0.400 nan 8.190 nan 0.000 0.436 4184 C N 5.186 124.490 119.300 0.007 0.000 2.373 4184 C HA 0.564 5.024 4.460 -0.001 0.000 0.354 4184 C C 0.554 175.547 174.990 0.005 0.000 1.249 4184 C CA -0.622 58.400 59.018 0.007 0.000 1.784 4184 C CB -1.149 26.597 27.740 0.010 0.000 2.408 4184 C HN 0.886 nan 8.230 nan 0.000 0.542 4185 E N 0.972 121.173 120.200 0.002 0.000 2.359 4185 E HA 0.640 4.989 4.350 -0.001 0.000 0.266 4185 E C -1.289 175.317 176.600 0.009 0.000 0.920 4185 E CA -0.721 55.681 56.400 0.004 0.000 0.788 4185 E CB 2.008 31.706 29.700 -0.003 0.000 1.279 4185 E HN 0.397 nan 8.360 nan 0.000 0.438 4186 V N 1.981 121.905 119.914 0.017 0.000 2.417 4186 V HA 0.433 4.552 4.120 -0.001 0.000 0.291 4186 V C -0.242 175.871 176.094 0.031 0.000 1.024 4186 V CA -0.700 61.617 62.300 0.029 0.000 0.861 4186 V CB 1.143 32.990 31.823 0.039 0.000 0.985 4186 V HN 0.496 nan 8.190 nan 0.000 0.436 4187 R N 2.400 122.920 120.500 0.034 0.000 2.534 4187 R HA 0.421 4.761 4.340 -0.001 0.000 0.301 4187 R C -1.197 175.140 176.300 0.061 0.000 0.961 4187 R CA -0.906 55.215 56.100 0.034 0.000 0.871 4187 R CB 2.068 32.376 30.300 0.014 0.000 1.170 4187 R HN 0.665 nan 8.270 nan 0.000 0.446 4188 D N 2.600 123.040 120.400 0.067 0.000 2.423 4188 D HA -0.002 4.638 4.640 -0.001 0.000 0.238 4188 D C 1.262 177.625 176.300 0.106 0.000 1.142 4188 D CA 0.167 54.227 54.000 0.101 0.000 0.884 4188 D CB 1.265 42.112 40.800 0.080 0.000 1.199 4188 D HN 0.396 nan 8.370 nan 0.000 0.438 4189 L N 0.374 121.699 121.223 0.171 0.000 2.513 4189 L HA 0.098 4.438 4.340 -0.001 0.000 0.222 4189 L C 1.092 178.056 176.870 0.157 0.000 1.096 4189 L CA 0.436 55.377 54.840 0.169 0.000 0.857 4189 L CB -0.102 42.105 42.059 0.247 0.000 1.026 4189 L HN 0.440 nan 8.230 nan 0.000 0.469 4190 K N -1.533 118.946 120.400 0.131 0.000 2.556 4190 K HA 0.422 4.741 4.320 -0.001 0.000 0.289 4190 K C -2.929 173.684 176.600 0.021 0.000 1.040 4190 K CA -1.771 54.550 56.287 0.057 0.000 0.894 4190 K CB 0.536 33.047 32.500 0.017 0.000 1.547 4190 K HN -0.424 nan 8.250 nan 0.000 0.417 4191 P HA 0.040 nan 4.420 nan 0.000 0.257 4191 P C -0.720 176.567 177.300 -0.022 0.000 1.189 4191 P CA 0.841 63.933 63.100 -0.013 0.000 0.780 4191 P CB -0.201 31.486 31.700 -0.022 0.000 0.772 4192 N N 2.490 121.191 118.700 0.002 0.000 2.815 4192 N HA -0.142 4.598 4.740 -0.001 0.000 0.248 4192 N C 1.217 176.743 175.510 0.027 0.000 1.110 4192 N CA 1.154 54.210 53.050 0.009 0.000 0.699 4192 N CB -1.474 37.009 38.487 -0.007 0.000 1.040 4192 N HN 0.480 nan 8.380 nan 0.000 0.555 4193 G N -0.122 108.715 108.800 0.063 0.000 2.440 4193 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.218 4193 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.218 4193 G C 1.531 176.546 174.900 0.192 0.000 1.154 4193 G CA 1.406 46.597 45.100 0.152 0.000 0.767 4193 G HN 0.689 nan 8.290 nan 0.000 0.552 4194 A N 0.631 123.531 122.820 0.134 0.000 2.019 4194 A HA -0.018 4.302 4.320 -0.001 0.000 0.219 4194 A C 2.005 179.650 177.584 0.101 0.000 1.164 4194 A CA 1.412 53.521 52.037 0.119 0.000 0.644 4194 A CB -0.205 18.845 19.000 0.085 0.000 0.805 4194 A HN 0.348 nan 8.150 nan 0.000 0.449 4195 N N -0.589 118.158 118.700 0.080 0.000 2.270 4195 N HA 0.238 4.978 4.740 -0.001 0.000 0.198 4195 N C -0.488 175.059 175.510 0.060 0.000 1.117 4195 N CA 0.236 53.321 53.050 0.059 0.000 0.845 4195 N CB 0.445 38.953 38.487 0.035 0.000 0.980 4195 N HN 0.426 nan 8.380 nan 0.000 0.486 4196 I N 1.420 122.047 120.570 0.096 0.000 2.378 4196 I HA 0.255 4.424 4.170 -0.001 0.000 0.291 4196 I C -0.149 176.108 176.117 0.232 0.000 0.992 4196 I CA -0.651 60.704 61.300 0.091 0.000 1.154 4196 I CB 1.731 39.694 38.000 -0.062 0.000 1.315 4196 I HN -0.283 nan 8.210 nan 0.000 0.448 4197 L N 6.329 127.649 121.223 0.162 0.000 2.418 4197 L HA 0.378 4.718 4.340 -0.001 0.000 0.265 4197 L C -0.187 176.818 176.870 0.225 0.000 1.143 4197 L CA -0.679 54.249 54.840 0.147 0.000 0.809 4197 L CB 1.180 43.275 42.059 0.061 0.000 1.124 4197 L HN 0.259 nan 8.230 nan 0.000 0.456 4198 V N 1.009 120.959 119.914 0.061 0.000 2.583 4198 V HA 0.393 4.513 4.120 -0.001 0.000 0.287 4198 V C 0.271 176.355 176.094 -0.017 0.000 1.051 4198 V CA -0.329 61.958 62.300 -0.021 0.000 1.010 4198 V CB 1.079 32.643 31.823 -0.432 0.000 0.988 4198 V HN 0.888 nan 8.190 nan 0.000 0.478 4199 T N 2.140 116.712 114.554 0.029 0.000 2.888 4199 T HA 0.317 4.666 4.350 -0.001 0.000 0.288 4199 T C 0.775 175.468 174.700 -0.013 0.000 1.063 4199 T CA -0.518 61.582 62.100 -0.000 0.000 1.010 4199 T CB 1.886 70.768 68.868 0.024 0.000 1.214 4199 T HN 0.648 nan 8.240 nan 0.000 0.533 4200 E N 0.103 120.287 120.200 -0.027 0.000 2.267 4200 E HA -0.140 4.209 4.350 -0.001 0.000 0.197 4200 E C 1.515 178.115 176.600 -0.001 0.000 0.998 4200 E CA 1.161 57.544 56.400 -0.028 0.000 0.830 4200 E CB 0.008 29.686 29.700 -0.036 0.000 0.751 4200 E HN 0.477 nan 8.360 nan 0.000 0.491 4201 E N 0.034 120.244 120.200 0.017 0.000 2.046 4201 E HA -0.105 4.245 4.350 -0.001 0.000 0.190 4201 E C 1.024 177.663 176.600 0.065 0.000 0.982 4201 E CA 1.583 58.003 56.400 0.033 0.000 0.800 4201 E CB -0.219 29.498 29.700 0.030 0.000 0.756 4201 E HN 0.610 nan 8.360 nan 0.000 0.449 4202 N N -0.427 118.341 118.700 0.112 0.000 2.197 4202 N HA 0.054 4.793 4.740 -0.001 0.000 0.228 4202 N C 1.022 176.674 175.510 0.238 0.000 1.212 4202 N CA -0.052 53.122 53.050 0.207 0.000 0.883 4202 N CB 0.334 39.003 38.487 0.303 0.000 1.107 4202 N HN 0.019 nan 8.380 nan 0.000 0.519 4203 K N 1.517 121.983 120.400 0.111 0.000 2.097 4203 K HA -0.083 4.237 4.320 -0.001 0.000 0.206 4203 K C 1.880 178.541 176.600 0.102 0.000 1.049 4203 K CA 0.920 57.240 56.287 0.055 0.000 0.933 4203 K CB 0.000 32.482 32.500 -0.031 0.000 0.717 4203 K HN -0.082 nan 8.250 nan 0.000 0.442 4204 K N 1.317 121.765 120.400 0.080 0.000 2.001 4204 K HA -0.218 4.102 4.320 -0.001 0.000 0.214 4204 K C 2.275 178.963 176.600 0.147 0.000 1.050 4204 K CA 2.107 58.442 56.287 0.080 0.000 0.934 4204 K CB -0.204 32.332 32.500 0.060 0.000 0.718 4204 K HN 0.419 nan 8.250 nan 0.000 0.443 4205 E N -0.715 119.597 120.200 0.187 0.000 2.070 4205 E HA -0.301 4.049 4.350 -0.001 0.000 0.197 4205 E C 2.024 178.816 176.600 0.319 0.000 1.004 4205 E CA 1.701 58.256 56.400 0.258 0.000 0.805 4205 E CB -0.312 29.564 29.700 0.293 0.000 0.744 4205 E HN 0.482 nan 8.360 nan 0.000 0.451 4206 Y N 0.798 121.167 120.300 0.115 0.000 2.128 4206 Y HA -0.235 4.314 4.550 -0.001 0.000 0.284 4206 Y C 2.121 177.982 175.900 -0.066 0.000 1.154 4206 Y CA 1.767 59.735 58.100 -0.219 0.000 1.149 4206 Y CB -0.383 37.647 38.460 -0.717 0.000 0.976 4206 Y HN -0.082 nan 8.280 nan 0.000 0.505 4207 V N 0.831 120.751 119.914 0.010 0.000 2.392 4207 V HA -0.344 3.776 4.120 -0.001 0.000 0.249 4207 V C 2.547 178.647 176.094 0.010 0.000 1.059 4207 V CA 2.414 64.686 62.300 -0.047 0.000 1.051 4207 V CB -0.979 30.846 31.823 0.002 0.000 0.658 4207 V HN 0.646 nan 8.190 nan 0.000 0.455 4208 H N -0.774 118.305 119.070 0.014 0.000 2.395 4208 H HA -0.052 4.504 4.556 -0.001 0.000 0.299 4208 H C 2.178 177.522 175.328 0.027 0.000 1.070 4208 H CA 1.288 57.372 56.048 0.061 0.000 1.356 4208 H CB 0.239 30.053 29.762 0.088 0.000 1.401 4208 H HN 0.243 nan 8.280 nan 0.000 0.524 4209 L N 0.439 121.650 121.223 -0.020 0.000 2.095 4209 L HA -0.085 4.254 4.340 -0.001 0.000 0.204 4209 L C 2.840 179.618 176.870 -0.153 0.000 1.080 4209 L CA 0.753 55.557 54.840 -0.061 0.000 0.759 4209 L CB -1.139 40.977 42.059 0.095 0.000 0.914 4209 L HN 0.179 nan 8.230 nan 0.000 0.439 4210 V N -0.767 118.975 119.914 -0.287 0.000 2.594 4210 V HA -0.307 3.813 4.120 -0.001 0.000 0.253 4210 V C 2.568 178.604 176.094 -0.098 0.000 1.069 4210 V CA 1.480 63.619 62.300 -0.269 0.000 1.082 4210 V CB 0.063 31.561 31.823 -0.541 0.000 0.680 4210 V HN 0.503 nan 8.190 nan 0.000 0.469 4211 C N -1.005 118.257 119.300 -0.064 0.000 2.541 4211 C HA -0.088 4.372 4.460 -0.001 0.000 0.282 4211 C C 2.613 177.572 174.990 -0.051 0.000 1.263 4211 C CA 0.992 60.012 59.018 0.004 0.000 1.709 4211 C CB -0.827 26.945 27.740 0.054 0.000 2.097 4211 C HN 0.568 nan 8.230 nan 0.000 0.480 4212 Q N 0.322 120.046 119.800 -0.126 0.000 2.082 4212 Q HA -0.282 4.058 4.340 -0.001 0.000 0.211 4212 Q C 2.029 177.981 176.000 -0.080 0.000 1.002 4212 Q CA 2.318 58.053 55.803 -0.115 0.000 0.868 4212 Q CB -0.613 28.013 28.738 -0.187 0.000 0.931 4212 Q HN 0.698 nan 8.270 nan 0.000 0.414 4213 M N -0.783 118.765 119.600 -0.086 0.000 2.123 4213 M HA -0.067 4.412 4.480 -0.001 0.000 0.263 4213 M C 1.882 178.130 176.300 -0.086 0.000 1.069 4213 M CA 1.645 56.901 55.300 -0.075 0.000 1.133 4213 M CB -0.102 32.461 32.600 -0.062 0.000 1.356 4213 M HN -0.013 nan 8.290 nan 0.000 0.415 4214 R N -0.791 119.641 120.500 -0.114 0.000 2.152 4214 R HA -0.065 4.275 4.340 -0.001 0.000 0.232 4214 R C 1.900 178.139 176.300 -0.103 0.000 1.117 4214 R CA 1.717 57.719 56.100 -0.162 0.000 0.981 4214 R CB -0.299 29.825 30.300 -0.292 0.000 0.870 4214 R HN 0.472 nan 8.270 nan 0.000 0.451 4215 M N -1.603 117.962 119.600 -0.057 0.000 2.447 4215 M HA 0.016 4.495 4.480 -0.001 0.000 0.266 4215 M C 1.462 177.746 176.300 -0.026 0.000 1.120 4215 M CA 1.527 56.824 55.300 -0.004 0.000 1.166 4215 M CB 0.529 33.162 32.600 0.054 0.000 1.349 4215 M HN 0.201 nan 8.290 nan 0.000 0.463 4216 T N -4.769 109.739 114.554 -0.076 0.000 2.975 4216 T HA 0.314 4.664 4.350 -0.001 0.000 0.257 4216 T C 1.762 176.397 174.700 -0.109 0.000 1.003 4216 T CA 0.298 62.312 62.100 -0.144 0.000 0.932 4216 T CB -0.552 68.182 68.868 -0.224 0.000 1.087 4216 T HN 0.297 nan 8.240 nan 0.000 0.512 4217 G N 1.367 110.120 108.800 -0.078 0.000 2.448 4217 G HA2 0.135 4.095 3.960 -0.001 0.000 0.219 4217 G HA3 0.135 4.095 3.960 -0.001 0.000 0.219 4217 G C 1.597 176.469 174.900 -0.047 0.000 1.127 4217 G CA 0.662 45.724 45.100 -0.064 0.000 0.766 4217 G HN 0.709 nan 8.290 nan 0.000 0.552 4218 A N 0.533 123.336 122.820 -0.030 0.000 2.132 4218 A HA 0.342 4.662 4.320 -0.001 0.000 0.213 4218 A C 2.047 179.657 177.584 0.044 0.000 1.154 4218 A CA 0.896 52.943 52.037 0.016 0.000 0.753 4218 A CB -0.146 18.868 19.000 0.024 0.000 0.826 4218 A HN 0.703 nan 8.150 nan 0.000 0.469 4219 I N -4.694 115.865 120.570 -0.019 0.000 4.025 4219 I HA 0.243 4.413 4.170 -0.001 0.000 0.336 4219 I C 1.446 177.495 176.117 -0.114 0.000 1.390 4219 I CA -0.313 60.955 61.300 -0.053 0.000 1.099 4219 I CB 0.113 38.059 38.000 -0.090 0.000 1.049 4219 I HN 0.003 nan 8.210 nan 0.000 0.394 4220 R N 2.453 122.892 120.500 -0.100 0.000 2.112 4220 R HA -0.172 4.167 4.340 -0.001 0.000 0.242 4220 R C 1.792 178.023 176.300 -0.115 0.000 1.137 4220 R CA 2.092 58.119 56.100 -0.121 0.000 0.944 4220 R CB -0.575 29.662 30.300 -0.105 0.000 0.857 4220 R HN 0.489 nan 8.270 nan 0.000 0.435 4221 K N 0.598 120.946 120.400 -0.087 0.000 2.103 4221 K HA -0.124 4.196 4.320 -0.001 0.000 0.204 4221 K C 2.250 178.792 176.600 -0.097 0.000 1.052 4221 K CA 1.239 57.487 56.287 -0.065 0.000 0.945 4221 K CB -0.055 32.411 32.500 -0.057 0.000 0.722 4221 K HN 0.136 nan 8.250 nan 0.000 0.443 4222 Q N 1.054 120.739 119.800 -0.191 0.000 2.061 4222 Q HA -0.162 4.177 4.340 -0.001 0.000 0.204 4222 Q C 2.083 177.790 176.000 -0.488 0.000 0.984 4222 Q CA 1.247 56.681 55.803 -0.615 0.000 0.846 4222 Q CB -0.265 27.870 28.738 -1.005 0.000 0.902 4222 Q HN 0.144 nan 8.270 nan 0.000 0.421 4223 L N 0.329 121.364 121.223 -0.314 0.000 2.017 4223 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 4223 L C 2.061 178.887 176.870 -0.075 0.000 1.073 4223 L CA 2.130 56.847 54.840 -0.205 0.000 0.745 4223 L CB -1.088 40.808 42.059 -0.271 0.000 0.894 4223 L HN 0.199 nan 8.230 nan 0.000 0.432 4224 A N -0.421 122.355 122.820 -0.074 0.000 1.917 4224 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 4224 A C 2.461 180.064 177.584 0.032 0.000 1.182 4224 A CA 2.229 54.256 52.037 -0.016 0.000 0.633 4224 A CB -1.274 17.715 19.000 -0.018 0.000 0.819 4224 A HN 0.602 nan 8.150 nan 0.000 0.448 4225 A N -1.107 121.743 122.820 0.050 0.000 1.865 4225 A HA -0.085 4.235 4.320 -0.001 0.000 0.217 4225 A C 2.106 179.803 177.584 0.188 0.000 1.191 4225 A CA 1.681 53.794 52.037 0.126 0.000 0.623 4225 A CB -0.860 18.245 19.000 0.175 0.000 0.826 4225 A HN 0.772 nan 8.150 nan 0.000 0.444 4226 F N 0.124 120.134 119.950 0.101 0.000 2.091 4226 F HA -0.215 4.312 4.527 -0.001 0.000 0.299 4226 F C 1.863 177.671 175.800 0.013 0.000 1.103 4226 F CA 1.822 59.917 58.000 0.159 0.000 1.228 4226 F CB -0.195 38.934 39.000 0.215 0.000 0.984 4226 F HN 0.156 nan 8.300 nan 0.000 0.477 4227 L N 0.897 122.182 121.223 0.103 0.000 2.046 4227 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 4227 L C 2.462 179.151 176.870 -0.302 0.000 1.077 4227 L CA 2.014 56.687 54.840 -0.277 0.000 0.747 4227 L CB -1.464 40.438 42.059 -0.262 0.000 0.896 4227 L HN 0.348 nan 8.230 nan 0.000 0.432 4228 E N -0.744 119.424 120.200 -0.054 0.000 2.085 4228 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 4228 E C 2.149 178.758 176.600 0.014 0.000 0.994 4228 E CA 1.258 57.681 56.400 0.038 0.000 0.801 4228 E CB -0.303 29.436 29.700 0.066 0.000 0.743 4228 E HN 0.494 nan 8.360 nan 0.000 0.453 4229 G N 0.013 108.792 108.800 -0.035 0.000 2.422 4229 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.218 4229 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.218 4229 G C 1.334 176.164 174.900 -0.116 0.000 1.146 4229 G CA 0.591 45.651 45.100 -0.066 0.000 0.769 4229 G HN 0.348 nan 8.290 nan 0.000 0.547 4230 F N 0.065 119.796 119.950 -0.365 0.000 2.074 4230 F HA 0.058 4.585 4.527 -0.001 0.000 0.293 4230 F C 2.550 178.327 175.800 -0.038 0.000 1.116 4230 F CA 1.007 58.824 58.000 -0.304 0.000 1.212 4230 F CB -0.001 38.715 39.000 -0.475 0.000 0.998 4230 F HN 0.110 nan 8.300 nan 0.000 0.471 4231 Y N 1.064 121.540 120.300 0.293 0.000 2.256 4231 Y HA -0.195 4.354 4.550 -0.001 0.000 0.288 4231 Y C 2.337 178.281 175.900 0.073 0.000 1.155 4231 Y CA 1.104 59.330 58.100 0.210 0.000 1.203 4231 Y CB -1.456 37.109 38.460 0.176 0.000 0.980 4231 Y HN 0.254 nan 8.280 nan 0.000 0.530 4232 E N -0.387 119.913 120.200 0.168 0.000 2.333 4232 E HA -0.195 4.155 4.350 -0.001 0.000 0.200 4232 E C 1.642 178.236 176.600 -0.010 0.000 1.010 4232 E CA 1.312 57.748 56.400 0.060 0.000 0.841 4232 E CB -0.174 29.538 29.700 0.020 0.000 0.757 4232 E HN 0.514 nan 8.360 nan 0.000 0.508 4233 I N -0.412 120.130 120.570 -0.047 0.000 3.673 4233 I HA 0.015 4.185 4.170 -0.001 0.000 0.281 4233 I C 0.354 176.446 176.117 -0.042 0.000 1.182 4233 I CA -0.036 61.181 61.300 -0.139 0.000 1.391 4233 I CB 0.863 38.716 38.000 -0.244 0.000 1.383 4233 I HN -0.090 nan 8.210 nan 0.000 0.456 4234 I N 4.418 124.977 120.570 -0.018 0.000 2.337 4234 I HA 0.288 4.457 4.170 -0.001 0.000 0.285 4234 I C -2.389 173.924 176.117 0.325 0.000 1.041 4234 I CA -2.271 59.134 61.300 0.174 0.000 1.199 4234 I CB 0.143 38.256 38.000 0.188 0.000 1.370 4234 I HN -0.159 nan 8.210 nan 0.000 0.470 4235 P HA 0.049 nan 4.420 nan 0.000 0.269 4235 P C 0.725 178.075 177.300 0.084 0.000 1.209 4235 P CA -0.228 62.957 63.100 0.141 0.000 0.776 4235 P CB 1.482 33.224 31.700 0.069 0.000 0.876 4236 K N 2.648 122.904 120.400 -0.239 0.000 2.152 4236 K HA -0.192 4.127 4.320 -0.001 0.000 0.206 4236 K C 2.013 178.559 176.600 -0.090 0.000 1.048 4236 K CA 1.504 57.569 56.287 -0.370 0.000 0.933 4236 K CB -0.038 31.985 32.500 -0.795 0.000 0.721 4236 K HN 0.413 nan 8.250 nan 0.000 0.447 4237 R N -0.252 120.212 120.500 -0.060 0.000 2.241 4237 R HA -0.096 4.244 4.340 -0.001 0.000 0.224 4237 R C 1.677 177.996 176.300 0.032 0.000 1.101 4237 R CA 0.787 56.876 56.100 -0.018 0.000 0.995 4237 R CB -0.160 30.127 30.300 -0.021 0.000 0.870 4237 R HN 0.077 nan 8.270 nan 0.000 0.463 4238 L N 0.021 121.308 121.223 0.106 0.000 2.286 4238 L HA 0.163 4.503 4.340 -0.001 0.000 0.203 4238 L C 1.966 179.039 176.870 0.338 0.000 1.068 4238 L CA 0.790 55.758 54.840 0.213 0.000 0.811 4238 L CB -0.337 41.855 42.059 0.221 0.000 0.989 4238 L HN 0.116 nan 8.230 nan 0.000 0.467 4239 I N -1.163 119.611 120.570 0.339 0.000 2.716 4239 I HA -0.081 4.089 4.170 -0.001 0.000 0.259 4239 I C 2.005 178.235 176.117 0.188 0.000 1.172 4239 I CA 0.839 62.358 61.300 0.365 0.000 1.478 4239 I CB -0.005 38.309 38.000 0.523 0.000 1.104 4239 I HN 0.034 nan 8.210 nan 0.000 0.439 4240 S N 0.183 115.936 115.700 0.088 0.000 2.660 4240 S HA 0.075 4.545 4.470 -0.001 0.000 0.228 4240 S C 1.780 176.340 174.600 -0.067 0.000 0.966 4240 S CA 0.512 58.726 58.200 0.024 0.000 0.940 4240 S CB -0.508 62.695 63.200 0.004 0.000 0.773 4240 S HN 0.405 nan 8.310 nan 0.000 0.535 4241 I N 0.027 120.468 120.570 -0.216 0.000 2.716 4241 I HA 0.042 4.212 4.170 -0.001 0.000 0.259 4241 I C 0.044 175.906 176.117 -0.424 0.000 1.172 4241 I CA 0.476 61.546 61.300 -0.383 0.000 1.478 4241 I CB 0.089 37.751 38.000 -0.564 0.000 1.104 4241 I HN 0.156 nan 8.210 nan 0.000 0.439 4242 F N 0.899 120.802 119.950 -0.079 0.000 2.370 4242 F HA 0.250 4.777 4.527 -0.000 0.000 0.324 4242 F C 1.313 177.078 175.800 -0.058 0.000 1.116 4242 F CA -1.115 56.828 58.000 -0.095 0.000 1.123 4242 F CB 0.376 39.290 39.000 -0.144 0.000 1.238 4242 F HN -0.129 nan 8.300 nan 0.000 0.536 4243 T N -1.861 112.787 114.554 0.156 0.000 2.788 4243 T HA 0.146 4.496 4.350 -0.001 0.000 0.280 4243 T C 1.003 175.735 174.700 0.053 0.000 0.984 4243 T CA -0.525 61.620 62.100 0.075 0.000 0.972 4243 T CB 0.854 69.744 68.868 0.038 0.000 1.039 4243 T HN 0.682 nan 8.240 nan 0.000 0.530 4244 E N 0.305 120.524 120.200 0.031 0.000 2.347 4244 E HA -0.168 4.182 4.350 -0.001 0.000 0.196 4244 E C 1.558 178.093 176.600 -0.108 0.000 1.008 4244 E CA 0.904 57.311 56.400 0.011 0.000 0.852 4244 E CB -0.317 29.431 29.700 0.079 0.000 0.783 4244 E HN 0.697 nan 8.360 nan 0.000 0.505 4245 Q N 1.154 120.910 119.800 -0.073 0.000 2.089 4245 Q HA 0.013 4.352 4.340 -0.001 0.000 0.195 4245 Q C 2.014 177.919 176.000 -0.159 0.000 0.963 4245 Q CA 1.552 57.293 55.803 -0.104 0.000 0.834 4245 Q CB -0.015 28.700 28.738 -0.039 0.000 0.906 4245 Q HN 0.412 nan 8.270 nan 0.000 0.452 4246 E N 0.143 120.280 120.200 -0.106 0.000 2.077 4246 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 4246 E C 1.786 178.176 176.600 -0.349 0.000 0.989 4246 E CA 0.866 57.181 56.400 -0.142 0.000 0.800 4246 E CB -0.144 29.583 29.700 0.046 0.000 0.746 4246 E HN 0.136 nan 8.360 nan 0.000 0.452 4247 L N 1.727 122.769 121.223 -0.302 0.000 2.012 4247 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 4247 L C 2.266 178.908 176.870 -0.379 0.000 1.073 4247 L CA 2.056 56.682 54.840 -0.357 0.000 0.748 4247 L CB -0.473 41.527 42.059 -0.098 0.000 0.891 4247 L HN 0.099 nan 8.230 nan 0.000 0.431 4248 E N -0.560 119.262 120.200 -0.631 0.000 2.058 4248 E HA -0.249 4.100 4.350 -0.001 0.000 0.194 4248 E C 2.167 178.613 176.600 -0.257 0.000 0.997 4248 E CA 1.825 57.808 56.400 -0.694 0.000 0.801 4248 E CB -0.293 28.845 29.700 -0.936 0.000 0.746 4248 E HN 0.628 nan 8.360 nan 0.000 0.450 4249 L N 0.462 121.548 121.223 -0.227 0.000 2.217 4249 L HA -0.116 4.223 4.340 -0.001 0.000 0.211 4249 L C 2.545 179.337 176.870 -0.130 0.000 1.107 4249 L CA 0.120 54.886 54.840 -0.124 0.000 0.783 4249 L CB -0.291 41.709 42.059 -0.098 0.000 0.919 4249 L HN 0.277 nan 8.230 nan 0.000 0.442 4250 L N 0.166 121.246 121.223 -0.239 0.000 2.027 4250 L HA -0.149 4.191 4.340 -0.001 0.000 0.206 4250 L C 2.287 179.107 176.870 -0.085 0.000 1.074 4250 L CA 1.730 56.428 54.840 -0.237 0.000 0.745 4250 L CB -0.234 41.497 42.059 -0.547 0.000 0.898 4250 L HN 0.055 nan 8.230 nan 0.000 0.433 4251 I N -0.722 119.823 120.570 -0.042 0.000 2.163 4251 I HA -0.236 3.934 4.170 -0.001 0.000 0.240 4251 I C 1.936 178.062 176.117 0.016 0.000 1.081 4251 I CA 1.669 63.007 61.300 0.065 0.000 1.353 4251 I CB -0.374 37.751 38.000 0.209 0.000 1.054 4251 I HN 0.469 nan 8.210 nan 0.000 0.407 4252 S N -0.266 115.421 115.700 -0.023 0.000 2.554 4252 S HA 0.482 4.952 4.470 -0.001 0.000 0.226 4252 S C 0.756 175.364 174.600 0.012 0.000 0.980 4252 S CA 0.040 58.204 58.200 -0.060 0.000 0.939 4252 S CB 0.113 63.161 63.200 -0.253 0.000 0.832 4252 S HN 0.643 nan 8.310 nan 0.000 0.486 4253 G N 1.098 109.905 108.800 0.012 0.000 2.829 4253 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.628 4253 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.628 4253 G C -0.908 174.019 174.900 0.045 0.000 1.412 4253 G CA -0.640 44.477 45.100 0.028 0.000 0.864 4253 G HN 0.486 nan 8.290 nan 0.000 0.544 4254 L N 2.846 124.096 121.223 0.045 0.000 2.290 4254 L HA 0.475 4.815 4.340 -0.001 0.000 0.284 4254 L C -0.870 176.042 176.870 0.070 0.000 1.078 4254 L CA -1.135 53.737 54.840 0.053 0.000 0.815 4254 L CB 0.989 43.076 42.059 0.046 0.000 1.162 4254 L HN 0.597 nan 8.230 nan 0.000 0.435 4255 P HA 0.175 nan 4.420 nan 0.000 0.272 4255 P C -0.909 176.444 177.300 0.088 0.000 1.230 4255 P CA -0.491 62.659 63.100 0.084 0.000 0.788 4255 P CB 0.470 32.224 31.700 0.090 0.000 0.949 4256 T N -0.498 114.106 114.554 0.084 0.000 2.771 4256 T HA 0.567 4.917 4.350 -0.001 0.000 0.281 4256 T C 0.230 175.018 174.700 0.148 0.000 0.982 4256 T CA -0.661 61.498 62.100 0.098 0.000 0.978 4256 T CB 0.312 69.223 68.868 0.073 0.000 0.930 4256 T HN 0.120 nan 8.240 nan 0.000 0.447 4257 I N 3.277 123.958 120.570 0.185 0.000 2.304 4257 I HA 0.209 4.378 4.170 -0.001 0.000 0.291 4257 I C 0.428 176.677 176.117 0.219 0.000 1.018 4257 I CA -0.309 61.155 61.300 0.274 0.000 1.260 4257 I CB 0.989 39.128 38.000 0.232 0.000 1.390 4257 I HN 0.675 nan 8.210 nan 0.000 0.475 4258 D N 6.943 127.516 120.400 0.288 0.000 2.393 4258 D HA 0.079 4.719 4.640 -0.001 0.000 0.232 4258 D C 1.187 177.591 176.300 0.173 0.000 1.192 4258 D CA -0.175 53.941 54.000 0.194 0.000 0.882 4258 D CB 0.917 41.825 40.800 0.180 0.000 1.038 4258 D HN 0.617 nan 8.370 nan 0.000 0.499 4259 I N 2.419 123.044 120.570 0.092 0.000 2.286 4259 I HA -0.165 4.004 4.170 -0.001 0.000 0.248 4259 I C 1.539 177.631 176.117 -0.042 0.000 1.115 4259 I CA 1.239 62.567 61.300 0.048 0.000 1.392 4259 I CB 0.011 38.040 38.000 0.049 0.000 1.065 4259 I HN 0.184 nan 8.210 nan 0.000 0.418 4260 D N 1.068 121.445 120.400 -0.037 0.000 2.149 4260 D HA -0.293 4.346 4.640 -0.001 0.000 0.198 4260 D C 1.860 178.153 176.300 -0.011 0.000 0.990 4260 D CA 1.823 55.782 54.000 -0.068 0.000 0.839 4260 D CB -0.234 40.546 40.800 -0.035 0.000 0.948 4260 D HN 0.586 nan 8.370 nan 0.000 0.460 4261 D N -1.078 119.378 120.400 0.093 0.000 2.117 4261 D HA -0.132 4.507 4.640 -0.001 0.000 0.198 4261 D C 2.039 178.484 176.300 0.242 0.000 0.982 4261 D CA 0.581 54.703 54.000 0.203 0.000 0.828 4261 D CB -0.282 40.709 40.800 0.319 0.000 0.967 4261 D HN 0.216 nan 8.370 nan 0.000 0.464 4262 L N 0.973 122.266 121.223 0.116 0.000 1.994 4262 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 4262 L C 2.249 179.180 176.870 0.101 0.000 1.071 4262 L CA 1.895 56.664 54.840 -0.117 0.000 0.745 4262 L CB -0.697 41.151 42.059 -0.351 0.000 0.892 4262 L HN -0.070 nan 8.230 nan 0.000 0.431 4263 K N -1.039 119.273 120.400 -0.146 0.000 2.113 4263 K HA -0.160 4.160 4.320 -0.001 0.000 0.208 4263 K C 1.760 178.286 176.600 -0.124 0.000 1.047 4263 K CA 1.741 57.728 56.287 -0.500 0.000 0.928 4263 K CB -0.138 31.818 32.500 -0.906 0.000 0.716 4263 K HN 0.373 nan 8.250 nan 0.000 0.446 4264 S N 0.592 116.269 115.700 -0.038 0.000 2.603 4264 S HA 0.073 4.543 4.470 -0.001 0.000 0.220 4264 S C 0.225 174.872 174.600 0.079 0.000 0.967 4264 S CA 0.193 58.406 58.200 0.021 0.000 0.920 4264 S CB 0.065 63.279 63.200 0.024 0.000 0.773 4264 S HN 0.318 nan 8.310 nan 0.000 0.529 4265 N N 1.528 120.305 118.700 0.127 0.000 2.588 4265 N HA 0.137 4.876 4.740 -0.001 0.000 0.298 4265 N C -1.218 174.406 175.510 0.189 0.000 1.718 4265 N CA 0.080 53.226 53.050 0.160 0.000 0.888 4265 N CB 1.478 40.098 38.487 0.222 0.000 1.389 4265 N HN 0.087 nan 8.380 nan 0.000 0.491 4266 T N 0.485 115.121 114.554 0.135 0.000 2.807 4266 T HA 0.362 4.711 4.350 -0.001 0.000 0.279 4266 T C 0.067 174.560 174.700 -0.345 0.000 0.993 4266 T CA -0.451 61.651 62.100 0.003 0.000 0.970 4266 T CB 2.265 71.262 68.868 0.214 0.000 0.950 4266 T HN 0.024 nan 8.240 nan 0.000 0.441 4267 E N 1.346 121.286 120.200 -0.432 0.000 2.227 4267 E HA 0.489 4.839 4.350 -0.001 0.000 0.268 4267 E C -1.286 174.913 176.600 -0.668 0.000 0.990 4267 E CA -0.807 55.342 56.400 -0.420 0.000 0.856 4267 E CB 1.301 30.892 29.700 -0.181 0.000 1.159 4267 E HN 0.521 nan 8.360 nan 0.000 0.401 4268 Y N 0.194 120.469 120.300 -0.041 0.000 2.361 4268 Y HA 0.273 4.822 4.550 -0.002 0.000 0.337 4268 Y C -0.588 175.262 175.900 -0.083 0.000 0.965 4268 Y CA -0.862 57.209 58.100 -0.049 0.000 1.091 4268 Y CB 1.404 39.878 38.460 0.023 0.000 1.182 4268 Y HN 0.534 nan 8.280 nan 0.000 0.450 4269 H N 3.166 122.119 119.070 -0.195 0.000 2.511 4269 H HA 0.439 4.994 4.556 -0.001 0.000 0.328 4269 H C 0.144 175.346 175.328 -0.210 0.000 1.044 4269 H CA -0.989 54.861 56.048 -0.331 0.000 1.212 4269 H CB 0.774 30.029 29.762 -0.845 0.000 1.428 4269 H HN 0.671 nan 8.280 nan 0.000 0.483 4270 K N 1.302 121.380 120.400 -0.537 0.000 4.378 4270 K HA -0.306 4.013 4.320 -0.001 0.000 0.416 4270 K C -0.347 176.111 176.600 -0.236 0.000 0.469 4270 K CA 1.806 57.831 56.287 -0.436 0.000 1.807 4270 K CB -1.391 30.797 32.500 -0.520 0.000 0.965 4270 K HN 0.360 nan 8.250 nan 0.000 0.530 4271 Y N 2.224 122.451 120.300 -0.122 0.000 2.357 4271 Y HA 0.193 4.742 4.550 -0.001 0.000 0.340 4271 Y C 1.181 177.001 175.900 -0.134 0.000 1.260 4271 Y CA -0.103 57.928 58.100 -0.116 0.000 1.425 4271 Y CB 0.537 38.941 38.460 -0.093 0.000 1.326 4271 Y HN 0.091 nan 8.280 nan 0.000 0.580 4272 Q N -0.242 119.548 119.800 -0.018 0.000 2.306 4272 Q HA 0.273 4.613 4.340 -0.001 0.000 0.269 4272 Q C 1.015 176.731 176.000 -0.473 0.000 1.053 4272 Q CA -0.205 55.503 55.803 -0.159 0.000 0.879 4272 Q CB 1.659 30.347 28.738 -0.085 0.000 1.344 4272 Q HN 0.784 nan 8.270 nan 0.000 0.464 4273 S N -0.268 115.129 115.700 -0.504 0.000 2.400 4273 S HA -0.185 4.284 4.470 -0.001 0.000 0.232 4273 S C 1.115 175.553 174.600 -0.270 0.000 1.025 4273 S CA 1.585 59.452 58.200 -0.556 0.000 0.993 4273 S CB -0.161 62.963 63.200 -0.127 0.000 0.808 4273 S HN 0.663 nan 8.310 nan 0.000 0.478 4274 N N 1.169 119.757 118.700 -0.186 0.000 2.398 4274 N HA 0.128 4.867 4.740 -0.001 0.000 0.188 4274 N C -0.618 174.792 175.510 -0.167 0.000 1.122 4274 N CA -0.043 52.926 53.050 -0.136 0.000 0.866 4274 N CB 0.059 38.489 38.487 -0.094 0.000 0.970 4274 N HN 0.298 nan 8.380 nan 0.000 0.462 4275 S N 1.352 116.931 115.700 -0.202 0.000 2.552 4275 S HA -0.059 4.410 4.470 -0.001 0.000 0.289 4275 S C 1.552 175.970 174.600 -0.304 0.000 1.304 4275 S CA -0.383 57.698 58.200 -0.198 0.000 1.063 4275 S CB 1.034 64.159 63.200 -0.125 0.000 0.848 4275 S HN 0.231 nan 8.310 nan 0.000 0.499 4276 I N 3.147 123.505 120.570 -0.353 0.000 2.194 4276 I HA -0.249 3.921 4.170 -0.001 0.000 0.246 4276 I C 2.384 178.043 176.117 -0.763 0.000 1.093 4276 I CA 1.767 62.683 61.300 -0.639 0.000 1.355 4276 I CB -0.362 37.161 38.000 -0.795 0.000 1.046 4276 I HN 0.749 nan 8.210 nan 0.000 0.413 4277 Q N -0.280 119.239 119.800 -0.468 0.000 2.472 4277 Q HA -0.055 4.285 4.340 -0.001 0.000 0.208 4277 Q C 1.962 177.874 176.000 -0.146 0.000 0.958 4277 Q CA 0.835 56.579 55.803 -0.099 0.000 0.932 4277 Q CB -0.373 28.451 28.738 0.144 0.000 1.007 4277 Q HN 0.431 nan 8.270 nan 0.000 0.508 4278 I N 1.534 121.890 120.570 -0.357 0.000 2.277 4278 I HA -0.163 4.006 4.170 -0.001 0.000 0.243 4278 I C 2.415 178.583 176.117 0.086 0.000 1.094 4278 I CA 1.029 62.203 61.300 -0.210 0.000 1.393 4278 I CB -1.052 36.741 38.000 -0.345 0.000 1.078 4278 I HN 0.226 nan 8.210 nan 0.000 0.417 4279 Q N -0.456 119.355 119.800 0.017 0.000 2.077 4279 Q HA -0.247 4.092 4.340 -0.001 0.000 0.206 4279 Q C 2.223 178.382 176.000 0.265 0.000 0.989 4279 Q CA 1.799 57.673 55.803 0.117 0.000 0.853 4279 Q CB -0.250 28.439 28.738 -0.082 0.000 0.907 4279 Q HN 0.459 nan 8.270 nan 0.000 0.418 4280 W N 0.037 121.428 121.300 0.153 0.000 2.358 4280 W HA -0.177 4.483 4.660 -0.000 0.000 0.303 4280 W C 2.089 178.733 176.519 0.208 0.000 1.208 4280 W CA 0.466 57.975 57.345 0.274 0.000 1.274 4280 W CB -1.168 28.474 29.460 0.303 0.000 1.138 4280 W HN 0.164 nan 8.180 nan 0.000 0.515 4281 F N -0.599 119.443 119.950 0.154 0.000 2.069 4281 F HA -0.226 4.300 4.527 -0.001 0.000 0.298 4281 F C 2.057 177.734 175.800 -0.204 0.000 1.113 4281 F CA 2.056 59.977 58.000 -0.133 0.000 1.214 4281 F CB -1.083 37.711 39.000 -0.344 0.000 0.978 4281 F HN -0.204 nan 8.300 nan 0.000 0.474 4282 W N 0.473 121.747 121.300 -0.044 0.000 2.374 4282 W HA -0.100 4.560 4.660 0.001 0.000 0.288 4282 W C 2.768 179.155 176.519 -0.220 0.000 1.218 4282 W CA 1.169 58.394 57.345 -0.200 0.000 1.245 4282 W CB -0.454 29.027 29.460 0.035 0.000 1.126 4282 W HN -0.039 nan 8.180 nan 0.000 0.545 4283 R N 0.779 121.358 120.500 0.131 0.000 2.075 4283 R HA -0.116 4.224 4.340 -0.001 0.000 0.232 4283 R C 2.272 178.563 176.300 -0.016 0.000 1.126 4283 R CA 1.797 57.941 56.100 0.072 0.000 0.963 4283 R CB -0.584 29.757 30.300 0.069 0.000 0.858 4283 R HN 0.085 nan 8.270 nan 0.000 0.435 4284 A N 0.990 123.768 122.820 -0.071 0.000 1.855 4284 A HA -0.145 4.174 4.320 -0.001 0.000 0.215 4284 A C 2.039 178.936 177.584 -1.147 0.000 1.191 4284 A CA 1.267 53.044 52.037 -0.434 0.000 0.613 4284 A CB -0.732 17.959 19.000 -0.514 0.000 0.829 4284 A HN 0.380 nan 8.150 nan 0.000 0.442 4285 L N -0.119 120.358 121.223 -1.242 0.000 2.042 4285 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 4285 L C 2.450 178.958 176.870 -0.604 0.000 1.076 4285 L CA 2.228 56.325 54.840 -1.239 0.000 0.749 4285 L CB -0.548 40.791 42.059 -1.200 0.000 0.893 4285 L HN 0.423 nan 8.230 nan 0.000 0.432 4286 R N -0.651 119.636 120.500 -0.356 0.000 2.148 4286 R HA -0.077 4.263 4.340 -0.001 0.000 0.227 4286 R C 1.891 178.137 176.300 -0.089 0.000 1.103 4286 R CA 1.329 57.348 56.100 -0.134 0.000 0.983 4286 R CB -0.182 30.085 30.300 -0.055 0.000 0.874 4286 R HN 0.647 nan 8.270 nan 0.000 0.451 4287 S N -0.507 115.111 115.700 -0.136 0.000 2.577 4287 S HA 0.160 4.629 4.470 -0.001 0.000 0.219 4287 S C 0.156 174.844 174.600 0.146 0.000 0.962 4287 S CA -0.691 57.509 58.200 -0.001 0.000 0.921 4287 S CB -0.094 63.126 63.200 0.032 0.000 0.789 4287 S HN -0.032 nan 8.310 nan 0.000 0.497 4288 F N 3.056 122.977 119.950 -0.049 0.000 2.382 4288 F HA 0.456 4.983 4.527 -0.000 0.000 0.331 4288 F C 0.848 176.635 175.800 -0.021 0.000 1.121 4288 F CA -2.036 55.934 58.000 -0.050 0.000 1.183 4288 F CB -0.012 38.940 39.000 -0.079 0.000 1.207 4288 F HN 0.059 nan 8.300 nan 0.000 0.555 4289 D N 0.752 121.246 120.400 0.157 0.000 2.429 4289 D HA -0.114 4.526 4.640 -0.001 0.000 0.233 4289 D C 1.248 177.606 176.300 0.097 0.000 1.202 4289 D CA 0.284 54.333 54.000 0.082 0.000 0.879 4289 D CB 0.346 41.157 40.800 0.018 0.000 1.212 4289 D HN 0.544 nan 8.370 nan 0.000 0.465 4290 Q N 1.822 121.667 119.800 0.075 0.000 2.133 4290 Q HA -0.272 4.068 4.340 -0.001 0.000 0.208 4290 Q C 1.613 177.655 176.000 0.070 0.000 0.991 4290 Q CA 2.696 58.544 55.803 0.075 0.000 0.867 4290 Q CB -0.259 28.515 28.738 0.060 0.000 0.911 4290 Q HN 0.550 nan 8.270 nan 0.000 0.417 4291 A N 0.255 123.101 122.820 0.044 0.000 1.872 4291 A HA -0.159 4.161 4.320 -0.001 0.000 0.214 4291 A C 1.914 179.505 177.584 0.011 0.000 1.187 4291 A CA 1.565 53.616 52.037 0.023 0.000 0.614 4291 A CB -0.677 18.325 19.000 0.003 0.000 0.826 4291 A HN 0.523 nan 8.150 nan 0.000 0.442 4292 D N -0.521 119.861 120.400 -0.031 0.000 2.178 4292 D HA -0.103 4.537 4.640 -0.001 0.000 0.202 4292 D C 2.140 178.481 176.300 0.068 0.000 0.974 4292 D CA 0.809 54.737 54.000 -0.121 0.000 0.841 4292 D CB -0.274 40.266 40.800 -0.433 0.000 0.953 4292 D HN 0.403 nan 8.370 nan 0.000 0.478 4293 R N 0.764 121.378 120.500 0.189 0.000 2.081 4293 R HA -0.090 4.249 4.340 -0.001 0.000 0.235 4293 R C 2.343 178.801 176.300 0.264 0.000 1.131 4293 R CA 1.191 57.460 56.100 0.282 0.000 0.960 4293 R CB -0.216 30.209 30.300 0.207 0.000 0.856 4293 R HN 0.077 nan 8.270 nan 0.000 0.436 4294 A N 1.591 124.510 122.820 0.164 0.000 1.858 4294 A HA -0.198 4.122 4.320 -0.001 0.000 0.216 4294 A C 1.945 179.598 177.584 0.115 0.000 1.190 4294 A CA 1.448 53.560 52.037 0.126 0.000 0.617 4294 A CB -0.321 18.726 19.000 0.078 0.000 0.827 4294 A HN 0.201 nan 8.150 nan 0.000 0.443 4295 K N -1.586 118.870 120.400 0.094 0.000 2.147 4295 K HA -0.132 4.188 4.320 -0.001 0.000 0.205 4295 K C 1.755 178.450 176.600 0.158 0.000 1.049 4295 K CA 1.511 57.845 56.287 0.078 0.000 0.936 4295 K CB -0.331 32.176 32.500 0.011 0.000 0.722 4295 K HN 0.562 nan 8.250 nan 0.000 0.446 4296 F N 1.672 121.685 119.950 0.106 0.000 2.113 4296 F HA -0.197 4.329 4.527 -0.001 0.000 0.297 4296 F C 1.957 177.871 175.800 0.190 0.000 1.103 4296 F CA 0.943 59.066 58.000 0.204 0.000 1.248 4296 F CB -0.415 38.735 39.000 0.250 0.000 0.999 4296 F HN -0.128 nan 8.300 nan 0.000 0.475 4297 L N 0.993 122.204 121.223 -0.021 0.000 2.013 4297 L HA -0.287 4.053 4.340 -0.001 0.000 0.212 4297 L C 2.450 179.235 176.870 -0.141 0.000 1.073 4297 L CA 2.104 56.855 54.840 -0.148 0.000 0.753 4297 L CB -1.082 41.012 42.059 0.059 0.000 0.890 4297 L HN 0.318 nan 8.230 nan 0.000 0.432 4298 Q N -1.830 117.955 119.800 -0.025 0.000 2.061 4298 Q HA -0.270 4.069 4.340 -0.001 0.000 0.204 4298 Q C 2.185 178.180 176.000 -0.008 0.000 0.984 4298 Q CA 2.189 57.992 55.803 0.000 0.000 0.846 4298 Q CB -0.425 28.337 28.738 0.041 0.000 0.902 4298 Q HN 0.560 nan 8.270 nan 0.000 0.421 4299 F N -0.147 119.716 119.950 -0.146 0.000 2.161 4299 F HA -0.174 4.353 4.527 -0.001 0.000 0.300 4299 F C 1.904 177.597 175.800 -0.178 0.000 1.089 4299 F CA 1.085 59.005 58.000 -0.132 0.000 1.282 4299 F CB -0.098 38.858 39.000 -0.073 0.000 1.010 4299 F HN -0.121 nan 8.300 nan 0.000 0.485 4300 V N -1.583 118.074 119.914 -0.428 0.000 3.590 4300 V HA -0.003 4.116 4.120 -0.001 0.000 0.265 4300 V C 1.710 177.647 176.094 -0.263 0.000 1.239 4300 V CA 1.794 63.816 62.300 -0.463 0.000 1.117 4300 V CB 0.332 31.859 31.823 -0.494 0.000 0.818 4300 V HN 0.531 nan 8.190 nan 0.000 0.451 4301 T N -2.123 112.299 114.554 -0.220 0.000 2.954 4301 T HA 0.329 4.679 4.350 -0.001 0.000 0.252 4301 T C 1.272 175.903 174.700 -0.115 0.000 0.983 4301 T CA 1.154 63.177 62.100 -0.129 0.000 0.941 4301 T CB 0.575 69.388 68.868 -0.093 0.000 1.141 4301 T HN 0.673 nan 8.240 nan 0.000 0.500 4302 G N 0.834 109.567 108.800 -0.111 0.000 2.234 4302 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.235 4302 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.235 4302 G C 0.347 175.239 174.900 -0.013 0.000 0.997 4302 G CA 0.578 45.636 45.100 -0.070 0.000 0.623 4302 G HN 0.804 nan 8.290 nan 0.000 0.514 4303 T N -0.859 113.680 114.554 -0.026 0.000 2.896 4303 T HA 0.606 4.956 4.350 -0.001 0.000 0.297 4303 T C 1.332 176.030 174.700 -0.003 0.000 1.108 4303 T CA 0.995 63.099 62.100 0.007 0.000 1.004 4303 T CB 1.514 70.343 68.868 -0.066 0.000 1.159 4303 T HN 1.020 nan 8.240 nan 0.000 0.499 4304 S N 1.599 117.325 115.700 0.043 0.000 2.593 4304 S HA 0.189 4.659 4.470 -0.001 0.000 0.217 4304 S C 0.680 175.254 174.600 -0.042 0.000 0.966 4304 S CA -0.017 58.209 58.200 0.043 0.000 0.914 4304 S CB -0.259 63.004 63.200 0.105 0.000 0.776 4304 S HN 0.608 nan 8.310 nan 0.000 0.523 4305 K N 2.267 122.506 120.400 -0.269 0.000 2.349 4305 K HA 0.306 4.626 4.320 -0.001 0.000 0.288 4305 K C -0.859 175.578 176.600 -0.272 0.000 1.058 4305 K CA -0.362 55.613 56.287 -0.520 0.000 0.953 4305 K CB 0.679 32.488 32.500 -1.152 0.000 0.997 4305 K HN 0.099 nan 8.250 nan 0.000 0.477 4306 V N 6.904 126.693 119.914 -0.209 0.000 2.583 4306 V HA 0.172 4.292 4.120 -0.001 0.000 0.287 4306 V C -1.968 173.948 176.094 -0.297 0.000 1.051 4306 V CA -1.753 60.394 62.300 -0.256 0.000 1.010 4306 V CB 0.855 32.508 31.823 -0.283 0.000 0.988 4306 V HN 0.832 nan 8.190 nan 0.000 0.478 4307 P HA 0.160 nan 4.420 nan 0.000 0.268 4307 P C 0.915 178.080 177.300 -0.225 0.000 1.205 4307 P CA -0.093 62.865 63.100 -0.238 0.000 0.771 4307 P CB 0.497 32.075 31.700 -0.204 0.000 0.858 4308 L N 1.088 122.220 121.223 -0.151 0.000 2.201 4308 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 4308 L C 1.697 178.502 176.870 -0.108 0.000 1.105 4308 L CA 1.343 56.114 54.840 -0.114 0.000 0.775 4308 L CB -0.468 41.546 42.059 -0.074 0.000 0.913 4308 L HN 0.407 nan 8.230 nan 0.000 0.440 4309 Q N 0.075 119.809 119.800 -0.110 0.000 2.320 4309 Q HA 0.236 4.576 4.340 -0.001 0.000 0.201 4309 Q C 0.704 176.640 176.000 -0.108 0.000 0.910 4309 Q CA 0.466 56.218 55.803 -0.086 0.000 0.946 4309 Q CB 0.237 28.939 28.738 -0.060 0.000 1.062 4309 Q HN 0.429 nan 8.270 nan 0.000 0.503 4310 G N -0.663 108.018 108.800 -0.198 0.000 2.760 4310 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.246 4310 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.246 4310 G C 0.111 174.858 174.900 -0.254 0.000 1.359 4310 G CA -0.319 44.607 45.100 -0.289 0.000 0.861 4310 G HN 0.201 nan 8.290 nan 0.000 0.541 4311 F N 1.055 121.021 119.950 0.027 0.000 2.546 4311 F HA 0.200 4.726 4.527 -0.001 0.000 0.298 4311 F C 2.913 178.743 175.800 0.051 0.000 1.120 4311 F CA 1.762 59.789 58.000 0.046 0.000 1.456 4311 F CB -0.429 38.619 39.000 0.080 0.000 1.088 4311 F HN 0.705 nan 8.300 nan 0.000 0.572 4312 A N -0.203 122.713 122.820 0.160 0.000 2.121 4312 A HA 0.173 4.493 4.320 -0.001 0.000 0.218 4312 A C 2.147 179.770 177.584 0.065 0.000 1.154 4312 A CA 1.265 53.365 52.037 0.105 0.000 0.679 4312 A CB -0.788 18.252 19.000 0.068 0.000 0.795 4312 A HN 0.233 nan 8.150 nan 0.000 0.458 4313 A N -1.186 121.655 122.820 0.036 0.000 2.387 4313 A HA 0.494 4.814 4.320 -0.001 0.000 0.234 4313 A C 0.417 178.004 177.584 0.005 0.000 1.253 4313 A CA -0.410 51.627 52.037 0.001 0.000 0.894 4313 A CB -0.272 18.705 19.000 -0.038 0.000 0.963 4313 A HN 0.318 nan 8.150 nan 0.000 0.508 4314 L N 2.061 123.317 121.223 0.056 0.000 2.615 4314 L HA 0.063 4.403 4.340 -0.001 0.000 0.271 4314 L C 0.203 177.090 176.870 0.029 0.000 1.183 4314 L CA 0.595 55.474 54.840 0.066 0.000 0.933 4314 L CB -0.269 41.886 42.059 0.161 0.000 1.199 4314 L HN 0.381 nan 8.230 nan 0.000 0.487 4315 E N 2.783 122.975 120.200 -0.013 0.000 2.301 4315 E HA 0.542 4.892 4.350 -0.001 0.000 0.275 4315 E C 0.204 176.781 176.600 -0.038 0.000 1.030 4315 E CA -0.207 56.173 56.400 -0.032 0.000 0.852 4315 E CB 0.956 30.618 29.700 -0.063 0.000 1.060 4315 E HN 0.752 nan 8.360 nan 0.000 0.401 4316 G N 0.810 109.587 108.800 -0.038 0.000 2.932 4316 G HA2 0.213 4.173 3.960 -0.001 0.000 0.283 4316 G HA3 0.213 4.173 3.960 -0.001 0.000 0.283 4316 G C 0.468 175.297 174.900 -0.118 0.000 1.336 4316 G CA -0.665 44.394 45.100 -0.068 0.000 1.056 4316 G HN 0.627 nan 8.290 nan 0.000 0.522 4317 M N -0.063 119.411 119.600 -0.210 0.000 2.106 4317 M HA -0.116 4.363 4.480 -0.001 0.000 0.259 4317 M C 1.268 177.483 176.300 -0.141 0.000 1.068 4317 M CA 1.593 56.746 55.300 -0.244 0.000 1.100 4317 M CB -0.078 32.248 32.600 -0.458 0.000 1.351 4317 M HN 0.465 nan 8.290 nan 0.000 0.404 4318 N N 0.077 118.732 118.700 -0.076 0.000 2.280 4318 N HA 0.228 4.967 4.740 -0.001 0.000 0.192 4318 N C 0.669 176.165 175.510 -0.023 0.000 1.109 4318 N CA 0.880 53.911 53.050 -0.032 0.000 0.855 4318 N CB 1.282 39.778 38.487 0.015 0.000 0.974 4318 N HN 0.597 nan 8.380 nan 0.000 0.482 4319 G N 0.839 109.622 108.800 -0.028 0.000 2.366 4319 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.190 4319 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.190 4319 G C -1.420 173.471 174.900 -0.015 0.000 1.299 4319 G CA -0.696 44.391 45.100 -0.022 0.000 1.056 4319 G HN 0.122 nan 8.290 nan 0.000 0.468 4320 I N 0.791 121.359 120.570 -0.005 0.000 2.533 4320 I HA 0.641 4.810 4.170 -0.001 0.000 0.284 4320 I C -0.163 175.968 176.117 0.024 0.000 1.109 4320 I CA 0.011 61.316 61.300 0.008 0.000 1.412 4320 I CB 1.192 39.198 38.000 0.009 0.000 1.396 4320 I HN 0.693 nan 8.210 nan 0.000 0.543 4321 Q N 6.571 126.394 119.800 0.039 0.000 2.295 4321 Q HA 0.418 4.757 4.340 -0.001 0.000 0.259 4321 Q C -1.227 174.824 176.000 0.086 0.000 0.966 4321 Q CA -0.544 55.295 55.803 0.061 0.000 0.763 4321 Q CB 1.291 30.079 28.738 0.083 0.000 1.283 4321 Q HN 0.697 nan 8.270 nan 0.000 0.445 4322 K N 2.360 122.811 120.400 0.085 0.000 2.319 4322 K HA 0.163 4.483 4.320 -0.001 0.000 0.265 4322 K C -0.190 176.503 176.600 0.154 0.000 1.000 4322 K CA -0.373 55.988 56.287 0.123 0.000 0.943 4322 K CB 0.350 32.900 32.500 0.084 0.000 0.950 4322 K HN 0.624 nan 8.250 nan 0.000 0.485 4323 F N 3.553 123.533 119.950 0.051 0.000 2.623 4323 F HA -0.113 4.413 4.527 -0.001 0.000 0.386 4323 F C -0.142 175.654 175.800 -0.006 0.000 1.068 4323 F CA 0.430 58.450 58.000 0.032 0.000 1.265 4323 F CB 0.123 39.149 39.000 0.044 0.000 1.026 4323 F HN 0.366 nan 8.300 nan 0.000 0.568 4324 Q N 6.791 126.244 119.800 -0.578 0.000 2.305 4324 Q HA 0.633 4.972 4.340 -0.001 0.000 0.271 4324 Q C -1.637 174.070 176.000 -0.487 0.000 1.046 4324 Q CA -0.898 54.610 55.803 -0.492 0.000 0.798 4324 Q CB 2.137 30.815 28.738 -0.100 0.000 1.286 4324 Q HN 0.661 nan 8.270 nan 0.000 0.435 4325 I N 2.940 123.251 120.570 -0.432 0.000 2.339 4325 I HA 0.388 4.557 4.170 -0.001 0.000 0.290 4325 I C -0.184 176.022 176.117 0.147 0.000 0.994 4325 I CA -0.783 60.439 61.300 -0.131 0.000 1.191 4325 I CB 1.017 38.908 38.000 -0.180 0.000 1.343 4325 I HN 0.600 nan 8.210 nan 0.000 0.458 4326 H N 5.456 124.581 119.070 0.092 0.000 2.472 4326 H HA 0.366 4.922 4.556 -0.000 0.000 0.338 4326 H C -0.337 174.999 175.328 0.012 0.000 1.133 4326 H CA -0.881 55.227 56.048 0.099 0.000 1.216 4326 H CB 2.449 32.266 29.762 0.090 0.000 1.497 4326 H HN 0.420 nan 8.280 nan 0.000 0.500 4327 R N 2.160 122.507 120.500 -0.255 0.000 2.347 4327 R HA -0.024 4.315 4.340 -0.001 0.000 0.304 4327 R C -0.810 175.379 176.300 -0.186 0.000 1.072 4327 R CA -0.319 55.405 56.100 -0.626 0.000 0.980 4327 R CB 0.316 29.919 30.300 -1.161 0.000 0.986 4327 R HN 0.591 nan 8.270 nan 0.000 0.448 4328 D N 3.107 123.457 120.400 -0.083 0.000 2.380 4328 D HA 0.060 4.699 4.640 -0.001 0.000 0.230 4328 D C -0.042 176.223 176.300 -0.058 0.000 1.154 4328 D CA -0.322 53.665 54.000 -0.022 0.000 0.859 4328 D CB 1.056 41.875 40.800 0.031 0.000 1.045 4328 D HN 0.422 nan 8.370 nan 0.000 0.495 4329 D N 2.769 123.138 120.400 -0.051 0.000 2.348 4329 D HA -0.030 4.610 4.640 -0.001 0.000 0.216 4329 D C 0.733 177.021 176.300 -0.020 0.000 0.970 4329 D CA 0.365 54.336 54.000 -0.048 0.000 0.889 4329 D CB 0.292 41.064 40.800 -0.047 0.000 0.912 4329 D HN 0.389 nan 8.370 nan 0.000 0.524 4330 R N 0.924 121.423 120.500 -0.003 0.000 2.863 4330 R HA 0.118 4.458 4.340 -0.001 0.000 0.273 4330 R C 0.917 177.224 176.300 0.011 0.000 1.057 4330 R CA -0.128 55.980 56.100 0.013 0.000 1.191 4330 R CB 0.192 30.511 30.300 0.032 0.000 1.104 4330 R HN 0.019 nan 8.270 nan 0.000 0.519 4331 S N -0.352 115.363 115.700 0.025 0.000 2.561 4331 S HA -0.121 4.349 4.470 -0.001 0.000 0.294 4331 S C 1.172 175.798 174.600 0.043 0.000 1.294 4331 S CA 0.337 58.558 58.200 0.034 0.000 1.055 4331 S CB 0.989 64.215 63.200 0.043 0.000 0.819 4331 S HN 0.700 nan 8.310 nan 0.000 0.503 4332 T N 1.534 116.119 114.554 0.052 0.000 3.155 4332 T HA -0.006 4.344 4.350 -0.001 0.000 0.264 4332 T C 0.472 175.290 174.700 0.196 0.000 1.160 4332 T CA 1.291 63.438 62.100 0.078 0.000 1.075 4332 T CB -0.772 68.160 68.868 0.106 0.000 0.921 4332 T HN 0.733 nan 8.240 nan 0.000 0.533 4333 D N 0.360 120.848 120.400 0.147 0.000 2.350 4333 D HA 0.116 4.755 4.640 -0.001 0.000 0.213 4333 D C 0.783 177.182 176.300 0.164 0.000 1.031 4333 D CA 0.049 54.140 54.000 0.151 0.000 0.861 4333 D CB 0.257 41.113 40.800 0.094 0.000 0.926 4333 D HN 0.267 nan 8.370 nan 0.000 0.520 4334 R N 0.728 121.328 120.500 0.167 0.000 2.694 4334 R HA 0.188 4.528 4.340 -0.001 0.000 0.268 4334 R C 0.135 176.587 176.300 0.253 0.000 1.061 4334 R CA -0.517 55.685 56.100 0.170 0.000 1.133 4334 R CB 0.382 30.765 30.300 0.138 0.000 1.020 4334 R HN 0.045 nan 8.270 nan 0.000 0.475 4335 L N 3.140 124.487 121.223 0.206 0.000 2.464 4335 L HA 0.189 4.528 4.340 -0.001 0.000 0.264 4335 L C -1.834 175.207 176.870 0.284 0.000 1.199 4335 L CA -1.261 53.714 54.840 0.225 0.000 0.818 4335 L CB -0.247 41.892 42.059 0.133 0.000 1.102 4335 L HN 0.420 nan 8.230 nan 0.000 0.473 4336 P HA 0.124 nan 4.420 nan 0.000 0.268 4336 P C -1.136 176.419 177.300 0.424 0.000 1.204 4336 P CA -0.207 63.115 63.100 0.371 0.000 0.768 4336 P CB 0.631 32.590 31.700 0.432 0.000 0.842 4337 S N 1.687 117.584 115.700 0.328 0.000 2.664 4337 S HA 0.906 5.375 4.470 -0.001 0.000 0.304 4337 S C -0.769 173.829 174.600 -0.004 0.000 1.099 4337 S CA -0.887 57.450 58.200 0.230 0.000 1.003 4337 S CB 1.941 65.199 63.200 0.096 0.000 1.092 4337 S HN 0.512 nan 8.310 nan 0.000 0.525 4338 A N 1.012 123.602 122.820 -0.384 0.000 2.475 4338 A HA 0.715 5.034 4.320 -0.001 0.000 0.301 4338 A C -1.132 176.022 177.584 -0.718 0.000 1.059 4338 A CA -0.812 50.867 52.037 -0.596 0.000 0.710 4338 A CB 1.053 19.349 19.000 -1.172 0.000 1.288 4338 A HN 0.935 nan 8.150 nan 0.000 0.408 4339 H N 2.595 121.584 119.070 -0.136 0.000 2.791 4339 H HA 0.167 4.723 4.556 -0.001 0.000 0.272 4339 H C 1.098 176.352 175.328 -0.122 0.000 1.188 4339 H CA 0.442 56.446 56.048 -0.075 0.000 1.436 4339 H CB 1.091 30.924 29.762 0.120 0.000 1.467 4339 H HN 0.909 nan 8.280 nan 0.000 0.500 4340 T N -1.470 112.992 114.554 -0.153 0.000 2.803 4340 T HA -0.217 4.132 4.350 -0.001 0.000 0.269 4340 T C 2.232 176.827 174.700 -0.175 0.000 1.052 4340 T CA 1.465 63.465 62.100 -0.168 0.000 1.136 4340 T CB -0.790 67.963 68.868 -0.193 0.000 0.864 4340 T HN 0.733 nan 8.240 nan 0.000 0.467 4341 C N -0.164 118.966 119.300 -0.283 0.000 2.449 4341 C HA 0.273 4.732 4.460 -0.001 0.000 0.283 4341 C C 1.681 176.276 174.990 -0.658 0.000 1.453 4341 C CA -0.618 58.106 59.018 -0.490 0.000 1.779 4341 C CB -2.146 25.210 27.740 -0.641 0.000 1.779 4341 C HN 0.443 nan 8.230 nan 0.000 0.546 4342 F N 0.644 120.553 119.950 -0.068 0.000 2.688 4342 F HA 0.358 4.885 4.527 -0.001 0.000 0.310 4342 F C 0.814 176.601 175.800 -0.022 0.000 1.098 4342 F CA -0.839 57.122 58.000 -0.064 0.000 1.228 4342 F CB -0.793 38.155 39.000 -0.086 0.000 1.042 4342 F HN 0.042 nan 8.300 nan 0.000 0.557 4343 N N 2.013 120.764 118.700 0.085 0.000 2.725 4343 N HA -0.267 4.473 4.740 -0.001 0.000 0.251 4343 N C -0.044 175.567 175.510 0.168 0.000 1.031 4343 N CA 0.674 53.791 53.050 0.111 0.000 0.720 4343 N CB -1.029 37.546 38.487 0.146 0.000 0.930 4343 N HN 0.577 nan 8.380 nan 0.000 0.543 4344 Q N 0.364 120.235 119.800 0.117 0.000 2.331 4344 Q HA 0.567 4.906 4.340 -0.001 0.000 0.267 4344 Q C -1.091 174.941 176.000 0.054 0.000 1.006 4344 Q CA -0.808 55.049 55.803 0.090 0.000 0.818 4344 Q CB 1.302 30.100 28.738 0.100 0.000 1.276 4344 Q HN 0.312 nan 8.270 nan 0.000 0.450 4345 L N 3.827 125.091 121.223 0.068 0.000 2.282 4345 L HA 0.458 4.798 4.340 -0.001 0.000 0.288 4345 L C -1.403 175.548 176.870 0.135 0.000 1.033 4345 L CA -0.136 54.778 54.840 0.123 0.000 0.807 4345 L CB 1.446 43.645 42.059 0.233 0.000 1.209 4345 L HN 0.596 nan 8.230 nan 0.000 0.423 4346 D N 5.194 125.688 120.400 0.158 0.000 2.373 4346 D HA 0.370 5.010 4.640 -0.001 0.000 0.227 4346 D C -0.934 175.485 176.300 0.199 0.000 1.091 4346 D CA 0.138 54.242 54.000 0.174 0.000 0.840 4346 D CB 1.641 42.535 40.800 0.157 0.000 1.060 4346 D HN 0.282 nan 8.370 nan 0.000 0.502 4347 L N 4.983 126.335 121.223 0.215 0.000 2.318 4347 L HA 0.459 4.799 4.340 -0.001 0.000 0.277 4347 L C -2.655 174.283 176.870 0.112 0.000 1.008 4347 L CA -1.935 53.038 54.840 0.222 0.000 0.846 4347 L CB 1.512 43.733 42.059 0.270 0.000 1.220 4347 L HN 0.069 nan 8.230 nan 0.000 0.423 4348 P HA 0.095 nan 4.420 nan 0.000 0.269 4348 P C -0.755 176.303 177.300 -0.404 0.000 1.217 4348 P CA -0.154 62.738 63.100 -0.345 0.000 0.783 4348 P CB 0.606 31.964 31.700 -0.570 0.000 0.898 4349 A N 2.465 125.184 122.820 -0.168 0.000 3.063 4349 A HA 0.168 4.488 4.320 -0.001 0.000 0.263 4349 A C -0.417 177.222 177.584 0.092 0.000 1.736 4349 A CA -0.196 51.870 52.037 0.049 0.000 1.408 4349 A CB -1.733 17.313 19.000 0.076 0.000 1.108 4349 A HN 0.359 nan 8.150 nan 0.000 0.621 4350 Y N 0.171 120.629 120.300 0.264 0.000 2.788 4350 Y HA 0.033 4.583 4.550 -0.001 0.000 0.341 4350 Y C 1.354 177.447 175.900 0.321 0.000 1.258 4350 Y CA 0.558 58.798 58.100 0.234 0.000 1.503 4350 Y CB 0.444 39.016 38.460 0.186 0.000 1.325 4350 Y HN 0.624 nan 8.280 nan 0.000 0.614 4351 E N 0.337 120.772 120.200 0.392 0.000 2.435 4351 E HA 0.034 4.384 4.350 -0.001 0.000 0.195 4351 E C -0.151 176.626 176.600 0.295 0.000 1.029 4351 E CA 0.658 57.244 56.400 0.310 0.000 0.865 4351 E CB 0.151 29.962 29.700 0.186 0.000 0.833 4351 E HN 0.507 nan 8.360 nan 0.000 0.510 4352 S N -1.785 113.935 115.700 0.033 0.000 2.547 4352 S HA 0.255 4.724 4.470 -0.001 0.000 0.270 4352 S C 0.214 174.100 174.600 -1.190 0.000 1.150 4352 S CA -0.950 56.955 58.200 -0.491 0.000 0.850 4352 S CB 0.436 63.508 63.200 -0.214 0.000 1.118 4352 S HN 0.005 nan 8.310 nan 0.000 0.461 4353 F N 2.767 121.561 119.950 -1.926 0.000 2.043 4353 F HA -0.150 4.377 4.527 -0.001 0.000 0.297 4353 F C 2.577 177.968 175.800 -0.682 0.000 1.121 4353 F CA 2.547 59.584 58.000 -1.605 0.000 1.199 4353 F CB -0.374 37.935 39.000 -1.152 0.000 0.968 4353 F HN 0.853 nan 8.300 nan 0.000 0.478 4354 E N 0.839 120.709 120.200 -0.551 0.000 2.265 4354 E HA -0.261 4.089 4.350 -0.001 0.000 0.196 4354 E C 2.086 178.444 176.600 -0.404 0.000 0.996 4354 E CA 1.379 57.501 56.400 -0.464 0.000 0.832 4354 E CB -0.799 28.805 29.700 -0.160 0.000 0.756 4354 E HN 0.569 nan 8.360 nan 0.000 0.491 4355 K N 1.186 121.349 120.400 -0.394 0.000 2.001 4355 K HA -0.091 4.229 4.320 -0.001 0.000 0.208 4355 K C 2.451 178.719 176.600 -0.553 0.000 1.048 4355 K CA 1.010 57.069 56.287 -0.378 0.000 0.932 4355 K CB -0.200 32.137 32.500 -0.272 0.000 0.715 4355 K HN 0.174 nan 8.250 nan 0.000 0.437 4356 L N 1.191 122.072 121.223 -0.570 0.000 1.989 4356 L HA -0.232 4.107 4.340 -0.001 0.000 0.211 4356 L C 2.754 179.396 176.870 -0.382 0.000 1.071 4356 L CA 1.612 56.169 54.840 -0.472 0.000 0.749 4356 L CB -0.401 41.636 42.059 -0.038 0.000 0.890 4356 L HN 0.231 nan 8.230 nan 0.000 0.431 4357 R N -1.275 118.888 120.500 -0.561 0.000 2.080 4357 R HA -0.298 4.041 4.340 -0.001 0.000 0.236 4357 R C 2.379 178.570 176.300 -0.183 0.000 1.137 4357 R CA 2.266 58.112 56.100 -0.423 0.000 0.943 4357 R CB -0.627 29.244 30.300 -0.714 0.000 0.846 4357 R HN 0.563 nan 8.270 nan 0.000 0.431 4358 H N -0.448 118.444 119.070 -0.297 0.000 2.352 4358 H HA -0.144 4.412 4.556 -0.001 0.000 0.299 4358 H C 2.086 177.298 175.328 -0.193 0.000 1.097 4358 H CA 2.398 58.320 56.048 -0.210 0.000 1.311 4358 H CB -0.016 29.621 29.762 -0.209 0.000 1.377 4358 H HN 0.158 nan 8.280 nan 0.000 0.504 4359 M N -0.375 119.160 119.600 -0.109 0.000 2.296 4359 M HA -0.072 4.408 4.480 -0.001 0.000 0.265 4359 M C 1.962 178.222 176.300 -0.068 0.000 1.064 4359 M CA 0.993 56.214 55.300 -0.132 0.000 1.109 4359 M CB -0.004 32.361 32.600 -0.391 0.000 1.396 4359 M HN 0.393 nan 8.290 nan 0.000 0.430 4360 L N -0.944 120.258 121.223 -0.036 0.000 2.095 4360 L HA -0.151 4.189 4.340 -0.001 0.000 0.204 4360 L C 2.134 178.994 176.870 -0.018 0.000 1.080 4360 L CA 1.132 56.019 54.840 0.079 0.000 0.759 4360 L CB -0.324 41.867 42.059 0.221 0.000 0.914 4360 L HN 0.348 nan 8.230 nan 0.000 0.439 4361 L N -0.699 120.467 121.223 -0.096 0.000 2.042 4361 L HA -0.295 4.045 4.340 -0.001 0.000 0.210 4361 L C 2.546 179.242 176.870 -0.289 0.000 1.076 4361 L CA 0.983 55.636 54.840 -0.311 0.000 0.749 4361 L CB -0.292 41.532 42.059 -0.391 0.000 0.893 4361 L HN 0.287 nan 8.230 nan 0.000 0.432 4362 L N -0.165 120.912 121.223 -0.244 0.000 2.017 4362 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 4362 L C 2.687 179.437 176.870 -0.199 0.000 1.073 4362 L CA 2.125 56.852 54.840 -0.189 0.000 0.745 4362 L CB -0.997 40.999 42.059 -0.106 0.000 0.894 4362 L HN 0.189 nan 8.230 nan 0.000 0.432 4363 A N -1.191 121.484 122.820 -0.242 0.000 2.019 4363 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 4363 A C 2.120 179.255 177.584 -0.749 0.000 1.164 4363 A CA 1.565 53.343 52.037 -0.432 0.000 0.644 4363 A CB -0.741 17.981 19.000 -0.464 0.000 0.805 4363 A HN 0.372 nan 8.150 nan 0.000 0.449 4364 I N -0.040 120.199 120.570 -0.553 0.000 3.176 4364 I HA -0.100 4.070 4.170 -0.001 0.000 0.275 4364 I C 1.442 177.434 176.117 -0.208 0.000 1.298 4364 I CA 0.471 61.525 61.300 -0.409 0.000 1.445 4364 I CB -0.178 37.694 38.000 -0.213 0.000 1.075 4364 I HN 0.347 nan 8.210 nan 0.000 0.482 4365 Q N 0.578 120.265 119.800 -0.188 0.000 2.500 4365 Q HA 0.401 4.741 4.340 -0.001 0.000 0.173 4365 Q C 0.747 176.720 176.000 -0.045 0.000 1.079 4365 Q CA 0.187 55.928 55.803 -0.103 0.000 0.960 4365 Q CB -0.606 28.070 28.738 -0.104 0.000 2.832 4365 Q HN 0.280 nan 8.270 nan 0.000 0.476 4366 E N 0.000 120.185 120.200 -0.026 0.000 2.725 4366 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 4366 E CA 0.000 56.402 56.400 0.003 0.000 0.976 4366 E CB 0.000 29.703 29.700 0.006 0.000 0.812 4366 E HN 0.000 nan 8.360 nan 0.000 0.440