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 1vsy_1_D DATA FIRST_RESID 4017 DATA SEQUENCE IFQVEYALEA VKRGTCAVGV KGKNCVVLGC ERRSTLKLQD TRITPSKVSK DATA SEQUENCE IDSHVVLSFS GLNADSRILI EKARVEAQSH RLTLEDPVTV EYLTRYVAGV DATA SEQUENCE QQRYTQSGGV RPFGVSTLIA GFDPRDDEPK LYQTEPSGIY SSWSAQTIGR DATA SEQUENCE NSKTVREFLE KNYDRKEPPA TVEECVKLTV RSLLEVVQTG AKNIEITVVK DATA SEQUENCE PDSDIVALSS EEINQYVTQI EQEKQEQ 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 4017 I HA 0.000 nan 4.170 nan 0.000 0.288 4017 I C 0.000 175.970 176.117 -0.244 0.000 1.063 4017 I CA 0.000 61.223 61.300 -0.128 0.000 1.566 4017 I CB 0.000 37.943 38.000 -0.096 0.000 1.214 4018 F N 1.954 121.961 119.950 0.097 0.000 2.746 4018 F HA 0.203 4.730 4.527 0.000 0.000 0.313 4018 F C 2.209 178.131 175.800 0.203 0.000 1.095 4018 F CA -0.048 58.023 58.000 0.120 0.000 1.224 4018 F CB 0.423 39.502 39.000 0.131 0.000 1.060 4018 F HN 0.451 nan 8.300 nan 0.000 0.584 4019 Q N 0.552 120.580 119.800 0.381 0.000 2.389 4019 Q HA -0.171 4.169 4.340 0.000 0.000 0.213 4019 Q C 2.327 178.526 176.000 0.331 0.000 0.989 4019 Q CA 1.315 57.362 55.803 0.407 0.000 0.891 4019 Q CB -0.286 28.553 28.738 0.167 0.000 0.923 4019 Q HN 0.328 nan 8.270 nan 0.000 0.455 4020 V N 1.742 121.781 119.914 0.208 0.000 2.231 4020 V HA -0.293 3.827 4.120 0.000 0.000 0.248 4020 V C 2.236 178.404 176.094 0.122 0.000 1.054 4020 V CA 2.241 64.625 62.300 0.139 0.000 1.015 4020 V CB -0.654 31.225 31.823 0.093 0.000 0.638 4020 V HN 0.437 nan 8.190 nan 0.000 0.444 4021 E N -0.626 119.619 120.200 0.075 0.000 2.160 4021 E HA -0.249 4.102 4.350 0.000 0.000 0.195 4021 E C 2.098 178.655 176.600 -0.072 0.000 0.991 4021 E CA 1.697 58.074 56.400 -0.038 0.000 0.810 4021 E CB -0.559 29.061 29.700 -0.134 0.000 0.742 4021 E HN 0.755 nan 8.360 nan 0.000 0.466 4022 Y N 1.622 121.959 120.300 0.062 0.000 2.145 4022 Y HA -0.154 4.396 4.550 0.000 0.000 0.286 4022 Y C 2.803 178.726 175.900 0.038 0.000 1.145 4022 Y CA 1.138 59.263 58.100 0.042 0.000 1.148 4022 Y CB -0.582 37.902 38.460 0.039 0.000 0.981 4022 Y HN 0.075 nan 8.280 nan 0.000 0.507 4023 A N -0.019 122.925 122.820 0.206 0.000 1.877 4023 A HA -0.199 4.121 4.320 0.000 0.000 0.216 4023 A C 2.092 179.736 177.584 0.099 0.000 1.186 4023 A CA 1.581 53.699 52.037 0.133 0.000 0.620 4023 A CB -1.082 17.990 19.000 0.120 0.000 0.822 4023 A HN 0.412 nan 8.150 nan 0.000 0.443 4024 L N 0.017 121.290 121.223 0.082 0.000 2.351 4024 L HA -0.152 4.188 4.340 0.000 0.000 0.220 4024 L C 1.973 178.866 176.870 0.038 0.000 1.127 4024 L CA 1.851 56.723 54.840 0.053 0.000 0.786 4024 L CB -0.724 41.358 42.059 0.038 0.000 0.914 4024 L HN 0.399 nan 8.230 nan 0.000 0.443 4025 E N -0.418 119.810 120.200 0.047 0.000 2.072 4025 E HA -0.079 4.271 4.350 0.000 0.000 0.190 4025 E C 2.179 178.804 176.600 0.041 0.000 0.982 4025 E CA 1.169 57.592 56.400 0.038 0.000 0.803 4025 E CB -0.212 29.522 29.700 0.056 0.000 0.755 4025 E HN 0.583 nan 8.360 nan 0.000 0.453 4026 A N 1.261 124.115 122.820 0.058 0.000 1.933 4026 A HA -0.142 4.179 4.320 0.000 0.000 0.218 4026 A C 2.580 180.187 177.584 0.039 0.000 1.175 4026 A CA 1.249 53.316 52.037 0.051 0.000 0.628 4026 A CB -0.752 18.287 19.000 0.065 0.000 0.814 4026 A HN 0.103 nan 8.150 nan 0.000 0.444 4027 V N 0.597 120.537 119.914 0.042 0.000 2.218 4027 V HA -0.433 3.687 4.120 0.000 0.000 0.251 4027 V C 2.485 178.577 176.094 -0.002 0.000 1.057 4027 V CA 2.687 65.002 62.300 0.025 0.000 1.022 4027 V CB -0.865 30.971 31.823 0.022 0.000 0.645 4027 V HN 0.632 nan 8.190 nan 0.000 0.451 4028 K N -0.009 120.390 120.400 -0.003 0.000 2.049 4028 K HA -0.308 4.012 4.320 0.000 0.000 0.219 4028 K C 2.216 178.804 176.600 -0.020 0.000 1.056 4028 K CA 2.292 58.571 56.287 -0.015 0.000 0.946 4028 K CB -0.566 31.930 32.500 -0.007 0.000 0.723 4028 K HN 0.505 nan 8.250 nan 0.000 0.453 4029 R N 1.773 122.268 120.500 -0.008 0.000 2.285 4029 R HA -0.033 4.307 4.340 0.000 0.000 0.213 4029 R C 0.700 176.986 176.300 -0.024 0.000 1.068 4029 R CA 1.063 57.156 56.100 -0.011 0.000 1.004 4029 R CB -0.305 29.996 30.300 0.002 0.000 0.873 4029 R HN 0.137 nan 8.270 nan 0.000 0.467 4030 G N 0.839 109.619 108.800 -0.033 0.000 2.528 4030 G HA2 0.214 4.174 3.960 0.000 0.000 0.289 4030 G HA3 0.214 4.174 3.960 0.000 0.000 0.289 4030 G C -0.660 174.180 174.900 -0.101 0.000 1.192 4030 G CA -0.059 45.007 45.100 -0.057 0.000 0.921 4030 G HN 0.337 nan 8.290 nan 0.000 0.512 4031 T N -2.265 112.207 114.554 -0.137 0.000 2.517 4031 T HA -0.124 4.226 4.350 0.000 0.000 0.229 4031 T C 0.623 175.213 174.700 -0.184 0.000 1.039 4031 T CA -0.196 61.799 62.100 -0.174 0.000 1.186 4031 T CB -0.810 67.905 68.868 -0.256 0.000 1.016 4031 T HN 0.790 nan 8.240 nan 0.000 0.475 4032 C N 4.478 123.692 119.300 -0.143 0.000 2.637 4032 C HA 0.641 5.101 4.460 0.000 0.000 0.418 4032 C C 0.720 175.617 174.990 -0.156 0.000 1.319 4032 C CA 0.138 59.075 59.018 -0.136 0.000 1.949 4032 C CB -1.757 25.917 27.740 -0.110 0.000 2.639 4032 C HN 1.238 nan 8.230 nan 0.000 0.594 4033 A N 5.535 128.261 122.820 -0.155 0.000 2.371 4033 A HA 0.795 5.115 4.320 0.000 0.000 0.311 4033 A C -0.779 176.718 177.584 -0.145 0.000 1.068 4033 A CA -0.443 51.501 52.037 -0.155 0.000 0.744 4033 A CB 1.492 20.393 19.000 -0.165 0.000 1.239 4033 A HN 1.209 nan 8.150 nan 0.000 0.435 4034 V N 0.685 120.519 119.914 -0.133 0.000 3.167 4034 V HA 0.983 5.104 4.120 0.000 0.000 0.310 4034 V C 0.126 176.150 176.094 -0.116 0.000 1.207 4034 V CA 0.362 62.580 62.300 -0.136 0.000 1.059 4034 V CB 2.628 34.373 31.823 -0.130 0.000 1.079 4034 V HN 1.785 nan 8.190 nan 0.000 0.446 4035 G N 0.653 109.383 108.800 -0.117 0.000 2.667 4035 G HA2 0.603 4.563 3.960 0.000 0.000 0.294 4035 G HA3 0.603 4.563 3.960 0.000 0.000 0.294 4035 G C -2.244 172.605 174.900 -0.086 0.000 1.467 4035 G CA -0.295 44.751 45.100 -0.090 0.000 0.852 4035 G HN 0.897 nan 8.290 nan 0.000 0.521 4036 V N 1.403 121.285 119.914 -0.054 0.000 2.624 4036 V HA 0.367 4.487 4.120 0.000 0.000 0.294 4036 V C 0.163 176.262 176.094 0.009 0.000 1.077 4036 V CA -1.018 61.260 62.300 -0.037 0.000 0.905 4036 V CB 1.594 33.436 31.823 0.032 0.000 1.025 4036 V HN 0.850 nan 8.190 nan 0.000 0.440 4037 K N 1.840 122.231 120.400 -0.015 0.000 2.230 4037 K HA 0.644 4.964 4.320 0.000 0.000 0.253 4037 K C 0.523 177.236 176.600 0.189 0.000 1.008 4037 K CA 0.596 56.913 56.287 0.050 0.000 0.910 4037 K CB 1.081 33.596 32.500 0.024 0.000 0.994 4037 K HN 0.927 nan 8.250 nan 0.000 0.495 4038 G N 0.344 109.236 108.800 0.153 0.000 2.866 4038 G HA2 0.153 4.114 3.960 0.000 0.000 0.289 4038 G HA3 0.153 4.114 3.960 0.000 0.000 0.289 4038 G C -0.335 174.650 174.900 0.141 0.000 1.396 4038 G CA -0.547 44.653 45.100 0.166 0.000 0.848 4038 G HN 0.620 nan 8.290 nan 0.000 0.515 4039 K N -0.533 119.936 120.400 0.115 0.000 2.147 4039 K HA -0.080 4.240 4.320 0.000 0.000 0.205 4039 K C 0.244 176.925 176.600 0.135 0.000 1.049 4039 K CA 1.743 58.090 56.287 0.100 0.000 0.936 4039 K CB -0.003 32.538 32.500 0.068 0.000 0.722 4039 K HN 0.546 nan 8.250 nan 0.000 0.446 4040 N N -0.218 118.585 118.700 0.171 0.000 2.884 4040 N HA 0.122 4.862 4.740 0.000 0.000 0.211 4040 N C -1.390 174.323 175.510 0.338 0.000 1.442 4040 N CA -0.483 52.726 53.050 0.264 0.000 0.757 4040 N CB -0.705 37.885 38.487 0.172 0.000 1.461 4040 N HN 0.225 nan 8.380 nan 0.000 0.557 4041 C N -2.100 117.457 119.300 0.429 0.000 2.951 4041 C HA 0.825 5.285 4.460 0.000 0.000 0.331 4041 C C -1.226 173.896 174.990 0.221 0.000 1.256 4041 C CA -0.854 58.426 59.018 0.436 0.000 1.176 4041 C CB 0.884 28.764 27.740 0.233 0.000 1.349 4041 C HN 0.246 nan 8.230 nan 0.000 0.473 4042 V N 0.150 120.164 119.914 0.167 0.000 3.087 4042 V HA 0.922 5.042 4.120 0.000 0.000 0.306 4042 V C -0.728 175.396 176.094 0.051 0.000 1.187 4042 V CA -0.557 61.765 62.300 0.037 0.000 0.999 4042 V CB 1.912 33.672 31.823 -0.104 0.000 1.049 4042 V HN 1.120 nan 8.190 nan 0.000 0.431 4043 V N 3.040 122.965 119.914 0.018 0.000 2.888 4043 V HA 0.619 4.739 4.120 0.000 0.000 0.309 4043 V C -0.541 175.541 176.094 -0.020 0.000 1.114 4043 V CA -0.511 61.792 62.300 0.005 0.000 0.940 4043 V CB 1.907 33.732 31.823 0.004 0.000 1.021 4043 V HN 0.697 nan 8.190 nan 0.000 0.426 4044 L N 1.813 123.019 121.223 -0.028 0.000 2.293 4044 L HA 1.082 5.422 4.340 0.000 0.000 0.264 4044 L C 0.434 177.269 176.870 -0.058 0.000 1.029 4044 L CA -0.716 54.098 54.840 -0.044 0.000 0.897 4044 L CB 2.120 44.159 42.059 -0.033 0.000 1.497 4044 L HN 0.897 nan 8.230 nan 0.000 0.495 4045 G N -0.410 108.347 108.800 -0.071 0.000 2.443 4045 G HA2 0.508 4.468 3.960 0.000 0.000 0.303 4045 G HA3 0.508 4.468 3.960 0.000 0.000 0.303 4045 G C -1.480 173.360 174.900 -0.100 0.000 1.613 4045 G CA -0.219 44.831 45.100 -0.083 0.000 0.879 4045 G HN 1.040 nan 8.290 nan 0.000 0.632 4046 C N 0.100 119.337 119.300 -0.105 0.000 2.885 4046 C HA 0.899 5.359 4.460 0.000 0.000 0.343 4046 C C -1.137 173.776 174.990 -0.128 0.000 1.168 4046 C CA -0.699 58.240 59.018 -0.132 0.000 1.106 4046 C CB 1.091 28.729 27.740 -0.170 0.000 1.362 4046 C HN 1.959 nan 8.230 nan 0.000 0.514 4047 E N 0.908 121.026 120.200 -0.136 0.000 1.872 4047 E HA 0.553 4.903 4.350 0.000 0.000 0.238 4047 E C -1.438 175.100 176.600 -0.104 0.000 1.762 4047 E CA -0.396 55.930 56.400 -0.124 0.000 1.053 4047 E CB 0.257 29.904 29.700 -0.088 0.000 1.469 4047 E HN 1.052 nan 8.360 nan 0.000 0.556 4048 R N -0.239 120.213 120.500 -0.080 0.000 3.288 4048 R HA 0.558 4.898 4.340 0.000 0.000 0.245 4048 R C -0.623 175.651 176.300 -0.044 0.000 1.436 4048 R CA -0.800 55.263 56.100 -0.063 0.000 1.036 4048 R CB 0.825 31.089 30.300 -0.061 0.000 1.500 4048 R HN 0.366 nan 8.270 nan 0.000 0.493 4049 R N 1.058 121.537 120.500 -0.035 0.000 2.808 4049 R HA 0.014 4.355 4.340 0.000 0.000 0.248 4049 R C 0.301 176.589 176.300 -0.021 0.000 1.539 4049 R CA 1.003 57.088 56.100 -0.026 0.000 1.071 4049 R CB -0.894 29.394 30.300 -0.021 0.000 1.172 4049 R HN 0.695 nan 8.270 nan 0.000 0.579 4050 S N 1.027 116.714 115.700 -0.022 0.000 3.420 4050 S HA -0.331 4.139 4.470 0.000 0.000 0.537 4050 S C 0.319 174.911 174.600 -0.013 0.000 0.928 4050 S CA 2.207 60.397 58.200 -0.017 0.000 3.390 4050 S CB -0.726 62.466 63.200 -0.014 0.000 2.342 4050 S HN 0.725 nan 8.310 nan 0.000 0.516 4051 T N 0.683 115.231 114.554 -0.010 0.000 3.291 4051 T HA 0.406 4.756 4.350 0.000 0.000 0.344 4051 T C -0.653 174.044 174.700 -0.006 0.000 1.293 4051 T CA -0.602 61.494 62.100 -0.007 0.000 1.108 4051 T CB 1.099 69.965 68.868 -0.005 0.000 1.231 4051 T HN 0.352 nan 8.240 nan 0.000 0.474 4052 L N 4.132 125.353 121.223 -0.005 0.000 2.650 4052 L HA 0.133 4.473 4.340 0.000 0.000 0.239 4052 L C 1.273 178.142 176.870 -0.002 0.000 1.412 4052 L CA -0.156 54.682 54.840 -0.004 0.000 1.219 4052 L CB -0.808 41.249 42.059 -0.003 0.000 1.534 4052 L HN 0.691 nan 8.230 nan 0.000 0.430 4053 K N -0.313 120.086 120.400 -0.003 0.000 10.341 4053 K HA -0.288 4.032 4.320 0.000 0.000 0.518 4053 K C 1.065 177.664 176.600 -0.001 0.000 0.380 4053 K CA 1.844 58.130 56.287 -0.002 0.000 1.946 4053 K CB -0.951 31.548 32.500 -0.001 0.000 0.755 4053 K HN 0.328 nan 8.250 nan 0.000 1.155 4054 L N 2.556 123.779 121.223 -0.000 0.000 2.667 4054 L HA 0.113 4.453 4.340 0.000 0.000 0.232 4054 L C 0.917 177.787 176.870 0.001 0.000 1.138 4054 L CA 0.562 55.402 54.840 0.000 0.000 0.921 4054 L CB -0.304 41.755 42.059 0.001 0.000 1.180 4054 L HN 0.326 nan 8.230 nan 0.000 0.487 4055 Q N -1.804 117.996 119.800 0.001 0.000 2.260 4055 Q HA 0.228 4.568 4.340 0.000 0.000 0.242 4055 Q C -0.600 175.401 176.000 0.002 0.000 0.932 4055 Q CA -0.804 54.999 55.803 0.001 0.000 0.891 4055 Q CB 1.118 29.857 28.738 0.001 0.000 1.222 4055 Q HN -0.074 nan 8.270 nan 0.000 0.453 4056 D N 1.681 122.083 120.400 0.003 0.000 2.371 4056 D HA 0.003 4.644 4.640 0.000 0.000 0.256 4056 D C 0.764 177.066 176.300 0.003 0.000 1.193 4056 D CA 0.245 54.247 54.000 0.003 0.000 0.881 4056 D CB 1.461 42.264 40.800 0.004 0.000 1.143 4056 D HN 0.728 nan 8.370 nan 0.000 0.473 4057 T N 1.269 115.824 114.554 0.002 0.000 2.851 4057 T HA -0.151 4.199 4.350 0.000 0.000 0.262 4057 T C 1.528 176.229 174.700 0.002 0.000 1.043 4057 T CA 0.348 62.449 62.100 0.001 0.000 1.140 4057 T CB 0.068 68.936 68.868 0.001 0.000 0.872 4057 T HN 0.385 nan 8.240 nan 0.000 0.446 4058 R N 2.401 122.903 120.500 0.003 0.000 2.356 4058 R HA 0.276 4.616 4.340 0.000 0.000 0.234 4058 R C 1.420 177.723 176.300 0.006 0.000 0.929 4058 R CA 0.221 56.324 56.100 0.004 0.000 1.084 4058 R CB -0.944 29.359 30.300 0.004 0.000 1.105 4058 R HN 0.736 nan 8.270 nan 0.000 0.515 4059 I N -3.863 116.711 120.570 0.007 0.000 4.338 4059 I HA 0.367 4.537 4.170 0.000 0.000 0.329 4059 I C -0.417 175.707 176.117 0.011 0.000 1.378 4059 I CA -0.412 60.893 61.300 0.008 0.000 1.170 4059 I CB 1.027 39.031 38.000 0.008 0.000 1.206 4059 I HN -0.182 nan 8.210 nan 0.000 0.432 4060 T N 0.784 115.345 114.554 0.012 0.000 3.399 4060 T HA 0.315 4.665 4.350 0.000 0.000 0.305 4060 T C -2.236 172.475 174.700 0.018 0.000 0.983 4060 T CA -0.317 61.793 62.100 0.018 0.000 0.967 4060 T CB 0.039 68.919 68.868 0.021 0.000 1.186 4060 T HN 0.066 nan 8.240 nan 0.000 0.504 4061 P HA 0.136 nan 4.420 nan 0.000 0.237 4061 P C 0.168 177.478 177.300 0.016 0.000 1.701 4061 P CA 0.166 63.272 63.100 0.009 0.000 0.955 4061 P CB -0.886 30.816 31.700 0.003 0.000 1.937 4062 S N -0.433 115.285 115.700 0.030 0.000 2.738 4062 S HA 0.162 4.632 4.470 0.000 0.000 0.227 4062 S C 1.152 175.797 174.600 0.075 0.000 1.311 4062 S CA -0.757 57.470 58.200 0.046 0.000 1.249 4062 S CB -0.041 63.189 63.200 0.049 0.000 1.030 4062 S HN 0.183 nan 8.310 nan 0.000 0.512 4063 K N 0.760 121.186 120.400 0.044 0.000 1.963 4063 K HA -0.003 4.317 4.320 0.000 0.000 0.216 4063 K C 0.517 177.165 176.600 0.080 0.000 1.045 4063 K CA 0.808 57.114 56.287 0.031 0.000 0.954 4063 K CB -0.710 31.779 32.500 -0.019 0.000 0.732 4063 K HN 0.354 nan 8.250 nan 0.000 0.442 4064 V N 2.205 122.148 119.914 0.049 0.000 2.509 4064 V HA 0.109 4.229 4.120 0.000 0.000 0.284 4064 V C -0.149 175.979 176.094 0.056 0.000 1.047 4064 V CA -0.409 61.926 62.300 0.058 0.000 0.952 4064 V CB 1.563 33.399 31.823 0.022 0.000 0.988 4064 V HN 0.263 nan 8.190 nan 0.000 0.469 4065 S N 4.063 119.796 115.700 0.055 0.000 2.449 4065 S HA 0.395 4.866 4.470 0.000 0.000 0.310 4065 S C -0.221 174.382 174.600 0.004 0.000 1.096 4065 S CA -0.705 57.508 58.200 0.022 0.000 1.095 4065 S CB 1.022 64.219 63.200 -0.005 0.000 1.007 4065 S HN 0.649 nan 8.310 nan 0.000 0.474 4066 K N 3.147 123.551 120.400 0.006 0.000 2.368 4066 K HA 0.242 4.563 4.320 0.000 0.000 0.282 4066 K C 0.386 176.985 176.600 -0.002 0.000 1.035 4066 K CA -0.200 56.092 56.287 0.008 0.000 0.973 4066 K CB 0.296 32.808 32.500 0.019 0.000 0.957 4066 K HN 0.509 nan 8.250 nan 0.000 0.474 4067 I N 1.273 121.839 120.570 -0.008 0.000 2.947 4067 I HA 0.047 4.217 4.170 0.000 0.000 0.263 4067 I C 0.846 176.973 176.117 0.017 0.000 1.130 4067 I CA 0.665 61.956 61.300 -0.015 0.000 1.448 4067 I CB -0.254 37.718 38.000 -0.046 0.000 1.222 4067 I HN 0.656 nan 8.210 nan 0.000 0.453 4068 D N -0.285 120.143 120.400 0.047 0.000 2.801 4068 D HA 0.205 4.846 4.640 0.000 0.000 0.277 4068 D C 0.982 177.382 176.300 0.166 0.000 1.125 4068 D CA 0.241 54.322 54.000 0.134 0.000 1.102 4068 D CB 1.652 42.613 40.800 0.269 0.000 1.400 4068 D HN -0.065 nan 8.370 nan 0.000 0.601 4069 S N -0.651 115.179 115.700 0.216 0.000 2.515 4069 S HA -0.142 4.328 4.470 0.000 0.000 0.231 4069 S C 1.174 175.910 174.600 0.228 0.000 0.987 4069 S CA 1.102 59.396 58.200 0.157 0.000 0.936 4069 S CB -0.436 62.811 63.200 0.079 0.000 0.766 4069 S HN 0.596 nan 8.310 nan 0.000 0.528 4070 H N -1.159 117.943 119.070 0.055 0.000 3.230 4070 H HA 0.563 5.119 4.556 0.000 0.000 0.259 4070 H C -0.526 174.861 175.328 0.099 0.000 1.195 4070 H CA -0.575 55.526 56.048 0.089 0.000 1.112 4070 H CB -0.353 29.468 29.762 0.098 0.000 1.638 4070 H HN 0.261 nan 8.280 nan 0.000 0.624 4071 V N 2.250 122.076 119.914 -0.146 0.000 2.686 4071 V HA 0.489 4.609 4.120 0.000 0.000 0.306 4071 V C -0.074 175.975 176.094 -0.076 0.000 1.065 4071 V CA -0.670 61.505 62.300 -0.208 0.000 0.894 4071 V CB 2.152 33.749 31.823 -0.377 0.000 1.004 4071 V HN 0.323 nan 8.190 nan 0.000 0.424 4072 V N 3.026 122.909 119.914 -0.052 0.000 3.155 4072 V HA 0.899 5.019 4.120 0.000 0.000 0.313 4072 V C -0.944 175.134 176.094 -0.026 0.000 1.162 4072 V CA -1.083 61.204 62.300 -0.022 0.000 1.048 4072 V CB 2.299 34.123 31.823 0.002 0.000 1.092 4072 V HN 0.858 nan 8.190 nan 0.000 0.447 4073 L N 2.002 123.222 121.223 -0.007 0.000 2.710 4073 L HA 0.689 5.029 4.340 0.000 0.000 0.262 4073 L C -0.456 176.452 176.870 0.062 0.000 0.940 4073 L CA 0.054 54.895 54.840 0.003 0.000 0.944 4073 L CB 1.856 43.894 42.059 -0.035 0.000 1.348 4073 L HN 1.166 nan 8.230 nan 0.000 0.425 4074 S N 3.075 118.823 115.700 0.081 0.000 2.704 4074 S HA 0.894 5.364 4.470 0.000 0.000 0.305 4074 S C -0.644 174.096 174.600 0.233 0.000 1.107 4074 S CA -0.625 57.670 58.200 0.159 0.000 0.993 4074 S CB 1.892 65.107 63.200 0.025 0.000 1.110 4074 S HN 0.671 nan 8.310 nan 0.000 0.534 4075 F N -1.895 118.016 119.950 -0.065 0.000 2.631 4075 F HA 0.800 5.328 4.527 0.000 0.000 0.308 4075 F C -1.085 174.680 175.800 -0.058 0.000 1.097 4075 F CA -0.981 56.979 58.000 -0.066 0.000 0.952 4075 F CB 1.380 40.339 39.000 -0.067 0.000 1.307 4075 F HN 0.489 nan 8.300 nan 0.000 0.450 4076 S N 1.537 117.182 115.700 -0.092 0.000 2.456 4076 S HA 0.915 5.385 4.470 0.000 0.000 0.316 4076 S C 0.083 174.674 174.600 -0.014 0.000 1.089 4076 S CA -0.141 57.961 58.200 -0.163 0.000 1.101 4076 S CB 0.990 64.123 63.200 -0.113 0.000 0.995 4076 S HN 1.413 nan 8.310 nan 0.000 0.468 4077 G N 1.684 110.467 108.800 -0.028 0.000 2.332 4077 G HA2 0.131 4.091 3.960 0.000 0.000 0.265 4077 G HA3 0.131 4.091 3.960 0.000 0.000 0.265 4077 G C -1.672 173.306 174.900 0.131 0.000 1.329 4077 G CA -1.193 43.959 45.100 0.087 0.000 0.949 4077 G HN 0.620 nan 8.290 nan 0.000 0.476 4078 L N 2.197 123.517 121.223 0.161 0.000 2.597 4078 L HA 0.135 4.475 4.340 0.000 0.000 0.271 4078 L C 1.768 178.787 176.870 0.249 0.000 1.157 4078 L CA -0.362 54.571 54.840 0.154 0.000 0.928 4078 L CB 0.074 42.202 42.059 0.116 0.000 1.216 4078 L HN 0.538 nan 8.230 nan 0.000 0.481 4079 N N 3.166 122.015 118.700 0.249 0.000 2.205 4079 N HA -0.178 4.563 4.740 0.000 0.000 0.186 4079 N C 1.602 177.210 175.510 0.163 0.000 1.015 4079 N CA 1.390 54.645 53.050 0.341 0.000 0.862 4079 N CB 0.140 38.760 38.487 0.220 0.000 0.986 4079 N HN 0.800 nan 8.380 nan 0.000 0.429 4080 A N 0.277 123.159 122.820 0.103 0.000 2.235 4080 A HA -0.063 4.257 4.320 0.000 0.000 0.208 4080 A C 1.514 179.123 177.584 0.040 0.000 1.172 4080 A CA 0.911 52.980 52.037 0.055 0.000 0.786 4080 A CB 0.120 19.148 19.000 0.048 0.000 0.804 4080 A HN 0.068 nan 8.150 nan 0.000 0.479 4081 D N -1.082 119.350 120.400 0.054 0.000 2.431 4081 D HA -0.029 4.611 4.640 0.000 0.000 0.227 4081 D C 2.391 178.681 176.300 -0.017 0.000 1.030 4081 D CA 1.186 55.236 54.000 0.082 0.000 0.897 4081 D CB 0.216 41.106 40.800 0.150 0.000 1.058 4081 D HN 0.447 nan 8.370 nan 0.000 0.500 4082 S N 0.754 116.338 115.700 -0.195 0.000 2.353 4082 S HA -0.178 4.292 4.470 0.000 0.000 0.222 4082 S C 1.975 176.330 174.600 -0.409 0.000 1.035 4082 S CA 0.694 58.557 58.200 -0.562 0.000 1.025 4082 S CB -0.405 61.850 63.200 -1.576 0.000 0.902 4082 S HN 0.157 nan 8.310 nan 0.000 0.440 4083 R N 0.517 120.852 120.500 -0.275 0.000 2.133 4083 R HA -0.087 4.253 4.340 0.000 0.000 0.247 4083 R C 2.012 178.234 176.300 -0.131 0.000 1.151 4083 R CA 1.683 57.678 56.100 -0.176 0.000 0.971 4083 R CB -0.800 29.448 30.300 -0.088 0.000 0.866 4083 R HN 0.423 nan 8.270 nan 0.000 0.447 4084 I N 0.469 120.985 120.570 -0.090 0.000 2.676 4084 I HA -0.170 4.000 4.170 0.000 0.000 0.259 4084 I C 2.078 178.114 176.117 -0.135 0.000 1.194 4084 I CA 1.107 62.383 61.300 -0.040 0.000 1.473 4084 I CB -0.192 37.860 38.000 0.086 0.000 1.096 4084 I HN 0.127 nan 8.210 nan 0.000 0.443 4085 L N -0.624 120.434 121.223 -0.275 0.000 2.130 4085 L HA -0.013 4.328 4.340 0.000 0.000 0.200 4085 L C 2.191 178.917 176.870 -0.241 0.000 1.075 4085 L CA 0.857 55.473 54.840 -0.372 0.000 0.768 4085 L CB -0.359 41.370 42.059 -0.551 0.000 0.933 4085 L HN 0.056 nan 8.230 nan 0.000 0.451 4086 I N 0.229 120.651 120.570 -0.246 0.000 2.953 4086 I HA -0.260 3.910 4.170 0.000 0.000 0.271 4086 I C 2.187 178.240 176.117 -0.106 0.000 1.286 4086 I CA 0.913 62.105 61.300 -0.180 0.000 1.449 4086 I CB -0.192 37.685 38.000 -0.206 0.000 1.086 4086 I HN 0.384 nan 8.210 nan 0.000 0.483 4087 E N 1.457 121.603 120.200 -0.090 0.000 2.134 4087 E HA -0.043 4.307 4.350 0.000 0.000 0.194 4087 E C 1.996 178.589 176.600 -0.011 0.000 0.937 4087 E CA 0.395 56.770 56.400 -0.042 0.000 0.874 4087 E CB 0.034 29.716 29.700 -0.029 0.000 0.853 4087 E HN 0.100 nan 8.360 nan 0.000 0.471 4088 K N 0.450 120.849 120.400 -0.002 0.000 2.228 4088 K HA -0.191 4.129 4.320 0.000 0.000 0.205 4088 K C 1.920 178.616 176.600 0.160 0.000 1.045 4088 K CA 1.167 57.500 56.287 0.077 0.000 0.931 4088 K CB -0.153 32.380 32.500 0.055 0.000 0.727 4088 K HN 0.237 nan 8.250 nan 0.000 0.458 4089 A N 1.145 124.011 122.820 0.078 0.000 1.887 4089 A HA -0.042 4.278 4.320 0.000 0.000 0.212 4089 A C 2.002 179.582 177.584 -0.006 0.000 1.198 4089 A CA 0.532 52.614 52.037 0.074 0.000 0.628 4089 A CB -0.251 18.744 19.000 -0.008 0.000 0.847 4089 A HN 0.133 nan 8.150 nan 0.000 0.449 4090 R N -0.564 119.925 120.500 -0.018 0.000 2.211 4090 R HA -0.102 4.238 4.340 0.000 0.000 0.240 4090 R C 1.816 178.110 176.300 -0.010 0.000 1.144 4090 R CA 1.374 57.465 56.100 -0.015 0.000 0.992 4090 R CB -0.332 29.958 30.300 -0.016 0.000 0.869 4090 R HN 0.403 nan 8.270 nan 0.000 0.462 4091 V N -0.198 119.709 119.914 -0.011 0.000 2.341 4091 V HA -0.131 3.989 4.120 0.000 0.000 0.240 4091 V C 1.957 178.023 176.094 -0.047 0.000 1.035 4091 V CA 1.580 63.872 62.300 -0.014 0.000 1.033 4091 V CB -0.174 31.651 31.823 0.002 0.000 0.678 4091 V HN 0.204 nan 8.190 nan 0.000 0.464 4092 E N 0.854 120.979 120.200 -0.125 0.000 2.331 4092 E HA -0.177 4.173 4.350 0.000 0.000 0.199 4092 E C 1.918 178.453 176.600 -0.108 0.000 1.008 4092 E CA 1.366 57.615 56.400 -0.251 0.000 0.843 4092 E CB -0.289 28.917 29.700 -0.824 0.000 0.761 4092 E HN 0.549 nan 8.360 nan 0.000 0.507 4093 A N 0.014 122.799 122.820 -0.058 0.000 1.930 4093 A HA -0.164 4.156 4.320 0.000 0.000 0.217 4093 A C 2.074 179.698 177.584 0.067 0.000 1.175 4093 A CA 1.317 53.364 52.037 0.017 0.000 0.627 4093 A CB -0.292 18.719 19.000 0.018 0.000 0.815 4093 A HN 0.207 nan 8.150 nan 0.000 0.443 4094 Q N -0.667 119.154 119.800 0.035 0.000 2.089 4094 Q HA -0.054 4.286 4.340 0.000 0.000 0.195 4094 Q C 2.324 178.343 176.000 0.032 0.000 0.963 4094 Q CA 1.501 57.324 55.803 0.034 0.000 0.834 4094 Q CB -0.863 27.885 28.738 0.016 0.000 0.906 4094 Q HN 0.596 nan 8.270 nan 0.000 0.452 4095 S N 0.266 115.976 115.700 0.017 0.000 2.584 4095 S HA -0.160 4.310 4.470 0.000 0.000 0.240 4095 S C 1.588 176.213 174.600 0.041 0.000 0.975 4095 S CA 0.760 58.967 58.200 0.011 0.000 0.949 4095 S CB -0.150 63.044 63.200 -0.010 0.000 0.761 4095 S HN 0.396 nan 8.310 nan 0.000 0.536 4096 H N 0.456 119.509 119.070 -0.029 0.000 2.439 4096 H HA 0.253 4.809 4.556 0.000 0.000 0.299 4096 H C 2.173 177.479 175.328 -0.037 0.000 1.033 4096 H CA 0.362 56.391 56.048 -0.032 0.000 1.348 4096 H CB 0.039 29.804 29.762 0.006 0.000 1.449 4096 H HN 0.357 nan 8.280 nan 0.000 0.544 4097 R N 0.139 120.670 120.500 0.052 0.000 2.200 4097 R HA -0.114 4.226 4.340 0.000 0.000 0.234 4097 R C 1.981 178.246 176.300 -0.057 0.000 1.127 4097 R CA 0.916 57.010 56.100 -0.009 0.000 0.989 4097 R CB 0.096 30.411 30.300 0.025 0.000 0.869 4097 R HN 0.203 nan 8.270 nan 0.000 0.459 4098 L N -0.521 120.670 121.223 -0.053 0.000 2.357 4098 L HA 0.008 4.348 4.340 0.000 0.000 0.211 4098 L C 1.889 178.717 176.870 -0.071 0.000 1.075 4098 L CA 1.594 56.405 54.840 -0.049 0.000 0.830 4098 L CB 0.216 42.259 42.059 -0.027 0.000 0.996 4098 L HN 0.092 nan 8.230 nan 0.000 0.467 4099 T N -4.302 110.191 114.554 -0.102 0.000 3.054 4099 T HA 0.222 4.572 4.350 0.000 0.000 0.255 4099 T C 0.888 175.490 174.700 -0.164 0.000 1.035 4099 T CA 0.018 62.054 62.100 -0.107 0.000 0.941 4099 T CB 0.332 69.151 68.868 -0.081 0.000 1.026 4099 T HN 0.079 nan 8.240 nan 0.000 0.533 4100 L N 0.684 121.766 121.223 -0.235 0.000 3.699 4100 L HA 0.405 4.746 4.340 0.000 0.000 0.344 4100 L C 0.344 177.081 176.870 -0.221 0.000 1.196 4100 L CA 0.403 55.070 54.840 -0.289 0.000 1.202 4100 L CB -0.263 41.454 42.059 -0.569 0.000 1.592 4100 L HN 0.574 nan 8.230 nan 0.000 0.631 4101 E N 2.496 122.596 120.200 -0.167 0.000 2.359 4101 E HA -0.255 4.095 4.350 0.000 0.000 0.157 4101 E C -1.092 175.452 176.600 -0.093 0.000 1.718 4101 E CA 0.753 57.091 56.400 -0.103 0.000 0.620 4101 E CB -0.568 29.088 29.700 -0.074 0.000 1.057 4101 E HN 0.303 nan 8.360 nan 0.000 0.322 4102 D N 2.947 123.301 120.400 -0.076 0.000 2.115 4102 D HA 0.155 4.795 4.640 0.000 0.000 0.161 4102 D C -2.758 173.611 176.300 0.116 0.000 1.181 4102 D CA -0.815 53.178 54.000 -0.011 0.000 0.868 4102 D CB 1.187 41.970 40.800 -0.027 0.000 2.440 4102 D HN 0.050 nan 8.370 nan 0.000 0.502 4103 P HA -0.022 nan 4.420 nan 0.000 0.266 4103 P C 0.195 177.640 177.300 0.243 0.000 1.186 4103 P CA -0.396 62.779 63.100 0.126 0.000 0.767 4103 P CB 0.448 32.075 31.700 -0.123 0.000 0.820 4104 V N 0.564 120.617 119.914 0.231 0.000 2.788 4104 V HA 0.190 4.311 4.120 0.000 0.000 0.307 4104 V C 0.516 176.680 176.094 0.116 0.000 1.069 4104 V CA -0.139 62.170 62.300 0.015 0.000 1.173 4104 V CB -0.335 31.499 31.823 0.019 0.000 0.925 4104 V HN 0.713 nan 8.190 nan 0.000 0.492 4105 T N 1.642 116.219 114.554 0.039 0.000 2.897 4105 T HA 0.382 4.732 4.350 0.000 0.000 0.294 4105 T C 1.002 175.693 174.700 -0.016 0.000 1.004 4105 T CA -0.051 62.085 62.100 0.059 0.000 1.106 4105 T CB 1.428 70.323 68.868 0.044 0.000 0.949 4105 T HN 0.656 nan 8.240 nan 0.000 0.520 4106 V N 2.297 122.182 119.914 -0.049 0.000 2.392 4106 V HA -0.164 3.956 4.120 0.000 0.000 0.249 4106 V C 2.753 178.644 176.094 -0.340 0.000 1.059 4106 V CA 2.365 64.574 62.300 -0.151 0.000 1.051 4106 V CB -1.104 30.673 31.823 -0.077 0.000 0.658 4106 V HN 1.092 nan 8.190 nan 0.000 0.455 4107 E N -0.457 119.538 120.200 -0.341 0.000 2.077 4107 E HA -0.280 4.070 4.350 0.000 0.000 0.193 4107 E C 2.187 178.540 176.600 -0.411 0.000 0.989 4107 E CA 1.691 57.748 56.400 -0.573 0.000 0.800 4107 E CB -0.303 29.265 29.700 -0.219 0.000 0.746 4107 E HN 0.742 nan 8.360 nan 0.000 0.452 4108 Y N 0.802 120.913 120.300 -0.315 0.000 2.220 4108 Y HA -0.148 4.402 4.550 0.000 0.000 0.291 4108 Y C 2.116 177.861 175.900 -0.258 0.000 1.129 4108 Y CA 1.265 59.200 58.100 -0.275 0.000 1.161 4108 Y CB -0.135 38.174 38.460 -0.251 0.000 0.997 4108 Y HN 0.093 nan 8.280 nan 0.000 0.522 4109 L N -0.268 120.759 121.223 -0.326 0.000 2.042 4109 L HA -0.246 4.095 4.340 0.000 0.000 0.210 4109 L C 2.022 178.688 176.870 -0.339 0.000 1.076 4109 L CA 2.479 57.120 54.840 -0.331 0.000 0.749 4109 L CB -0.935 41.006 42.059 -0.197 0.000 0.893 4109 L HN 0.347 nan 8.230 nan 0.000 0.432 4110 T N -0.547 113.770 114.554 -0.396 0.000 2.674 4110 T HA -0.255 4.095 4.350 0.000 0.000 0.265 4110 T C 1.891 176.279 174.700 -0.520 0.000 1.039 4110 T CA 1.785 63.634 62.100 -0.418 0.000 1.150 4110 T CB -0.223 68.321 68.868 -0.541 0.000 0.864 4110 T HN 0.339 nan 8.240 nan 0.000 0.427 4111 R N -0.394 119.664 120.500 -0.737 0.000 2.127 4111 R HA -0.151 4.189 4.340 0.000 0.000 0.238 4111 R C 2.255 178.288 176.300 -0.445 0.000 1.134 4111 R CA 1.378 56.998 56.100 -0.800 0.000 0.975 4111 R CB -0.435 29.419 30.300 -0.744 0.000 0.865 4111 R HN 0.534 nan 8.270 nan 0.000 0.447 4112 Y N 0.163 120.112 120.300 -0.586 0.000 2.220 4112 Y HA -0.116 4.434 4.550 0.000 0.000 0.291 4112 Y C 1.846 177.555 175.900 -0.317 0.000 1.129 4112 Y CA 1.479 59.295 58.100 -0.474 0.000 1.161 4112 Y CB -0.223 37.852 38.460 -0.642 0.000 0.997 4112 Y HN -0.131 nan 8.280 nan 0.000 0.522 4113 V N 0.757 120.416 119.914 -0.425 0.000 2.261 4113 V HA -0.325 3.795 4.120 0.000 0.000 0.246 4113 V C 2.731 178.593 176.094 -0.387 0.000 1.047 4113 V CA 2.017 64.051 62.300 -0.443 0.000 1.015 4113 V CB -1.664 29.988 31.823 -0.285 0.000 0.642 4113 V HN 0.552 nan 8.190 nan 0.000 0.446 4114 A N 0.578 123.238 122.820 -0.267 0.000 1.902 4114 A HA -0.110 4.211 4.320 0.000 0.000 0.217 4114 A C 2.378 179.893 177.584 -0.115 0.000 1.181 4114 A CA 1.923 53.882 52.037 -0.130 0.000 0.623 4114 A CB -1.269 17.739 19.000 0.013 0.000 0.818 4114 A HN 0.567 nan 8.150 nan 0.000 0.443 4115 G N -1.234 107.463 108.800 -0.171 0.000 2.498 4115 G HA2 -0.005 3.955 3.960 0.000 0.000 0.219 4115 G HA3 -0.005 3.955 3.960 0.000 0.000 0.219 4115 G C 1.397 176.217 174.900 -0.132 0.000 1.119 4115 G CA 1.070 46.101 45.100 -0.114 0.000 0.766 4115 G HN 0.334 nan 8.290 nan 0.000 0.552 4116 V N 0.232 119.989 119.914 -0.262 0.000 2.500 4116 V HA -0.101 4.019 4.120 0.000 0.000 0.243 4116 V C 2.850 178.960 176.094 0.027 0.000 1.039 4116 V CA 1.770 63.961 62.300 -0.182 0.000 1.053 4116 V CB -0.025 31.539 31.823 -0.432 0.000 0.695 4116 V HN 0.482 nan 8.190 nan 0.000 0.463 4117 Q N -0.596 119.170 119.800 -0.055 0.000 2.226 4117 Q HA -0.270 4.070 4.340 0.000 0.000 0.204 4117 Q C 2.133 178.259 176.000 0.211 0.000 0.975 4117 Q CA 1.332 57.229 55.803 0.157 0.000 0.866 4117 Q CB -0.288 28.478 28.738 0.046 0.000 0.915 4117 Q HN 0.546 nan 8.270 nan 0.000 0.440 4118 Q N 1.653 121.524 119.800 0.119 0.000 2.083 4118 Q HA -0.118 4.222 4.340 0.000 0.000 0.198 4118 Q C 1.818 177.894 176.000 0.126 0.000 0.969 4118 Q CA 1.160 57.026 55.803 0.106 0.000 0.838 4118 Q CB 0.001 28.779 28.738 0.068 0.000 0.900 4118 Q HN 0.273 nan 8.270 nan 0.000 0.436 4119 R N -0.832 119.758 120.500 0.150 0.000 2.323 4119 R HA -0.075 4.266 4.340 0.000 0.000 0.198 4119 R C 0.099 176.491 176.300 0.155 0.000 0.988 4119 R CA 0.171 56.350 56.100 0.131 0.000 1.041 4119 R CB 0.172 30.541 30.300 0.116 0.000 0.926 4119 R HN 0.116 nan 8.270 nan 0.000 0.476 4120 Y N -0.027 120.301 120.300 0.046 0.000 2.933 4120 Y HA 0.099 4.649 4.550 0.000 0.000 0.380 4120 Y C 0.963 176.855 175.900 -0.014 0.000 1.056 4120 Y CA 0.129 58.230 58.100 0.002 0.000 1.704 4120 Y CB 0.506 38.954 38.460 -0.019 0.000 1.558 4120 Y HN 0.149 nan 8.280 nan 0.000 0.501 4121 T N -5.684 108.908 114.554 0.064 0.000 3.769 4121 T HA -0.063 4.287 4.350 0.000 0.000 0.271 4121 T C 1.364 176.061 174.700 -0.005 0.000 0.931 4121 T CA 0.200 62.319 62.100 0.031 0.000 1.159 4121 T CB -0.193 68.706 68.868 0.053 0.000 1.083 4121 T HN 0.237 nan 8.240 nan 0.000 0.418 4122 Q N 2.541 122.343 119.800 0.003 0.000 2.482 4122 Q HA 0.323 4.663 4.340 0.000 0.000 0.209 4122 Q C 0.239 176.225 176.000 -0.022 0.000 0.961 4122 Q CA 0.438 56.236 55.803 -0.009 0.000 0.945 4122 Q CB -0.253 28.487 28.738 0.003 0.000 1.012 4122 Q HN 0.620 nan 8.270 nan 0.000 0.515 4123 S N -2.138 113.537 115.700 -0.042 0.000 2.569 4123 S HA 0.686 5.156 4.470 0.000 0.000 0.280 4123 S C 0.772 175.324 174.600 -0.080 0.000 1.111 4123 S CA -0.469 57.699 58.200 -0.053 0.000 0.887 4123 S CB 1.554 64.726 63.200 -0.047 0.000 1.095 4123 S HN 0.401 nan 8.310 nan 0.000 0.476 4124 G N 1.037 109.797 108.800 -0.067 0.000 2.693 4124 G HA2 0.024 3.984 3.960 0.000 0.000 0.240 4124 G HA3 0.024 3.984 3.960 0.000 0.000 0.240 4124 G C 1.158 176.017 174.900 -0.069 0.000 1.102 4124 G CA 0.777 45.833 45.100 -0.074 0.000 0.694 4124 G HN 2.606 nan 8.290 nan 0.000 0.531 4125 G N -1.584 107.172 108.800 -0.074 0.000 2.734 4125 G HA2 0.247 4.207 3.960 0.000 0.000 0.277 4125 G HA3 0.247 4.207 3.960 0.000 0.000 0.277 4125 G C -0.211 174.643 174.900 -0.076 0.000 1.099 4125 G CA 0.397 45.460 45.100 -0.060 0.000 1.218 4125 G HN 1.617 nan 8.290 nan 0.000 0.554 4126 V N 1.193 121.046 119.914 -0.103 0.000 3.074 4126 V HA 0.780 4.900 4.120 0.000 0.000 0.314 4126 V C 0.817 176.863 176.094 -0.081 0.000 1.117 4126 V CA -0.810 61.418 62.300 -0.120 0.000 1.014 4126 V CB 2.068 33.761 31.823 -0.217 0.000 1.057 4126 V HN 1.014 nan 8.190 nan 0.000 0.438 4127 R N 2.740 123.201 120.500 -0.065 0.000 2.543 4127 R HA 0.435 4.775 4.340 0.000 0.000 0.277 4127 R C -2.658 173.622 176.300 -0.035 0.000 1.074 4127 R CA -0.627 55.450 56.100 -0.039 0.000 1.076 4127 R CB 0.488 30.759 30.300 -0.048 0.000 0.993 4127 R HN 0.425 nan 8.270 nan 0.000 0.459 4128 P HA 0.202 nan 4.420 nan 0.000 0.279 4128 P C -1.038 176.209 177.300 -0.088 0.000 1.276 4128 P CA -0.538 62.565 63.100 0.005 0.000 0.801 4128 P CB 0.410 32.163 31.700 0.090 0.000 1.127 4129 F N -0.622 119.334 119.950 0.011 0.000 2.399 4129 F HA 0.398 4.925 4.527 0.000 0.000 0.342 4129 F C 1.785 177.587 175.800 0.003 0.000 1.106 4129 F CA 0.364 58.342 58.000 -0.036 0.000 1.196 4129 F CB 0.369 39.298 39.000 -0.119 0.000 1.163 4129 F HN 0.317 nan 8.300 nan 0.000 0.547 4130 G N 2.179 111.103 108.800 0.207 0.000 3.562 4130 G HA2 0.424 4.384 3.960 0.000 0.000 0.279 4130 G HA3 0.424 4.384 3.960 0.000 0.000 0.279 4130 G C -0.892 174.099 174.900 0.152 0.000 1.314 4130 G CA -0.085 45.103 45.100 0.146 0.000 1.189 4130 G HN 0.493 nan 8.290 nan 0.000 0.562 4131 V N -3.374 116.634 119.914 0.157 0.000 2.760 4131 V HA 0.781 4.902 4.120 0.000 0.000 0.309 4131 V C -0.339 175.803 176.094 0.080 0.000 1.077 4131 V CA -1.047 61.334 62.300 0.134 0.000 0.910 4131 V CB 1.636 33.519 31.823 0.101 0.000 1.008 4131 V HN -0.006 nan 8.190 nan 0.000 0.424 4132 S N 2.183 117.924 115.700 0.068 0.000 2.565 4132 S HA 0.883 5.353 4.470 0.000 0.000 0.290 4132 S C 0.110 174.737 174.600 0.045 0.000 1.150 4132 S CA -0.069 58.149 58.200 0.031 0.000 1.058 4132 S CB 1.695 64.895 63.200 -0.001 0.000 1.032 4132 S HN 1.353 nan 8.310 nan 0.000 0.510 4133 T N 0.670 115.234 114.554 0.016 0.000 2.906 4133 T HA 0.763 5.113 4.350 0.000 0.000 0.295 4133 T C -1.247 173.453 174.700 0.001 0.000 1.061 4133 T CA -0.750 61.368 62.100 0.029 0.000 1.000 4133 T CB 0.753 69.614 68.868 -0.013 0.000 1.103 4133 T HN 0.234 nan 8.240 nan 0.000 0.486 4134 L N 2.076 123.300 121.223 0.002 0.000 2.346 4134 L HA 0.705 5.046 4.340 0.000 0.000 0.276 4134 L C -0.620 176.253 176.870 0.006 0.000 1.006 4134 L CA -0.656 54.177 54.840 -0.011 0.000 0.817 4134 L CB 1.845 43.872 42.059 -0.054 0.000 1.272 4134 L HN 0.699 nan 8.230 nan 0.000 0.421 4135 I N 2.622 123.210 120.570 0.031 0.000 2.468 4135 I HA 0.722 4.892 4.170 0.000 0.000 0.285 4135 I C -0.425 175.713 176.117 0.035 0.000 1.039 4135 I CA -0.297 61.011 61.300 0.014 0.000 1.074 4135 I CB 1.816 39.808 38.000 -0.013 0.000 1.228 4135 I HN 0.701 nan 8.210 nan 0.000 0.436 4136 A N 4.382 127.197 122.820 -0.009 0.000 2.437 4136 A HA 1.062 5.382 4.320 0.000 0.000 0.292 4136 A C -0.125 177.417 177.584 -0.069 0.000 1.173 4136 A CA -0.298 51.721 52.037 -0.029 0.000 0.785 4136 A CB 1.810 20.787 19.000 -0.039 0.000 1.351 4136 A HN 1.040 nan 8.150 nan 0.000 0.431 4137 G N -1.787 106.935 108.800 -0.130 0.000 2.347 4137 G HA2 0.434 4.394 3.960 0.000 0.000 0.477 4137 G HA3 0.434 4.394 3.960 0.000 0.000 0.477 4137 G C -1.347 173.433 174.900 -0.199 0.000 1.349 4137 G CA -0.881 44.159 45.100 -0.099 0.000 1.000 4137 G HN 0.915 nan 8.290 nan 0.000 0.605 4138 F N 1.506 121.488 119.950 0.054 0.000 2.436 4138 F HA 0.412 4.939 4.527 0.000 0.000 0.340 4138 F C 0.904 176.801 175.800 0.162 0.000 1.113 4138 F CA -0.758 57.302 58.000 0.100 0.000 1.022 4138 F CB 1.334 40.396 39.000 0.104 0.000 1.128 4138 F HN 0.358 nan 8.300 nan 0.000 0.466 4139 D N 3.933 124.502 120.400 0.281 0.000 2.341 4139 D HA -0.012 4.628 4.640 0.000 0.000 0.233 4139 D C -2.213 174.259 176.300 0.286 0.000 1.270 4139 D CA -0.232 53.924 54.000 0.260 0.000 0.883 4139 D CB 0.168 41.071 40.800 0.171 0.000 1.207 4139 D HN 0.186 nan 8.370 nan 0.000 0.471 4140 P HA 0.085 nan 4.420 nan 0.000 0.276 4140 P C 0.389 177.732 177.300 0.072 0.000 1.235 4140 P CA -0.028 63.121 63.100 0.082 0.000 0.772 4140 P CB 1.419 33.124 31.700 0.008 0.000 0.871 4141 R N -0.354 120.174 120.500 0.047 0.000 1.195 4141 R HA -0.210 4.131 4.340 0.000 0.000 0.014 4141 R C 0.546 176.884 176.300 0.063 0.000 0.961 4141 R CA 2.029 58.151 56.100 0.037 0.000 1.984 4141 R CB -2.405 27.911 30.300 0.027 0.000 0.125 4141 R HN 0.604 nan 8.270 nan 0.000 0.732 4142 D N 2.116 122.568 120.400 0.087 0.000 2.749 4142 D HA -0.106 4.534 4.640 0.000 0.000 0.222 4142 D C 0.281 176.679 176.300 0.164 0.000 1.131 4142 D CA 1.416 55.485 54.000 0.114 0.000 0.845 4142 D CB 0.341 41.215 40.800 0.124 0.000 1.196 4142 D HN 0.408 nan 8.370 nan 0.000 0.503 4143 D N 2.095 122.595 120.400 0.166 0.000 2.538 4143 D HA 0.025 4.665 4.640 0.000 0.000 0.231 4143 D C -0.159 176.365 176.300 0.373 0.000 1.229 4143 D CA -0.322 53.812 54.000 0.223 0.000 0.828 4143 D CB -0.261 40.583 40.800 0.075 0.000 1.035 4143 D HN 0.413 nan 8.370 nan 0.000 0.495 4144 E N 1.873 122.253 120.200 0.300 0.000 2.089 4144 E HA 0.249 4.600 4.350 0.000 0.000 0.284 4144 E C -2.392 174.273 176.600 0.108 0.000 1.023 4144 E CA -2.206 54.318 56.400 0.205 0.000 0.819 4144 E CB 1.290 31.065 29.700 0.126 0.000 1.076 4144 E HN 0.006 nan 8.360 nan 0.000 0.396 4145 P HA -0.062 nan 4.420 nan 0.000 0.265 4145 P C -0.968 176.202 177.300 -0.217 0.000 1.187 4145 P CA 0.561 63.400 63.100 -0.435 0.000 0.766 4145 P CB 0.481 32.039 31.700 -0.236 0.000 0.820 4146 K N 2.604 122.856 120.400 -0.246 0.000 2.427 4146 K HA 0.576 4.896 4.320 0.000 0.000 0.252 4146 K C -1.030 175.566 176.600 -0.008 0.000 0.931 4146 K CA -0.710 55.559 56.287 -0.030 0.000 0.793 4146 K CB 2.435 35.011 32.500 0.126 0.000 1.211 4146 K HN 0.411 nan 8.250 nan 0.000 0.426 4147 L N 3.183 124.402 121.223 -0.007 0.000 2.436 4147 L HA 0.510 4.850 4.340 0.000 0.000 0.268 4147 L C -1.729 175.126 176.870 -0.024 0.000 0.974 4147 L CA -0.796 54.059 54.840 0.025 0.000 0.826 4147 L CB 1.345 43.386 42.059 -0.030 0.000 1.291 4147 L HN 0.586 nan 8.230 nan 0.000 0.406 4148 Y N 2.136 122.475 120.300 0.066 0.000 2.634 4148 Y HA 0.562 5.112 4.550 0.000 0.000 0.340 4148 Y C -0.576 175.382 175.900 0.095 0.000 1.058 4148 Y CA -0.618 57.565 58.100 0.138 0.000 1.081 4148 Y CB 2.024 40.549 38.460 0.109 0.000 1.295 4148 Y HN 0.422 nan 8.280 nan 0.000 0.487 4149 Q N 1.345 121.330 119.800 0.308 0.000 2.315 4149 Q HA 0.536 4.876 4.340 0.000 0.000 0.273 4149 Q C -1.691 174.414 176.000 0.174 0.000 1.053 4149 Q CA -0.712 55.169 55.803 0.129 0.000 0.817 4149 Q CB 2.449 31.146 28.738 -0.067 0.000 1.326 4149 Q HN 0.874 nan 8.270 nan 0.000 0.423 4150 T N 0.255 114.863 114.554 0.090 0.000 2.932 4150 T HA 0.765 5.115 4.350 0.000 0.000 0.289 4150 T C -0.583 174.145 174.700 0.047 0.000 1.039 4150 T CA -0.713 61.436 62.100 0.083 0.000 1.024 4150 T CB 1.909 70.790 68.868 0.022 0.000 1.090 4150 T HN 0.670 nan 8.240 nan 0.000 0.496 4151 E N 0.277 120.511 120.200 0.056 0.000 2.390 4151 E HA 0.398 4.748 4.350 0.000 0.000 0.277 4151 E C -2.717 173.920 176.600 0.061 0.000 0.939 4151 E CA -2.425 54.005 56.400 0.050 0.000 0.769 4151 E CB 1.573 31.306 29.700 0.055 0.000 1.251 4151 E HN 0.214 nan 8.360 nan 0.000 0.450 4152 P HA -0.274 nan 4.420 nan 0.000 0.219 4152 P C 1.302 178.667 177.300 0.108 0.000 1.145 4152 P CA 1.705 64.873 63.100 0.113 0.000 0.813 4152 P CB 0.179 31.950 31.700 0.117 0.000 0.771 4153 S N -1.683 114.067 115.700 0.084 0.000 2.338 4153 S HA 0.043 4.513 4.470 0.000 0.000 0.218 4153 S C 1.573 176.220 174.600 0.078 0.000 1.032 4153 S CA 1.784 60.029 58.200 0.075 0.000 0.999 4153 S CB -0.717 62.520 63.200 0.062 0.000 0.905 4153 S HN 0.285 nan 8.310 nan 0.000 0.439 4154 G N -0.305 108.542 108.800 0.078 0.000 2.456 4154 G HA2 -0.003 3.957 3.960 0.000 0.000 0.208 4154 G HA3 -0.003 3.957 3.960 0.000 0.000 0.208 4154 G C -0.386 174.586 174.900 0.121 0.000 1.004 4154 G CA -0.252 44.899 45.100 0.085 0.000 0.791 4154 G HN 0.393 nan 8.290 nan 0.000 0.537 4155 I N 2.215 122.851 120.570 0.109 0.000 2.342 4155 I HA 0.533 4.703 4.170 0.000 0.000 0.291 4155 I C 0.214 176.443 176.117 0.186 0.000 1.010 4155 I CA -1.343 60.018 61.300 0.102 0.000 1.308 4155 I CB 0.570 38.609 38.000 0.066 0.000 1.400 4155 I HN 0.266 nan 8.210 nan 0.000 0.488 4156 Y N 4.233 124.586 120.300 0.089 0.000 2.393 4156 Y HA 0.878 5.428 4.550 0.000 0.000 0.341 4156 Y C -0.430 175.586 175.900 0.194 0.000 0.988 4156 Y CA -1.305 56.884 58.100 0.148 0.000 1.078 4156 Y CB 1.288 39.823 38.460 0.125 0.000 1.203 4156 Y HN 0.532 nan 8.280 nan 0.000 0.453 4157 S N 1.236 117.131 115.700 0.326 0.000 2.549 4157 S HA 0.702 5.172 4.470 0.000 0.000 0.280 4157 S C -0.908 173.775 174.600 0.139 0.000 1.109 4157 S CA -0.876 57.421 58.200 0.161 0.000 0.905 4157 S CB 1.327 64.655 63.200 0.214 0.000 1.081 4157 S HN 1.047 nan 8.310 nan 0.000 0.477 4158 S N 0.767 116.315 115.700 -0.253 0.000 2.508 4158 S HA 0.741 5.212 4.470 0.000 0.000 0.284 4158 S C -1.401 172.973 174.600 -0.377 0.000 1.192 4158 S CA -0.650 57.229 58.200 -0.536 0.000 1.070 4158 S CB -0.073 62.690 63.200 -0.728 0.000 1.004 4158 S HN 0.758 nan 8.310 nan 0.000 0.493 4159 W N 0.869 121.985 121.300 -0.307 0.000 2.883 4159 W HA 0.513 5.173 4.660 0.000 0.000 0.335 4159 W C 1.101 177.483 176.519 -0.229 0.000 1.083 4159 W CA -0.807 56.408 57.345 -0.216 0.000 1.233 4159 W CB 1.840 31.196 29.460 -0.173 0.000 1.412 4159 W HN 0.657 nan 8.180 nan 0.000 0.490 4160 S N 1.402 117.079 115.700 -0.038 0.000 2.447 4160 S HA 0.290 4.760 4.470 0.000 0.000 0.233 4160 S C 0.375 174.745 174.600 -0.384 0.000 1.006 4160 S CA 1.319 59.414 58.200 -0.175 0.000 0.957 4160 S CB -0.080 63.027 63.200 -0.154 0.000 0.773 4160 S HN 0.531 nan 8.310 nan 0.000 0.507 4161 A N -0.011 122.696 122.820 -0.189 0.000 2.569 4161 A HA 0.675 4.995 4.320 0.000 0.000 0.292 4161 A C -1.352 176.201 177.584 -0.052 0.000 1.032 4161 A CA -0.725 51.194 52.037 -0.196 0.000 0.669 4161 A CB 1.008 19.756 19.000 -0.421 0.000 1.290 4161 A HN 0.115 nan 8.150 nan 0.000 0.422 4162 Q N -0.364 119.317 119.800 -0.199 0.000 2.756 4162 Q HA 0.750 5.090 4.340 0.000 0.000 0.295 4162 Q C -1.218 174.578 176.000 -0.341 0.000 0.903 4162 Q CA 0.346 55.891 55.803 -0.430 0.000 0.768 4162 Q CB 1.719 29.837 28.738 -1.034 0.000 1.472 4162 Q HN 1.676 nan 8.270 nan 0.000 0.416 4163 T N 1.357 115.692 114.554 -0.366 0.000 2.916 4163 T HA 0.798 5.148 4.350 0.000 0.000 0.305 4163 T C -1.886 172.655 174.700 -0.266 0.000 1.119 4163 T CA -0.366 61.579 62.100 -0.259 0.000 1.008 4163 T CB 1.123 69.886 68.868 -0.175 0.000 1.129 4163 T HN 0.593 nan 8.240 nan 0.000 0.480 4164 I N 2.576 123.023 120.570 -0.205 0.000 2.769 4164 I HA 0.872 5.042 4.170 0.000 0.000 0.298 4164 I C 0.231 176.274 176.117 -0.122 0.000 1.128 4164 I CA 0.762 61.966 61.300 -0.159 0.000 1.031 4164 I CB 1.757 39.666 38.000 -0.153 0.000 1.235 4164 I HN 1.072 nan 8.210 nan 0.000 0.423 4165 G N 5.729 114.473 108.800 -0.094 0.000 2.240 4165 G HA2 0.099 4.059 3.960 0.000 0.000 0.199 4165 G HA3 0.099 4.059 3.960 0.000 0.000 0.199 4165 G C -1.289 173.570 174.900 -0.068 0.000 1.342 4165 G CA -0.408 44.641 45.100 -0.086 0.000 1.145 4165 G HN 0.858 nan 8.290 nan 0.000 0.477 4166 R N 0.398 120.856 120.500 -0.070 0.000 2.265 4166 R HA 0.641 4.981 4.340 0.000 0.000 0.319 4166 R C 0.287 176.555 176.300 -0.053 0.000 1.006 4166 R CA 0.312 56.380 56.100 -0.054 0.000 0.880 4166 R CB 0.079 30.349 30.300 -0.050 0.000 1.077 4166 R HN 0.821 nan 8.270 nan 0.000 0.454 4167 N N 1.147 119.822 118.700 -0.040 0.000 2.725 4167 N HA -0.279 4.461 4.740 0.000 0.000 0.249 4167 N C 0.438 175.922 175.510 -0.044 0.000 1.103 4167 N CA 0.970 53.999 53.050 -0.035 0.000 0.707 4167 N CB -0.722 37.745 38.487 -0.034 0.000 1.043 4167 N HN 0.880 nan 8.380 nan 0.000 0.553 4168 S N -0.556 115.112 115.700 -0.053 0.000 2.428 4168 S HA -0.118 4.352 4.470 0.000 0.000 0.230 4168 S C 1.590 176.159 174.600 -0.051 0.000 1.014 4168 S CA 0.920 59.078 58.200 -0.069 0.000 0.957 4168 S CB 0.123 63.271 63.200 -0.087 0.000 0.784 4168 S HN 0.451 nan 8.310 nan 0.000 0.499 4169 K N 0.861 121.243 120.400 -0.030 0.000 2.148 4169 K HA -0.033 4.288 4.320 0.000 0.000 0.204 4169 K C 1.913 178.520 176.600 0.011 0.000 1.050 4169 K CA 1.524 57.805 56.287 -0.010 0.000 0.942 4169 K CB -0.430 32.068 32.500 -0.003 0.000 0.724 4169 K HN 0.431 nan 8.250 nan 0.000 0.446 4170 T N 0.409 114.969 114.554 0.009 0.000 2.833 4170 T HA -0.103 4.247 4.350 0.000 0.000 0.269 4170 T C 1.731 176.471 174.700 0.067 0.000 1.054 4170 T CA 1.409 63.530 62.100 0.035 0.000 1.135 4170 T CB -0.004 68.876 68.868 0.020 0.000 0.869 4170 T HN 0.006 nan 8.240 nan 0.000 0.466 4171 V N 0.821 120.748 119.914 0.022 0.000 2.446 4171 V HA 0.034 4.154 4.120 0.000 0.000 0.244 4171 V C 2.469 178.605 176.094 0.070 0.000 1.039 4171 V CA 1.108 63.417 62.300 0.015 0.000 1.045 4171 V CB -0.573 31.204 31.823 -0.075 0.000 0.681 4171 V HN 0.254 nan 8.190 nan 0.000 0.459 4172 R N 0.367 120.879 120.500 0.021 0.000 2.127 4172 R HA -0.243 4.097 4.340 0.000 0.000 0.238 4172 R C 2.319 178.673 176.300 0.089 0.000 1.134 4172 R CA 1.921 58.038 56.100 0.029 0.000 0.975 4172 R CB -0.088 30.202 30.300 -0.016 0.000 0.865 4172 R HN 0.639 nan 8.270 nan 0.000 0.447 4173 E N -0.063 120.193 120.200 0.094 0.000 2.046 4173 E HA -0.195 4.155 4.350 0.000 0.000 0.190 4173 E C 1.601 178.276 176.600 0.125 0.000 0.982 4173 E CA 1.417 57.873 56.400 0.093 0.000 0.800 4173 E CB -0.518 29.226 29.700 0.073 0.000 0.756 4173 E HN 0.365 nan 8.360 nan 0.000 0.449 4174 F N 0.772 120.730 119.950 0.013 0.000 2.043 4174 F HA -0.224 4.304 4.527 0.000 0.000 0.297 4174 F C 1.939 177.761 175.800 0.036 0.000 1.121 4174 F CA 1.911 59.922 58.000 0.020 0.000 1.199 4174 F CB -0.253 38.754 39.000 0.011 0.000 0.968 4174 F HN 0.070 nan 8.300 nan 0.000 0.478 4175 L N 0.233 121.738 121.223 0.471 0.000 2.012 4175 L HA -0.249 4.092 4.340 0.000 0.000 0.210 4175 L C 2.459 179.446 176.870 0.195 0.000 1.073 4175 L CA 1.841 56.895 54.840 0.358 0.000 0.748 4175 L CB -0.843 41.344 42.059 0.213 0.000 0.891 4175 L HN 0.214 nan 8.230 nan 0.000 0.431 4176 E N 0.128 120.412 120.200 0.140 0.000 2.097 4176 E HA -0.247 4.103 4.350 0.000 0.000 0.196 4176 E C 1.586 178.229 176.600 0.072 0.000 1.000 4176 E CA 1.305 57.772 56.400 0.111 0.000 0.804 4176 E CB 0.073 29.827 29.700 0.090 0.000 0.740 4176 E HN 0.378 nan 8.360 nan 0.000 0.454 4177 K N -0.002 120.403 120.400 0.008 0.000 2.437 4177 K HA 0.090 4.410 4.320 0.000 0.000 0.198 4177 K C 0.671 177.210 176.600 -0.101 0.000 1.024 4177 K CA -0.012 56.242 56.287 -0.054 0.000 1.148 4177 K CB 0.401 32.843 32.500 -0.097 0.000 0.860 4177 K HN 0.033 nan 8.250 nan 0.000 0.515 4178 N N -0.629 118.051 118.700 -0.033 0.000 2.129 4178 N HA -0.002 4.738 4.740 0.000 0.000 0.222 4178 N C -1.007 174.574 175.510 0.118 0.000 1.303 4178 N CA -0.005 53.035 53.050 -0.017 0.000 0.897 4178 N CB 0.816 39.254 38.487 -0.082 0.000 1.093 4178 N HN 0.080 nan 8.380 nan 0.000 0.501 4179 Y N 2.319 122.643 120.300 0.040 0.000 2.360 4179 Y HA 0.316 4.866 4.550 0.000 0.000 0.337 4179 Y C -1.051 174.866 175.900 0.029 0.000 1.039 4179 Y CA -0.770 57.360 58.100 0.050 0.000 1.109 4179 Y CB 0.868 39.372 38.460 0.073 0.000 1.201 4179 Y HN 0.010 nan 8.280 nan 0.000 0.458 4180 D N 3.419 123.688 120.400 -0.218 0.000 2.819 4180 D HA 0.305 4.945 4.640 0.000 0.000 0.232 4180 D C 0.014 176.194 176.300 -0.201 0.000 1.160 4180 D CA -0.890 53.054 54.000 -0.094 0.000 0.858 4180 D CB 1.581 42.343 40.800 -0.063 0.000 1.610 4180 D HN 0.583 nan 8.370 nan 0.000 0.481 4181 R N 0.773 121.272 120.500 -0.001 0.000 2.092 4181 R HA -0.097 4.243 4.340 0.000 0.000 0.231 4181 R C 1.969 178.248 176.300 -0.035 0.000 1.119 4181 R CA 1.451 57.566 56.100 0.024 0.000 0.970 4181 R CB -0.177 30.168 30.300 0.074 0.000 0.864 4181 R HN 0.590 nan 8.270 nan 0.000 0.440 4182 K N 0.571 120.949 120.400 -0.038 0.000 2.034 4182 K HA -0.145 4.175 4.320 0.000 0.000 0.214 4182 K C 0.411 176.978 176.600 -0.054 0.000 1.051 4182 K CA 1.305 57.570 56.287 -0.036 0.000 0.931 4182 K CB -0.081 32.400 32.500 -0.031 0.000 0.715 4182 K HN 0.018 nan 8.250 nan 0.000 0.446 4183 E N 1.659 121.802 120.200 -0.095 0.000 2.331 4183 E HA 0.343 4.694 4.350 0.000 0.000 0.243 4183 E C -2.623 173.863 176.600 -0.190 0.000 0.925 4183 E CA -2.316 54.022 56.400 -0.104 0.000 0.760 4183 E CB 1.977 31.630 29.700 -0.078 0.000 1.254 4183 E HN 0.142 nan 8.360 nan 0.000 0.419 4184 P HA 0.285 nan 4.420 nan 0.000 0.284 4184 P C -2.559 174.681 177.300 -0.100 0.000 1.253 4184 P CA -1.915 61.050 63.100 -0.225 0.000 0.800 4184 P CB 0.167 31.833 31.700 -0.056 0.000 0.961 4185 P HA -0.095 nan 4.420 nan 0.000 0.235 4185 P C 0.618 177.944 177.300 0.044 0.000 1.080 4185 P CA 0.820 63.925 63.100 0.010 0.000 1.096 4185 P CB -0.428 31.313 31.700 0.068 0.000 1.085 4186 A N 3.236 126.074 122.820 0.030 0.000 1.873 4186 A HA -0.063 4.257 4.320 0.000 0.000 0.215 4186 A C 1.082 178.700 177.584 0.057 0.000 1.186 4186 A CA 1.244 53.307 52.037 0.044 0.000 0.616 4186 A CB -1.065 17.952 19.000 0.028 0.000 0.823 4186 A HN 0.367 nan 8.150 nan 0.000 0.442 4187 T N 0.767 115.352 114.554 0.051 0.000 2.934 4187 T HA 0.257 4.607 4.350 0.000 0.000 0.306 4187 T C 1.620 176.365 174.700 0.076 0.000 1.042 4187 T CA 0.282 62.416 62.100 0.056 0.000 1.145 4187 T CB 1.223 70.121 68.868 0.050 0.000 0.982 4187 T HN 0.176 nan 8.240 nan 0.000 0.544 4188 V N 3.258 123.218 119.914 0.076 0.000 2.219 4188 V HA -0.240 3.880 4.120 0.000 0.000 0.248 4188 V C 2.463 178.621 176.094 0.107 0.000 1.053 4188 V CA 2.156 64.509 62.300 0.089 0.000 1.009 4188 V CB -0.858 31.011 31.823 0.076 0.000 0.636 4188 V HN 0.994 nan 8.190 nan 0.000 0.445 4189 E N 0.916 121.184 120.200 0.113 0.000 2.065 4189 E HA -0.342 4.008 4.350 0.000 0.000 0.201 4189 E C 2.257 178.972 176.600 0.190 0.000 1.016 4189 E CA 2.187 58.687 56.400 0.167 0.000 0.818 4189 E CB -0.199 29.572 29.700 0.117 0.000 0.749 4189 E HN 0.900 nan 8.360 nan 0.000 0.453 4190 E N -0.154 120.121 120.200 0.125 0.000 2.274 4190 E HA -0.158 4.192 4.350 0.000 0.000 0.194 4190 E C 2.208 178.884 176.600 0.127 0.000 0.996 4190 E CA 1.008 57.478 56.400 0.117 0.000 0.840 4190 E CB -0.534 29.210 29.700 0.072 0.000 0.772 4190 E HN 0.277 nan 8.360 nan 0.000 0.491 4191 C N 0.332 119.704 119.300 0.120 0.000 2.432 4191 C HA 0.003 4.463 4.460 0.000 0.000 0.280 4191 C C 2.454 177.508 174.990 0.107 0.000 1.353 4191 C CA 0.622 59.711 59.018 0.117 0.000 1.766 4191 C CB -0.733 27.076 27.740 0.114 0.000 1.924 4191 C HN 0.450 nan 8.230 nan 0.000 0.509 4192 V N 0.733 120.712 119.914 0.107 0.000 2.407 4192 V HA -0.131 3.989 4.120 0.000 0.000 0.245 4192 V C 2.512 178.678 176.094 0.120 0.000 1.041 4192 V CA 1.972 64.300 62.300 0.047 0.000 1.040 4192 V CB -0.796 30.975 31.823 -0.087 0.000 0.671 4192 V HN 0.557 nan 8.190 nan 0.000 0.455 4193 K N -0.067 120.492 120.400 0.266 0.000 2.127 4193 K HA -0.301 4.019 4.320 0.000 0.000 0.212 4193 K C 2.062 178.761 176.600 0.166 0.000 1.050 4193 K CA 2.259 58.706 56.287 0.268 0.000 0.929 4193 K CB -0.256 32.352 32.500 0.180 0.000 0.715 4193 K HN 0.364 nan 8.250 nan 0.000 0.457 4194 L N 0.525 121.831 121.223 0.137 0.000 2.095 4194 L HA -0.043 4.297 4.340 0.000 0.000 0.204 4194 L C 1.870 178.781 176.870 0.069 0.000 1.080 4194 L CA 2.022 56.943 54.840 0.134 0.000 0.759 4194 L CB -0.839 41.320 42.059 0.167 0.000 0.914 4194 L HN 0.186 nan 8.230 nan 0.000 0.439 4195 T N -0.968 113.610 114.554 0.039 0.000 2.881 4195 T HA -0.120 4.230 4.350 0.000 0.000 0.270 4195 T C 1.959 176.615 174.700 -0.072 0.000 1.068 4195 T CA 1.428 63.513 62.100 -0.025 0.000 1.131 4195 T CB -0.625 68.225 68.868 -0.030 0.000 0.871 4195 T HN 0.228 nan 8.240 nan 0.000 0.479 4196 V N 1.774 121.663 119.914 -0.041 0.000 2.229 4196 V HA -0.179 3.941 4.120 0.000 0.000 0.243 4196 V C 2.599 178.641 176.094 -0.087 0.000 1.042 4196 V CA 1.552 63.823 62.300 -0.049 0.000 1.000 4196 V CB -0.733 31.100 31.823 0.017 0.000 0.637 4196 V HN 0.315 nan 8.190 nan 0.000 0.446 4197 R N 1.464 121.929 120.500 -0.057 0.000 2.165 4197 R HA -0.221 4.119 4.340 0.000 0.000 0.254 4197 R C 2.439 178.509 176.300 -0.382 0.000 1.153 4197 R CA 2.030 58.066 56.100 -0.107 0.000 0.971 4197 R CB -0.760 29.564 30.300 0.039 0.000 0.878 4197 R HN 0.734 nan 8.270 nan 0.000 0.449 4198 S N -0.195 115.194 115.700 -0.518 0.000 2.522 4198 S HA 0.019 4.489 4.470 0.000 0.000 0.227 4198 S C 1.756 176.097 174.600 -0.432 0.000 0.986 4198 S CA 0.605 58.323 58.200 -0.803 0.000 0.929 4198 S CB 0.052 62.900 63.200 -0.586 0.000 0.769 4198 S HN 0.246 nan 8.310 nan 0.000 0.529 4199 L N 0.018 121.082 121.223 -0.266 0.000 2.515 4199 L HA 0.357 4.697 4.340 0.000 0.000 0.223 4199 L C 2.028 178.815 176.870 -0.138 0.000 1.079 4199 L CA 0.143 54.877 54.840 -0.177 0.000 0.857 4199 L CB -0.212 41.765 42.059 -0.136 0.000 1.050 4199 L HN 0.255 nan 8.230 nan 0.000 0.476 4200 L N 0.032 121.176 121.223 -0.132 0.000 2.261 4200 L HA -0.193 4.147 4.340 0.000 0.000 0.216 4200 L C 2.457 179.284 176.870 -0.071 0.000 1.114 4200 L CA 0.877 55.668 54.840 -0.082 0.000 0.777 4200 L CB -0.352 41.673 42.059 -0.056 0.000 0.910 4200 L HN 0.320 nan 8.230 nan 0.000 0.440 4201 E N -0.416 119.721 120.200 -0.105 0.000 2.106 4201 E HA -0.125 4.225 4.350 0.000 0.000 0.192 4201 E C 2.100 178.672 176.600 -0.047 0.000 0.984 4201 E CA 1.151 57.514 56.400 -0.061 0.000 0.806 4201 E CB 0.004 29.659 29.700 -0.075 0.000 0.750 4201 E HN 0.362 nan 8.360 nan 0.000 0.458 4202 V N 1.070 120.943 119.914 -0.067 0.000 3.645 4202 V HA -0.028 4.092 4.120 0.000 0.000 0.275 4202 V C 1.629 177.692 176.094 -0.052 0.000 1.356 4202 V CA 0.387 62.654 62.300 -0.055 0.000 1.051 4202 V CB 0.314 32.098 31.823 -0.065 0.000 0.828 4202 V HN 0.008 nan 8.190 nan 0.000 0.441 4203 V N -0.353 119.527 119.914 -0.056 0.000 4.156 4203 V HA -0.051 4.070 4.120 0.000 0.000 0.266 4203 V C 0.818 176.890 176.094 -0.037 0.000 0.846 4203 V CA 1.118 63.388 62.300 -0.050 0.000 0.872 4203 V CB -0.293 31.501 31.823 -0.049 0.000 1.145 4203 V HN 0.467 nan 8.190 nan 0.000 0.401 4204 Q N -2.226 117.556 119.800 -0.031 0.000 1.748 4204 Q HA 0.204 4.544 4.340 0.000 0.000 0.172 4204 Q C 0.254 176.242 176.000 -0.019 0.000 0.810 4204 Q CA 0.692 56.481 55.803 -0.023 0.000 0.831 4204 Q CB 0.831 29.554 28.738 -0.024 0.000 1.249 4204 Q HN 1.038 nan 8.270 nan 0.000 0.375 4205 T N -2.834 111.708 114.554 -0.019 0.000 3.847 4205 T HA 0.340 4.690 4.350 0.000 0.000 0.323 4205 T C 0.283 174.975 174.700 -0.013 0.000 0.888 4205 T CA 1.160 63.252 62.100 -0.014 0.000 1.157 4205 T CB 0.276 69.136 68.868 -0.014 0.000 1.070 4205 T HN 0.537 nan 8.240 nan 0.000 0.538 4206 G N 0.778 109.567 108.800 -0.018 0.000 2.225 4206 G HA2 0.360 4.320 3.960 0.000 0.000 0.203 4206 G HA3 0.360 4.320 3.960 0.000 0.000 0.203 4206 G C 0.968 175.857 174.900 -0.018 0.000 1.335 4206 G CA 0.606 45.697 45.100 -0.016 0.000 1.183 4206 G HN 1.052 nan 8.290 nan 0.000 0.488 4207 A N 0.134 122.948 122.820 -0.010 0.000 1.997 4207 A HA -0.052 4.268 4.320 0.000 0.000 0.221 4207 A C 2.011 179.585 177.584 -0.016 0.000 1.172 4207 A CA 2.562 54.592 52.037 -0.010 0.000 0.645 4207 A CB -0.611 18.391 19.000 0.004 0.000 0.813 4207 A HN 0.661 nan 8.150 nan 0.000 0.454 4208 K N -0.649 119.743 120.400 -0.013 0.000 2.555 4208 K HA -0.013 4.308 4.320 0.000 0.000 0.193 4208 K C 1.237 177.824 176.600 -0.022 0.000 1.032 4208 K CA 0.700 56.978 56.287 -0.015 0.000 1.004 4208 K CB -0.053 32.440 32.500 -0.010 0.000 0.804 4208 K HN 0.387 nan 8.250 nan 0.000 0.496 4209 N N 0.142 118.825 118.700 -0.028 0.000 2.511 4209 N HA 0.201 4.941 4.740 0.000 0.000 0.190 4209 N C -0.145 175.337 175.510 -0.047 0.000 1.037 4209 N CA 0.592 53.620 53.050 -0.036 0.000 0.895 4209 N CB 0.773 39.237 38.487 -0.038 0.000 1.149 4209 N HN -0.042 nan 8.380 nan 0.000 0.437 4210 I N 0.924 121.462 120.570 -0.052 0.000 2.582 4210 I HA 0.264 4.434 4.170 0.000 0.000 0.292 4210 I C -0.564 175.516 176.117 -0.063 0.000 1.066 4210 I CA -0.700 60.561 61.300 -0.064 0.000 1.053 4210 I CB 2.426 40.379 38.000 -0.079 0.000 1.241 4210 I HN -0.073 nan 8.210 nan 0.000 0.421 4211 E N 5.462 125.625 120.200 -0.063 0.000 2.396 4211 E HA 0.709 5.059 4.350 0.000 0.000 0.251 4211 E C -0.825 175.733 176.600 -0.069 0.000 0.949 4211 E CA -0.770 55.593 56.400 -0.062 0.000 0.834 4211 E CB 3.084 32.756 29.700 -0.047 0.000 1.309 4211 E HN 0.590 nan 8.360 nan 0.000 0.405 4212 I N -2.989 117.539 120.570 -0.070 0.000 3.006 4212 I HA 0.579 4.749 4.170 0.000 0.000 0.306 4212 I C -0.878 175.208 176.117 -0.052 0.000 1.250 4212 I CA -0.577 60.682 61.300 -0.069 0.000 0.996 4212 I CB 2.539 40.482 38.000 -0.096 0.000 1.261 4212 I HN 0.218 nan 8.210 nan 0.000 0.442 4213 T N 2.710 117.243 114.554 -0.036 0.000 2.930 4213 T HA 0.760 5.110 4.350 0.000 0.000 0.290 4213 T C -0.972 173.724 174.700 -0.006 0.000 1.052 4213 T CA -0.700 61.390 62.100 -0.016 0.000 1.017 4213 T CB 2.275 71.143 68.868 -0.001 0.000 1.137 4213 T HN 0.507 nan 8.240 nan 0.000 0.511 4214 V N 1.803 121.727 119.914 0.016 0.000 2.610 4214 V HA 0.525 4.645 4.120 0.000 0.000 0.298 4214 V C -0.819 175.323 176.094 0.080 0.000 1.067 4214 V CA -0.801 61.524 62.300 0.041 0.000 0.894 4214 V CB 1.810 33.651 31.823 0.029 0.000 1.015 4214 V HN 0.727 nan 8.190 nan 0.000 0.432 4215 V N 6.319 126.311 119.914 0.131 0.000 2.417 4215 V HA 0.701 4.821 4.120 0.000 0.000 0.291 4215 V C -0.377 175.946 176.094 0.382 0.000 1.024 4215 V CA -0.234 62.192 62.300 0.211 0.000 0.861 4215 V CB 1.570 33.526 31.823 0.220 0.000 0.985 4215 V HN 0.895 nan 8.190 nan 0.000 0.436 4216 K N 5.942 126.460 120.400 0.196 0.000 2.295 4216 K HA 0.620 4.940 4.320 0.000 0.000 0.239 4216 K C -2.797 173.488 176.600 -0.525 0.000 0.991 4216 K CA -2.125 54.133 56.287 -0.048 0.000 0.845 4216 K CB 1.659 34.137 32.500 -0.038 0.000 1.197 4216 K HN 0.395 nan 8.250 nan 0.000 0.441 4217 P HA -0.122 nan 4.420 nan 0.000 0.264 4217 P C -1.160 175.905 177.300 -0.392 0.000 1.173 4217 P CA 0.809 63.267 63.100 -1.071 0.000 0.761 4217 P CB 0.110 31.409 31.700 -0.669 0.000 0.794 4218 D N 1.495 121.772 120.400 -0.205 0.000 2.848 4218 D HA -0.135 4.505 4.640 0.000 0.000 0.245 4218 D C -0.396 175.890 176.300 -0.023 0.000 1.122 4218 D CA 1.454 55.412 54.000 -0.070 0.000 0.769 4218 D CB -2.238 38.515 40.800 -0.079 0.000 1.025 4218 D HN 0.379 nan 8.370 nan 0.000 0.423 4219 S N -0.828 114.907 115.700 0.059 0.000 3.614 4219 S HA -0.251 4.219 4.470 0.000 0.000 0.360 4219 S C 0.090 174.719 174.600 0.049 0.000 1.023 4219 S CA 0.811 59.064 58.200 0.088 0.000 1.114 4219 S CB -0.525 62.699 63.200 0.040 0.000 0.907 4219 S HN 0.625 nan 8.310 nan 0.000 0.470 4220 D N 1.230 121.651 120.400 0.034 0.000 2.590 4220 D HA 0.407 5.047 4.640 0.000 0.000 0.280 4220 D C -0.202 176.126 176.300 0.047 0.000 1.197 4220 D CA -0.414 53.597 54.000 0.019 0.000 0.967 4220 D CB -0.125 40.663 40.800 -0.020 0.000 0.987 4220 D HN 0.508 nan 8.370 nan 0.000 0.508 4221 I N 2.177 122.783 120.570 0.059 0.000 2.297 4221 I HA 0.174 4.344 4.170 0.000 0.000 0.291 4221 I C 0.122 176.265 176.117 0.042 0.000 1.033 4221 I CA -1.000 60.338 61.300 0.064 0.000 1.253 4221 I CB 1.509 39.551 38.000 0.069 0.000 1.396 4221 I HN 0.052 nan 8.210 nan 0.000 0.476 4222 V N 3.810 123.747 119.914 0.038 0.000 2.289 4222 V HA 0.691 4.811 4.120 0.000 0.000 0.272 4222 V C 0.459 176.562 176.094 0.016 0.000 1.026 4222 V CA -0.777 61.538 62.300 0.025 0.000 0.807 4222 V CB 0.843 32.679 31.823 0.023 0.000 1.044 4222 V HN 0.723 nan 8.190 nan 0.000 0.443 4223 A N 5.715 128.541 122.820 0.011 0.000 2.462 4223 A HA 0.654 4.974 4.320 0.000 0.000 0.243 4223 A C 0.109 177.687 177.584 -0.011 0.000 1.076 4223 A CA -0.251 51.786 52.037 -0.001 0.000 0.773 4223 A CB 0.280 19.281 19.000 0.002 0.000 1.010 4223 A HN 0.920 nan 8.150 nan 0.000 0.493 4224 L N 2.248 123.453 121.223 -0.029 0.000 2.375 4224 L HA 0.356 4.697 4.340 0.000 0.000 0.271 4224 L C 1.113 177.963 176.870 -0.033 0.000 1.107 4224 L CA -0.387 54.428 54.840 -0.041 0.000 0.806 4224 L CB 1.497 43.503 42.059 -0.089 0.000 1.146 4224 L HN 0.993 nan 8.230 nan 0.000 0.447 4225 S N 0.583 116.270 115.700 -0.022 0.000 2.690 4225 S HA 0.273 4.743 4.470 0.000 0.000 0.285 4225 S C 0.995 175.587 174.600 -0.014 0.000 1.135 4225 S CA -0.510 57.683 58.200 -0.012 0.000 1.020 4225 S CB 1.370 64.570 63.200 -0.000 0.000 1.159 4225 S HN 0.539 nan 8.310 nan 0.000 0.534 4226 S N 0.592 116.289 115.700 -0.005 0.000 2.387 4226 S HA -0.024 4.446 4.470 0.000 0.000 0.226 4226 S C 1.649 176.256 174.600 0.011 0.000 1.026 4226 S CA 1.264 59.463 58.200 -0.002 0.000 0.972 4226 S CB -0.594 62.606 63.200 0.000 0.000 0.814 4226 S HN 0.729 nan 8.310 nan 0.000 0.477 4227 E N 1.263 121.473 120.200 0.017 0.000 2.285 4227 E HA -0.021 4.329 4.350 0.000 0.000 0.194 4227 E C 1.760 178.393 176.600 0.054 0.000 0.997 4227 E CA 0.657 57.075 56.400 0.031 0.000 0.845 4227 E CB -0.067 29.649 29.700 0.027 0.000 0.782 4227 E HN 0.585 nan 8.360 nan 0.000 0.491 4228 E N -0.346 119.884 120.200 0.050 0.000 2.385 4228 E HA 0.058 4.408 4.350 0.000 0.000 0.194 4228 E C 1.532 178.195 176.600 0.105 0.000 1.013 4228 E CA 0.233 56.688 56.400 0.092 0.000 0.866 4228 E CB 0.220 29.947 29.700 0.046 0.000 0.832 4228 E HN 0.263 nan 8.360 nan 0.000 0.500 4229 I N 1.057 121.645 120.570 0.030 0.000 3.226 4229 I HA -0.082 4.088 4.170 0.000 0.000 0.277 4229 I C 0.704 176.874 176.117 0.088 0.000 1.243 4229 I CA 0.616 61.916 61.300 0.000 0.000 1.459 4229 I CB 0.087 38.062 38.000 -0.042 0.000 1.093 4229 I HN 0.026 nan 8.210 nan 0.000 0.453 4230 N N 0.204 118.960 118.700 0.093 0.000 2.203 4230 N HA 0.051 4.791 4.740 0.000 0.000 0.207 4230 N C 0.741 176.308 175.510 0.095 0.000 1.130 4230 N CA 0.069 53.169 53.050 0.085 0.000 0.861 4230 N CB 0.429 38.944 38.487 0.046 0.000 1.005 4230 N HN 0.264 nan 8.380 nan 0.000 0.507 4231 Q N -1.137 118.751 119.800 0.147 0.000 2.246 4231 Q HA 0.186 4.526 4.340 0.000 0.000 0.202 4231 Q C 0.123 176.154 176.000 0.051 0.000 0.883 4231 Q CA 0.277 56.136 55.803 0.093 0.000 0.952 4231 Q CB 0.365 29.158 28.738 0.092 0.000 1.078 4231 Q HN 0.494 nan 8.270 nan 0.000 0.493 4232 Y N -1.312 118.991 120.300 0.005 0.000 2.886 4232 Y HA -0.075 4.475 4.550 0.000 0.000 0.244 4232 Y C 2.182 178.084 175.900 0.004 0.000 1.017 4232 Y CA 0.332 58.435 58.100 0.006 0.000 1.389 4232 Y CB 0.098 38.560 38.460 0.004 0.000 1.477 4232 Y HN 0.013 nan 8.280 nan 0.000 0.466 4233 V N -1.197 118.820 119.914 0.172 0.000 2.324 4233 V HA -0.221 3.899 4.120 0.000 0.000 0.250 4233 V C 1.383 177.508 176.094 0.053 0.000 1.060 4233 V CA 2.165 64.517 62.300 0.087 0.000 1.042 4233 V CB -1.850 30.006 31.823 0.056 0.000 0.650 4233 V HN 0.535 nan 8.190 nan 0.000 0.450 4234 T N -1.797 112.785 114.554 0.046 0.000 3.341 4234 T HA 0.319 4.669 4.350 0.000 0.000 0.234 4234 T C 0.754 175.456 174.700 0.003 0.000 0.890 4234 T CA 0.452 62.565 62.100 0.022 0.000 0.952 4234 T CB 0.082 68.962 68.868 0.020 0.000 1.146 4234 T HN 0.714 nan 8.240 nan 0.000 0.591 4235 Q N -0.337 119.460 119.800 -0.006 0.000 1.921 4235 Q HA 0.300 4.640 4.340 0.000 0.000 0.192 4235 Q C 0.583 176.567 176.000 -0.026 0.000 0.755 4235 Q CA -0.028 55.752 55.803 -0.039 0.000 0.904 4235 Q CB 0.538 29.215 28.738 -0.102 0.000 1.222 4235 Q HN 0.608 nan 8.270 nan 0.000 0.417 4236 I N 0.401 120.975 120.570 0.007 0.000 2.726 4236 I HA -0.015 4.155 4.170 0.000 0.000 0.243 4236 I C 1.196 177.327 176.117 0.023 0.000 1.082 4236 I CA 0.544 61.859 61.300 0.025 0.000 1.447 4236 I CB 0.270 38.301 38.000 0.051 0.000 1.250 4236 I HN 0.119 nan 8.210 nan 0.000 0.453 4237 E N 0.823 121.037 120.200 0.023 0.000 2.520 4237 E HA -0.160 4.190 4.350 0.000 0.000 0.201 4237 E C 1.604 178.212 176.600 0.013 0.000 1.122 4237 E CA 0.244 56.656 56.400 0.020 0.000 0.896 4237 E CB 0.142 29.853 29.700 0.019 0.000 0.891 4237 E HN 0.518 nan 8.360 nan 0.000 0.533 4238 Q N 0.315 120.120 119.800 0.008 0.000 2.063 4238 Q HA -0.093 4.247 4.340 0.000 0.000 0.194 4238 Q C 1.715 177.717 176.000 0.004 0.000 0.974 4238 Q CA 0.746 56.551 55.803 0.003 0.000 0.827 4238 Q CB 0.121 28.856 28.738 -0.005 0.000 0.902 4238 Q HN 0.272 nan 8.270 nan 0.000 0.462 4239 E N 1.192 121.394 120.200 0.004 0.000 2.209 4239 E HA -0.222 4.128 4.350 0.000 0.000 0.196 4239 E C 1.811 178.419 176.600 0.013 0.000 0.993 4239 E CA 0.851 57.255 56.400 0.006 0.000 0.819 4239 E CB -0.039 29.665 29.700 0.007 0.000 0.745 4239 E HN 0.173 nan 8.360 nan 0.000 0.477 4240 K N 1.323 121.734 120.400 0.018 0.000 1.971 4240 K HA -0.292 4.028 4.320 0.000 0.000 0.221 4240 K C 2.095 178.705 176.600 0.017 0.000 1.050 4240 K CA 1.994 58.294 56.287 0.022 0.000 0.967 4240 K CB -0.081 32.435 32.500 0.026 0.000 0.733 4240 K HN -0.001 nan 8.250 nan 0.000 0.445 4241 Q N 0.728 120.536 119.800 0.013 0.000 2.443 4241 Q HA -0.089 4.251 4.340 0.000 0.000 0.213 4241 Q C -0.322 175.682 176.000 0.008 0.000 0.982 4241 Q CA 0.866 56.675 55.803 0.011 0.000 0.894 4241 Q CB 0.065 28.808 28.738 0.009 0.000 0.947 4241 Q HN 0.365 nan 8.270 nan 0.000 0.480 4242 E N 1.357 121.562 120.200 0.007 0.000 2.059 4242 E HA 0.002 4.352 4.350 0.000 0.000 0.262 4242 E C -0.372 176.230 176.600 0.005 0.000 1.230 4242 E CA -0.001 56.402 56.400 0.005 0.000 0.951 4242 E CB 0.297 29.999 29.700 0.003 0.000 1.038 4242 E HN 0.093 nan 8.360 nan 0.000 0.425 4243 Q N 0.000 119.802 119.800 0.004 0.000 2.315 4243 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 4243 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 4243 Q CB 0.000 28.741 28.738 0.004 0.000 1.108 4243 Q HN 0.000 nan 8.270 nan 0.000 0.481