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 3fwp_1_B DATA FIRST_RESID 6004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNXXX XXXXXSHAVK IVVEAARRLL 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 6004 S HA 0.000 nan 4.470 nan 0.000 0.327 6004 S C 0.000 174.600 174.600 0.000 0.000 1.055 6004 S CA 0.000 58.190 58.200 -0.017 0.000 1.107 6004 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 6005 D N 1.202 121.606 120.400 0.008 0.000 2.347 6005 D HA 0.129 4.769 4.640 0.000 0.000 0.215 6005 D C 0.899 177.219 176.300 0.032 0.000 0.976 6005 D CA 1.504 55.515 54.000 0.019 0.000 0.884 6005 D CB 0.351 41.162 40.800 0.018 0.000 0.915 6005 D HN 0.600 nan 8.370 nan 0.000 0.526 6006 V N -3.021 116.912 119.914 0.031 0.000 3.007 6006 V HA 0.357 4.477 4.120 0.000 0.000 0.311 6006 V C 0.701 176.832 176.094 0.062 0.000 1.120 6006 V CA -1.074 61.262 62.300 0.060 0.000 0.980 6006 V CB 1.652 33.504 31.823 0.048 0.000 1.033 6006 V HN -0.117 nan 8.190 nan 0.000 0.429 6007 F N 0.605 120.505 119.950 -0.084 0.000 2.259 6007 F HA 0.007 4.534 4.527 0.000 0.000 0.298 6007 F C 1.912 177.493 175.800 -0.366 0.000 1.088 6007 F CA 2.237 60.100 58.000 -0.228 0.000 1.358 6007 F CB 0.268 39.099 39.000 -0.281 0.000 1.040 6007 F HN 0.839 nan 8.300 nan 0.000 0.505 6008 H N -1.339 117.631 119.070 -0.167 0.000 2.545 6008 H HA 0.204 4.760 4.556 0.000 0.000 0.283 6008 H C 1.938 177.154 175.328 -0.188 0.000 0.997 6008 H CA 0.727 56.628 56.048 -0.244 0.000 1.269 6008 H CB -0.071 29.548 29.762 -0.239 0.000 1.451 6008 H HN 0.115 nan 8.280 nan 0.000 0.508 6009 L N -0.197 120.990 121.223 -0.060 0.000 2.313 6009 L HA 0.121 4.461 4.340 0.000 0.000 0.214 6009 L C 1.134 178.092 176.870 0.147 0.000 1.119 6009 L CA 0.746 55.598 54.840 0.019 0.000 0.809 6009 L CB -0.263 41.780 42.059 -0.027 0.000 0.933 6009 L HN 0.560 nan 8.230 nan 0.000 0.449 6010 G N 1.190 109.988 108.800 -0.003 0.000 2.246 6010 G HA2 -0.270 3.690 3.960 0.000 0.000 0.273 6010 G HA3 -0.270 3.690 3.960 0.000 0.000 0.273 6010 G C -0.136 174.808 174.900 0.073 0.000 1.055 6010 G CA 0.100 45.200 45.100 -0.001 0.000 0.851 6010 G HN 0.251 nan 8.290 nan 0.000 0.500 6011 L N -0.050 121.195 121.223 0.037 0.000 2.341 6011 L HA 0.834 5.174 4.340 0.000 0.000 0.267 6011 L C 0.757 177.638 176.870 0.017 0.000 1.009 6011 L CA -0.579 54.281 54.840 0.033 0.000 0.819 6011 L CB 2.373 44.455 42.059 0.038 0.000 1.323 6011 L HN 0.345 nan 8.230 nan 0.000 0.425 6012 T N -3.190 111.372 114.554 0.013 0.000 2.950 6012 T HA 0.365 4.715 4.350 0.000 0.000 0.288 6012 T C 0.647 175.352 174.700 0.009 0.000 1.035 6012 T CA -0.918 61.188 62.100 0.009 0.000 1.028 6012 T CB 1.918 70.789 68.868 0.005 0.000 1.109 6012 T HN 0.527 nan 8.240 nan 0.000 0.514 6013 K N 0.514 120.919 120.400 0.009 0.000 2.152 6013 K HA -0.180 4.140 4.320 0.000 0.000 0.206 6013 K C 2.029 178.630 176.600 0.002 0.000 1.048 6013 K CA 1.572 57.863 56.287 0.007 0.000 0.933 6013 K CB -0.325 32.179 32.500 0.007 0.000 0.721 6013 K HN 0.625 nan 8.250 nan 0.000 0.447 6014 N N 1.537 120.237 118.700 0.001 0.000 2.166 6014 N HA -0.165 4.575 4.740 0.000 0.000 0.186 6014 N C 1.152 176.659 175.510 -0.005 0.000 1.019 6014 N CA 1.471 54.520 53.050 -0.003 0.000 0.856 6014 N CB -0.030 38.455 38.487 -0.004 0.000 0.993 6014 N HN 0.087 nan 8.380 nan 0.000 0.426 6015 D N -0.329 120.068 120.400 -0.004 0.000 2.221 6015 D HA -0.119 4.521 4.640 0.000 0.000 0.204 6015 D C 1.582 177.879 176.300 -0.004 0.000 0.982 6015 D CA 0.636 54.632 54.000 -0.008 0.000 0.857 6015 D CB -0.076 40.722 40.800 -0.004 0.000 0.934 6015 D HN 0.295 nan 8.370 nan 0.000 0.475 6016 L N 0.355 121.578 121.223 -0.001 0.000 2.240 6016 L HA -0.006 4.334 4.340 0.000 0.000 0.211 6016 L C 0.812 177.679 176.870 -0.004 0.000 1.106 6016 L CA 0.609 55.448 54.840 -0.001 0.000 0.793 6016 L CB -0.241 41.816 42.059 -0.005 0.000 0.927 6016 L HN -0.069 nan 8.230 nan 0.000 0.446 6017 Q N -0.187 119.610 119.800 -0.005 0.000 2.475 6017 Q HA -0.262 4.078 4.340 0.000 0.000 0.280 6017 Q C 1.188 177.184 176.000 -0.007 0.000 1.234 6017 Q CA 0.917 56.716 55.803 -0.005 0.000 0.873 6017 Q CB -2.270 26.465 28.738 -0.004 0.000 1.256 6017 Q HN 0.677 nan 8.270 nan 0.000 0.475 6018 G N -1.852 106.943 108.800 -0.009 0.000 2.176 6018 G HA2 -0.268 3.692 3.960 0.000 0.000 0.253 6018 G HA3 -0.268 3.692 3.960 0.000 0.000 0.253 6018 G C 0.363 175.252 174.900 -0.019 0.000 0.979 6018 G CA 0.394 45.487 45.100 -0.012 0.000 0.641 6018 G HN 1.270 nan 8.290 nan 0.000 0.530 6019 A N -0.291 122.515 122.820 -0.022 0.000 2.540 6019 A HA 0.538 4.858 4.320 0.000 0.000 0.239 6019 A C 1.045 178.595 177.584 -0.057 0.000 1.061 6019 A CA 1.452 53.468 52.037 -0.035 0.000 0.758 6019 A CB 0.193 19.174 19.000 -0.031 0.000 0.991 6019 A HN 0.593 nan 8.150 nan 0.000 0.502 6020 Q N 0.833 120.588 119.800 -0.074 0.000 2.164 6020 Q HA 0.322 4.662 4.340 0.000 0.000 0.226 6020 Q C -0.555 175.342 176.000 -0.171 0.000 0.813 6020 Q CA -0.025 55.715 55.803 -0.104 0.000 0.978 6020 Q CB 0.730 29.427 28.738 -0.069 0.000 1.149 6020 Q HN 0.732 nan 8.270 nan 0.000 0.489 6021 L N 0.727 121.854 121.223 -0.160 0.000 2.362 6021 L HA 0.804 5.144 4.340 0.000 0.000 0.275 6021 L C -1.635 175.119 176.870 -0.194 0.000 0.998 6021 L CA -0.648 54.073 54.840 -0.198 0.000 0.820 6021 L CB 1.612 43.603 42.059 -0.115 0.000 1.270 6021 L HN -0.084 nan 8.230 nan 0.000 0.415 6022 A N 5.811 128.466 122.820 -0.275 0.000 2.343 6022 A HA 0.705 5.025 4.320 0.000 0.000 0.316 6022 A C -0.941 176.619 177.584 -0.040 0.000 1.104 6022 A CA -0.537 51.412 52.037 -0.146 0.000 0.768 6022 A CB 1.014 19.919 19.000 -0.159 0.000 1.213 6022 A HN 0.679 nan 8.150 nan 0.000 0.456 6023 I N 2.593 123.170 120.570 0.012 0.000 2.342 6023 I HA 0.358 4.528 4.170 0.000 0.000 0.291 6023 I C -0.166 175.997 176.117 0.077 0.000 1.010 6023 I CA -0.532 60.792 61.300 0.040 0.000 1.308 6023 I CB 1.754 39.765 38.000 0.018 0.000 1.400 6023 I HN 0.456 nan 8.210 nan 0.000 0.488 6024 V N 5.739 125.714 119.914 0.101 0.000 2.276 6024 V HA 0.502 4.622 4.120 0.000 0.000 0.268 6024 V C -2.533 173.608 176.094 0.078 0.000 1.032 6024 V CA -1.916 60.455 62.300 0.119 0.000 0.810 6024 V CB 0.336 32.267 31.823 0.180 0.000 1.060 6024 V HN 0.455 nan 8.190 nan 0.000 0.446 6025 P HA 0.301 nan 4.420 nan 0.000 0.276 6025 P C 0.986 178.306 177.300 0.034 0.000 1.252 6025 P CA 0.291 63.411 63.100 0.033 0.000 0.802 6025 P CB 1.836 33.544 31.700 0.012 0.000 1.035 6026 G N 0.085 108.895 108.800 0.016 0.000 2.396 6026 G HA2 -0.088 3.872 3.960 0.000 0.000 0.214 6026 G HA3 -0.088 3.872 3.960 0.000 0.000 0.214 6026 G C 0.314 175.204 174.900 -0.016 0.000 1.166 6026 G CA 0.440 45.541 45.100 0.002 0.000 0.793 6026 G HN 0.514 nan 8.290 nan 0.000 0.533 6027 D N 0.501 120.889 120.400 -0.020 0.000 2.317 6027 D HA 0.269 4.909 4.640 0.000 0.000 0.252 6027 D C -1.348 174.937 176.300 -0.024 0.000 1.174 6027 D CA -2.360 51.621 54.000 -0.032 0.000 0.866 6027 D CB 1.858 42.638 40.800 -0.035 0.000 1.127 6027 D HN -0.060 nan 8.370 nan 0.000 0.467 6028 P HA -0.139 nan 4.420 nan 0.000 0.217 6028 P C 0.601 177.896 177.300 -0.007 0.000 1.148 6028 P CA 1.162 64.260 63.100 -0.004 0.000 0.828 6028 P CB 0.255 31.946 31.700 -0.016 0.000 0.783 6029 E N -1.092 119.093 120.200 -0.026 0.000 2.418 6029 E HA -0.093 4.257 4.350 0.000 0.000 0.197 6029 E C 2.039 178.598 176.600 -0.069 0.000 1.026 6029 E CA 0.217 56.594 56.400 -0.038 0.000 0.862 6029 E CB -0.223 29.456 29.700 -0.034 0.000 0.799 6029 E HN 0.239 nan 8.360 nan 0.000 0.518 6030 R N 0.727 121.188 120.500 -0.066 0.000 2.246 6030 R HA -0.007 4.333 4.340 0.000 0.000 0.199 6030 R C 1.974 178.198 176.300 -0.127 0.000 0.984 6030 R CA 0.154 56.204 56.100 -0.082 0.000 1.015 6030 R CB 0.281 30.550 30.300 -0.051 0.000 0.930 6030 R HN -0.008 nan 8.270 nan 0.000 0.475 6031 V N 1.186 121.023 119.914 -0.129 0.000 2.255 6031 V HA -0.272 3.848 4.120 0.000 0.000 0.247 6031 V C 2.246 178.065 176.094 -0.459 0.000 1.051 6031 V CA 2.285 64.479 62.300 -0.176 0.000 1.018 6031 V CB -0.502 31.296 31.823 -0.041 0.000 0.641 6031 V HN 0.458 nan 8.190 nan 0.000 0.445 6032 E N 0.294 120.085 120.200 -0.682 0.000 2.085 6032 E HA -0.268 4.082 4.350 0.000 0.000 0.194 6032 E C 2.229 178.445 176.600 -0.641 0.000 0.994 6032 E CA 1.494 57.214 56.400 -1.134 0.000 0.801 6032 E CB -0.060 29.126 29.700 -0.857 0.000 0.743 6032 E HN 0.620 nan 8.360 nan 0.000 0.453 6033 K N 0.154 120.337 120.400 -0.362 0.000 2.057 6033 K HA -0.138 4.182 4.320 0.000 0.000 0.207 6033 K C 2.245 178.733 176.600 -0.187 0.000 1.049 6033 K CA 1.554 57.707 56.287 -0.223 0.000 0.931 6033 K CB -0.182 32.233 32.500 -0.142 0.000 0.714 6033 K HN 0.240 nan 8.250 nan 0.000 0.440 6034 I N 1.262 121.724 120.570 -0.180 0.000 2.202 6034 I HA -0.252 3.918 4.170 0.000 0.000 0.242 6034 I C 2.585 178.627 176.117 -0.126 0.000 1.091 6034 I CA 1.072 62.300 61.300 -0.120 0.000 1.368 6034 I CB -0.415 37.534 38.000 -0.085 0.000 1.058 6034 I HN 0.139 nan 8.210 nan 0.000 0.410 6035 A N 0.789 123.491 122.820 -0.198 0.000 1.940 6035 A HA -0.180 4.140 4.320 0.000 0.000 0.219 6035 A C 2.484 180.003 177.584 -0.107 0.000 1.176 6035 A CA 1.836 53.793 52.037 -0.134 0.000 0.631 6035 A CB -0.843 18.044 19.000 -0.188 0.000 0.814 6035 A HN 0.441 nan 8.150 nan 0.000 0.446 6036 A N -0.604 122.105 122.820 -0.185 0.000 2.125 6036 A HA 0.082 4.402 4.320 0.000 0.000 0.219 6036 A C 1.871 179.420 177.584 -0.058 0.000 1.156 6036 A CA 1.170 53.139 52.037 -0.113 0.000 0.671 6036 A CB -0.507 18.406 19.000 -0.144 0.000 0.794 6036 A HN 0.486 nan 8.150 nan 0.000 0.459 6037 L N -1.266 119.922 121.223 -0.058 0.000 2.599 6037 L HA 0.151 4.491 4.340 0.000 0.000 0.230 6037 L C 0.871 177.729 176.870 -0.020 0.000 1.141 6037 L CA 0.019 54.838 54.840 -0.036 0.000 0.877 6037 L CB -0.282 41.754 42.059 -0.038 0.000 1.009 6037 L HN 0.410 nan 8.230 nan 0.000 0.447 6038 M N -1.708 117.885 119.600 -0.011 0.000 2.852 6038 M HA 0.330 4.810 4.480 0.000 0.000 0.301 6038 M C -0.762 175.549 176.300 0.019 0.000 1.229 6038 M CA -0.906 54.396 55.300 0.004 0.000 0.832 6038 M CB 1.482 34.087 32.600 0.009 0.000 1.726 6038 M HN -0.196 nan 8.290 nan 0.000 0.497 6039 D N 1.469 121.882 120.400 0.022 0.000 2.304 6039 D HA 0.146 4.786 4.640 0.000 0.000 0.247 6039 D C -0.366 175.960 176.300 0.045 0.000 1.089 6039 D CA 0.096 54.112 54.000 0.028 0.000 0.910 6039 D CB 0.645 41.456 40.800 0.018 0.000 1.199 6039 D HN 0.440 nan 8.370 nan 0.000 0.426 6040 K N -0.296 120.134 120.400 0.049 0.000 3.490 6040 K HA -0.144 4.176 4.320 0.000 0.000 0.273 6040 K C -2.299 174.360 176.600 0.098 0.000 0.916 6040 K CA 0.065 56.388 56.287 0.059 0.000 0.718 6040 K CB -1.500 31.023 32.500 0.038 0.000 1.477 6040 K HN 0.362 nan 8.250 nan 0.000 0.452 6041 P HA 0.123 nan 4.420 nan 0.000 0.271 6041 P C -0.279 177.210 177.300 0.314 0.000 1.220 6041 P CA -0.070 63.207 63.100 0.295 0.000 0.768 6041 P CB 1.165 33.057 31.700 0.319 0.000 0.848 6042 V N 4.176 124.212 119.914 0.204 0.000 2.577 6042 V HA 0.267 4.387 4.120 0.000 0.000 0.303 6042 V C 0.488 176.207 176.094 -0.624 0.000 1.042 6042 V CA -0.951 61.243 62.300 -0.175 0.000 0.872 6042 V CB 1.911 33.668 31.823 -0.109 0.000 0.998 6042 V HN 0.479 nan 8.190 nan 0.000 0.423 6043 K N 3.338 122.877 120.400 -1.435 0.000 2.401 6043 K HA 0.352 4.672 4.320 0.000 0.000 0.278 6043 K C 0.160 176.341 176.600 -0.700 0.000 1.018 6043 K CA -0.027 55.236 56.287 -1.707 0.000 0.981 6043 K CB 0.691 32.315 32.500 -1.460 0.000 0.933 6043 K HN 0.643 nan 8.250 nan 0.000 0.477 6044 L N 2.433 123.371 121.223 -0.476 0.000 2.453 6044 L HA 0.373 4.713 4.340 0.000 0.000 0.190 6044 L C 0.431 177.207 176.870 -0.156 0.000 1.093 6044 L CA 0.079 54.790 54.840 -0.216 0.000 0.834 6044 L CB 0.260 42.263 42.059 -0.094 0.000 1.090 6044 L HN 0.736 nan 8.230 nan 0.000 0.489 6045 A N -1.006 121.741 122.820 -0.123 0.000 2.610 6045 A HA 0.651 4.971 4.320 0.000 0.000 0.291 6045 A C -1.189 176.315 177.584 -0.133 0.000 1.086 6045 A CA -0.274 51.690 52.037 -0.121 0.000 0.677 6045 A CB 1.821 20.830 19.000 0.015 0.000 1.278 6045 A HN -0.097 nan 8.150 nan 0.000 0.414 6046 S N 0.681 116.180 115.700 -0.335 0.000 2.673 6046 S HA 0.594 5.064 4.470 0.000 0.000 0.256 6046 S C -1.695 172.643 174.600 -0.436 0.000 1.141 6046 S CA -0.493 57.573 58.200 -0.223 0.000 1.109 6046 S CB 0.126 63.259 63.200 -0.111 0.000 1.101 6046 S HN 0.697 nan 8.310 nan 0.000 0.471 6047 H N 3.498 122.637 119.070 0.114 0.000 2.667 6047 H HA 0.549 5.105 4.556 0.000 0.000 0.353 6047 H C 0.674 176.090 175.328 0.148 0.000 1.072 6047 H CA -0.461 55.655 56.048 0.112 0.000 1.214 6047 H CB 1.533 31.362 29.762 0.110 0.000 1.600 6047 H HN 0.734 nan 8.280 nan 0.000 0.527 6048 R N 0.525 121.127 120.500 0.169 0.000 3.750 6048 R HA -0.236 4.104 4.340 0.000 0.000 0.495 6048 R C 1.128 177.357 176.300 -0.119 0.000 0.241 6048 R CA 1.914 58.030 56.100 0.027 0.000 1.551 6048 R CB -0.718 29.617 30.300 0.057 0.000 0.956 6048 R HN 0.776 nan 8.270 nan 0.000 0.584 6049 E N 1.949 121.903 120.200 -0.409 0.000 2.476 6049 E HA -0.001 4.349 4.350 0.000 0.000 0.191 6049 E C -0.139 176.190 176.600 -0.451 0.000 1.064 6049 E CA 0.644 56.774 56.400 -0.450 0.000 0.866 6049 E CB 0.064 29.457 29.700 -0.511 0.000 0.952 6049 E HN 0.368 nan 8.360 nan 0.000 0.492 6050 F N 1.753 121.740 119.950 0.063 0.000 2.309 6050 F HA 0.292 4.819 4.527 -0.000 0.000 0.366 6050 F C 0.205 176.050 175.800 0.076 0.000 1.104 6050 F CA -0.662 57.385 58.000 0.078 0.000 1.179 6050 F CB 1.297 40.359 39.000 0.104 0.000 1.437 6050 F HN -0.311 nan 8.300 nan 0.000 0.528 6051 T N 2.021 116.696 114.554 0.202 0.000 2.767 6051 T HA 0.482 4.832 4.350 0.000 0.000 0.284 6051 T C -0.188 174.656 174.700 0.240 0.000 0.973 6051 T CA -0.699 61.511 62.100 0.183 0.000 0.996 6051 T CB 1.077 70.038 68.868 0.156 0.000 0.927 6051 T HN 0.536 nan 8.240 nan 0.000 0.456 6052 S N 2.275 118.117 115.700 0.237 0.000 2.526 6052 S HA 0.784 5.254 4.470 0.000 0.000 0.293 6052 S C -1.641 173.123 174.600 0.273 0.000 1.092 6052 S CA -1.009 57.339 58.200 0.245 0.000 0.980 6052 S CB 1.273 64.567 63.200 0.157 0.000 1.048 6052 S HN 0.660 nan 8.310 nan 0.000 0.483 6053 W N 1.029 122.343 121.300 0.023 0.000 2.950 6053 W HA 0.661 5.321 4.660 -0.000 0.000 0.340 6053 W C 0.125 176.649 176.519 0.009 0.000 1.139 6053 W CA -0.797 56.555 57.345 0.012 0.000 1.188 6053 W CB 1.924 31.389 29.460 0.008 0.000 1.426 6053 W HN 0.774 nan 8.180 nan 0.000 0.531 6054 R N 1.556 122.172 120.500 0.194 0.000 2.664 6054 R HA 0.897 5.237 4.340 0.000 0.000 0.286 6054 R C -0.678 175.720 176.300 0.163 0.000 0.967 6054 R CA -0.356 55.820 56.100 0.127 0.000 0.933 6054 R CB 1.496 31.824 30.300 0.046 0.000 1.146 6054 R HN 0.635 nan 8.270 nan 0.000 0.468 6055 A N 2.226 125.113 122.820 0.112 0.000 2.533 6055 A HA 0.478 4.798 4.320 0.000 0.000 0.293 6055 A C -1.626 175.988 177.584 0.050 0.000 1.228 6055 A CA -0.691 51.403 52.037 0.095 0.000 0.689 6055 A CB 1.822 20.880 19.000 0.096 0.000 1.303 6055 A HN 0.723 nan 8.150 nan 0.000 0.444 6056 E N -0.401 119.822 120.200 0.038 0.000 2.248 6056 E HA 0.582 4.932 4.350 0.000 0.000 0.267 6056 E C -2.278 174.329 176.600 0.013 0.000 0.877 6056 E CA -0.586 55.827 56.400 0.021 0.000 0.759 6056 E CB 1.830 31.542 29.700 0.019 0.000 1.182 6056 E HN 0.470 nan 8.360 nan 0.000 0.418 6057 L N 4.512 125.737 121.223 0.004 0.000 2.404 6057 L HA 0.337 4.677 4.340 0.000 0.000 0.272 6057 L C -1.110 175.757 176.870 -0.005 0.000 0.980 6057 L CA -0.084 54.755 54.840 -0.002 0.000 0.836 6057 L CB 1.409 43.464 42.059 -0.006 0.000 1.238 6057 L HN 0.669 nan 8.230 nan 0.000 0.408 6058 D N 4.422 124.819 120.400 -0.004 0.000 2.701 6058 D HA -0.205 4.435 4.640 0.000 0.000 0.235 6058 D C 1.102 177.400 176.300 -0.004 0.000 1.155 6058 D CA 1.484 55.480 54.000 -0.005 0.000 0.649 6058 D CB -0.929 39.867 40.800 -0.008 0.000 1.050 6058 D HN 1.201 nan 8.370 nan 0.000 0.425 6059 G N -0.681 108.118 108.800 -0.001 0.000 2.153 6059 G HA2 -0.347 3.613 3.960 0.000 0.000 0.252 6059 G HA3 -0.347 3.613 3.960 0.000 0.000 0.252 6059 G C 0.221 175.120 174.900 -0.002 0.000 0.994 6059 G CA 0.681 45.780 45.100 -0.001 0.000 0.698 6059 G HN 0.417 nan 8.290 nan 0.000 0.521 6060 K N 0.243 120.641 120.400 -0.003 0.000 2.324 6060 K HA 0.689 5.009 4.320 0.000 0.000 0.253 6060 K C 0.422 177.020 176.600 -0.004 0.000 0.932 6060 K CA -0.057 56.226 56.287 -0.006 0.000 0.799 6060 K CB 1.929 34.423 32.500 -0.011 0.000 1.154 6060 K HN 0.505 nan 8.250 nan 0.000 0.425 6061 A N 2.478 125.295 122.820 -0.004 0.000 2.477 6061 A HA 0.352 4.672 4.320 0.000 0.000 0.246 6061 A C -0.255 177.325 177.584 -0.007 0.000 1.078 6061 A CA -0.107 51.930 52.037 -0.000 0.000 0.770 6061 A CB 0.302 19.301 19.000 -0.002 0.000 1.011 6061 A HN 0.380 nan 8.150 nan 0.000 0.494 6062 V N 3.951 123.867 119.914 0.003 0.000 2.789 6062 V HA 0.356 4.477 4.120 0.000 0.000 0.311 6062 V C -0.456 175.649 176.094 0.018 0.000 1.073 6062 V CA -0.678 61.620 62.300 -0.004 0.000 0.921 6062 V CB 1.874 33.695 31.823 -0.003 0.000 1.009 6062 V HN 0.748 nan 8.190 nan 0.000 0.426 6063 I N 3.979 124.552 120.570 0.005 0.000 2.392 6063 I HA 0.476 4.646 4.170 0.000 0.000 0.295 6063 I C -0.224 175.927 176.117 0.055 0.000 0.985 6063 I CA -0.444 60.879 61.300 0.038 0.000 1.221 6063 I CB 1.830 39.841 38.000 0.019 0.000 1.366 6063 I HN 0.273 nan 8.210 nan 0.000 0.467 6064 V N 5.473 125.451 119.914 0.106 0.000 2.448 6064 V HA 0.440 4.560 4.120 0.000 0.000 0.295 6064 V C -0.321 175.860 176.094 0.146 0.000 1.025 6064 V CA -0.485 61.876 62.300 0.102 0.000 0.859 6064 V CB 2.004 33.871 31.823 0.074 0.000 0.988 6064 V HN 0.898 nan 8.190 nan 0.000 0.431 6065 C N 4.857 124.239 119.300 0.137 0.000 2.551 6065 C HA 0.674 5.134 4.460 0.000 0.000 0.332 6065 C C 0.499 175.592 174.990 0.171 0.000 1.139 6065 C CA -0.393 58.728 59.018 0.173 0.000 1.328 6065 C CB 1.125 28.971 27.740 0.177 0.000 1.903 6065 C HN 1.076 nan 8.230 nan 0.000 0.459 6066 S N 3.273 119.078 115.700 0.175 0.000 2.585 6066 S HA 0.371 4.841 4.470 0.000 0.000 0.273 6066 S C 0.930 175.657 174.600 0.211 0.000 1.339 6066 S CA 0.455 58.737 58.200 0.137 0.000 1.028 6066 S CB 1.312 64.556 63.200 0.074 0.000 0.906 6066 S HN 1.055 nan 8.310 nan 0.000 0.528 6067 T N -1.363 113.272 114.554 0.136 0.000 2.990 6067 T HA 0.525 4.875 4.350 0.000 0.000 0.250 6067 T C 1.197 175.912 174.700 0.026 0.000 1.041 6067 T CA 0.315 62.521 62.100 0.177 0.000 1.010 6067 T CB -0.900 68.034 68.868 0.110 0.000 1.003 6067 T HN 1.956 nan 8.240 nan 0.000 0.499 6068 G N 1.564 110.318 108.800 -0.078 0.000 2.828 6068 G HA2 -0.127 3.833 3.960 0.000 0.000 0.463 6068 G HA3 -0.127 3.833 3.960 0.000 0.000 0.463 6068 G C -0.565 174.294 174.900 -0.068 0.000 1.394 6068 G CA -0.515 44.501 45.100 -0.139 0.000 0.862 6068 G HN 0.647 nan 8.290 nan 0.000 0.540 6069 I N 2.155 122.680 120.570 -0.074 0.000 2.416 6069 I HA 0.504 4.674 4.170 0.000 0.000 0.288 6069 I C 1.140 177.238 176.117 -0.032 0.000 1.051 6069 I CA 1.243 62.516 61.300 -0.046 0.000 1.375 6069 I CB 0.547 38.512 38.000 -0.058 0.000 1.407 6069 I HN 1.968 nan 8.210 nan 0.000 0.516 6070 G N 3.913 112.704 108.800 -0.014 0.000 2.629 6070 G HA2 -0.072 3.888 3.960 0.000 0.000 0.686 6070 G HA3 -0.072 3.888 3.960 0.000 0.000 0.686 6070 G C 0.526 175.425 174.900 -0.002 0.000 1.232 6070 G CA -0.496 44.599 45.100 -0.009 0.000 0.803 6070 G HN 0.917 nan 8.290 nan 0.000 0.638 6071 G N 0.564 109.362 108.800 -0.004 0.000 2.476 6071 G HA2 0.003 3.963 3.960 0.000 0.000 0.218 6071 G HA3 0.003 3.963 3.960 0.000 0.000 0.218 6071 G C 0.152 175.055 174.900 0.005 0.000 1.164 6071 G CA 2.247 47.346 45.100 -0.002 0.000 0.768 6071 G HN 0.700 nan 8.290 nan 0.000 0.560 6072 P HA -0.110 nan 4.420 nan 0.000 0.214 6072 P C 2.316 179.641 177.300 0.042 0.000 1.163 6072 P CA 2.046 65.145 63.100 -0.001 0.000 0.889 6072 P CB -0.160 31.533 31.700 -0.011 0.000 0.790 6073 S N -1.910 113.826 115.700 0.060 0.000 2.402 6073 S HA -0.117 4.353 4.470 0.000 0.000 0.229 6073 S C 1.882 176.618 174.600 0.226 0.000 1.021 6073 S CA 1.828 60.126 58.200 0.164 0.000 0.974 6073 S CB -1.369 61.852 63.200 0.035 0.000 0.800 6073 S HN 0.115 nan 8.310 nan 0.000 0.484 6074 T N 1.803 116.421 114.554 0.106 0.000 2.720 6074 T HA -0.124 4.226 4.350 0.000 0.000 0.268 6074 T C 2.190 176.894 174.700 0.007 0.000 1.037 6074 T CA 1.792 63.931 62.100 0.064 0.000 1.144 6074 T CB -0.626 68.245 68.868 0.005 0.000 0.864 6074 T HN 0.735 nan 8.240 nan 0.000 0.444 6075 S N 1.098 116.806 115.700 0.014 0.000 2.402 6075 S HA -0.013 4.457 4.470 0.000 0.000 0.229 6075 S C 2.065 176.671 174.600 0.010 0.000 1.021 6075 S CA 0.687 58.898 58.200 0.018 0.000 0.974 6075 S CB -0.715 62.590 63.200 0.175 0.000 0.800 6075 S HN 0.500 nan 8.310 nan 0.000 0.484 6076 I N 2.188 122.751 120.570 -0.011 0.000 2.163 6076 I HA -0.092 4.078 4.170 0.000 0.000 0.240 6076 I C 3.124 179.122 176.117 -0.199 0.000 1.081 6076 I CA 1.105 62.327 61.300 -0.129 0.000 1.353 6076 I CB -0.720 37.108 38.000 -0.286 0.000 1.054 6076 I HN 0.419 nan 8.210 nan 0.000 0.407 6077 A N 0.485 123.198 122.820 -0.178 0.000 1.883 6077 A HA -0.174 4.146 4.320 0.000 0.000 0.217 6077 A C 2.431 179.991 177.584 -0.041 0.000 1.186 6077 A CA 2.009 53.958 52.037 -0.147 0.000 0.624 6077 A CB -1.079 17.982 19.000 0.102 0.000 0.822 6077 A HN 0.239 nan 8.150 nan 0.000 0.444 6078 V N 0.202 120.049 119.914 -0.112 0.000 2.295 6078 V HA -0.257 3.863 4.120 0.000 0.000 0.246 6078 V C 2.645 178.654 176.094 -0.141 0.000 1.049 6078 V CA 2.513 64.623 62.300 -0.315 0.000 1.024 6078 V CB -0.787 30.633 31.823 -0.671 0.000 0.648 6078 V HN 0.779 nan 8.190 nan 0.000 0.447 6079 E N 0.900 121.044 120.200 -0.092 0.000 2.051 6079 E HA -0.244 4.106 4.350 0.000 0.000 0.192 6079 E C 2.078 178.706 176.600 0.047 0.000 0.991 6079 E CA 2.014 58.413 56.400 -0.003 0.000 0.799 6079 E CB -0.309 29.419 29.700 0.047 0.000 0.748 6079 E HN 0.684 nan 8.360 nan 0.000 0.449 6080 E N -0.096 120.120 120.200 0.026 0.000 2.107 6080 E HA -0.088 4.262 4.350 0.000 0.000 0.191 6080 E C 2.286 178.927 176.600 0.069 0.000 0.982 6080 E CA 0.843 57.266 56.400 0.038 0.000 0.809 6080 E CB -0.115 29.583 29.700 -0.002 0.000 0.756 6080 E HN 0.300 nan 8.360 nan 0.000 0.459 6081 L N 0.750 122.042 121.223 0.116 0.000 2.046 6081 L HA -0.199 4.141 4.340 0.000 0.000 0.208 6081 L C 2.614 179.600 176.870 0.192 0.000 1.077 6081 L CA 1.043 55.988 54.840 0.176 0.000 0.747 6081 L CB -0.486 41.769 42.059 0.326 0.000 0.896 6081 L HN 0.151 nan 8.230 nan 0.000 0.432 6082 A N -0.500 122.490 122.820 0.283 0.000 1.883 6082 A HA -0.272 4.048 4.320 0.000 0.000 0.217 6082 A C 2.206 179.857 177.584 0.112 0.000 1.186 6082 A CA 1.669 53.842 52.037 0.226 0.000 0.624 6082 A CB -0.527 18.596 19.000 0.205 0.000 0.822 6082 A HN 0.478 nan 8.150 nan 0.000 0.444 6083 Q N -0.646 119.208 119.800 0.090 0.000 2.135 6083 Q HA -0.092 4.248 4.340 0.000 0.000 0.204 6083 Q C 1.846 177.874 176.000 0.048 0.000 0.981 6083 Q CA 1.359 57.198 55.803 0.061 0.000 0.856 6083 Q CB -0.297 28.474 28.738 0.055 0.000 0.902 6083 Q HN 0.691 nan 8.270 nan 0.000 0.425 6084 L N -1.418 119.835 121.223 0.049 0.000 2.478 6084 L HA 0.047 4.387 4.340 0.000 0.000 0.223 6084 L C 1.253 178.134 176.870 0.018 0.000 1.140 6084 L CA 0.677 55.536 54.840 0.031 0.000 0.842 6084 L CB 0.149 42.226 42.059 0.031 0.000 0.953 6084 L HN 0.456 nan 8.230 nan 0.000 0.452 6085 G N -0.683 108.130 108.800 0.021 0.000 2.227 6085 G HA2 -0.157 3.803 3.960 0.000 0.000 0.168 6085 G HA3 -0.157 3.803 3.960 0.000 0.000 0.168 6085 G C 0.180 175.062 174.900 -0.031 0.000 1.006 6085 G CA -0.737 44.364 45.100 0.002 0.000 0.684 6085 G HN 0.030 nan 8.290 nan 0.000 0.489 6086 I N 1.200 121.737 120.570 -0.054 0.000 2.556 6086 I HA 0.348 4.518 4.170 0.000 0.000 0.284 6086 I C 1.256 177.262 176.117 -0.186 0.000 1.114 6086 I CA 0.143 61.315 61.300 -0.213 0.000 1.418 6086 I CB 1.088 38.836 38.000 -0.420 0.000 1.394 6086 I HN 0.072 nan 8.210 nan 0.000 0.552 6087 R N 2.901 123.271 120.500 -0.218 0.000 2.469 6087 R HA 0.199 4.539 4.340 0.000 0.000 0.250 6087 R C -0.199 176.056 176.300 -0.074 0.000 0.909 6087 R CA 0.222 56.283 56.100 -0.064 0.000 1.050 6087 R CB 0.566 30.854 30.300 -0.021 0.000 1.256 6087 R HN 0.527 nan 8.270 nan 0.000 0.550 6088 T N 1.308 115.697 114.554 -0.275 0.000 2.879 6088 T HA 0.581 4.931 4.350 0.000 0.000 0.290 6088 T C -1.062 173.414 174.700 -0.373 0.000 0.993 6088 T CA -0.301 61.700 62.100 -0.164 0.000 0.975 6088 T CB 1.271 70.084 68.868 -0.092 0.000 0.981 6088 T HN -0.174 nan 8.240 nan 0.000 0.439 6089 F N 2.581 122.527 119.950 -0.006 0.000 2.493 6089 F HA 0.582 5.109 4.527 0.000 0.000 0.329 6089 F C -0.236 175.560 175.800 -0.006 0.000 1.126 6089 F CA -1.117 56.879 58.000 -0.005 0.000 0.937 6089 F CB 1.389 40.382 39.000 -0.012 0.000 1.146 6089 F HN 0.226 nan 8.300 nan 0.000 0.442 6090 L N 4.179 125.485 121.223 0.138 0.000 2.318 6090 L HA 0.495 4.835 4.340 0.000 0.000 0.277 6090 L C 0.005 176.926 176.870 0.085 0.000 1.008 6090 L CA -0.664 54.226 54.840 0.084 0.000 0.846 6090 L CB 1.560 43.639 42.059 0.033 0.000 1.220 6090 L HN 0.591 nan 8.230 nan 0.000 0.423 6091 R N 3.130 123.676 120.500 0.076 0.000 2.389 6091 R HA 0.416 4.756 4.340 0.000 0.000 0.295 6091 R C -0.838 175.484 176.300 0.036 0.000 1.075 6091 R CA -0.436 55.698 56.100 0.057 0.000 1.005 6091 R CB 0.948 31.273 30.300 0.041 0.000 0.987 6091 R HN 0.523 nan 8.270 nan 0.000 0.452 6092 I N 4.441 125.030 120.570 0.032 0.000 2.411 6092 I HA 0.517 4.687 4.170 0.000 0.000 0.284 6092 I C -0.576 175.553 176.117 0.019 0.000 1.012 6092 I CA -0.083 61.229 61.300 0.021 0.000 1.119 6092 I CB 1.525 39.533 38.000 0.014 0.000 1.261 6092 I HN 0.726 nan 8.210 nan 0.000 0.448 6093 G N 4.213 113.025 108.800 0.020 0.000 3.042 6093 G HA2 0.733 4.693 3.960 0.000 0.000 0.278 6093 G HA3 0.733 4.693 3.960 0.000 0.000 0.278 6093 G C -0.924 173.989 174.900 0.022 0.000 1.371 6093 G CA -0.341 44.771 45.100 0.019 0.000 1.009 6093 G HN 0.607 nan 8.290 nan 0.000 0.523 6094 T N -3.067 111.502 114.554 0.025 0.000 2.940 6094 T HA 0.744 5.094 4.350 0.000 0.000 0.288 6094 T C -0.461 174.265 174.700 0.043 0.000 1.033 6094 T CA -0.704 61.415 62.100 0.032 0.000 1.033 6094 T CB 2.079 70.966 68.868 0.031 0.000 1.079 6094 T HN 0.796 nan 8.240 nan 0.000 0.496 6095 T N -0.308 114.273 114.554 0.045 0.000 2.885 6095 T HA 0.630 4.980 4.350 0.000 0.000 0.322 6095 T C -0.483 174.243 174.700 0.044 0.000 1.387 6095 T CA -0.435 61.692 62.100 0.046 0.000 1.041 6095 T CB 1.273 70.160 68.868 0.033 0.000 1.287 6095 T HN 1.163 nan 8.240 nan 0.000 0.491 6096 G N 1.936 110.765 108.800 0.049 0.000 2.329 6096 G HA2 0.623 4.583 3.960 0.000 0.000 0.309 6096 G HA3 0.623 4.583 3.960 0.000 0.000 0.309 6096 G C 0.130 175.047 174.900 0.029 0.000 1.110 6096 G CA -0.180 44.946 45.100 0.043 0.000 0.923 6096 G HN 0.992 nan 8.290 nan 0.000 0.430 6097 A N 2.332 125.151 122.820 -0.002 0.000 2.425 6097 A HA 0.506 4.826 4.320 0.000 0.000 0.249 6097 A C 1.139 178.693 177.584 -0.050 0.000 1.084 6097 A CA -0.350 51.661 52.037 -0.044 0.000 0.781 6097 A CB 0.222 19.189 19.000 -0.054 0.000 1.019 6097 A HN 1.268 nan 8.150 nan 0.000 0.490 6098 I N -1.992 118.520 120.570 -0.096 0.000 4.154 6098 I HA 0.240 4.410 4.170 0.000 0.000 0.334 6098 I C -0.204 175.865 176.117 -0.079 0.000 1.371 6098 I CA -0.297 60.952 61.300 -0.086 0.000 1.110 6098 I CB 0.204 38.109 38.000 -0.158 0.000 1.085 6098 I HN 0.340 nan 8.210 nan 0.000 0.398 6099 Q N 2.835 122.576 119.800 -0.099 0.000 2.271 6099 Q HA 0.380 4.720 4.340 0.000 0.000 0.258 6099 Q C -1.822 174.092 176.000 -0.144 0.000 0.936 6099 Q CA -2.125 53.614 55.803 -0.106 0.000 0.909 6099 Q CB 1.860 30.534 28.738 -0.107 0.000 1.253 6099 Q HN 0.042 nan 8.270 nan 0.000 0.440 6100 P HA -0.138 nan 4.420 nan 0.000 0.220 6100 P C 0.360 177.415 177.300 -0.409 0.000 1.148 6100 P CA 1.454 64.341 63.100 -0.355 0.000 0.803 6100 P CB 0.369 31.751 31.700 -0.530 0.000 0.782 6101 H N -1.126 117.919 119.070 -0.042 0.000 2.520 6101 H HA 0.304 4.860 4.556 0.000 0.000 0.284 6101 H C 0.877 176.177 175.328 -0.047 0.000 1.037 6101 H CA -0.341 55.691 56.048 -0.026 0.000 1.168 6101 H CB 0.101 29.860 29.762 -0.005 0.000 1.497 6101 H HN 0.217 nan 8.280 nan 0.000 0.547 6102 I N 2.078 122.616 120.570 -0.054 0.000 2.371 6102 I HA 0.003 4.173 4.170 0.000 0.000 0.290 6102 I C 0.576 176.690 176.117 -0.005 0.000 1.028 6102 I CA -0.404 60.840 61.300 -0.094 0.000 1.345 6102 I CB 0.731 38.595 38.000 -0.227 0.000 1.407 6102 I HN 0.003 nan 8.210 nan 0.000 0.501 6103 N N 5.284 124.017 118.700 0.055 0.000 2.509 6103 N HA 0.215 4.955 4.740 0.000 0.000 0.287 6103 N C -0.584 174.948 175.510 0.036 0.000 1.121 6103 N CA -0.398 52.679 53.050 0.046 0.000 0.977 6103 N CB 1.398 39.922 38.487 0.061 0.000 1.167 6103 N HN 0.264 nan 8.380 nan 0.000 0.476 6104 V N 2.689 122.615 119.914 0.020 0.000 2.644 6104 V HA 0.191 4.311 4.120 0.000 0.000 0.305 6104 V C 1.616 177.717 176.094 0.011 0.000 1.053 6104 V CA 1.756 64.065 62.300 0.016 0.000 1.186 6104 V CB 0.119 31.947 31.823 0.009 0.000 0.895 6104 V HN 1.025 nan 8.190 nan 0.000 0.490 6105 G N 3.736 112.543 108.800 0.012 0.000 2.234 6105 G HA2 -0.197 3.763 3.960 0.000 0.000 0.235 6105 G HA3 -0.197 3.763 3.960 0.000 0.000 0.235 6105 G C 0.002 174.918 174.900 0.027 0.000 0.997 6105 G CA 0.073 45.170 45.100 -0.004 0.000 0.623 6105 G HN 0.687 nan 8.290 nan 0.000 0.514 6106 D N 0.318 120.755 120.400 0.062 0.000 2.400 6106 D HA 0.421 5.061 4.640 0.000 0.000 0.238 6106 D C 0.614 176.981 176.300 0.112 0.000 1.157 6106 D CA 0.202 54.270 54.000 0.114 0.000 0.889 6106 D CB 1.479 42.398 40.800 0.199 0.000 1.199 6106 D HN 0.221 nan 8.370 nan 0.000 0.436 6107 V N 2.921 122.903 119.914 0.114 0.000 2.370 6107 V HA 0.281 4.401 4.120 0.000 0.000 0.279 6107 V C 0.126 176.277 176.094 0.095 0.000 1.029 6107 V CA -0.645 61.707 62.300 0.087 0.000 0.870 6107 V CB 0.949 32.810 31.823 0.063 0.000 0.984 6107 V HN 0.264 nan 8.190 nan 0.000 0.451 6108 L N 5.793 127.064 121.223 0.080 0.000 2.305 6108 L HA 0.580 4.920 4.340 0.000 0.000 0.284 6108 L C -0.554 176.341 176.870 0.042 0.000 1.013 6108 L CA -0.729 54.159 54.840 0.079 0.000 0.819 6108 L CB 1.814 43.910 42.059 0.063 0.000 1.227 6108 L HN 0.324 nan 8.230 nan 0.000 0.417 6109 V N 2.163 122.097 119.914 0.035 0.000 2.370 6109 V HA 0.257 4.377 4.120 0.000 0.000 0.279 6109 V C 0.417 176.518 176.094 0.012 0.000 1.029 6109 V CA -0.308 61.999 62.300 0.013 0.000 0.870 6109 V CB 1.624 33.444 31.823 -0.005 0.000 0.984 6109 V HN 0.724 nan 8.190 nan 0.000 0.451 6110 T N 3.643 118.200 114.554 0.005 0.000 2.743 6110 T HA 0.189 4.539 4.350 0.000 0.000 0.293 6110 T C 1.356 176.057 174.700 0.002 0.000 0.945 6110 T CA 0.166 62.266 62.100 0.000 0.000 1.030 6110 T CB 1.186 70.051 68.868 -0.005 0.000 0.912 6110 T HN 0.964 nan 8.240 nan 0.000 0.483 6111 T N 0.820 115.377 114.554 0.005 0.000 2.896 6111 T HA 0.438 4.788 4.350 0.000 0.000 0.263 6111 T C 0.739 175.447 174.700 0.013 0.000 1.050 6111 T CA 0.320 62.429 62.100 0.015 0.000 1.140 6111 T CB 0.132 69.013 68.868 0.023 0.000 0.877 6111 T HN 0.773 nan 8.240 nan 0.000 0.457 6112 A N -0.081 122.739 122.820 -0.001 0.000 2.597 6112 A HA 0.656 4.976 4.320 0.000 0.000 0.292 6112 A C -1.044 176.523 177.584 -0.028 0.000 1.057 6112 A CA -0.853 51.180 52.037 -0.007 0.000 0.674 6112 A CB 1.183 20.178 19.000 -0.009 0.000 1.278 6112 A HN 0.205 nan 8.150 nan 0.000 0.416 6113 S N -0.152 115.529 115.700 -0.031 0.000 2.503 6113 S HA 0.585 5.055 4.470 0.000 0.000 0.301 6113 S C -0.309 174.238 174.600 -0.088 0.000 1.087 6113 S CA -0.569 57.593 58.200 -0.063 0.000 1.042 6113 S CB 1.674 64.848 63.200 -0.044 0.000 1.043 6113 S HN 0.923 nan 8.310 nan 0.000 0.489 6114 V N 3.464 123.273 119.914 -0.176 0.000 2.479 6114 V HA 0.144 4.264 4.120 0.000 0.000 0.281 6114 V C 0.632 176.634 176.094 -0.152 0.000 1.031 6114 V CA 0.057 62.209 62.300 -0.247 0.000 1.038 6114 V CB -0.269 31.194 31.823 -0.600 0.000 0.981 6114 V HN 0.697 nan 8.190 nan 0.000 0.478 6115 R N 5.403 125.866 120.500 -0.061 0.000 2.893 6115 R HA 0.306 4.646 4.340 0.000 0.000 0.243 6115 R C 0.084 176.413 176.300 0.047 0.000 1.481 6115 R CA -0.115 55.991 56.100 0.010 0.000 1.250 6115 R CB 0.010 30.342 30.300 0.053 0.000 1.213 6115 R HN 0.675 nan 8.270 nan 0.000 0.609 6116 L N 2.166 123.419 121.223 0.050 0.000 2.851 6116 L HA 0.127 4.467 4.340 0.000 0.000 0.237 6116 L C 0.276 177.226 176.870 0.134 0.000 1.257 6116 L CA -0.226 54.710 54.840 0.161 0.000 1.061 6116 L CB -0.658 41.529 42.059 0.213 0.000 1.372 6116 L HN 0.519 nan 8.230 nan 0.000 0.493 6117 D N -1.435 119.020 120.400 0.093 0.000 2.525 6117 D HA 0.322 4.962 4.640 0.000 0.000 0.249 6117 D C 0.708 177.056 176.300 0.081 0.000 1.072 6117 D CA -0.360 53.681 54.000 0.069 0.000 1.067 6117 D CB 1.917 42.741 40.800 0.040 0.000 1.282 6117 D HN -0.073 nan 8.370 nan 0.000 0.587 6118 G N -1.140 107.691 108.800 0.053 0.000 2.747 6118 G HA2 0.240 4.200 3.960 0.000 0.000 0.202 6118 G HA3 0.240 4.200 3.960 0.000 0.000 0.202 6118 G C 1.278 176.180 174.900 0.002 0.000 1.090 6118 G CA 0.596 45.731 45.100 0.059 0.000 0.779 6118 G HN 0.614 nan 8.290 nan 0.000 0.535 6119 A N 1.826 124.594 122.820 -0.086 0.000 1.930 6119 A HA -0.005 4.315 4.320 0.000 0.000 0.217 6119 A C 2.680 180.336 177.584 0.119 0.000 1.175 6119 A CA 2.398 54.332 52.037 -0.171 0.000 0.627 6119 A CB -0.715 18.244 19.000 -0.068 0.000 0.815 6119 A HN 0.722 nan 8.150 nan 0.000 0.443 6120 S N 0.417 116.213 115.700 0.160 0.000 2.387 6120 S HA -0.165 4.305 4.470 0.000 0.000 0.230 6120 S C 1.712 176.462 174.600 0.250 0.000 1.035 6120 S CA 1.622 59.960 58.200 0.229 0.000 1.014 6120 S CB -0.815 62.466 63.200 0.135 0.000 0.836 6120 S HN 0.456 nan 8.310 nan 0.000 0.466 6121 L N 0.813 122.161 121.223 0.208 0.000 2.362 6121 L HA 0.004 4.344 4.340 0.000 0.000 0.219 6121 L C 2.357 179.316 176.870 0.148 0.000 1.134 6121 L CA 1.043 55.989 54.840 0.177 0.000 0.807 6121 L CB -0.725 41.434 42.059 0.167 0.000 0.927 6121 L HN 0.495 nan 8.230 nan 0.000 0.447 6122 H N -1.697 117.310 119.070 -0.105 0.000 2.555 6122 H HA 0.011 4.567 4.556 0.000 0.000 0.269 6122 H C 1.292 176.258 175.328 -0.602 0.000 0.988 6122 H CA 0.648 56.483 56.048 -0.355 0.000 1.178 6122 H CB 0.377 29.856 29.762 -0.471 0.000 1.373 6122 H HN 0.365 nan 8.280 nan 0.000 0.588 6123 F N -0.335 119.638 119.950 0.038 0.000 2.667 6123 F HA 0.428 4.955 4.527 0.000 0.000 0.288 6123 F C 0.856 176.567 175.800 -0.148 0.000 1.086 6123 F CA -0.040 57.923 58.000 -0.063 0.000 1.297 6123 F CB 1.024 39.970 39.000 -0.090 0.000 1.059 6123 F HN -0.045 nan 8.300 nan 0.000 0.624 6124 A N 0.542 123.386 122.820 0.039 0.000 2.547 6124 A HA 0.621 4.941 4.320 0.000 0.000 0.297 6124 A C -2.782 174.826 177.584 0.040 0.000 1.056 6124 A CA -1.440 50.551 52.037 -0.077 0.000 0.688 6124 A CB 0.718 19.486 19.000 -0.386 0.000 1.282 6124 A HN -0.175 nan 8.150 nan 0.000 0.400 6125 P HA 0.112 nan 4.420 nan 0.000 0.271 6125 P C 0.838 178.218 177.300 0.133 0.000 1.244 6125 P CA -0.234 62.917 63.100 0.085 0.000 0.793 6125 P CB 0.462 32.208 31.700 0.075 0.000 0.984 6126 M N 1.166 120.832 119.600 0.110 0.000 2.202 6126 M HA -0.177 4.303 4.480 0.000 0.000 0.262 6126 M C 1.723 178.098 176.300 0.125 0.000 1.063 6126 M CA 1.704 57.073 55.300 0.115 0.000 1.097 6126 M CB -1.114 31.540 32.600 0.089 0.000 1.382 6126 M HN 0.342 nan 8.290 nan 0.000 0.413 6127 E N -0.868 119.404 120.200 0.120 0.000 2.268 6127 E HA -0.178 4.172 4.350 0.000 0.000 0.195 6127 E C 0.443 177.111 176.600 0.114 0.000 0.995 6127 E CA 0.330 56.789 56.400 0.099 0.000 0.836 6127 E CB -1.124 28.622 29.700 0.077 0.000 0.763 6127 E HN 0.493 nan 8.360 nan 0.000 0.491 6128 F N 4.571 124.542 119.950 0.035 0.000 2.538 6128 F HA 0.158 4.685 4.527 -0.000 0.000 0.371 6128 F C -1.933 173.885 175.800 0.030 0.000 1.087 6128 F CA -2.513 55.508 58.000 0.034 0.000 1.250 6128 F CB 0.579 39.605 39.000 0.044 0.000 1.110 6128 F HN -0.167 nan 8.300 nan 0.000 0.570 6129 P HA 0.136 nan 4.420 nan 0.000 0.276 6129 P C -1.160 176.174 177.300 0.057 0.000 1.235 6129 P CA -0.361 62.664 63.100 -0.124 0.000 0.772 6129 P CB 1.148 32.707 31.700 -0.236 0.000 0.871 6130 A N 4.089 126.966 122.820 0.095 0.000 3.048 6130 A HA 0.243 4.563 4.320 0.000 0.000 0.264 6130 A C 0.304 177.919 177.584 0.053 0.000 1.796 6130 A CA -0.304 51.796 52.037 0.105 0.000 1.445 6130 A CB -0.972 18.067 19.000 0.064 0.000 1.074 6130 A HN 0.474 nan 8.150 nan 0.000 0.621 6131 V N 1.773 121.721 119.914 0.055 0.000 2.472 6131 V HA 0.687 4.807 4.120 0.000 0.000 0.290 6131 V C 0.663 176.788 176.094 0.052 0.000 1.037 6131 V CA -0.232 62.085 62.300 0.029 0.000 0.908 6131 V CB 1.323 33.141 31.823 -0.007 0.000 0.985 6131 V HN 0.901 nan 8.190 nan 0.000 0.454 6132 A N 4.326 127.172 122.820 0.043 0.000 2.366 6132 A HA 0.353 4.673 4.320 0.000 0.000 0.249 6132 A C 0.121 177.748 177.584 0.073 0.000 1.084 6132 A CA -0.101 51.965 52.037 0.049 0.000 0.794 6132 A CB 0.083 19.102 19.000 0.031 0.000 1.034 6132 A HN 1.048 nan 8.150 nan 0.000 0.491 6133 D N 0.028 120.473 120.400 0.075 0.000 2.424 6133 D HA 0.104 4.744 4.640 0.000 0.000 0.244 6133 D C 0.675 177.041 176.300 0.110 0.000 1.134 6133 D CA 0.004 54.065 54.000 0.100 0.000 0.881 6133 D CB 0.161 41.012 40.800 0.086 0.000 1.191 6133 D HN 0.388 nan 8.370 nan 0.000 0.445 6134 F N 4.010 123.970 119.950 0.015 0.000 2.134 6134 F HA -0.096 4.431 4.527 0.000 0.000 0.299 6134 F C 2.040 177.845 175.800 0.009 0.000 1.097 6134 F CA 1.741 59.746 58.000 0.009 0.000 1.264 6134 F CB -0.364 38.639 39.000 0.006 0.000 1.001 6134 F HN 0.493 nan 8.300 nan 0.000 0.479 6135 A N -0.576 122.253 122.820 0.015 0.000 1.902 6135 A HA -0.199 4.121 4.320 0.000 0.000 0.217 6135 A C 2.338 179.846 177.584 -0.128 0.000 1.181 6135 A CA 1.765 53.754 52.037 -0.081 0.000 0.623 6135 A CB -1.654 17.370 19.000 0.039 0.000 0.818 6135 A HN 0.572 nan 8.150 nan 0.000 0.443 6136 C N -1.172 118.088 119.300 -0.067 0.000 2.453 6136 C HA -0.063 4.397 4.460 0.000 0.000 0.277 6136 C C 3.046 177.979 174.990 -0.095 0.000 1.262 6136 C CA 1.486 60.471 59.018 -0.055 0.000 1.718 6136 C CB -1.483 26.255 27.740 -0.003 0.000 2.031 6136 C HN 0.646 nan 8.230 nan 0.000 0.480 6137 T N 0.686 115.165 114.554 -0.124 0.000 2.708 6137 T HA -0.170 4.180 4.350 0.000 0.000 0.266 6137 T C 1.801 176.376 174.700 -0.209 0.000 1.037 6137 T CA 2.193 64.210 62.100 -0.138 0.000 1.146 6137 T CB -0.596 68.203 68.868 -0.115 0.000 0.865 6137 T HN 0.586 nan 8.240 nan 0.000 0.435 6138 T N 2.110 116.440 114.554 -0.373 0.000 2.684 6138 T HA -0.096 4.254 4.350 0.000 0.000 0.267 6138 T C 2.411 176.990 174.700 -0.201 0.000 1.036 6138 T CA 1.324 63.200 62.100 -0.373 0.000 1.148 6138 T CB -0.667 67.850 68.868 -0.584 0.000 0.863 6138 T HN 0.450 nan 8.240 nan 0.000 0.436 6139 A N 1.082 123.805 122.820 -0.163 0.000 1.908 6139 A HA -0.044 4.276 4.320 0.000 0.000 0.218 6139 A C 2.332 179.867 177.584 -0.082 0.000 1.181 6139 A CA 1.368 53.345 52.037 -0.100 0.000 0.627 6139 A CB -0.905 18.050 19.000 -0.076 0.000 0.818 6139 A HN 0.485 nan 8.150 nan 0.000 0.445 6140 L N -0.726 120.448 121.223 -0.081 0.000 2.017 6140 L HA -0.161 4.179 4.340 0.000 0.000 0.208 6140 L C 2.552 179.384 176.870 -0.064 0.000 1.073 6140 L CA 1.159 55.962 54.840 -0.062 0.000 0.745 6140 L CB -0.541 41.489 42.059 -0.049 0.000 0.894 6140 L HN 0.256 nan 8.230 nan 0.000 0.432 6141 V N -0.285 119.582 119.914 -0.078 0.000 2.358 6141 V HA -0.258 3.862 4.120 0.000 0.000 0.246 6141 V C 2.317 178.370 176.094 -0.067 0.000 1.047 6141 V CA 1.789 64.047 62.300 -0.070 0.000 1.035 6141 V CB -0.465 31.311 31.823 -0.078 0.000 0.658 6141 V HN 0.451 nan 8.190 nan 0.000 0.452 6142 E N 0.143 120.299 120.200 -0.074 0.000 2.152 6142 E HA -0.111 4.239 4.350 0.000 0.000 0.192 6142 E C 2.288 178.853 176.600 -0.058 0.000 0.983 6142 E CA 1.083 57.445 56.400 -0.063 0.000 0.818 6142 E CB -0.258 29.403 29.700 -0.064 0.000 0.758 6142 E HN 0.601 nan 8.360 nan 0.000 0.467 6143 A N 1.446 124.230 122.820 -0.061 0.000 1.930 6143 A HA -0.045 4.275 4.320 0.000 0.000 0.217 6143 A C 2.368 179.910 177.584 -0.070 0.000 1.175 6143 A CA 1.427 53.428 52.037 -0.061 0.000 0.627 6143 A CB -0.442 18.523 19.000 -0.057 0.000 0.815 6143 A HN 0.279 nan 8.150 nan 0.000 0.443 6144 A N 0.978 123.757 122.820 -0.068 0.000 1.902 6144 A HA -0.148 4.172 4.320 0.000 0.000 0.217 6144 A C 2.010 179.549 177.584 -0.074 0.000 1.181 6144 A CA 2.163 54.156 52.037 -0.074 0.000 0.623 6144 A CB -0.404 18.561 19.000 -0.059 0.000 0.818 6144 A HN 0.627 nan 8.150 nan 0.000 0.443 6145 K N -0.387 119.976 120.400 -0.062 0.000 2.217 6145 K HA 0.116 4.436 4.320 0.000 0.000 0.202 6145 K C 1.629 178.197 176.600 -0.053 0.000 1.051 6145 K CA 1.681 57.936 56.287 -0.054 0.000 0.952 6145 K CB -0.682 31.791 32.500 -0.045 0.000 0.736 6145 K HN 0.175 nan 8.250 nan 0.000 0.453 6146 S N 0.966 116.632 115.700 -0.057 0.000 2.399 6146 S HA -0.025 4.445 4.470 0.000 0.000 0.231 6146 S C 1.696 176.258 174.600 -0.063 0.000 1.022 6146 S CA 1.359 59.527 58.200 -0.053 0.000 0.983 6146 S CB -0.456 62.713 63.200 -0.052 0.000 0.803 6146 S HN 0.635 nan 8.310 nan 0.000 0.480 6147 I N -2.221 118.296 120.570 -0.089 0.000 3.956 6147 I HA 0.491 4.661 4.170 0.000 0.000 0.333 6147 I C 1.065 177.115 176.117 -0.111 0.000 1.302 6147 I CA 0.257 61.486 61.300 -0.118 0.000 1.122 6147 I CB -0.196 37.691 38.000 -0.189 0.000 1.013 6147 I HN 0.212 nan 8.210 nan 0.000 0.405 6148 G N 1.844 110.598 108.800 -0.077 0.000 2.198 6148 G HA2 -0.235 3.725 3.960 0.000 0.000 0.260 6148 G HA3 -0.235 3.725 3.960 0.000 0.000 0.260 6148 G C 0.409 175.298 174.900 -0.018 0.000 1.025 6148 G CA 0.157 45.232 45.100 -0.042 0.000 0.769 6148 G HN 0.977 nan 8.290 nan 0.000 0.507 6149 A N -0.178 122.613 122.820 -0.048 0.000 2.407 6149 A HA 0.657 4.977 4.320 0.000 0.000 0.248 6149 A C 0.966 178.564 177.584 0.025 0.000 1.082 6149 A CA 0.852 52.916 52.037 0.046 0.000 0.785 6149 A CB 0.352 19.358 19.000 0.009 0.000 1.020 6149 A HN 0.877 nan 8.150 nan 0.000 0.489 6150 T N 2.944 117.528 114.554 0.051 0.000 2.761 6150 T HA 0.384 4.734 4.350 0.000 0.000 0.287 6150 T C 0.093 174.739 174.700 -0.089 0.000 0.931 6150 T CA 0.668 62.746 62.100 -0.036 0.000 1.164 6150 T CB -0.279 68.592 68.868 0.004 0.000 0.876 6150 T HN 0.635 nan 8.240 nan 0.000 0.534 6151 T N 4.537 118.957 114.554 -0.223 0.000 2.861 6151 T HA 0.402 4.752 4.350 0.000 0.000 0.287 6151 T C -0.665 173.794 174.700 -0.401 0.000 1.003 6151 T CA -0.812 61.172 62.100 -0.193 0.000 0.977 6151 T CB 1.082 69.892 68.868 -0.097 0.000 0.996 6151 T HN 0.548 nan 8.240 nan 0.000 0.448 6152 H N 0.850 119.926 119.070 0.011 0.000 2.538 6152 H HA 0.607 5.163 4.556 0.000 0.000 0.353 6152 H C -1.013 174.315 175.328 0.000 0.000 1.109 6152 H CA -0.589 55.463 56.048 0.007 0.000 1.192 6152 H CB 2.036 31.804 29.762 0.011 0.000 1.555 6152 H HN 0.270 nan 8.280 nan 0.000 0.518 6153 V N 1.983 121.960 119.914 0.104 0.000 2.540 6153 V HA 0.703 4.823 4.120 0.000 0.000 0.302 6153 V C 0.503 176.627 176.094 0.051 0.000 1.035 6153 V CA -0.114 62.218 62.300 0.053 0.000 0.873 6153 V CB 1.433 33.269 31.823 0.022 0.000 0.992 6153 V HN 1.122 nan 8.190 nan 0.000 0.428 6154 G N 3.258 112.077 108.800 0.031 0.000 2.404 6154 G HA2 0.322 4.282 3.960 0.000 0.000 0.253 6154 G HA3 0.322 4.282 3.960 0.000 0.000 0.253 6154 G C -1.392 173.507 174.900 -0.002 0.000 1.253 6154 G CA -0.347 44.764 45.100 0.019 0.000 0.917 6154 G HN 0.542 nan 8.290 nan 0.000 0.480 6155 V N 0.843 120.747 119.914 -0.016 0.000 2.607 6155 V HA 0.656 4.776 4.120 0.000 0.000 0.289 6155 V C 0.253 176.301 176.094 -0.077 0.000 1.053 6155 V CA -0.011 62.263 62.300 -0.043 0.000 0.996 6155 V CB 1.378 33.175 31.823 -0.044 0.000 0.995 6155 V HN 0.791 nan 8.190 nan 0.000 0.476 6156 T N 3.519 118.015 114.554 -0.097 0.000 2.824 6156 T HA 0.624 4.974 4.350 0.000 0.000 0.282 6156 T C -0.085 174.502 174.700 -0.188 0.000 0.993 6156 T CA -0.288 61.738 62.100 -0.123 0.000 0.967 6156 T CB 1.596 70.423 68.868 -0.068 0.000 0.960 6156 T HN 0.913 nan 8.240 nan 0.000 0.441 6157 A N 2.447 125.104 122.820 -0.272 0.000 2.354 6157 A HA 0.596 4.916 4.320 0.000 0.000 0.281 6157 A C 0.440 177.983 177.584 -0.068 0.000 1.174 6157 A CA -0.375 51.471 52.037 -0.319 0.000 0.828 6157 A CB 0.263 18.927 19.000 -0.561 0.000 1.099 6157 A HN 0.634 nan 8.150 nan 0.000 0.516 6158 S N 2.089 117.746 115.700 -0.072 0.000 2.520 6158 S HA 0.510 4.980 4.470 0.000 0.000 0.324 6158 S C -0.123 174.473 174.600 -0.006 0.000 1.069 6158 S CA -0.342 57.848 58.200 -0.016 0.000 1.121 6158 S CB 0.381 63.567 63.200 -0.024 0.000 0.971 6158 S HN 0.958 nan 8.310 nan 0.000 0.463 6159 S N 3.209 118.899 115.700 -0.017 0.000 2.509 6159 S HA 0.355 4.825 4.470 0.000 0.000 0.297 6159 S C 0.464 175.028 174.600 -0.061 0.000 1.118 6159 S CA -0.606 57.557 58.200 -0.063 0.000 1.074 6159 S CB 1.147 64.229 63.200 -0.198 0.000 1.038 6159 S HN 0.700 nan 8.310 nan 0.000 0.498 6160 D N 1.980 122.355 120.400 -0.042 0.000 2.371 6160 D HA 0.093 4.733 4.640 0.000 0.000 0.221 6160 D C 0.758 177.030 176.300 -0.046 0.000 0.986 6160 D CA 0.855 54.840 54.000 -0.025 0.000 0.899 6160 D CB 0.144 40.952 40.800 0.012 0.000 0.902 6160 D HN 0.716 nan 8.370 nan 0.000 0.530 6161 T N -4.155 110.333 114.554 -0.112 0.000 2.916 6161 T HA 0.298 4.648 4.350 0.000 0.000 0.292 6161 T C 0.532 175.147 174.700 -0.141 0.000 1.055 6161 T CA -0.892 61.153 62.100 -0.092 0.000 1.009 6161 T CB 1.218 70.022 68.868 -0.106 0.000 1.118 6161 T HN -0.114 nan 8.240 nan 0.000 0.497 6162 F N -0.006 119.785 119.950 -0.266 0.000 2.335 6162 F HA 0.183 4.710 4.527 0.000 0.000 0.296 6162 F C 1.071 176.509 175.800 -0.602 0.000 1.091 6162 F CA 0.760 58.482 58.000 -0.465 0.000 1.399 6162 F CB -0.013 38.643 39.000 -0.574 0.000 1.067 6162 F HN 0.690 nan 8.300 nan 0.000 0.520 6163 Y N 0.543 120.790 120.300 -0.088 0.000 2.414 6163 Y HA 0.129 4.679 4.550 -0.000 0.000 0.248 6163 Y C -0.495 175.222 175.900 -0.305 0.000 1.054 6163 Y CA 0.364 58.366 58.100 -0.163 0.000 1.156 6163 Y CB -1.878 36.575 38.460 -0.012 0.000 1.051 6163 Y HN -0.218 nan 8.280 nan 0.000 0.485 6164 P HA -0.076 nan 4.420 nan 0.000 0.217 6164 P C 1.458 178.466 177.300 -0.486 0.000 1.151 6164 P CA 2.122 65.081 63.100 -0.235 0.000 0.828 6164 P CB -0.222 31.407 31.700 -0.118 0.000 0.788 6165 G N -0.056 108.316 108.800 -0.713 0.000 2.509 6165 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 6165 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 6165 G C 1.337 175.747 174.900 -0.818 0.000 1.124 6165 G CA 0.254 44.589 45.100 -1.276 0.000 0.776 6165 G HN 0.368 nan 8.290 nan 0.000 0.547 6166 Q N -0.516 118.830 119.800 -0.757 0.000 2.188 6166 Q HA 0.197 4.537 4.340 0.000 0.000 0.212 6166 Q C 0.040 175.705 176.000 -0.559 0.000 0.846 6166 Q CA -0.279 54.856 55.803 -1.113 0.000 0.989 6166 Q CB 0.458 28.383 28.738 -1.356 0.000 1.114 6166 Q HN 0.587 nan 8.270 nan 0.000 0.488 6167 E N 1.689 121.683 120.200 -0.343 0.000 2.269 6167 E HA -0.239 4.111 4.350 0.000 0.000 0.223 6167 E C -0.915 175.510 176.600 -0.291 0.000 1.244 6167 E CA 0.150 56.394 56.400 -0.261 0.000 0.713 6167 E CB -0.348 29.350 29.700 -0.002 0.000 1.178 6167 E HN 0.336 nan 8.360 nan 0.000 0.370 6168 R N 0.063 120.381 120.500 -0.303 0.000 2.308 6168 R HA 0.192 4.532 4.340 0.000 0.000 0.305 6168 R C 0.320 176.511 176.300 -0.182 0.000 1.053 6168 R CA -0.124 55.897 56.100 -0.132 0.000 0.957 6168 R CB 0.479 30.761 30.300 -0.031 0.000 1.022 6168 R HN 0.219 nan 8.270 nan 0.000 0.461 6169 Y N -0.282 120.053 120.300 0.058 0.000 2.442 6169 Y HA 0.080 4.630 4.550 -0.000 0.000 0.250 6169 Y C 0.215 176.137 175.900 0.038 0.000 1.113 6169 Y CA -0.154 57.971 58.100 0.043 0.000 1.273 6169 Y CB 0.711 39.187 38.460 0.026 0.000 1.138 6169 Y HN 0.453 nan 8.280 nan 0.000 0.522 6170 D N 1.634 122.146 120.400 0.186 0.000 2.608 6170 D HA 0.093 4.733 4.640 0.000 0.000 0.224 6170 D C 0.311 176.648 176.300 0.062 0.000 1.123 6170 D CA 0.357 54.432 54.000 0.124 0.000 1.030 6170 D CB -0.148 40.730 40.800 0.130 0.000 1.093 6170 D HN 0.239 nan 8.370 nan 0.000 0.497 6171 T N -3.426 111.139 114.554 0.019 0.000 2.864 6171 T HA 0.194 4.544 4.350 0.000 0.000 0.289 6171 T C 1.022 175.717 174.700 -0.009 0.000 1.082 6171 T CA -0.877 61.181 62.100 -0.069 0.000 1.009 6171 T CB 0.995 69.800 68.868 -0.104 0.000 1.234 6171 T HN 0.136 nan 8.240 nan 0.000 0.526 6172 Y N 1.486 121.712 120.300 -0.123 0.000 2.114 6172 Y HA -0.206 4.344 4.550 0.000 0.000 0.282 6172 Y C 2.717 178.595 175.900 -0.037 0.000 1.165 6172 Y CA 2.699 60.754 58.100 -0.075 0.000 1.148 6172 Y CB -0.224 38.186 38.460 -0.084 0.000 0.972 6172 Y HN 0.756 nan 8.280 nan 0.000 0.504 6173 S N -1.079 114.520 115.700 -0.168 0.000 2.458 6173 S HA 0.161 4.631 4.470 0.000 0.000 0.223 6173 S C 1.794 176.336 174.600 -0.097 0.000 1.019 6173 S CA 0.549 58.623 58.200 -0.210 0.000 0.937 6173 S CB -0.286 62.879 63.200 -0.057 0.000 0.788 6173 S HN 0.970 nan 8.310 nan 0.000 0.511 6174 G N 1.456 110.243 108.800 -0.022 0.000 2.168 6174 G HA2 -0.281 3.679 3.960 0.000 0.000 0.257 6174 G HA3 -0.281 3.679 3.960 0.000 0.000 0.257 6174 G C 0.092 175.092 174.900 0.166 0.000 0.997 6174 G CA 0.489 45.634 45.100 0.074 0.000 0.708 6174 G HN 0.633 nan 8.290 nan 0.000 0.520 6175 R N -1.236 119.321 120.500 0.095 0.000 2.778 6175 R HA 0.698 5.038 4.340 0.000 0.000 0.277 6175 R C -0.805 175.521 176.300 0.044 0.000 0.977 6175 R CA -0.811 55.360 56.100 0.119 0.000 0.950 6175 R CB 2.462 32.802 30.300 0.066 0.000 1.165 6175 R HN 0.083 nan 8.270 nan 0.000 0.474 6176 V N 2.365 122.321 119.914 0.070 0.000 2.577 6176 V HA 0.167 4.287 4.120 0.000 0.000 0.303 6176 V C 0.038 176.191 176.094 0.097 0.000 1.042 6176 V CA -0.843 61.454 62.300 -0.005 0.000 0.872 6176 V CB 2.023 33.727 31.823 -0.198 0.000 0.998 6176 V HN 0.540 nan 8.190 nan 0.000 0.423 6177 V N 5.888 125.876 119.914 0.124 0.000 3.061 6177 V HA 0.033 4.153 4.120 0.000 0.000 0.306 6177 V C 1.879 178.039 176.094 0.111 0.000 1.118 6177 V CA 0.823 63.199 62.300 0.127 0.000 1.231 6177 V CB 0.852 32.769 31.823 0.157 0.000 0.956 6177 V HN 0.976 nan 8.190 nan 0.000 0.499 6178 R N 3.418 123.953 120.500 0.058 0.000 2.134 6178 R HA -0.239 4.101 4.340 0.000 0.000 0.248 6178 R C 2.330 178.612 176.300 -0.030 0.000 1.143 6178 R CA 2.629 58.741 56.100 0.020 0.000 0.957 6178 R CB -0.375 29.926 30.300 0.001 0.000 0.867 6178 R HN 0.836 nan 8.270 nan 0.000 0.441 6179 R N -0.696 119.743 120.500 -0.101 0.000 2.117 6179 R HA -0.174 4.166 4.340 0.000 0.000 0.243 6179 R C 1.404 177.450 176.300 -0.423 0.000 1.143 6179 R CA 2.009 57.920 56.100 -0.315 0.000 0.968 6179 R CB -0.164 29.842 30.300 -0.491 0.000 0.863 6179 R HN 0.313 nan 8.270 nan 0.000 0.444 6180 F N 0.136 120.103 119.950 0.029 0.000 2.704 6180 F HA 0.262 4.789 4.527 0.000 0.000 0.304 6180 F C 0.384 176.189 175.800 0.008 0.000 1.094 6180 F CA -0.393 57.624 58.000 0.028 0.000 1.275 6180 F CB 0.462 39.479 39.000 0.030 0.000 1.073 6180 F HN -0.299 nan 8.300 nan 0.000 0.586 6181 K N 0.917 121.405 120.400 0.146 0.000 2.436 6181 K HA 0.232 4.552 4.320 0.000 0.000 0.282 6181 K C 1.146 177.791 176.600 0.074 0.000 1.044 6181 K CA 0.842 57.215 56.287 0.143 0.000 1.028 6181 K CB 0.190 32.762 32.500 0.119 0.000 0.919 6181 K HN 0.366 nan 8.250 nan 0.000 0.474 6182 G N 1.933 110.791 108.800 0.097 0.000 2.162 6182 G HA2 -0.353 3.607 3.960 0.000 0.000 0.260 6182 G HA3 -0.353 3.607 3.960 0.000 0.000 0.260 6182 G C 0.976 175.825 174.900 -0.084 0.000 0.976 6182 G CA 0.816 45.924 45.100 0.013 0.000 0.655 6182 G HN 0.688 nan 8.290 nan 0.000 0.533 6183 S N -0.580 115.077 115.700 -0.072 0.000 2.383 6183 S HA 0.010 4.480 4.470 0.000 0.000 0.227 6183 S C 2.271 176.629 174.600 -0.404 0.000 1.026 6183 S CA 1.682 59.693 58.200 -0.315 0.000 0.981 6183 S CB -0.304 62.906 63.200 0.015 0.000 0.818 6183 S HN 0.681 nan 8.310 nan 0.000 0.472 6184 M N 1.362 120.982 119.600 0.033 0.000 2.117 6184 M HA -0.114 4.366 4.480 0.000 0.000 0.262 6184 M C 2.487 178.803 176.300 0.026 0.000 1.065 6184 M CA 1.991 57.396 55.300 0.174 0.000 1.114 6184 M CB -0.269 32.498 32.600 0.279 0.000 1.361 6184 M HN 0.352 nan 8.290 nan 0.000 0.408 6185 E N 0.672 120.859 120.200 -0.022 0.000 2.077 6185 E HA -0.240 4.110 4.350 0.000 0.000 0.193 6185 E C 1.581 178.129 176.600 -0.087 0.000 0.989 6185 E CA 1.831 58.208 56.400 -0.037 0.000 0.800 6185 E CB -0.171 29.509 29.700 -0.033 0.000 0.746 6185 E HN 0.677 nan 8.360 nan 0.000 0.452 6186 E N -0.465 119.605 120.200 -0.216 0.000 2.031 6186 E HA -0.181 4.169 4.350 0.000 0.000 0.193 6186 E C 2.099 178.611 176.600 -0.147 0.000 0.994 6186 E CA 1.617 57.846 56.400 -0.285 0.000 0.800 6186 E CB -0.385 28.989 29.700 -0.542 0.000 0.752 6186 E HN 0.420 nan 8.360 nan 0.000 0.447 6187 W N 1.321 122.622 121.300 0.002 0.000 2.338 6187 W HA -0.202 4.458 4.660 0.000 0.000 0.304 6187 W C 2.596 179.076 176.519 -0.065 0.000 1.212 6187 W CA 0.444 57.764 57.345 -0.041 0.000 1.264 6187 W CB -0.203 29.200 29.460 -0.095 0.000 1.142 6187 W HN 0.189 nan 8.180 nan 0.000 0.512 6188 Q N 0.843 120.721 119.800 0.130 0.000 2.050 6188 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 6188 Q C 2.428 178.451 176.000 0.039 0.000 0.980 6188 Q CA 2.044 57.876 55.803 0.048 0.000 0.840 6188 Q CB -0.445 28.303 28.738 0.016 0.000 0.898 6188 Q HN 0.256 nan 8.270 nan 0.000 0.424 6189 A N 0.411 123.248 122.820 0.028 0.000 1.972 6189 A HA -0.150 4.170 4.320 0.000 0.000 0.219 6189 A C 1.852 179.460 177.584 0.041 0.000 1.169 6189 A CA 1.427 53.477 52.037 0.021 0.000 0.635 6189 A CB -0.415 18.584 19.000 -0.001 0.000 0.810 6189 A HN 0.467 nan 8.150 nan 0.000 0.446 6190 M N -1.171 118.475 119.600 0.077 0.000 2.618 6190 M HA 0.163 4.643 4.480 0.000 0.000 0.240 6190 M C 1.318 177.664 176.300 0.076 0.000 1.123 6190 M CA 0.730 56.088 55.300 0.097 0.000 1.060 6190 M CB 0.149 32.856 32.600 0.178 0.000 1.535 6190 M HN 0.616 nan 8.290 nan 0.000 0.507 6191 G N 0.557 109.391 108.800 0.056 0.000 2.159 6191 G HA2 -0.215 3.745 3.960 0.000 0.000 0.256 6191 G HA3 -0.215 3.745 3.960 0.000 0.000 0.256 6191 G C 0.109 175.017 174.900 0.013 0.000 0.977 6191 G CA -0.111 45.007 45.100 0.031 0.000 0.652 6191 G HN 0.326 nan 8.290 nan 0.000 0.531 6192 V N 1.572 121.499 119.914 0.022 0.000 2.673 6192 V HA 0.172 4.292 4.120 0.000 0.000 0.303 6192 V C 1.858 177.905 176.094 -0.078 0.000 1.046 6192 V CA 1.180 63.458 62.300 -0.038 0.000 1.126 6192 V CB 1.216 33.005 31.823 -0.057 0.000 0.934 6192 V HN 0.401 nan 8.190 nan 0.000 0.487 6193 M N 3.168 122.711 119.600 -0.096 0.000 2.287 6193 M HA 0.102 4.582 4.480 0.000 0.000 0.266 6193 M C 0.594 176.812 176.300 -0.138 0.000 1.079 6193 M CA 0.975 56.214 55.300 -0.103 0.000 1.146 6193 M CB 0.026 32.584 32.600 -0.070 0.000 1.374 6193 M HN 0.965 nan 8.290 nan 0.000 0.435 6194 N N -1.776 116.817 118.700 -0.179 0.000 3.185 6194 N HA 0.157 4.897 4.740 0.000 0.000 0.238 6194 N C -2.013 173.361 175.510 -0.228 0.000 1.451 6194 N CA -0.660 52.288 53.050 -0.170 0.000 0.888 6194 N CB 1.101 39.547 38.487 -0.069 0.000 1.413 6194 N HN -0.126 nan 8.380 nan 0.000 0.511 6195 Y N -0.188 120.067 120.300 -0.075 0.000 2.377 6195 Y HA 0.501 5.051 4.550 -0.000 0.000 0.339 6195 Y C 0.340 176.189 175.900 -0.086 0.000 1.011 6195 Y CA -0.195 57.843 58.100 -0.102 0.000 1.093 6195 Y CB 1.594 39.974 38.460 -0.133 0.000 1.201 6195 Y HN 0.807 nan 8.280 nan 0.000 0.455 6196 E N -0.031 120.236 120.200 0.111 0.000 2.350 6196 E HA 0.536 4.886 4.350 0.000 0.000 0.243 6196 E C -0.914 175.699 176.600 0.023 0.000 0.959 6196 E CA -0.693 55.738 56.400 0.052 0.000 0.883 6196 E CB 1.171 30.893 29.700 0.037 0.000 1.820 6196 E HN 0.429 nan 8.360 nan 0.000 0.441 6197 M N -0.723 118.886 119.600 0.015 0.000 2.268 6197 M HA 0.332 4.812 4.480 0.000 0.000 0.355 6197 M C -0.040 176.259 176.300 -0.001 0.000 0.938 6197 M CA 0.235 55.536 55.300 0.001 0.000 1.025 6197 M CB 0.769 33.373 32.600 0.007 0.000 1.773 6197 M HN 0.467 nan 8.290 nan 0.000 0.613 6198 E N -0.539 119.661 120.200 0.000 0.000 2.467 6198 E HA 0.073 4.423 4.350 0.000 0.000 0.213 6198 E C 1.845 178.436 176.600 -0.014 0.000 0.823 6198 E CA 0.700 57.096 56.400 -0.006 0.000 1.233 6198 E CB 0.351 30.050 29.700 -0.001 0.000 1.233 6198 E HN 0.306 nan 8.360 nan 0.000 0.585 6199 S N 0.857 116.550 115.700 -0.011 0.000 2.383 6199 S HA -0.068 4.402 4.470 0.000 0.000 0.227 6199 S C 2.220 176.809 174.600 -0.018 0.000 1.026 6199 S CA 0.901 59.091 58.200 -0.015 0.000 0.981 6199 S CB -0.273 62.920 63.200 -0.011 0.000 0.818 6199 S HN 0.223 nan 8.310 nan 0.000 0.472 6200 A N 1.936 124.748 122.820 -0.012 0.000 1.883 6200 A HA -0.056 4.264 4.320 0.000 0.000 0.217 6200 A C 2.446 180.031 177.584 0.002 0.000 1.186 6200 A CA 2.216 54.253 52.037 0.001 0.000 0.624 6200 A CB -1.725 17.279 19.000 0.008 0.000 0.822 6200 A HN 0.571 nan 8.150 nan 0.000 0.444 6201 T N 0.064 114.612 114.554 -0.010 0.000 2.643 6201 T HA -0.135 4.215 4.350 0.000 0.000 0.264 6201 T C 1.888 176.513 174.700 -0.126 0.000 1.045 6201 T CA 1.517 63.599 62.100 -0.029 0.000 1.155 6201 T CB -0.511 68.348 68.868 -0.015 0.000 0.863 6201 T HN 0.357 nan 8.240 nan 0.000 0.420 6202 L N 1.107 122.256 121.223 -0.122 0.000 1.971 6202 L HA -0.081 4.259 4.340 0.000 0.000 0.215 6202 L C 2.235 179.009 176.870 -0.159 0.000 1.072 6202 L CA 1.789 56.523 54.840 -0.177 0.000 0.758 6202 L CB -0.744 41.247 42.059 -0.113 0.000 0.889 6202 L HN 0.257 nan 8.230 nan 0.000 0.433 6203 L N -1.377 119.802 121.223 -0.073 0.000 2.056 6203 L HA -0.178 4.162 4.340 0.000 0.000 0.207 6203 L C 2.382 179.251 176.870 -0.001 0.000 1.078 6203 L CA 1.666 56.492 54.840 -0.022 0.000 0.749 6203 L CB -1.178 40.889 42.059 0.014 0.000 0.901 6203 L HN 0.327 nan 8.230 nan 0.000 0.433 6204 T N 0.750 115.303 114.554 -0.002 0.000 2.674 6204 T HA -0.232 4.118 4.350 0.000 0.000 0.265 6204 T C 1.871 176.482 174.700 -0.149 0.000 1.039 6204 T CA 1.988 64.107 62.100 0.032 0.000 1.150 6204 T CB -0.283 68.626 68.868 0.069 0.000 0.864 6204 T HN 0.444 nan 8.240 nan 0.000 0.427 6205 M N 0.310 119.691 119.600 -0.366 0.000 2.213 6205 M HA -0.037 4.443 4.480 0.000 0.000 0.263 6205 M C 2.224 178.250 176.300 -0.456 0.000 1.062 6205 M CA 1.549 56.386 55.300 -0.772 0.000 1.105 6205 M CB -1.080 30.595 32.600 -1.540 0.000 1.385 6205 M HN 0.201 nan 8.290 nan 0.000 0.417 6206 C N 1.282 120.409 119.300 -0.288 0.000 2.500 6206 C HA 0.194 4.654 4.460 0.000 0.000 0.279 6206 C C 3.275 178.247 174.990 -0.030 0.000 1.288 6206 C CA 0.931 59.860 59.018 -0.147 0.000 1.710 6206 C CB -1.113 26.572 27.740 -0.092 0.000 2.052 6206 C HN 0.761 nan 8.230 nan 0.000 0.488 6207 A N 1.032 123.873 122.820 0.035 0.000 2.070 6207 A HA -0.123 4.197 4.320 0.000 0.000 0.220 6207 A C 2.114 179.810 177.584 0.186 0.000 1.159 6207 A CA 2.087 54.222 52.037 0.164 0.000 0.656 6207 A CB -0.566 18.608 19.000 0.290 0.000 0.800 6207 A HN 0.717 nan 8.150 nan 0.000 0.453 6208 S N -2.049 113.632 115.700 -0.033 0.000 2.577 6208 S HA 0.198 4.668 4.470 0.000 0.000 0.219 6208 S C 0.860 175.407 174.600 -0.088 0.000 0.962 6208 S CA 0.171 58.242 58.200 -0.216 0.000 0.921 6208 S CB 0.106 62.921 63.200 -0.642 0.000 0.789 6208 S HN 0.620 nan 8.310 nan 0.000 0.497 6209 Q N 0.245 120.022 119.800 -0.037 0.000 2.057 6209 Q HA 0.336 4.676 4.340 0.000 0.000 0.216 6209 Q C 0.617 176.632 176.000 0.025 0.000 0.788 6209 Q CA 0.047 55.845 55.803 -0.008 0.000 1.053 6209 Q CB 1.082 29.802 28.738 -0.030 0.000 1.210 6209 Q HN 0.625 nan 8.270 nan 0.000 0.455 6210 G N 1.512 110.338 108.800 0.044 0.000 2.198 6210 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 6210 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 6210 G C -0.129 174.813 174.900 0.070 0.000 1.025 6210 G CA 0.271 45.406 45.100 0.059 0.000 0.769 6210 G HN 0.262 nan 8.290 nan 0.000 0.507 6211 L N -0.437 120.832 121.223 0.077 0.000 2.325 6211 L HA 0.625 4.965 4.340 0.000 0.000 0.278 6211 L C 0.956 177.904 176.870 0.131 0.000 1.023 6211 L CA -1.108 53.810 54.840 0.129 0.000 0.811 6211 L CB 1.413 43.579 42.059 0.178 0.000 1.249 6211 L HN 0.059 nan 8.230 nan 0.000 0.431 6212 R N 1.942 122.531 120.500 0.149 0.000 2.297 6212 R HA 0.747 5.087 4.340 0.000 0.000 0.308 6212 R C -0.661 175.742 176.300 0.171 0.000 1.029 6212 R CA -0.468 55.706 56.100 0.124 0.000 0.929 6212 R CB 1.517 31.866 30.300 0.082 0.000 1.046 6212 R HN 0.706 nan 8.270 nan 0.000 0.461 6213 A N 1.508 124.403 122.820 0.125 0.000 2.449 6213 A HA 0.756 5.076 4.320 0.000 0.000 0.302 6213 A C -0.630 176.997 177.584 0.072 0.000 1.048 6213 A CA -0.653 51.458 52.037 0.124 0.000 0.708 6213 A CB 2.094 21.142 19.000 0.080 0.000 1.274 6213 A HN 0.763 nan 8.150 nan 0.000 0.410 6214 G N -0.060 108.779 108.800 0.065 0.000 2.498 6214 G HA2 0.675 4.635 3.960 0.000 0.000 0.312 6214 G HA3 0.675 4.635 3.960 0.000 0.000 0.312 6214 G C -1.061 173.858 174.900 0.031 0.000 1.230 6214 G CA -0.582 44.536 45.100 0.031 0.000 0.968 6214 G HN 1.054 nan 8.290 nan 0.000 0.481 6215 M N 1.802 121.412 119.600 0.016 0.000 2.224 6215 M HA 0.685 5.165 4.480 0.000 0.000 0.281 6215 M C -1.836 174.470 176.300 0.010 0.000 1.025 6215 M CA -0.881 54.428 55.300 0.015 0.000 0.954 6215 M CB 1.855 34.461 32.600 0.010 0.000 1.639 6215 M HN 0.703 nan 8.290 nan 0.000 0.461 6216 V N 4.086 124.007 119.914 0.013 0.000 2.888 6216 V HA 1.043 5.163 4.120 0.000 0.000 0.309 6216 V C -1.762 174.343 176.094 0.019 0.000 1.114 6216 V CA 0.175 62.483 62.300 0.013 0.000 0.940 6216 V CB 2.011 33.838 31.823 0.007 0.000 1.021 6216 V HN 1.244 nan 8.190 nan 0.000 0.426 6217 A N 3.718 126.553 122.820 0.025 0.000 2.549 6217 A HA 0.909 5.229 4.320 0.000 0.000 0.297 6217 A C -0.253 177.354 177.584 0.037 0.000 1.061 6217 A CA -0.135 51.919 52.037 0.028 0.000 0.690 6217 A CB 1.857 20.872 19.000 0.026 0.000 1.287 6217 A HN 1.641 nan 8.150 nan 0.000 0.402 6218 G N 0.125 108.948 108.800 0.037 0.000 2.356 6218 G HA2 0.524 4.484 3.960 0.000 0.000 0.298 6218 G HA3 0.524 4.484 3.960 0.000 0.000 0.298 6218 G C -0.430 174.493 174.900 0.037 0.000 1.145 6218 G CA -0.346 44.780 45.100 0.042 0.000 0.850 6218 G HN 0.914 nan 8.290 nan 0.000 0.487 6219 V N 3.383 123.321 119.914 0.040 0.000 2.470 6219 V HA 0.113 4.233 4.120 0.000 0.000 0.276 6219 V C 1.322 177.432 176.094 0.027 0.000 1.040 6219 V CA 0.165 62.484 62.300 0.032 0.000 1.008 6219 V CB 0.830 32.671 31.823 0.030 0.000 0.990 6219 V HN 0.772 nan 8.190 nan 0.000 0.477 6220 I N 3.225 123.813 120.570 0.030 0.000 4.181 6220 I HA 0.543 4.713 4.170 0.000 0.000 0.331 6220 I C 0.187 176.324 176.117 0.033 0.000 1.312 6220 I CA 0.263 61.582 61.300 0.030 0.000 1.146 6220 I CB 1.128 39.150 38.000 0.037 0.000 1.074 6220 I HN 0.415 nan 8.210 nan 0.000 0.402 6221 V N 1.507 121.439 119.914 0.031 0.000 3.000 6221 V HA 0.428 4.548 4.120 0.000 0.000 0.300 6221 V C -1.775 174.329 176.094 0.016 0.000 1.251 6221 V CA -0.586 61.730 62.300 0.027 0.000 0.972 6221 V CB 2.269 34.114 31.823 0.037 0.000 1.065 6221 V HN 0.342 nan 8.190 nan 0.000 0.431 6222 N N 5.202 123.907 118.700 0.009 0.000 2.457 6222 N HA 0.366 5.106 4.740 0.000 0.000 0.250 6222 N C 0.685 176.197 175.510 0.003 0.000 0.982 6222 N CA -0.529 52.519 53.050 -0.004 0.000 0.941 6222 N CB 1.479 39.956 38.487 -0.017 0.000 1.120 6222 N HN 0.611 nan 8.380 nan 0.000 0.505 6223 R N 1.049 121.556 120.500 0.013 0.000 2.280 6223 R HA -0.039 4.301 4.340 0.000 0.000 0.207 6223 R C 1.470 177.787 176.300 0.028 0.000 1.043 6223 R CA 0.801 56.921 56.100 0.034 0.000 1.006 6223 R CB -0.713 29.637 30.300 0.082 0.000 0.885 6223 R HN 0.678 nan 8.270 nan 0.000 0.467 6224 T N -2.645 111.908 114.554 -0.001 0.000 3.072 6224 T HA -0.060 4.290 4.350 0.000 0.000 0.266 6224 T C 1.542 176.237 174.700 -0.008 0.000 1.127 6224 T CA 0.903 62.995 62.100 -0.012 0.000 1.107 6224 T CB 0.183 69.019 68.868 -0.053 0.000 0.910 6224 T HN 0.253 nan 8.240 nan 0.000 0.513 6225 Q N 0.291 120.090 119.800 -0.001 0.000 2.532 6225 Q HA 0.271 4.611 4.340 0.000 0.000 0.247 6225 Q C 0.608 176.619 176.000 0.017 0.000 0.872 6225 Q CA 0.020 55.825 55.803 0.003 0.000 0.963 6225 Q CB 0.605 29.341 28.738 -0.002 0.000 1.159 6225 Q HN 0.787 nan 8.270 nan 0.000 0.598 6226 Q N -1.129 118.686 119.800 0.024 0.000 2.522 6226 Q HA 0.311 4.651 4.340 0.000 0.000 0.285 6226 Q C -0.586 175.437 176.000 0.038 0.000 0.982 6226 Q CA -0.517 55.308 55.803 0.036 0.000 0.805 6226 Q CB 1.023 29.782 28.738 0.036 0.000 1.457 6226 Q HN -0.052 nan 8.270 nan 0.000 0.394 6227 E N 0.595 120.826 120.200 0.051 0.000 2.112 6227 E HA 0.164 4.514 4.350 0.000 0.000 0.190 6227 E C 0.111 176.734 176.600 0.038 0.000 0.979 6227 E CA 0.827 57.248 56.400 0.034 0.000 0.814 6227 E CB 0.438 30.180 29.700 0.071 0.000 0.762 6227 E HN 0.424 nan 8.360 nan 0.000 0.460 6228 I N 1.316 121.936 120.570 0.084 0.000 2.619 6228 I HA 0.238 4.408 4.170 0.000 0.000 0.292 6228 I C -2.501 173.667 176.117 0.085 0.000 1.100 6228 I CA -2.767 58.606 61.300 0.121 0.000 1.043 6228 I CB 2.341 40.448 38.000 0.179 0.000 1.239 6228 I HN -0.207 nan 8.210 nan 0.000 0.420 6229 P HA 0.111 nan 4.420 nan 0.000 0.270 6229 P C -0.830 176.498 177.300 0.047 0.000 1.223 6229 P CA -0.276 62.855 63.100 0.053 0.000 0.785 6229 P CB 0.315 32.044 31.700 0.047 0.000 0.923 6240 H N 1.997 121.061 119.070 -0.010 0.000 2.299 6240 H HA -0.095 4.461 4.556 0.000 0.000 0.302 6240 H C 2.441 177.763 175.328 -0.010 0.000 1.078 6240 H CA 1.574 57.616 56.048 -0.010 0.000 1.323 6240 H CB 0.174 29.932 29.762 -0.006 0.000 1.381 6240 H HN 0.681 nan 8.280 nan 0.000 0.498 6241 A N 0.575 123.463 122.820 0.113 0.000 1.933 6241 A HA -0.127 4.193 4.320 0.000 0.000 0.218 6241 A C 2.646 180.240 177.584 0.017 0.000 1.175 6241 A CA 1.399 53.464 52.037 0.047 0.000 0.628 6241 A CB -0.728 18.299 19.000 0.046 0.000 0.814 6241 A HN 0.207 nan 8.150 nan 0.000 0.444 6242 V N 0.086 120.011 119.914 0.019 0.000 2.358 6242 V HA -0.259 3.861 4.120 0.000 0.000 0.246 6242 V C 2.425 178.510 176.094 -0.015 0.000 1.047 6242 V CA 2.257 64.556 62.300 -0.001 0.000 1.035 6242 V CB -0.656 31.164 31.823 -0.005 0.000 0.658 6242 V HN 0.532 nan 8.190 nan 0.000 0.452 6243 K N -0.182 120.207 120.400 -0.018 0.000 2.063 6243 K HA -0.138 4.182 4.320 0.000 0.000 0.208 6243 K C 2.065 178.633 176.600 -0.053 0.000 1.048 6243 K CA 1.689 57.950 56.287 -0.042 0.000 0.928 6243 K CB -0.341 32.118 32.500 -0.068 0.000 0.713 6243 K HN 0.392 nan 8.250 nan 0.000 0.442 6244 I N 0.348 120.884 120.570 -0.057 0.000 2.226 6244 I HA -0.256 3.914 4.170 0.000 0.000 0.245 6244 I C 2.365 178.459 176.117 -0.039 0.000 1.100 6244 I CA 0.821 62.088 61.300 -0.056 0.000 1.374 6244 I CB -0.211 37.757 38.000 -0.053 0.000 1.057 6244 I HN -0.016 nan 8.210 nan 0.000 0.413 6245 V N 0.318 120.217 119.914 -0.026 0.000 2.427 6245 V HA -0.203 3.917 4.120 0.000 0.000 0.248 6245 V C 2.358 178.439 176.094 -0.022 0.000 1.051 6245 V CA 1.665 63.954 62.300 -0.018 0.000 1.048 6245 V CB 0.140 31.959 31.823 -0.007 0.000 0.666 6245 V HN 0.210 nan 8.190 nan 0.000 0.456 6246 V N 0.085 119.984 119.914 -0.025 0.000 2.307 6246 V HA -0.205 3.915 4.120 0.000 0.000 0.245 6246 V C 2.525 178.602 176.094 -0.028 0.000 1.045 6246 V CA 2.289 64.573 62.300 -0.025 0.000 1.024 6246 V CB -0.709 31.099 31.823 -0.026 0.000 0.651 6246 V HN 0.679 nan 8.190 nan 0.000 0.449 6247 E N 0.929 121.108 120.200 -0.035 0.000 2.110 6247 E HA -0.182 4.168 4.350 0.000 0.000 0.193 6247 E C 2.078 178.655 176.600 -0.037 0.000 0.988 6247 E CA 1.712 58.089 56.400 -0.038 0.000 0.804 6247 E CB -0.487 29.185 29.700 -0.047 0.000 0.745 6247 E HN 0.505 nan 8.360 nan 0.000 0.458 6248 A N 0.768 123.565 122.820 -0.038 0.000 1.933 6248 A HA -0.023 4.297 4.320 0.000 0.000 0.218 6248 A C 2.455 180.019 177.584 -0.034 0.000 1.175 6248 A CA 1.987 54.000 52.037 -0.040 0.000 0.628 6248 A CB -1.020 17.956 19.000 -0.040 0.000 0.814 6248 A HN 0.396 nan 8.150 nan 0.000 0.444 6249 A N 0.105 122.907 122.820 -0.029 0.000 1.908 6249 A HA -0.202 4.118 4.320 0.000 0.000 0.218 6249 A C 2.197 179.764 177.584 -0.028 0.000 1.181 6249 A CA 1.569 53.589 52.037 -0.028 0.000 0.627 6249 A CB -0.519 18.465 19.000 -0.025 0.000 0.818 6249 A HN 0.580 nan 8.150 nan 0.000 0.445 6250 R N -0.504 119.981 120.500 -0.026 0.000 2.117 6250 R HA -0.160 4.180 4.340 0.000 0.000 0.243 6250 R C 2.140 178.426 176.300 -0.023 0.000 1.143 6250 R CA 1.735 57.821 56.100 -0.023 0.000 0.968 6250 R CB -0.328 29.959 30.300 -0.023 0.000 0.863 6250 R HN 0.553 nan 8.270 nan 0.000 0.444 6251 R N 0.256 120.740 120.500 -0.027 0.000 2.276 6251 R HA 0.054 4.394 4.340 0.000 0.000 0.203 6251 R C 1.424 177.709 176.300 -0.024 0.000 1.017 6251 R CA 0.587 56.671 56.100 -0.027 0.000 1.010 6251 R CB 0.121 30.401 30.300 -0.034 0.000 0.900 6251 R HN 0.208 nan 8.270 nan 0.000 0.469 6252 L N 0.507 121.714 121.223 -0.026 0.000 2.728 6252 L HA 0.246 4.586 4.340 0.000 0.000 0.238 6252 L C 0.419 177.275 176.870 -0.024 0.000 1.143 6252 L CA -0.246 54.580 54.840 -0.024 0.000 0.937 6252 L CB 0.236 42.278 42.059 -0.028 0.000 1.225 6252 L HN 0.033 nan 8.230 nan 0.000 0.507 6253 L N 0.000 121.209 121.223 -0.023 0.000 2.949 6253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 6253 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 6253 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502