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 1zl2_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 0.000 174.589 174.600 -0.019 0.000 1.055 6004 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 6004 S CB 0.000 63.151 63.200 -0.082 0.000 0.593 6005 D N 1.133 121.531 120.400 -0.003 0.000 2.348 6005 D HA 0.163 4.803 4.640 -0.000 0.000 0.211 6005 D C 0.826 177.141 176.300 0.025 0.000 0.998 6005 D CA 1.306 55.312 54.000 0.011 0.000 0.873 6005 D CB 0.501 41.310 40.800 0.014 0.000 0.925 6005 D HN 0.570 nan 8.370 nan 0.000 0.524 6006 V N -2.712 117.214 119.914 0.021 0.000 3.040 6006 V HA 0.378 4.498 4.120 -0.000 0.000 0.312 6006 V C 0.734 176.852 176.094 0.040 0.000 1.115 6006 V CA -1.048 61.284 62.300 0.054 0.000 0.998 6006 V CB 1.665 33.519 31.823 0.052 0.000 1.042 6006 V HN -0.134 nan 8.190 nan 0.000 0.433 6007 F N 0.768 120.678 119.950 -0.067 0.000 2.325 6007 F HA 0.050 4.577 4.527 0.000 0.000 0.299 6007 F C 1.774 177.367 175.800 -0.345 0.000 1.090 6007 F CA 2.260 60.139 58.000 -0.202 0.000 1.392 6007 F CB 0.135 38.984 39.000 -0.250 0.000 1.053 6007 F HN 0.842 nan 8.300 nan 0.000 0.521 6008 H N -1.465 117.572 119.070 -0.056 0.000 2.501 6008 H HA 0.228 4.784 4.556 -0.000 0.000 0.281 6008 H C 1.970 177.243 175.328 -0.092 0.000 0.988 6008 H CA 0.806 56.789 56.048 -0.109 0.000 1.232 6008 H CB -0.189 29.538 29.762 -0.058 0.000 1.455 6008 H HN 0.090 nan 8.280 nan 0.000 0.501 6009 L N -0.010 121.216 121.223 0.005 0.000 2.291 6009 L HA 0.100 4.440 4.340 -0.000 0.000 0.214 6009 L C 1.178 178.153 176.870 0.174 0.000 1.120 6009 L CA 0.761 55.642 54.840 0.070 0.000 0.799 6009 L CB -0.432 41.626 42.059 -0.002 0.000 0.925 6009 L HN 0.546 nan 8.230 nan 0.000 0.446 6010 G N 1.204 110.015 108.800 0.018 0.000 2.273 6010 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.280 6010 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.280 6010 G C -0.111 174.834 174.900 0.075 0.000 1.047 6010 G CA 0.194 45.297 45.100 0.005 0.000 0.869 6010 G HN 0.267 nan 8.290 nan 0.000 0.502 6011 L N -0.426 120.820 121.223 0.039 0.000 2.323 6011 L HA 0.881 5.221 4.340 -0.000 0.000 0.265 6011 L C 0.690 177.568 176.870 0.014 0.000 1.012 6011 L CA -0.583 54.276 54.840 0.031 0.000 0.820 6011 L CB 2.422 44.503 42.059 0.037 0.000 1.334 6011 L HN 0.353 nan 8.230 nan 0.000 0.427 6012 T N -3.596 110.963 114.554 0.009 0.000 2.924 6012 T HA 0.374 4.724 4.350 -0.000 0.000 0.291 6012 T C 0.513 175.217 174.700 0.006 0.000 1.045 6012 T CA -0.932 61.171 62.100 0.005 0.000 1.015 6012 T CB 2.007 70.875 68.868 -0.000 0.000 1.103 6012 T HN 0.529 nan 8.240 nan 0.000 0.496 6013 K N 0.617 121.021 120.400 0.006 0.000 2.152 6013 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 6013 K C 2.008 178.608 176.600 -0.000 0.000 1.048 6013 K CA 1.613 57.903 56.287 0.004 0.000 0.933 6013 K CB -0.316 32.188 32.500 0.005 0.000 0.721 6013 K HN 0.637 nan 8.250 nan 0.000 0.447 6014 N N 1.528 120.226 118.700 -0.002 0.000 2.223 6014 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 6014 N C 1.106 176.611 175.510 -0.008 0.000 1.016 6014 N CA 1.423 54.469 53.050 -0.006 0.000 0.863 6014 N CB -0.028 38.455 38.487 -0.007 0.000 0.983 6014 N HN 0.082 nan 8.380 nan 0.000 0.429 6015 D N -0.381 120.014 120.400 -0.007 0.000 2.218 6015 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 6015 D C 1.504 177.799 176.300 -0.008 0.000 0.976 6015 D CA 0.575 54.568 54.000 -0.011 0.000 0.853 6015 D CB -0.049 40.746 40.800 -0.008 0.000 0.939 6015 D HN 0.289 nan 8.370 nan 0.000 0.481 6016 L N 0.368 121.589 121.223 -0.004 0.000 2.313 6016 L HA 0.009 4.349 4.340 -0.000 0.000 0.214 6016 L C 0.735 177.600 176.870 -0.008 0.000 1.119 6016 L CA 0.557 55.394 54.840 -0.005 0.000 0.809 6016 L CB -0.261 41.793 42.059 -0.008 0.000 0.933 6016 L HN -0.072 nan 8.230 nan 0.000 0.449 6017 Q N -0.089 119.706 119.800 -0.008 0.000 2.453 6017 Q HA -0.261 4.079 4.340 -0.000 0.000 0.294 6017 Q C 1.223 177.218 176.000 -0.009 0.000 1.295 6017 Q CA 0.928 56.726 55.803 -0.008 0.000 0.853 6017 Q CB -2.239 26.494 28.738 -0.007 0.000 1.193 6017 Q HN 0.670 nan 8.270 nan 0.000 0.461 6018 G N -1.946 106.847 108.800 -0.011 0.000 2.179 6018 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 6018 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 6018 G C 0.382 175.269 174.900 -0.021 0.000 0.977 6018 G CA 0.429 45.521 45.100 -0.013 0.000 0.641 6018 G HN 1.276 nan 8.290 nan 0.000 0.533 6019 A N -0.331 122.475 122.820 -0.024 0.000 2.531 6019 A HA 0.560 4.880 4.320 -0.000 0.000 0.236 6019 A C 1.064 178.613 177.584 -0.058 0.000 1.062 6019 A CA 1.429 53.444 52.037 -0.037 0.000 0.760 6019 A CB 0.199 19.179 19.000 -0.034 0.000 0.995 6019 A HN 0.603 nan 8.150 nan 0.000 0.501 6020 Q N 0.696 120.450 119.800 -0.077 0.000 2.140 6020 Q HA 0.321 4.661 4.340 -0.000 0.000 0.227 6020 Q C -0.508 175.387 176.000 -0.174 0.000 0.798 6020 Q CA -0.030 55.710 55.803 -0.105 0.000 0.987 6020 Q CB 0.770 29.466 28.738 -0.070 0.000 1.161 6020 Q HN 0.719 nan 8.270 nan 0.000 0.480 6021 L N 0.670 121.794 121.223 -0.164 0.000 2.365 6021 L HA 0.847 5.187 4.340 -0.000 0.000 0.273 6021 L C -1.753 174.997 176.870 -0.200 0.000 1.000 6021 L CA -0.674 54.043 54.840 -0.205 0.000 0.819 6021 L CB 1.754 43.742 42.059 -0.118 0.000 1.284 6021 L HN -0.062 nan 8.230 nan 0.000 0.418 6022 A N 5.562 128.219 122.820 -0.272 0.000 2.393 6022 A HA 0.710 5.029 4.320 -0.000 0.000 0.306 6022 A C -1.122 176.438 177.584 -0.040 0.000 1.050 6022 A CA -0.528 51.421 52.037 -0.147 0.000 0.724 6022 A CB 1.229 20.125 19.000 -0.174 0.000 1.248 6022 A HN 0.663 nan 8.150 nan 0.000 0.424 6023 I N 2.604 123.182 120.570 0.014 0.000 2.321 6023 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 6023 I C -0.312 175.852 176.117 0.078 0.000 0.998 6023 I CA -0.740 60.584 61.300 0.041 0.000 1.227 6023 I CB 1.790 39.801 38.000 0.019 0.000 1.368 6023 I HN 0.462 nan 8.210 nan 0.000 0.466 6024 V N 5.836 125.813 119.914 0.105 0.000 2.266 6024 V HA 0.517 4.637 4.120 -0.000 0.000 0.271 6024 V C -2.512 173.630 176.094 0.082 0.000 1.032 6024 V CA -1.896 60.476 62.300 0.119 0.000 0.806 6024 V CB 0.497 32.425 31.823 0.175 0.000 1.052 6024 V HN 0.472 nan 8.190 nan 0.000 0.449 6025 P HA 0.327 nan 4.420 nan 0.000 0.278 6025 P C 0.862 178.188 177.300 0.042 0.000 1.258 6025 P CA 0.118 63.240 63.100 0.038 0.000 0.811 6025 P CB 2.092 33.801 31.700 0.016 0.000 1.063 6026 G N 0.067 108.882 108.800 0.025 0.000 2.426 6026 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.214 6026 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.214 6026 G C 0.310 175.209 174.900 -0.001 0.000 1.156 6026 G CA 0.400 45.510 45.100 0.016 0.000 0.802 6026 G HN 0.510 nan 8.290 nan 0.000 0.534 6027 D N 0.318 120.714 120.400 -0.007 0.000 2.295 6027 D HA 0.301 4.941 4.640 -0.000 0.000 0.248 6027 D C -1.478 174.814 176.300 -0.013 0.000 1.154 6027 D CA -2.419 51.569 54.000 -0.020 0.000 0.857 6027 D CB 1.928 42.713 40.800 -0.024 0.000 1.117 6027 D HN -0.069 nan 8.370 nan 0.000 0.468 6028 P HA -0.111 nan 4.420 nan 0.000 0.219 6028 P C 0.466 177.765 177.300 -0.002 0.000 1.146 6028 P CA 1.071 64.175 63.100 0.006 0.000 0.808 6028 P CB 0.257 31.954 31.700 -0.005 0.000 0.779 6029 E N -1.116 119.072 120.200 -0.021 0.000 2.482 6029 E HA -0.066 4.284 4.350 -0.000 0.000 0.196 6029 E C 1.970 178.531 176.600 -0.066 0.000 1.047 6029 E CA 0.167 56.546 56.400 -0.035 0.000 0.869 6029 E CB -0.186 29.495 29.700 -0.031 0.000 0.836 6029 E HN 0.241 nan 8.360 nan 0.000 0.520 6030 R N 0.763 121.225 120.500 -0.063 0.000 2.254 6030 R HA 0.010 4.350 4.340 -0.000 0.000 0.195 6030 R C 1.916 178.140 176.300 -0.125 0.000 0.957 6030 R CA 0.152 56.203 56.100 -0.081 0.000 1.024 6030 R CB 0.313 30.584 30.300 -0.048 0.000 0.952 6030 R HN -0.016 nan 8.270 nan 0.000 0.484 6031 V N 1.391 121.230 119.914 -0.125 0.000 2.255 6031 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 6031 V C 2.255 178.074 176.094 -0.457 0.000 1.051 6031 V CA 2.341 64.535 62.300 -0.176 0.000 1.018 6031 V CB -0.553 31.242 31.823 -0.047 0.000 0.641 6031 V HN 0.462 nan 8.190 nan 0.000 0.445 6032 E N 0.213 119.995 120.200 -0.696 0.000 2.118 6032 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 6032 E C 2.209 178.407 176.600 -0.671 0.000 0.992 6032 E CA 1.519 57.208 56.400 -1.186 0.000 0.804 6032 E CB -0.052 29.119 29.700 -0.882 0.000 0.741 6032 E HN 0.630 nan 8.360 nan 0.000 0.458 6033 K N 0.087 120.260 120.400 -0.378 0.000 2.097 6033 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 6033 K C 2.199 178.678 176.600 -0.201 0.000 1.049 6033 K CA 1.385 57.529 56.287 -0.237 0.000 0.933 6033 K CB -0.089 32.318 32.500 -0.154 0.000 0.717 6033 K HN 0.231 nan 8.250 nan 0.000 0.442 6034 I N 1.097 121.550 120.570 -0.195 0.000 2.233 6034 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 6034 I C 2.520 178.556 176.117 -0.135 0.000 1.093 6034 I CA 0.939 62.161 61.300 -0.131 0.000 1.380 6034 I CB -0.352 37.592 38.000 -0.093 0.000 1.067 6034 I HN 0.130 nan 8.210 nan 0.000 0.413 6035 A N 0.774 123.472 122.820 -0.203 0.000 1.978 6035 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 6035 A C 2.456 179.974 177.584 -0.110 0.000 1.170 6035 A CA 1.752 53.711 52.037 -0.131 0.000 0.636 6035 A CB -0.761 18.145 19.000 -0.157 0.000 0.810 6035 A HN 0.442 nan 8.150 nan 0.000 0.448 6036 A N -0.485 122.221 122.820 -0.190 0.000 2.121 6036 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 6036 A C 1.838 179.381 177.584 -0.068 0.000 1.154 6036 A CA 1.122 53.087 52.037 -0.120 0.000 0.679 6036 A CB -0.482 18.427 19.000 -0.151 0.000 0.795 6036 A HN 0.496 nan 8.150 nan 0.000 0.458 6037 L N -1.348 119.833 121.223 -0.069 0.000 2.591 6037 L HA 0.171 4.511 4.340 -0.000 0.000 0.228 6037 L C 0.885 177.737 176.870 -0.030 0.000 1.133 6037 L CA -0.021 54.789 54.840 -0.050 0.000 0.880 6037 L CB -0.390 41.635 42.059 -0.056 0.000 1.033 6037 L HN 0.411 nan 8.230 nan 0.000 0.450 6038 M N -1.462 118.126 119.600 -0.019 0.000 2.852 6038 M HA 0.342 4.822 4.480 -0.000 0.000 0.301 6038 M C -0.718 175.590 176.300 0.014 0.000 1.229 6038 M CA -0.900 54.399 55.300 -0.002 0.000 0.832 6038 M CB 1.288 33.892 32.600 0.006 0.000 1.726 6038 M HN -0.193 nan 8.290 nan 0.000 0.497 6039 D N 0.947 121.358 120.400 0.018 0.000 2.313 6039 D HA 0.170 4.810 4.640 -0.000 0.000 0.247 6039 D C -0.408 175.917 176.300 0.042 0.000 1.094 6039 D CA 0.002 54.016 54.000 0.024 0.000 0.925 6039 D CB 0.582 41.392 40.800 0.015 0.000 1.188 6039 D HN 0.420 nan 8.370 nan 0.000 0.430 6040 K N -0.297 120.129 120.400 0.044 0.000 3.356 6040 K HA -0.150 4.170 4.320 -0.000 0.000 0.270 6040 K C -2.250 174.405 176.600 0.091 0.000 0.901 6040 K CA 0.122 56.442 56.287 0.054 0.000 0.688 6040 K CB -1.360 31.161 32.500 0.034 0.000 1.460 6040 K HN 0.361 nan 8.250 nan 0.000 0.458 6041 P HA 0.105 nan 4.420 nan 0.000 0.271 6041 P C -0.382 177.095 177.300 0.294 0.000 1.220 6041 P CA -0.047 63.224 63.100 0.286 0.000 0.768 6041 P CB 1.260 33.147 31.700 0.312 0.000 0.848 6042 V N 3.940 123.961 119.914 0.179 0.000 2.686 6042 V HA 0.283 4.403 4.120 -0.000 0.000 0.306 6042 V C 0.395 176.079 176.094 -0.683 0.000 1.065 6042 V CA -0.940 61.231 62.300 -0.214 0.000 0.894 6042 V CB 2.101 33.843 31.823 -0.133 0.000 1.004 6042 V HN 0.497 nan 8.190 nan 0.000 0.424 6043 K N 3.252 122.781 120.400 -1.451 0.000 2.350 6043 K HA 0.422 4.742 4.320 -0.000 0.000 0.279 6043 K C 0.105 176.278 176.600 -0.712 0.000 1.027 6043 K CA -0.199 55.039 56.287 -1.749 0.000 0.969 6043 K CB 0.804 32.400 32.500 -1.507 0.000 0.954 6043 K HN 0.657 nan 8.250 nan 0.000 0.474 6044 L N 2.383 123.321 121.223 -0.474 0.000 2.347 6044 L HA 0.360 4.700 4.340 -0.000 0.000 0.196 6044 L C 0.513 177.287 176.870 -0.161 0.000 1.072 6044 L CA 0.146 54.855 54.840 -0.219 0.000 0.817 6044 L CB 0.311 42.312 42.059 -0.098 0.000 1.029 6044 L HN 0.775 nan 8.230 nan 0.000 0.478 6045 A N -1.074 121.665 122.820 -0.136 0.000 2.540 6045 A HA 0.627 4.947 4.320 -0.000 0.000 0.291 6045 A C -1.268 176.226 177.584 -0.150 0.000 1.083 6045 A CA -0.248 51.701 52.037 -0.147 0.000 0.650 6045 A CB 1.612 20.587 19.000 -0.042 0.000 1.292 6045 A HN -0.131 nan 8.150 nan 0.000 0.435 6046 S N 0.421 115.903 115.700 -0.363 0.000 2.680 6046 S HA 0.612 5.082 4.470 -0.000 0.000 0.262 6046 S C -1.862 172.467 174.600 -0.452 0.000 1.138 6046 S CA -0.478 57.581 58.200 -0.236 0.000 1.072 6046 S CB 0.250 63.380 63.200 -0.116 0.000 1.097 6046 S HN 0.741 nan 8.310 nan 0.000 0.468 6047 H N 3.492 122.634 119.070 0.121 0.000 2.782 6047 H HA 0.560 5.116 4.556 -0.000 0.000 0.347 6047 H C 0.615 176.027 175.328 0.140 0.000 1.038 6047 H CA -0.376 55.742 56.048 0.117 0.000 1.255 6047 H CB 1.569 31.406 29.762 0.126 0.000 1.623 6047 H HN 0.781 nan 8.280 nan 0.000 0.525 6048 R N 0.479 121.077 120.500 0.165 0.000 3.815 6048 R HA -0.220 4.120 4.340 -0.000 0.000 0.470 6048 R C 1.067 177.296 176.300 -0.120 0.000 0.241 6048 R CA 1.822 57.937 56.100 0.024 0.000 1.481 6048 R CB -0.697 29.635 30.300 0.054 0.000 0.988 6048 R HN 0.777 nan 8.270 nan 0.000 0.570 6049 E N 1.888 121.843 120.200 -0.407 0.000 2.445 6049 E HA 0.006 4.356 4.350 -0.000 0.000 0.189 6049 E C -0.165 176.179 176.600 -0.427 0.000 1.069 6049 E CA 0.627 56.771 56.400 -0.426 0.000 0.871 6049 E CB 0.048 29.461 29.700 -0.478 0.000 0.991 6049 E HN 0.357 nan 8.360 nan 0.000 0.481 6050 F N 1.720 121.716 119.950 0.077 0.000 2.309 6050 F HA 0.280 4.807 4.527 -0.000 0.000 0.366 6050 F C 0.217 176.066 175.800 0.081 0.000 1.104 6050 F CA -0.647 57.405 58.000 0.088 0.000 1.179 6050 F CB 1.287 40.359 39.000 0.120 0.000 1.437 6050 F HN -0.300 nan 8.300 nan 0.000 0.528 6051 T N 2.037 116.719 114.554 0.214 0.000 2.767 6051 T HA 0.450 4.800 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 -0.695 61.515 62.100 0.185 0.000 0.996 6051 T CB 1.065 70.029 68.868 0.160 0.000 0.927 6051 T HN 0.533 nan 8.240 nan 0.000 0.456 6052 S N 2.360 118.196 115.700 0.227 0.000 2.526 6052 S HA 0.807 5.277 4.470 -0.000 0.000 0.293 6052 S C -1.601 173.153 174.600 0.256 0.000 1.092 6052 S CA -0.977 57.364 58.200 0.236 0.000 0.980 6052 S CB 1.351 64.638 63.200 0.146 0.000 1.048 6052 S HN 0.670 nan 8.310 nan 0.000 0.483 6053 W N 0.834 122.146 121.300 0.020 0.000 3.031 6053 W HA 0.668 5.328 4.660 -0.000 0.000 0.337 6053 W C -0.012 176.510 176.519 0.005 0.000 1.187 6053 W CA -0.751 56.599 57.345 0.008 0.000 1.166 6053 W CB 2.004 31.466 29.460 0.005 0.000 1.437 6053 W HN 0.814 nan 8.180 nan 0.000 0.551 6054 R N 1.579 122.197 120.500 0.196 0.000 2.711 6054 R HA 0.911 5.251 4.340 -0.000 0.000 0.284 6054 R C -0.841 175.549 176.300 0.152 0.000 0.968 6054 R CA -0.429 55.743 56.100 0.120 0.000 0.924 6054 R CB 1.648 31.971 30.300 0.039 0.000 1.162 6054 R HN 0.620 nan 8.270 nan 0.000 0.465 6055 A N 2.235 125.118 122.820 0.104 0.000 2.567 6055 A HA 0.478 4.798 4.320 -0.000 0.000 0.289 6055 A C -1.632 175.980 177.584 0.046 0.000 1.177 6055 A CA -0.710 51.381 52.037 0.090 0.000 0.694 6055 A CB 1.869 20.924 19.000 0.092 0.000 1.292 6055 A HN 0.731 nan 8.150 nan 0.000 0.425 6056 E N -0.346 119.875 120.200 0.035 0.000 2.222 6056 E HA 0.578 4.928 4.350 -0.000 0.000 0.267 6056 E C -2.201 174.405 176.600 0.010 0.000 0.884 6056 E CA -0.615 55.796 56.400 0.018 0.000 0.764 6056 E CB 1.808 31.517 29.700 0.016 0.000 1.169 6056 E HN 0.482 nan 8.360 nan 0.000 0.413 6057 L N 4.539 125.763 121.223 0.002 0.000 2.404 6057 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 6057 L C -1.164 175.703 176.870 -0.006 0.000 0.980 6057 L CA -0.038 54.800 54.840 -0.003 0.000 0.836 6057 L CB 1.315 43.370 42.059 -0.008 0.000 1.238 6057 L HN 0.642 nan 8.230 nan 0.000 0.408 6058 D N 4.311 124.707 120.400 -0.005 0.000 2.772 6058 D HA -0.182 4.457 4.640 -0.000 0.000 0.233 6058 D C 1.126 177.423 176.300 -0.005 0.000 1.143 6058 D CA 1.684 55.680 54.000 -0.006 0.000 0.700 6058 D CB -1.122 39.673 40.800 -0.008 0.000 1.076 6058 D HN 1.224 nan 8.370 nan 0.000 0.430 6059 G N -0.935 107.864 108.800 -0.003 0.000 2.148 6059 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.254 6059 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.254 6059 G C 0.176 175.074 174.900 -0.003 0.000 0.981 6059 G CA 0.701 45.800 45.100 -0.002 0.000 0.670 6059 G HN 0.444 nan 8.290 nan 0.000 0.528 6060 K N 0.223 120.620 120.400 -0.004 0.000 2.270 6060 K HA 0.709 5.029 4.320 -0.000 0.000 0.255 6060 K C 0.332 176.929 176.600 -0.006 0.000 0.936 6060 K CA -0.145 56.138 56.287 -0.007 0.000 0.809 6060 K CB 2.238 34.731 32.500 -0.011 0.000 1.131 6060 K HN 0.520 nan 8.250 nan 0.000 0.427 6061 A N 2.202 125.019 122.820 -0.006 0.000 2.462 6061 A HA 0.407 4.727 4.320 -0.000 0.000 0.243 6061 A C -0.176 177.402 177.584 -0.009 0.000 1.076 6061 A CA -0.168 51.868 52.037 -0.003 0.000 0.773 6061 A CB 0.304 19.302 19.000 -0.004 0.000 1.010 6061 A HN 0.409 nan 8.150 nan 0.000 0.493 6062 V N 3.596 123.511 119.914 0.001 0.000 2.841 6062 V HA 0.380 4.500 4.120 -0.000 0.000 0.310 6062 V C -0.565 175.537 176.094 0.014 0.000 1.090 6062 V CA -0.655 61.641 62.300 -0.006 0.000 0.930 6062 V CB 1.905 33.725 31.823 -0.005 0.000 1.014 6062 V HN 0.755 nan 8.190 nan 0.000 0.425 6063 I N 3.531 124.102 120.570 0.002 0.000 2.460 6063 I HA 0.555 4.725 4.170 -0.000 0.000 0.298 6063 I C -0.390 175.758 176.117 0.052 0.000 0.989 6063 I CA -0.576 60.745 61.300 0.034 0.000 1.173 6063 I CB 1.974 39.982 38.000 0.014 0.000 1.338 6063 I HN 0.285 nan 8.210 nan 0.000 0.456 6064 V N 5.200 125.176 119.914 0.103 0.000 2.444 6064 V HA 0.434 4.554 4.120 -0.000 0.000 0.294 6064 V C -0.507 175.673 176.094 0.144 0.000 1.022 6064 V CA -0.480 61.880 62.300 0.100 0.000 0.850 6064 V CB 2.106 33.977 31.823 0.079 0.000 0.992 6064 V HN 0.905 nan 8.190 nan 0.000 0.426 6065 C N 4.953 124.334 119.300 0.136 0.000 2.642 6065 C HA 0.701 5.161 4.460 -0.000 0.000 0.344 6065 C C 0.481 175.576 174.990 0.173 0.000 1.110 6065 C CA -0.357 58.765 59.018 0.172 0.000 1.298 6065 C CB 1.194 29.038 27.740 0.173 0.000 1.827 6065 C HN 1.059 nan 8.230 nan 0.000 0.467 6066 S N 3.258 119.067 115.700 0.181 0.000 2.585 6066 S HA 0.404 4.874 4.470 -0.000 0.000 0.273 6066 S C 0.897 175.639 174.600 0.236 0.000 1.339 6066 S CA 0.452 58.742 58.200 0.150 0.000 1.028 6066 S CB 1.305 64.558 63.200 0.090 0.000 0.906 6066 S HN 1.099 nan 8.310 nan 0.000 0.528 6067 T N -1.769 112.884 114.554 0.164 0.000 2.990 6067 T HA 0.542 4.892 4.350 -0.000 0.000 0.250 6067 T C 1.143 175.886 174.700 0.072 0.000 1.041 6067 T CA 0.312 62.542 62.100 0.217 0.000 1.010 6067 T CB -0.781 68.167 68.868 0.133 0.000 1.003 6067 T HN 1.984 nan 8.240 nan 0.000 0.499 6068 G N 1.420 110.197 108.800 -0.037 0.000 2.796 6068 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.571 6068 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.571 6068 G C -0.672 174.198 174.900 -0.050 0.000 1.370 6068 G CA -0.567 44.462 45.100 -0.118 0.000 0.856 6068 G HN 0.606 nan 8.290 nan 0.000 0.538 6069 I N 1.967 122.503 120.570 -0.057 0.000 2.428 6069 I HA 0.531 4.701 4.170 -0.000 0.000 0.289 6069 I C 1.138 177.244 176.117 -0.018 0.000 1.019 6069 I CA 1.026 62.308 61.300 -0.030 0.000 1.351 6069 I CB 0.837 38.814 38.000 -0.038 0.000 1.412 6069 I HN 2.065 nan 8.210 nan 0.000 0.513 6070 G N 3.815 112.612 108.800 -0.005 0.000 2.663 6070 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.686 6070 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.686 6070 G C 0.544 175.445 174.900 0.001 0.000 1.246 6070 G CA -0.448 44.651 45.100 -0.003 0.000 0.795 6070 G HN 0.952 nan 8.290 nan 0.000 0.627 6071 G N 0.366 109.163 108.800 -0.004 0.000 2.418 6071 G HA2 0.077 4.037 3.960 -0.000 0.000 0.217 6071 G HA3 0.077 4.037 3.960 -0.000 0.000 0.217 6071 G C 0.122 175.023 174.900 0.003 0.000 1.158 6071 G CA 2.082 47.178 45.100 -0.006 0.000 0.771 6071 G HN 0.684 nan 8.290 nan 0.000 0.545 6072 P HA -0.111 nan 4.420 nan 0.000 0.214 6072 P C 2.336 179.664 177.300 0.047 0.000 1.163 6072 P CA 1.922 65.024 63.100 0.003 0.000 0.883 6072 P CB -0.123 31.573 31.700 -0.006 0.000 0.788 6073 S N -1.768 113.972 115.700 0.067 0.000 2.382 6073 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 6073 S C 1.918 176.656 174.600 0.229 0.000 1.027 6073 S CA 2.002 60.305 58.200 0.172 0.000 0.991 6073 S CB -1.358 61.867 63.200 0.042 0.000 0.823 6073 S HN 0.137 nan 8.310 nan 0.000 0.469 6074 T N 1.700 116.319 114.554 0.109 0.000 2.746 6074 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 6074 T C 2.187 176.883 174.700 -0.007 0.000 1.039 6074 T CA 1.702 63.839 62.100 0.062 0.000 1.142 6074 T CB -0.585 68.283 68.868 0.001 0.000 0.866 6074 T HN 0.728 nan 8.240 nan 0.000 0.444 6075 S N 1.139 116.839 115.700 -0.001 0.000 2.419 6075 S HA -0.016 4.454 4.470 -0.000 0.000 0.233 6075 S C 2.050 176.644 174.600 -0.010 0.000 1.016 6075 S CA 0.726 58.923 58.200 -0.004 0.000 0.974 6075 S CB -0.703 62.595 63.200 0.162 0.000 0.786 6075 S HN 0.505 nan 8.310 nan 0.000 0.492 6076 I N 1.995 122.549 120.570 -0.028 0.000 2.233 6076 I HA -0.056 4.114 4.170 -0.000 0.000 0.243 6076 I C 3.108 179.090 176.117 -0.226 0.000 1.093 6076 I CA 0.972 62.187 61.300 -0.142 0.000 1.380 6076 I CB -0.716 37.113 38.000 -0.284 0.000 1.067 6076 I HN 0.412 nan 8.210 nan 0.000 0.413 6077 A N 0.629 123.311 122.820 -0.230 0.000 1.865 6077 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 6077 A C 2.424 179.961 177.584 -0.078 0.000 1.191 6077 A CA 2.025 53.938 52.037 -0.207 0.000 0.623 6077 A CB -1.070 17.951 19.000 0.035 0.000 0.826 6077 A HN 0.235 nan 8.150 nan 0.000 0.444 6078 V N 0.172 119.998 119.914 -0.147 0.000 2.295 6078 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 6078 V C 2.632 178.625 176.094 -0.168 0.000 1.049 6078 V CA 2.513 64.603 62.300 -0.351 0.000 1.024 6078 V CB -0.816 30.597 31.823 -0.683 0.000 0.648 6078 V HN 0.776 nan 8.190 nan 0.000 0.447 6079 E N 0.993 121.126 120.200 -0.112 0.000 2.038 6079 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 6079 E C 2.089 178.712 176.600 0.039 0.000 1.000 6079 E CA 2.121 58.513 56.400 -0.013 0.000 0.803 6079 E CB -0.363 29.359 29.700 0.037 0.000 0.750 6079 E HN 0.677 nan 8.360 nan 0.000 0.448 6080 E N -0.087 120.124 120.200 0.018 0.000 2.106 6080 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 6080 E C 2.295 178.936 176.600 0.068 0.000 0.984 6080 E CA 0.995 57.417 56.400 0.037 0.000 0.806 6080 E CB -0.151 29.549 29.700 0.001 0.000 0.750 6080 E HN 0.317 nan 8.360 nan 0.000 0.458 6081 L N 0.529 121.820 121.223 0.113 0.000 2.093 6081 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 6081 L C 2.557 179.543 176.870 0.193 0.000 1.085 6081 L CA 0.843 55.786 54.840 0.172 0.000 0.755 6081 L CB -0.392 41.861 42.059 0.324 0.000 0.904 6081 L HN 0.150 nan 8.230 nan 0.000 0.435 6082 A N -0.532 122.452 122.820 0.274 0.000 1.902 6082 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 6082 A C 2.193 179.845 177.584 0.114 0.000 1.181 6082 A CA 1.444 53.619 52.037 0.230 0.000 0.623 6082 A CB -0.447 18.675 19.000 0.203 0.000 0.818 6082 A HN 0.450 nan 8.150 nan 0.000 0.443 6083 Q N -0.588 119.266 119.800 0.090 0.000 2.170 6083 Q HA -0.067 4.273 4.340 -0.000 0.000 0.203 6083 Q C 1.782 177.812 176.000 0.049 0.000 0.976 6083 Q CA 1.224 57.064 55.803 0.062 0.000 0.858 6083 Q CB -0.280 28.492 28.738 0.057 0.000 0.907 6083 Q HN 0.677 nan 8.270 nan 0.000 0.433 6084 L N -1.317 119.936 121.223 0.050 0.000 2.552 6084 L HA 0.040 4.380 4.340 -0.000 0.000 0.227 6084 L C 1.245 178.126 176.870 0.018 0.000 1.146 6084 L CA 0.675 55.534 54.840 0.031 0.000 0.858 6084 L CB 0.109 42.186 42.059 0.030 0.000 0.969 6084 L HN 0.462 nan 8.230 nan 0.000 0.451 6085 G N -0.646 108.167 108.800 0.022 0.000 2.205 6085 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.180 6085 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.180 6085 G C 0.200 175.081 174.900 -0.032 0.000 1.004 6085 G CA -0.708 44.392 45.100 0.002 0.000 0.670 6085 G HN 0.036 nan 8.290 nan 0.000 0.496 6086 I N 1.278 121.814 120.570 -0.057 0.000 2.556 6086 I HA 0.347 4.517 4.170 -0.000 0.000 0.284 6086 I C 1.287 177.295 176.117 -0.183 0.000 1.114 6086 I CA 0.161 61.329 61.300 -0.220 0.000 1.418 6086 I CB 1.077 38.812 38.000 -0.443 0.000 1.394 6086 I HN 0.082 nan 8.210 nan 0.000 0.552 6087 R N 2.900 123.272 120.500 -0.213 0.000 2.469 6087 R HA 0.199 4.539 4.340 -0.000 0.000 0.250 6087 R C -0.220 176.039 176.300 -0.068 0.000 0.909 6087 R CA 0.212 56.276 56.100 -0.061 0.000 1.050 6087 R CB 0.585 30.873 30.300 -0.021 0.000 1.256 6087 R HN 0.531 nan 8.270 nan 0.000 0.550 6088 T N 1.323 115.716 114.554 -0.269 0.000 2.879 6088 T HA 0.573 4.923 4.350 -0.000 0.000 0.290 6088 T C -1.077 173.413 174.700 -0.351 0.000 0.993 6088 T CA -0.305 61.704 62.100 -0.151 0.000 0.975 6088 T CB 1.243 70.057 68.868 -0.090 0.000 0.981 6088 T HN -0.176 nan 8.240 nan 0.000 0.439 6089 F N 2.569 122.515 119.950 -0.007 0.000 2.507 6089 F HA 0.604 5.131 4.527 0.000 0.000 0.325 6089 F C -0.218 175.578 175.800 -0.007 0.000 1.116 6089 F CA -1.145 56.851 58.000 -0.007 0.000 0.930 6089 F CB 1.419 40.410 39.000 -0.015 0.000 1.146 6089 F HN 0.221 nan 8.300 nan 0.000 0.447 6090 L N 4.143 125.452 121.223 0.144 0.000 2.345 6090 L HA 0.502 4.842 4.340 -0.000 0.000 0.274 6090 L C -0.112 176.809 176.870 0.085 0.000 0.999 6090 L CA -0.662 54.230 54.840 0.085 0.000 0.849 6090 L CB 1.686 43.766 42.059 0.035 0.000 1.220 6090 L HN 0.602 nan 8.230 nan 0.000 0.422 6091 R N 4.242 124.788 120.500 0.076 0.000 2.390 6091 R HA 0.477 4.817 4.340 -0.000 0.000 0.291 6091 R C -0.905 175.418 176.300 0.038 0.000 1.070 6091 R CA -0.397 55.738 56.100 0.058 0.000 1.014 6091 R CB 1.208 31.534 30.300 0.043 0.000 1.007 6091 R HN 0.510 nan 8.270 nan 0.000 0.466 6092 I N 4.754 125.344 120.570 0.033 0.000 2.439 6092 I HA 0.522 4.692 4.170 -0.000 0.000 0.285 6092 I C -0.851 175.279 176.117 0.021 0.000 1.021 6092 I CA -0.047 61.267 61.300 0.023 0.000 1.091 6092 I CB 1.041 39.050 38.000 0.015 0.000 1.242 6092 I HN 0.887 nan 8.210 nan 0.000 0.439 6093 G N 5.166 113.979 108.800 0.022 0.000 3.135 6093 G HA2 0.718 4.678 3.960 -0.000 0.000 0.278 6093 G HA3 0.718 4.678 3.960 -0.000 0.000 0.278 6093 G C -0.916 173.999 174.900 0.024 0.000 1.302 6093 G CA -0.281 44.832 45.100 0.022 0.000 0.880 6093 G HN 0.587 nan 8.290 nan 0.000 0.574 6094 T N -2.978 111.593 114.554 0.029 0.000 2.932 6094 T HA 0.735 5.085 4.350 -0.000 0.000 0.289 6094 T C -0.492 174.232 174.700 0.041 0.000 1.039 6094 T CA -0.601 61.519 62.100 0.035 0.000 1.024 6094 T CB 2.044 70.934 68.868 0.037 0.000 1.090 6094 T HN 0.881 nan 8.240 nan 0.000 0.496 6095 T N -0.471 114.107 114.554 0.041 0.000 2.853 6095 T HA 0.661 5.011 4.350 -0.000 0.000 0.311 6095 T C -0.650 174.071 174.700 0.036 0.000 1.307 6095 T CA -0.419 61.704 62.100 0.039 0.000 1.019 6095 T CB 1.372 70.257 68.868 0.029 0.000 1.264 6095 T HN 1.174 nan 8.240 nan 0.000 0.497 6096 G N 1.521 110.344 108.800 0.038 0.000 2.370 6096 G HA2 0.646 4.606 3.960 -0.000 0.000 0.317 6096 G HA3 0.646 4.606 3.960 -0.000 0.000 0.317 6096 G C -0.017 174.903 174.900 0.032 0.000 1.162 6096 G CA -0.199 44.922 45.100 0.035 0.000 0.922 6096 G HN 0.972 nan 8.290 nan 0.000 0.454 6097 A N 2.262 125.084 122.820 0.004 0.000 2.371 6097 A HA 0.551 4.871 4.320 -0.000 0.000 0.257 6097 A C 1.067 178.628 177.584 -0.038 0.000 1.089 6097 A CA -0.458 51.559 52.037 -0.033 0.000 0.794 6097 A CB 0.262 19.236 19.000 -0.043 0.000 1.029 6097 A HN 1.271 nan 8.150 nan 0.000 0.488 6098 I N -2.080 118.440 120.570 -0.083 0.000 4.081 6098 I HA 0.262 4.432 4.170 -0.000 0.000 0.333 6098 I C -0.276 175.797 176.117 -0.074 0.000 1.413 6098 I CA -0.304 60.952 61.300 -0.073 0.000 1.110 6098 I CB 0.240 38.155 38.000 -0.141 0.000 1.082 6098 I HN 0.311 nan 8.210 nan 0.000 0.402 6099 Q N 2.958 122.702 119.800 -0.094 0.000 2.293 6099 Q HA 0.381 4.721 4.340 -0.000 0.000 0.261 6099 Q C -1.774 174.147 176.000 -0.131 0.000 0.960 6099 Q CA -2.182 53.559 55.803 -0.103 0.000 0.882 6099 Q CB 1.987 30.655 28.738 -0.116 0.000 1.275 6099 Q HN 0.037 nan 8.270 nan 0.000 0.445 6100 P HA -0.177 nan 4.420 nan 0.000 0.217 6100 P C 0.343 177.404 177.300 -0.398 0.000 1.148 6100 P CA 1.538 64.449 63.100 -0.314 0.000 0.828 6100 P CB 0.377 31.819 31.700 -0.430 0.000 0.783 6101 H N -1.065 117.975 119.070 -0.051 0.000 2.519 6101 H HA 0.326 4.882 4.556 -0.000 0.000 0.289 6101 H C 0.856 176.149 175.328 -0.059 0.000 1.040 6101 H CA -0.347 55.678 56.048 -0.039 0.000 1.165 6101 H CB -0.055 29.694 29.762 -0.022 0.000 1.462 6101 H HN 0.235 nan 8.280 nan 0.000 0.555 6102 I N 1.838 122.380 120.570 -0.046 0.000 2.331 6102 I HA 0.032 4.202 4.170 -0.000 0.000 0.292 6102 I C 0.473 176.596 176.117 0.010 0.000 0.998 6102 I CA -0.508 60.747 61.300 -0.074 0.000 1.267 6102 I CB 1.007 38.896 38.000 -0.186 0.000 1.386 6102 I HN 0.024 nan 8.210 nan 0.000 0.476 6103 N N 5.110 123.848 118.700 0.064 0.000 2.487 6103 N HA 0.249 4.989 4.740 -0.000 0.000 0.292 6103 N C -0.682 174.849 175.510 0.033 0.000 1.108 6103 N CA -0.402 52.675 53.050 0.045 0.000 0.956 6103 N CB 1.476 39.992 38.487 0.049 0.000 1.176 6103 N HN 0.257 nan 8.380 nan 0.000 0.484 6104 V N 2.618 122.545 119.914 0.022 0.000 2.617 6104 V HA 0.255 4.375 4.120 -0.000 0.000 0.304 6104 V C 1.553 177.655 176.094 0.013 0.000 1.040 6104 V CA 1.770 64.082 62.300 0.019 0.000 1.149 6104 V CB 0.126 31.960 31.823 0.018 0.000 0.914 6104 V HN 1.040 nan 8.190 nan 0.000 0.487 6105 G N 3.903 112.711 108.800 0.014 0.000 2.254 6105 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.225 6105 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.225 6105 G C -0.008 174.880 174.900 -0.019 0.000 1.003 6105 G CA -0.003 45.095 45.100 -0.005 0.000 0.622 6105 G HN 0.664 nan 8.290 nan 0.000 0.507 6106 D N 0.477 120.884 120.400 0.011 0.000 2.400 6106 D HA 0.436 5.075 4.640 -0.000 0.000 0.238 6106 D C 0.602 176.928 176.300 0.044 0.000 1.157 6106 D CA 0.199 54.218 54.000 0.033 0.000 0.889 6106 D CB 1.565 42.455 40.800 0.149 0.000 1.199 6106 D HN 0.227 nan 8.370 nan 0.000 0.436 6107 V N 2.864 122.794 119.914 0.027 0.000 2.394 6107 V HA 0.298 4.418 4.120 -0.000 0.000 0.282 6107 V C 0.152 176.280 176.094 0.056 0.000 1.031 6107 V CA -0.654 61.667 62.300 0.036 0.000 0.881 6107 V CB 1.015 32.852 31.823 0.024 0.000 0.982 6107 V HN 0.268 nan 8.190 nan 0.000 0.451 6108 L N 5.644 126.904 121.223 0.061 0.000 2.305 6108 L HA 0.590 4.930 4.340 -0.000 0.000 0.284 6108 L C -0.599 176.294 176.870 0.037 0.000 1.013 6108 L CA -0.727 54.154 54.840 0.069 0.000 0.819 6108 L CB 1.893 43.989 42.059 0.060 0.000 1.227 6108 L HN 0.329 nan 8.230 nan 0.000 0.417 6109 V N 2.123 122.056 119.914 0.032 0.000 2.394 6109 V HA 0.285 4.405 4.120 -0.000 0.000 0.282 6109 V C 0.352 176.454 176.094 0.013 0.000 1.031 6109 V CA -0.329 61.979 62.300 0.013 0.000 0.881 6109 V CB 1.757 33.580 31.823 -0.000 0.000 0.982 6109 V HN 0.729 nan 8.190 nan 0.000 0.451 6110 T N 3.496 118.054 114.554 0.006 0.000 2.743 6110 T HA 0.207 4.557 4.350 -0.000 0.000 0.293 6110 T C 1.302 176.005 174.700 0.005 0.000 0.945 6110 T CA 0.166 62.267 62.100 0.001 0.000 1.030 6110 T CB 1.234 70.099 68.868 -0.005 0.000 0.912 6110 T HN 0.959 nan 8.240 nan 0.000 0.483 6111 T N 0.540 115.099 114.554 0.008 0.000 2.937 6111 T HA 0.489 4.839 4.350 -0.000 0.000 0.260 6111 T C 0.704 175.413 174.700 0.017 0.000 1.051 6111 T CA 0.266 62.378 62.100 0.019 0.000 1.141 6111 T CB 0.175 69.059 68.868 0.027 0.000 0.879 6111 T HN 0.771 nan 8.240 nan 0.000 0.459 6112 A N -0.003 122.817 122.820 0.001 0.000 2.597 6112 A HA 0.672 4.992 4.320 -0.000 0.000 0.292 6112 A C -1.010 176.557 177.584 -0.028 0.000 1.057 6112 A CA -0.845 51.189 52.037 -0.005 0.000 0.674 6112 A CB 1.240 20.236 19.000 -0.007 0.000 1.278 6112 A HN 0.214 nan 8.150 nan 0.000 0.416 6113 S N -0.367 115.314 115.700 -0.031 0.000 2.536 6113 S HA 0.618 5.088 4.470 -0.000 0.000 0.298 6113 S C -0.437 174.110 174.600 -0.089 0.000 1.083 6113 S CA -0.569 57.593 58.200 -0.064 0.000 0.995 6113 S CB 1.734 64.907 63.200 -0.046 0.000 1.058 6113 S HN 0.884 nan 8.310 nan 0.000 0.488 6114 V N 3.125 122.934 119.914 -0.175 0.000 2.455 6114 V HA 0.207 4.327 4.120 -0.000 0.000 0.273 6114 V C 0.515 176.521 176.094 -0.147 0.000 1.045 6114 V CA -0.211 61.945 62.300 -0.240 0.000 0.976 6114 V CB 0.074 31.549 31.823 -0.579 0.000 0.993 6114 V HN 0.697 nan 8.190 nan 0.000 0.475 6115 R N 5.541 126.008 120.500 -0.054 0.000 2.878 6115 R HA 0.268 4.608 4.340 -0.000 0.000 0.239 6115 R C 0.089 176.418 176.300 0.049 0.000 1.515 6115 R CA -0.052 56.054 56.100 0.010 0.000 1.210 6115 R CB -0.053 30.279 30.300 0.053 0.000 1.209 6115 R HN 0.663 nan 8.270 nan 0.000 0.610 6116 L N 2.321 123.575 121.223 0.051 0.000 2.912 6116 L HA 0.125 4.465 4.340 -0.000 0.000 0.240 6116 L C 0.233 177.180 176.870 0.128 0.000 1.262 6116 L CA -0.252 54.682 54.840 0.157 0.000 1.058 6116 L CB -0.637 41.543 42.059 0.202 0.000 1.383 6116 L HN 0.543 nan 8.230 nan 0.000 0.512 6117 D N -1.492 118.961 120.400 0.087 0.000 2.621 6117 D HA 0.337 4.977 4.640 -0.000 0.000 0.255 6117 D C 0.737 177.082 176.300 0.075 0.000 1.122 6117 D CA -0.337 53.701 54.000 0.063 0.000 1.096 6117 D CB 1.767 42.587 40.800 0.033 0.000 1.282 6117 D HN -0.082 nan 8.370 nan 0.000 0.619 6118 G N -1.317 107.509 108.800 0.043 0.000 2.747 6118 G HA2 0.259 4.219 3.960 -0.000 0.000 0.202 6118 G HA3 0.259 4.219 3.960 -0.000 0.000 0.202 6118 G C 1.268 176.154 174.900 -0.023 0.000 1.090 6118 G CA 0.588 45.717 45.100 0.047 0.000 0.779 6118 G HN 0.613 nan 8.290 nan 0.000 0.535 6119 A N 1.850 124.604 122.820 -0.111 0.000 1.972 6119 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 6119 A C 2.677 180.328 177.584 0.113 0.000 1.169 6119 A CA 2.460 54.383 52.037 -0.191 0.000 0.635 6119 A CB -0.703 18.255 19.000 -0.070 0.000 0.810 6119 A HN 0.742 nan 8.150 nan 0.000 0.446 6120 S N 0.345 116.134 115.700 0.149 0.000 2.383 6120 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 6120 S C 1.722 176.470 174.600 0.247 0.000 1.030 6120 S CA 1.552 59.884 58.200 0.220 0.000 1.002 6120 S CB -0.806 62.469 63.200 0.125 0.000 0.829 6120 S HN 0.457 nan 8.310 nan 0.000 0.467 6121 L N 0.814 122.159 121.223 0.203 0.000 2.362 6121 L HA -0.018 4.322 4.340 -0.000 0.000 0.219 6121 L C 2.332 179.299 176.870 0.162 0.000 1.134 6121 L CA 1.089 56.038 54.840 0.181 0.000 0.807 6121 L CB -0.712 41.452 42.059 0.175 0.000 0.927 6121 L HN 0.507 nan 8.230 nan 0.000 0.447 6122 H N -1.848 117.164 119.070 -0.098 0.000 2.547 6122 H HA 0.021 4.577 4.556 -0.000 0.000 0.266 6122 H C 1.267 176.224 175.328 -0.618 0.000 0.988 6122 H CA 0.535 56.370 56.048 -0.354 0.000 1.147 6122 H CB 0.413 29.896 29.762 -0.465 0.000 1.365 6122 H HN 0.353 nan 8.280 nan 0.000 0.589 6123 F N -0.307 119.665 119.950 0.037 0.000 2.711 6123 F HA 0.435 4.962 4.527 -0.000 0.000 0.296 6123 F C 0.820 176.533 175.800 -0.146 0.000 1.096 6123 F CA -0.021 57.940 58.000 -0.065 0.000 1.280 6123 F CB 1.078 40.020 39.000 -0.096 0.000 1.060 6123 F HN -0.038 nan 8.300 nan 0.000 0.608 6124 A N 0.463 123.307 122.820 0.040 0.000 2.589 6124 A HA 0.591 4.911 4.320 -0.000 0.000 0.296 6124 A C -2.800 174.813 177.584 0.048 0.000 1.062 6124 A CA -1.374 50.627 52.037 -0.060 0.000 0.686 6124 A CB 0.613 19.404 19.000 -0.348 0.000 1.282 6124 A HN -0.171 nan 8.150 nan 0.000 0.404 6125 P HA 0.082 nan 4.420 nan 0.000 0.271 6125 P C 0.846 178.227 177.300 0.135 0.000 1.233 6125 P CA -0.165 62.989 63.100 0.089 0.000 0.789 6125 P CB 0.446 32.195 31.700 0.081 0.000 0.951 6126 M N 1.428 121.095 119.600 0.111 0.000 2.260 6126 M HA -0.195 4.284 4.480 -0.000 0.000 0.261 6126 M C 1.495 177.870 176.300 0.125 0.000 1.066 6126 M CA 1.931 57.301 55.300 0.116 0.000 1.082 6126 M CB -1.278 31.375 32.600 0.089 0.000 1.388 6126 M HN 0.312 nan 8.290 nan 0.000 0.419 6127 E N -0.907 119.365 120.200 0.120 0.000 2.204 6127 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 6127 E C 0.247 176.916 176.600 0.115 0.000 0.990 6127 E CA 0.571 57.030 56.400 0.099 0.000 0.821 6127 E CB -0.471 29.279 29.700 0.083 0.000 0.750 6127 E HN 0.484 nan 8.360 nan 0.000 0.477 6128 F N 2.503 122.474 119.950 0.035 0.000 2.495 6128 F HA 0.156 4.683 4.527 -0.000 0.000 0.365 6128 F C -1.964 173.853 175.800 0.029 0.000 1.090 6128 F CA -2.871 55.150 58.000 0.034 0.000 1.235 6128 F CB 0.558 39.584 39.000 0.044 0.000 1.119 6128 F HN -0.123 nan 8.300 nan 0.000 0.562 6129 P HA 0.146 nan 4.420 nan 0.000 0.276 6129 P C -1.255 176.103 177.300 0.097 0.000 1.235 6129 P CA -0.385 62.659 63.100 -0.094 0.000 0.772 6129 P CB 1.254 32.826 31.700 -0.213 0.000 0.871 6130 A N 4.137 127.022 122.820 0.108 0.000 3.091 6130 A HA 0.263 4.583 4.320 -0.000 0.000 0.264 6130 A C 0.301 177.923 177.584 0.063 0.000 1.673 6130 A CA -0.401 51.706 52.037 0.116 0.000 1.362 6130 A CB -0.893 18.147 19.000 0.066 0.000 1.137 6130 A HN 0.477 nan 8.150 nan 0.000 0.617 6131 V N 1.511 121.466 119.914 0.069 0.000 2.539 6131 V HA 0.698 4.818 4.120 -0.000 0.000 0.292 6131 V C 0.636 176.767 176.094 0.061 0.000 1.045 6131 V CA -0.166 62.159 62.300 0.041 0.000 0.945 6131 V CB 1.380 33.206 31.823 0.006 0.000 0.993 6131 V HN 0.866 nan 8.190 nan 0.000 0.464 6132 A N 4.191 127.042 122.820 0.051 0.000 2.304 6132 A HA 0.432 4.752 4.320 -0.000 0.000 0.271 6132 A C -0.000 177.631 177.584 0.079 0.000 1.091 6132 A CA -0.291 51.779 52.037 0.055 0.000 0.812 6132 A CB 0.274 19.296 19.000 0.036 0.000 1.056 6132 A HN 1.034 nan 8.150 nan 0.000 0.489 6133 D N -0.016 120.432 120.400 0.080 0.000 2.414 6133 D HA 0.110 4.750 4.640 -0.000 0.000 0.242 6133 D C 0.655 177.025 176.300 0.117 0.000 1.129 6133 D CA -0.036 54.027 54.000 0.105 0.000 0.885 6133 D CB 0.179 41.032 40.800 0.088 0.000 1.198 6133 D HN 0.373 nan 8.370 nan 0.000 0.437 6134 F N 3.860 123.821 119.950 0.019 0.000 2.134 6134 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 6134 F C 2.039 177.846 175.800 0.013 0.000 1.097 6134 F CA 1.700 59.707 58.000 0.013 0.000 1.264 6134 F CB -0.419 38.587 39.000 0.009 0.000 1.001 6134 F HN 0.497 nan 8.300 nan 0.000 0.479 6135 A N -0.606 122.211 122.820 -0.005 0.000 1.902 6135 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 6135 A C 2.356 179.859 177.584 -0.135 0.000 1.181 6135 A CA 1.792 53.772 52.037 -0.096 0.000 0.623 6135 A CB -1.641 17.375 19.000 0.027 0.000 0.818 6135 A HN 0.557 nan 8.150 nan 0.000 0.443 6136 C N -1.167 118.092 119.300 -0.069 0.000 2.453 6136 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 6136 C C 3.038 177.972 174.990 -0.092 0.000 1.262 6136 C CA 1.471 60.456 59.018 -0.054 0.000 1.718 6136 C CB -1.493 26.245 27.740 -0.003 0.000 2.031 6136 C HN 0.643 nan 8.230 nan 0.000 0.480 6137 T N 0.649 115.132 114.554 -0.120 0.000 2.746 6137 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 6137 T C 1.808 176.387 174.700 -0.203 0.000 1.039 6137 T CA 2.155 64.177 62.100 -0.130 0.000 1.142 6137 T CB -0.543 68.262 68.868 -0.106 0.000 0.866 6137 T HN 0.584 nan 8.240 nan 0.000 0.444 6138 T N 2.022 116.356 114.554 -0.368 0.000 2.708 6138 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 6138 T C 2.416 176.999 174.700 -0.195 0.000 1.037 6138 T CA 1.220 63.098 62.100 -0.369 0.000 1.146 6138 T CB -0.605 67.919 68.868 -0.573 0.000 0.865 6138 T HN 0.441 nan 8.240 nan 0.000 0.435 6139 A N 1.217 123.942 122.820 -0.158 0.000 1.883 6139 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 6139 A C 2.321 179.862 177.584 -0.071 0.000 1.186 6139 A CA 1.366 53.347 52.037 -0.094 0.000 0.624 6139 A CB -0.922 18.036 19.000 -0.071 0.000 0.822 6139 A HN 0.479 nan 8.150 nan 0.000 0.444 6140 L N -0.675 120.507 121.223 -0.069 0.000 2.017 6140 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 6140 L C 2.564 179.407 176.870 -0.045 0.000 1.073 6140 L CA 1.206 56.018 54.840 -0.046 0.000 0.745 6140 L CB -0.598 41.439 42.059 -0.037 0.000 0.894 6140 L HN 0.258 nan 8.230 nan 0.000 0.432 6141 V N -0.332 119.544 119.914 -0.062 0.000 2.295 6141 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 6141 V C 2.416 178.482 176.094 -0.047 0.000 1.049 6141 V CA 1.894 64.162 62.300 -0.054 0.000 1.024 6141 V CB -0.405 31.379 31.823 -0.065 0.000 0.648 6141 V HN 0.386 nan 8.190 nan 0.000 0.447 6142 E N 0.038 120.204 120.200 -0.057 0.000 2.077 6142 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 6142 E C 2.232 178.812 176.600 -0.033 0.000 0.989 6142 E CA 1.456 57.830 56.400 -0.044 0.000 0.800 6142 E CB -0.409 29.261 29.700 -0.051 0.000 0.746 6142 E HN 0.577 nan 8.360 nan 0.000 0.452 6143 A N 0.609 123.408 122.820 -0.034 0.000 1.902 6143 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 6143 A C 2.347 179.922 177.584 -0.015 0.000 1.181 6143 A CA 1.699 53.721 52.037 -0.025 0.000 0.623 6143 A CB -0.768 18.217 19.000 -0.026 0.000 0.818 6143 A HN 0.337 nan 8.150 nan 0.000 0.443 6144 A N 0.143 122.954 122.820 -0.014 0.000 1.972 6144 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 6144 A C 2.143 179.724 177.584 -0.004 0.000 1.169 6144 A CA 1.915 53.952 52.037 -0.002 0.000 0.635 6144 A CB -0.410 18.583 19.000 -0.012 0.000 0.810 6144 A HN 0.580 nan 8.150 nan 0.000 0.446 6145 K N 0.674 121.065 120.400 -0.016 0.000 2.057 6145 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 6145 K C 2.074 178.669 176.600 -0.009 0.000 1.050 6145 K CA 1.993 58.271 56.287 -0.016 0.000 0.935 6145 K CB -0.371 32.116 32.500 -0.021 0.000 0.715 6145 K HN 0.519 nan 8.250 nan 0.000 0.439 6146 S N 1.208 116.902 115.700 -0.010 0.000 2.474 6146 S HA -0.108 4.362 4.470 -0.000 0.000 0.235 6146 S C 1.896 176.494 174.600 -0.004 0.000 0.997 6146 S CA 0.906 59.101 58.200 -0.009 0.000 0.949 6146 S CB -0.650 62.542 63.200 -0.013 0.000 0.766 6146 S HN 0.585 nan 8.310 nan 0.000 0.517 6147 I N -2.714 117.859 120.570 0.004 0.000 3.974 6147 I HA 0.582 4.752 4.170 -0.000 0.000 0.334 6147 I C 1.058 177.204 176.117 0.048 0.000 1.437 6147 I CA -0.091 61.218 61.300 0.015 0.000 1.113 6147 I CB -0.305 37.694 38.000 -0.001 0.000 1.063 6147 I HN 0.212 nan 8.210 nan 0.000 0.400 6148 G N 2.116 110.933 108.800 0.028 0.000 2.341 6148 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.292 6148 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.292 6148 G C 0.391 175.308 174.900 0.028 0.000 1.021 6148 G CA 0.338 45.451 45.100 0.021 0.000 0.905 6148 G HN 0.977 nan 8.290 nan 0.000 0.508 6149 A N -0.294 122.554 122.820 0.048 0.000 2.340 6149 A HA 0.721 5.041 4.320 -0.000 0.000 0.268 6149 A C 0.913 178.452 177.584 -0.076 0.000 1.100 6149 A CA 0.523 52.566 52.037 0.010 0.000 0.803 6149 A CB 0.511 19.591 19.000 0.134 0.000 1.043 6149 A HN 0.772 nan 8.150 nan 0.000 0.488 6150 T N 2.945 117.418 114.554 -0.135 0.000 2.761 6150 T HA 0.368 4.718 4.350 -0.000 0.000 0.287 6150 T C 0.152 174.724 174.700 -0.212 0.000 0.931 6150 T CA 0.728 62.727 62.100 -0.167 0.000 1.164 6150 T CB -0.346 68.441 68.868 -0.136 0.000 0.876 6150 T HN 0.641 nan 8.240 nan 0.000 0.534 6151 T N 4.372 118.753 114.554 -0.288 0.000 2.887 6151 T HA 0.433 4.783 4.350 -0.000 0.000 0.288 6151 T C -0.671 173.758 174.700 -0.452 0.000 1.021 6151 T CA -0.812 61.130 62.100 -0.264 0.000 1.000 6151 T CB 1.145 69.941 68.868 -0.120 0.000 1.034 6151 T HN 0.527 nan 8.240 nan 0.000 0.467 6152 H N 0.628 119.695 119.070 -0.006 0.000 2.600 6152 H HA 0.583 5.139 4.556 -0.000 0.000 0.357 6152 H C -1.097 174.227 175.328 -0.006 0.000 1.106 6152 H CA -0.503 55.542 56.048 -0.004 0.000 1.193 6152 H CB 1.948 31.708 29.762 -0.003 0.000 1.594 6152 H HN 0.268 nan 8.280 nan 0.000 0.526 6153 V N 2.179 122.155 119.914 0.104 0.000 2.448 6153 V HA 0.734 4.854 4.120 -0.000 0.000 0.295 6153 V C 0.485 176.609 176.094 0.049 0.000 1.025 6153 V CA -0.189 62.143 62.300 0.054 0.000 0.859 6153 V CB 1.490 33.330 31.823 0.028 0.000 0.988 6153 V HN 1.080 nan 8.190 nan 0.000 0.431 6154 G N 3.144 111.962 108.800 0.030 0.000 2.356 6154 G HA2 0.409 4.369 3.960 -0.000 0.000 0.281 6154 G HA3 0.409 4.369 3.960 -0.000 0.000 0.281 6154 G C -1.403 173.494 174.900 -0.005 0.000 1.246 6154 G CA -0.428 44.681 45.100 0.015 0.000 0.889 6154 G HN 0.499 nan 8.290 nan 0.000 0.486 6155 V N 0.630 120.531 119.914 -0.022 0.000 2.686 6155 V HA 0.643 4.763 4.120 -0.000 0.000 0.295 6155 V C 0.320 176.365 176.094 -0.083 0.000 1.057 6155 V CA 0.028 62.299 62.300 -0.049 0.000 1.012 6155 V CB 1.366 33.157 31.823 -0.054 0.000 1.006 6155 V HN 0.785 nan 8.190 nan 0.000 0.477 6156 T N 3.147 117.640 114.554 -0.102 0.000 2.861 6156 T HA 0.647 4.997 4.350 -0.000 0.000 0.287 6156 T C -0.203 174.382 174.700 -0.192 0.000 1.003 6156 T CA -0.302 61.721 62.100 -0.129 0.000 0.977 6156 T CB 1.663 70.488 68.868 -0.072 0.000 0.996 6156 T HN 0.919 nan 8.240 nan 0.000 0.448 6157 A N 2.190 124.851 122.820 -0.265 0.000 2.269 6157 A HA 0.630 4.950 4.320 -0.000 0.000 0.302 6157 A C 0.347 177.890 177.584 -0.070 0.000 1.266 6157 A CA -0.439 51.405 52.037 -0.322 0.000 0.894 6157 A CB 0.371 19.025 19.000 -0.576 0.000 1.147 6157 A HN 0.625 nan 8.150 nan 0.000 0.537 6158 S N 2.121 117.776 115.700 -0.074 0.000 2.461 6158 S HA 0.498 4.968 4.470 -0.000 0.000 0.322 6158 S C 0.017 174.612 174.600 -0.010 0.000 1.063 6158 S CA -0.326 57.862 58.200 -0.020 0.000 1.120 6158 S CB 0.327 63.511 63.200 -0.027 0.000 0.968 6158 S HN 0.933 nan 8.310 nan 0.000 0.467 6159 S N 3.166 118.852 115.700 -0.023 0.000 2.525 6159 S HA 0.346 4.816 4.470 -0.000 0.000 0.290 6159 S C 0.485 175.045 174.600 -0.067 0.000 1.152 6159 S CA -0.599 57.559 58.200 -0.069 0.000 1.072 6159 S CB 1.126 64.201 63.200 -0.208 0.000 1.027 6159 S HN 0.710 nan 8.310 nan 0.000 0.500 6160 D N 1.767 122.138 120.400 -0.048 0.000 2.363 6160 D HA 0.117 4.757 4.640 -0.000 0.000 0.220 6160 D C 0.668 176.942 176.300 -0.044 0.000 0.994 6160 D CA 0.759 54.744 54.000 -0.026 0.000 0.890 6160 D CB 0.188 40.994 40.800 0.010 0.000 0.906 6160 D HN 0.713 nan 8.370 nan 0.000 0.530 6161 T N -4.112 110.377 114.554 -0.108 0.000 2.906 6161 T HA 0.294 4.644 4.350 -0.000 0.000 0.295 6161 T C 0.406 175.025 174.700 -0.136 0.000 1.075 6161 T CA -0.882 61.168 62.100 -0.083 0.000 1.005 6161 T CB 1.190 70.000 68.868 -0.097 0.000 1.136 6161 T HN -0.124 nan 8.240 nan 0.000 0.498 6162 F N -0.001 119.797 119.950 -0.253 0.000 2.387 6162 F HA 0.241 4.768 4.527 -0.000 0.000 0.294 6162 F C 1.011 176.452 175.800 -0.598 0.000 1.093 6162 F CA 0.555 58.288 58.000 -0.446 0.000 1.420 6162 F CB -0.023 38.658 39.000 -0.532 0.000 1.086 6162 F HN 0.688 nan 8.300 nan 0.000 0.531 6163 Y N 0.969 121.255 120.300 -0.025 0.000 2.304 6163 Y HA 0.132 4.682 4.550 -0.000 0.000 0.265 6163 Y C -0.376 175.359 175.900 -0.276 0.000 1.074 6163 Y CA 0.566 58.595 58.100 -0.118 0.000 1.102 6163 Y CB -1.968 36.500 38.460 0.013 0.000 1.037 6163 Y HN -0.209 nan 8.280 nan 0.000 0.484 6164 P HA -0.131 nan 4.420 nan 0.000 0.216 6164 P C 1.485 178.498 177.300 -0.479 0.000 1.150 6164 P CA 2.260 65.226 63.100 -0.223 0.000 0.837 6164 P CB -0.247 31.388 31.700 -0.108 0.000 0.786 6165 G N -0.190 108.201 108.800 -0.682 0.000 2.498 6165 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 6165 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 6165 G C 1.375 175.789 174.900 -0.809 0.000 1.119 6165 G CA 0.298 44.676 45.100 -1.203 0.000 0.766 6165 G HN 0.393 nan 8.290 nan 0.000 0.552 6166 Q N -0.638 118.720 119.800 -0.737 0.000 2.175 6166 Q HA 0.205 4.545 4.340 -0.000 0.000 0.225 6166 Q C -0.041 175.641 176.000 -0.529 0.000 0.837 6166 Q CA -0.291 54.857 55.803 -1.092 0.000 1.032 6166 Q CB 0.521 28.454 28.738 -1.340 0.000 1.137 6166 Q HN 0.590 nan 8.270 nan 0.000 0.483 6167 E N 1.676 121.685 120.200 -0.318 0.000 2.228 6167 E HA -0.241 4.109 4.350 -0.000 0.000 0.213 6167 E C -0.920 175.528 176.600 -0.253 0.000 1.282 6167 E CA 0.187 56.453 56.400 -0.224 0.000 0.707 6167 E CB -0.306 29.419 29.700 0.042 0.000 1.150 6167 E HN 0.317 nan 8.360 nan 0.000 0.362 6168 R N 0.214 120.547 120.500 -0.279 0.000 2.297 6168 R HA 0.213 4.553 4.340 -0.000 0.000 0.308 6168 R C 0.198 176.407 176.300 -0.152 0.000 1.029 6168 R CA -0.224 55.817 56.100 -0.099 0.000 0.929 6168 R CB 0.532 30.829 30.300 -0.006 0.000 1.046 6168 R HN 0.218 nan 8.270 nan 0.000 0.461 6169 Y N -0.323 120.021 120.300 0.072 0.000 2.442 6169 Y HA 0.080 4.630 4.550 -0.000 0.000 0.250 6169 Y C 0.274 176.205 175.900 0.051 0.000 1.113 6169 Y CA -0.151 57.982 58.100 0.055 0.000 1.273 6169 Y CB 0.690 39.171 38.460 0.035 0.000 1.138 6169 Y HN 0.436 nan 8.280 nan 0.000 0.522 6170 D N 1.775 122.296 120.400 0.202 0.000 2.671 6170 D HA 0.072 4.712 4.640 -0.000 0.000 0.228 6170 D C 0.435 176.784 176.300 0.083 0.000 1.102 6170 D CA 0.384 54.466 54.000 0.138 0.000 1.044 6170 D CB -0.122 40.763 40.800 0.141 0.000 1.113 6170 D HN 0.265 nan 8.370 nan 0.000 0.480 6171 T N -3.402 111.173 114.554 0.035 0.000 2.858 6171 T HA 0.191 4.541 4.350 -0.000 0.000 0.285 6171 T C 1.089 175.786 174.700 -0.004 0.000 1.052 6171 T CA -0.871 61.195 62.100 -0.056 0.000 1.009 6171 T CB 1.029 69.836 68.868 -0.102 0.000 1.241 6171 T HN 0.146 nan 8.240 nan 0.000 0.542 6172 Y N 1.288 121.515 120.300 -0.122 0.000 2.128 6172 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 6172 Y C 2.716 178.594 175.900 -0.038 0.000 1.154 6172 Y CA 2.583 60.637 58.100 -0.075 0.000 1.149 6172 Y CB -0.205 38.202 38.460 -0.088 0.000 0.976 6172 Y HN 0.748 nan 8.280 nan 0.000 0.505 6173 S N -1.207 114.392 115.700 -0.168 0.000 2.458 6173 S HA 0.177 4.647 4.470 -0.000 0.000 0.223 6173 S C 1.823 176.365 174.600 -0.097 0.000 1.019 6173 S CA 0.570 58.642 58.200 -0.213 0.000 0.937 6173 S CB -0.231 62.931 63.200 -0.063 0.000 0.788 6173 S HN 0.954 nan 8.310 nan 0.000 0.511 6174 G N 2.170 110.957 108.800 -0.021 0.000 2.155 6174 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.257 6174 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.257 6174 G C 0.048 175.043 174.900 0.158 0.000 0.983 6174 G CA 0.520 45.664 45.100 0.073 0.000 0.676 6174 G HN 1.023 nan 8.290 nan 0.000 0.528 6175 R N -1.329 119.220 120.500 0.082 0.000 2.787 6175 R HA 0.821 5.161 4.340 -0.000 0.000 0.271 6175 R C -1.114 175.200 176.300 0.023 0.000 0.993 6175 R CA -0.976 55.190 56.100 0.109 0.000 0.993 6175 R CB 2.233 32.572 30.300 0.065 0.000 1.155 6175 R HN 0.261 nan 8.270 nan 0.000 0.486 6176 V N 2.673 122.616 119.914 0.048 0.000 2.525 6176 V HA 0.206 4.326 4.120 -0.000 0.000 0.299 6176 V C -0.045 176.103 176.094 0.091 0.000 1.034 6176 V CA -1.035 61.255 62.300 -0.018 0.000 0.863 6176 V CB 1.738 33.444 31.823 -0.195 0.000 0.999 6176 V HN 0.704 nan 8.190 nan 0.000 0.423 6177 V N 6.051 126.037 119.914 0.119 0.000 2.928 6177 V HA 0.015 4.135 4.120 -0.000 0.000 0.307 6177 V C 1.905 178.062 176.094 0.105 0.000 1.105 6177 V CA 0.941 63.314 62.300 0.121 0.000 1.223 6177 V CB 0.816 32.730 31.823 0.152 0.000 0.930 6177 V HN 0.986 nan 8.190 nan 0.000 0.499 6178 R N 3.772 124.304 120.500 0.054 0.000 2.159 6178 R HA -0.253 4.087 4.340 -0.000 0.000 0.252 6178 R C 2.313 178.590 176.300 -0.038 0.000 1.144 6178 R CA 2.683 58.793 56.100 0.016 0.000 0.961 6178 R CB -0.405 29.894 30.300 -0.002 0.000 0.877 6178 R HN 0.849 nan 8.270 nan 0.000 0.444 6179 R N -0.660 119.772 120.500 -0.112 0.000 2.139 6179 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 6179 R C 1.344 177.367 176.300 -0.462 0.000 1.145 6179 R CA 2.002 57.907 56.100 -0.326 0.000 0.976 6179 R CB -0.179 29.826 30.300 -0.493 0.000 0.866 6179 R HN 0.335 nan 8.270 nan 0.000 0.449 6180 F N 0.442 120.409 119.950 0.029 0.000 2.695 6180 F HA 0.256 4.783 4.527 0.000 0.000 0.303 6180 F C 0.422 176.230 175.800 0.012 0.000 1.091 6180 F CA -0.433 57.585 58.000 0.029 0.000 1.300 6180 F CB 0.451 39.470 39.000 0.032 0.000 1.071 6180 F HN -0.337 nan 8.300 nan 0.000 0.578 6181 K N 1.130 121.615 120.400 0.142 0.000 2.412 6181 K HA 0.175 4.495 4.320 -0.000 0.000 0.284 6181 K C 1.124 177.773 176.600 0.082 0.000 1.046 6181 K CA 0.838 57.215 56.287 0.150 0.000 0.999 6181 K CB 0.327 32.897 32.500 0.118 0.000 0.941 6181 K HN 0.406 nan 8.250 nan 0.000 0.474 6182 G N 2.066 110.932 108.800 0.111 0.000 2.155 6182 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.257 6182 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.257 6182 G C 1.012 175.867 174.900 -0.076 0.000 0.983 6182 G CA 0.938 46.052 45.100 0.023 0.000 0.676 6182 G HN 0.626 nan 8.290 nan 0.000 0.528 6183 S N -0.703 114.961 115.700 -0.059 0.000 2.387 6183 S HA 0.032 4.502 4.470 -0.000 0.000 0.226 6183 S C 2.264 176.624 174.600 -0.399 0.000 1.026 6183 S CA 1.600 59.620 58.200 -0.301 0.000 0.972 6183 S CB -0.287 62.927 63.200 0.024 0.000 0.814 6183 S HN 0.690 nan 8.310 nan 0.000 0.477 6184 M N 1.425 121.050 119.600 0.042 0.000 2.117 6184 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 6184 M C 2.442 178.757 176.300 0.025 0.000 1.065 6184 M CA 1.976 57.385 55.300 0.183 0.000 1.114 6184 M CB -0.249 32.526 32.600 0.292 0.000 1.361 6184 M HN 0.322 nan 8.290 nan 0.000 0.408 6185 E N 0.737 120.922 120.200 -0.024 0.000 2.110 6185 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 6185 E C 1.557 178.105 176.600 -0.088 0.000 0.988 6185 E CA 1.807 58.184 56.400 -0.038 0.000 0.804 6185 E CB -0.164 29.515 29.700 -0.034 0.000 0.745 6185 E HN 0.698 nan 8.360 nan 0.000 0.458 6186 E N -0.626 119.443 120.200 -0.219 0.000 2.047 6186 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 6186 E C 2.143 178.664 176.600 -0.132 0.000 0.987 6186 E CA 1.297 57.533 56.400 -0.273 0.000 0.799 6186 E CB -0.385 29.005 29.700 -0.518 0.000 0.752 6186 E HN 0.417 nan 8.360 nan 0.000 0.449 6187 W N 1.574 122.870 121.300 -0.006 0.000 2.363 6187 W HA -0.184 4.476 4.660 -0.000 0.000 0.296 6187 W C 2.600 179.075 176.519 -0.074 0.000 1.212 6187 W CA 0.412 57.727 57.345 -0.051 0.000 1.260 6187 W CB -0.136 29.256 29.460 -0.113 0.000 1.131 6187 W HN 0.172 nan 8.180 nan 0.000 0.530 6188 Q N 0.916 120.795 119.800 0.131 0.000 2.050 6188 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 6188 Q C 2.393 178.415 176.000 0.036 0.000 0.980 6188 Q CA 2.053 57.884 55.803 0.046 0.000 0.840 6188 Q CB -0.426 28.321 28.738 0.014 0.000 0.898 6188 Q HN 0.239 nan 8.270 nan 0.000 0.424 6189 A N 0.314 123.150 122.820 0.027 0.000 2.019 6189 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 6189 A C 1.822 179.429 177.584 0.038 0.000 1.164 6189 A CA 1.254 53.302 52.037 0.018 0.000 0.644 6189 A CB -0.358 18.640 19.000 -0.003 0.000 0.805 6189 A HN 0.471 nan 8.150 nan 0.000 0.449 6190 M N -1.259 118.386 119.600 0.075 0.000 2.561 6190 M HA 0.169 4.649 4.480 -0.000 0.000 0.238 6190 M C 1.323 177.665 176.300 0.069 0.000 1.131 6190 M CA 0.729 56.085 55.300 0.093 0.000 1.046 6190 M CB 0.228 32.933 32.600 0.175 0.000 1.532 6190 M HN 0.606 nan 8.290 nan 0.000 0.497 6191 G N 0.565 109.394 108.800 0.048 0.000 2.159 6191 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.256 6191 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.256 6191 G C 0.114 175.015 174.900 0.003 0.000 0.977 6191 G CA -0.138 44.975 45.100 0.022 0.000 0.652 6191 G HN 0.318 nan 8.290 nan 0.000 0.531 6192 V N 1.718 121.639 119.914 0.011 0.000 2.673 6192 V HA 0.201 4.321 4.120 -0.000 0.000 0.303 6192 V C 1.850 177.891 176.094 -0.087 0.000 1.046 6192 V CA 1.190 63.458 62.300 -0.052 0.000 1.126 6192 V CB 1.223 32.996 31.823 -0.085 0.000 0.934 6192 V HN 0.403 nan 8.190 nan 0.000 0.487 6193 M N 3.180 122.719 119.600 -0.102 0.000 2.287 6193 M HA 0.112 4.592 4.480 -0.000 0.000 0.266 6193 M C 0.638 176.857 176.300 -0.135 0.000 1.079 6193 M CA 0.962 56.197 55.300 -0.109 0.000 1.146 6193 M CB -0.035 32.519 32.600 -0.076 0.000 1.374 6193 M HN 0.943 nan 8.290 nan 0.000 0.435 6194 N N -1.698 116.902 118.700 -0.167 0.000 3.106 6194 N HA 0.215 4.955 4.740 -0.000 0.000 0.253 6194 N C -1.907 173.476 175.510 -0.211 0.000 1.506 6194 N CA -0.671 52.282 53.050 -0.161 0.000 0.876 6194 N CB 1.226 39.676 38.487 -0.062 0.000 1.452 6194 N HN -0.110 nan 8.380 nan 0.000 0.542 6195 Y N -0.553 119.697 120.300 -0.084 0.000 2.446 6195 Y HA 0.536 5.086 4.550 -0.000 0.000 0.345 6195 Y C 0.003 175.841 175.900 -0.103 0.000 0.984 6195 Y CA -0.236 57.795 58.100 -0.115 0.000 1.058 6195 Y CB 1.741 40.113 38.460 -0.147 0.000 1.220 6195 Y HN 0.834 nan 8.280 nan 0.000 0.455 6196 E N -0.167 120.090 120.200 0.096 0.000 2.394 6196 E HA 0.508 4.858 4.350 -0.000 0.000 0.266 6196 E C -1.173 175.431 176.600 0.007 0.000 1.065 6196 E CA -0.744 55.675 56.400 0.032 0.000 0.885 6196 E CB 1.180 30.895 29.700 0.026 0.000 1.659 6196 E HN 0.428 nan 8.360 nan 0.000 0.462 6197 M N -0.512 119.091 119.600 0.005 0.000 2.340 6197 M HA 0.338 4.817 4.480 -0.000 0.000 0.345 6197 M C -0.131 176.167 176.300 -0.004 0.000 1.008 6197 M CA 0.156 55.453 55.300 -0.006 0.000 0.987 6197 M CB 0.729 33.329 32.600 0.000 0.000 1.598 6197 M HN 0.487 nan 8.290 nan 0.000 0.569 6198 E N -0.531 119.668 120.200 -0.002 0.000 2.474 6198 E HA 0.076 4.425 4.350 -0.000 0.000 0.215 6198 E C 1.852 178.441 176.600 -0.018 0.000 0.867 6198 E CA 0.645 57.040 56.400 -0.008 0.000 1.135 6198 E CB 0.280 29.980 29.700 -0.001 0.000 1.147 6198 E HN 0.319 nan 8.360 nan 0.000 0.534 6199 S N 1.029 116.720 115.700 -0.014 0.000 2.368 6199 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 6199 S C 2.250 176.836 174.600 -0.023 0.000 1.030 6199 S CA 1.042 59.230 58.200 -0.019 0.000 0.999 6199 S CB -0.404 62.788 63.200 -0.014 0.000 0.844 6199 S HN 0.234 nan 8.310 nan 0.000 0.459 6200 A N 1.880 124.690 122.820 -0.017 0.000 1.892 6200 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 6200 A C 2.472 180.052 177.584 -0.007 0.000 1.188 6200 A CA 2.336 54.371 52.037 -0.004 0.000 0.631 6200 A CB -1.779 17.223 19.000 0.003 0.000 0.822 6200 A HN 0.591 nan 8.150 nan 0.000 0.447 6201 T N -0.047 114.495 114.554 -0.020 0.000 2.701 6201 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 6201 T C 1.884 176.498 174.700 -0.143 0.000 1.040 6201 T CA 1.481 63.554 62.100 -0.046 0.000 1.147 6201 T CB -0.478 68.371 68.868 -0.032 0.000 0.865 6201 T HN 0.361 nan 8.240 nan 0.000 0.426 6202 L N 1.229 122.373 121.223 -0.131 0.000 1.971 6202 L HA -0.062 4.278 4.340 -0.000 0.000 0.215 6202 L C 2.220 178.990 176.870 -0.167 0.000 1.072 6202 L CA 1.775 56.505 54.840 -0.183 0.000 0.758 6202 L CB -0.812 41.178 42.059 -0.115 0.000 0.889 6202 L HN 0.251 nan 8.230 nan 0.000 0.433 6203 L N -1.267 119.909 121.223 -0.079 0.000 2.046 6203 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 6203 L C 2.387 179.249 176.870 -0.013 0.000 1.077 6203 L CA 1.745 56.568 54.840 -0.028 0.000 0.747 6203 L CB -1.279 40.787 42.059 0.012 0.000 0.896 6203 L HN 0.329 nan 8.230 nan 0.000 0.432 6204 T N 0.744 115.288 114.554 -0.017 0.000 2.674 6204 T HA -0.224 4.126 4.350 -0.000 0.000 0.265 6204 T C 1.872 176.470 174.700 -0.170 0.000 1.039 6204 T CA 1.974 64.078 62.100 0.008 0.000 1.150 6204 T CB -0.281 68.616 68.868 0.048 0.000 0.864 6204 T HN 0.451 nan 8.240 nan 0.000 0.427 6205 M N 0.233 119.603 119.600 -0.384 0.000 2.213 6205 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 6205 M C 2.212 178.243 176.300 -0.449 0.000 1.062 6205 M CA 1.519 56.359 55.300 -0.767 0.000 1.105 6205 M CB -1.068 30.581 32.600 -1.585 0.000 1.385 6205 M HN 0.194 nan 8.290 nan 0.000 0.417 6206 C N 1.253 120.378 119.300 -0.292 0.000 2.500 6206 C HA 0.207 4.667 4.460 -0.000 0.000 0.279 6206 C C 3.253 178.221 174.990 -0.035 0.000 1.288 6206 C CA 0.917 59.844 59.018 -0.152 0.000 1.710 6206 C CB -1.046 26.635 27.740 -0.099 0.000 2.052 6206 C HN 0.759 nan 8.230 nan 0.000 0.488 6207 A N 0.973 123.808 122.820 0.024 0.000 2.070 6207 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 6207 A C 2.097 179.774 177.584 0.154 0.000 1.159 6207 A CA 1.998 54.125 52.037 0.150 0.000 0.656 6207 A CB -0.519 18.655 19.000 0.290 0.000 0.800 6207 A HN 0.712 nan 8.150 nan 0.000 0.453 6208 S N -1.889 113.766 115.700 -0.076 0.000 2.556 6208 S HA 0.178 4.648 4.470 -0.000 0.000 0.216 6208 S C 0.836 175.382 174.600 -0.090 0.000 0.970 6208 S CA 0.100 58.157 58.200 -0.239 0.000 0.912 6208 S CB 0.077 62.902 63.200 -0.625 0.000 0.790 6208 S HN 0.628 nan 8.310 nan 0.000 0.504 6209 Q N 0.406 120.182 119.800 -0.040 0.000 2.084 6209 Q HA 0.355 4.694 4.340 -0.000 0.000 0.230 6209 Q C 0.610 176.625 176.000 0.026 0.000 0.806 6209 Q CA 0.004 55.805 55.803 -0.004 0.000 1.083 6209 Q CB 1.034 29.762 28.738 -0.016 0.000 1.208 6209 Q HN 0.606 nan 8.270 nan 0.000 0.462 6210 G N 1.508 110.334 108.800 0.043 0.000 2.198 6210 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 6210 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 6210 G C -0.124 174.818 174.900 0.070 0.000 1.025 6210 G CA 0.237 45.372 45.100 0.059 0.000 0.769 6210 G HN 0.279 nan 8.290 nan 0.000 0.507 6211 L N -0.416 120.852 121.223 0.076 0.000 2.334 6211 L HA 0.619 4.959 4.340 -0.000 0.000 0.276 6211 L C 0.924 177.872 176.870 0.130 0.000 1.014 6211 L CA -1.125 53.792 54.840 0.128 0.000 0.815 6211 L CB 1.459 43.619 42.059 0.168 0.000 1.268 6211 L HN 0.061 nan 8.230 nan 0.000 0.428 6212 R N 1.959 122.547 120.500 0.147 0.000 2.297 6212 R HA 0.741 5.081 4.340 -0.000 0.000 0.308 6212 R C -0.650 175.749 176.300 0.165 0.000 1.029 6212 R CA -0.456 55.717 56.100 0.122 0.000 0.929 6212 R CB 1.516 31.866 30.300 0.082 0.000 1.046 6212 R HN 0.698 nan 8.270 nan 0.000 0.461 6213 A N 1.482 124.374 122.820 0.121 0.000 2.449 6213 A HA 0.751 5.071 4.320 -0.000 0.000 0.302 6213 A C -0.661 176.966 177.584 0.072 0.000 1.048 6213 A CA -0.665 51.444 52.037 0.120 0.000 0.708 6213 A CB 2.112 21.158 19.000 0.075 0.000 1.274 6213 A HN 0.761 nan 8.150 nan 0.000 0.410 6214 G N 0.056 108.896 108.800 0.066 0.000 2.519 6214 G HA2 0.664 4.624 3.960 -0.000 0.000 0.307 6214 G HA3 0.664 4.624 3.960 -0.000 0.000 0.307 6214 G C -1.055 173.864 174.900 0.033 0.000 1.266 6214 G CA -0.556 44.564 45.100 0.034 0.000 0.970 6214 G HN 1.030 nan 8.290 nan 0.000 0.481 6215 M N 2.147 121.758 119.600 0.018 0.000 2.267 6215 M HA 0.718 5.198 4.480 -0.000 0.000 0.289 6215 M C -1.752 174.555 176.300 0.012 0.000 1.043 6215 M CA -0.914 54.396 55.300 0.017 0.000 0.928 6215 M CB 1.949 34.556 32.600 0.011 0.000 1.613 6215 M HN 0.738 nan 8.290 nan 0.000 0.450 6216 V N 4.034 123.957 119.914 0.015 0.000 3.012 6216 V HA 1.046 5.166 4.120 -0.000 0.000 0.307 6216 V C -1.845 174.261 176.094 0.020 0.000 1.166 6216 V CA 0.245 62.554 62.300 0.016 0.000 0.974 6216 V CB 2.025 33.856 31.823 0.012 0.000 1.040 6216 V HN 1.300 nan 8.190 nan 0.000 0.428 6217 A N 3.542 126.376 122.820 0.024 0.000 2.606 6217 A HA 0.932 5.252 4.320 -0.000 0.000 0.293 6217 A C -0.314 177.290 177.584 0.034 0.000 1.082 6217 A CA -0.169 51.884 52.037 0.027 0.000 0.685 6217 A CB 1.821 20.836 19.000 0.025 0.000 1.284 6217 A HN 1.759 nan 8.150 nan 0.000 0.408 6218 G N -0.088 108.733 108.800 0.035 0.000 2.356 6218 G HA2 0.539 4.499 3.960 -0.000 0.000 0.322 6218 G HA3 0.539 4.499 3.960 -0.000 0.000 0.322 6218 G C -0.528 174.394 174.900 0.036 0.000 1.125 6218 G CA -0.393 44.730 45.100 0.039 0.000 0.885 6218 G HN 0.943 nan 8.290 nan 0.000 0.467 6219 V N 3.197 123.133 119.914 0.036 0.000 2.508 6219 V HA 0.121 4.241 4.120 -0.000 0.000 0.281 6219 V C 1.322 177.435 176.094 0.031 0.000 1.041 6219 V CA 0.142 62.462 62.300 0.032 0.000 1.016 6219 V CB 0.878 32.720 31.823 0.031 0.000 0.984 6219 V HN 0.767 nan 8.190 nan 0.000 0.478 6220 I N 3.145 123.735 120.570 0.034 0.000 4.139 6220 I HA 0.563 4.733 4.170 -0.000 0.000 0.335 6220 I C 0.150 176.289 176.117 0.037 0.000 1.327 6220 I CA 0.211 61.532 61.300 0.036 0.000 1.112 6220 I CB 1.134 39.160 38.000 0.043 0.000 1.058 6220 I HN 0.419 nan 8.210 nan 0.000 0.396 6221 V N 1.364 121.298 119.914 0.033 0.000 3.098 6221 V HA 0.421 4.541 4.120 -0.000 0.000 0.294 6221 V C -1.878 174.228 176.094 0.020 0.000 1.351 6221 V CA -0.578 61.740 62.300 0.030 0.000 0.999 6221 V CB 2.302 34.148 31.823 0.040 0.000 1.104 6221 V HN 0.347 nan 8.190 nan 0.000 0.438 6222 N N 5.030 123.738 118.700 0.014 0.000 2.511 6222 N HA 0.372 5.112 4.740 -0.000 0.000 0.249 6222 N C 0.718 176.234 175.510 0.010 0.000 0.971 6222 N CA -0.577 52.474 53.050 0.002 0.000 0.938 6222 N CB 1.529 40.010 38.487 -0.011 0.000 1.131 6222 N HN 0.621 nan 8.380 nan 0.000 0.505 6223 R N 0.923 121.436 120.500 0.021 0.000 2.293 6223 R HA -0.055 4.284 4.340 -0.000 0.000 0.219 6223 R C 1.428 177.748 176.300 0.034 0.000 1.091 6223 R CA 0.955 57.080 56.100 0.041 0.000 1.004 6223 R CB -0.840 29.515 30.300 0.091 0.000 0.865 6223 R HN 0.664 nan 8.270 nan 0.000 0.469 6224 T N -3.037 111.521 114.554 0.006 0.000 3.118 6224 T HA -0.005 4.345 4.350 -0.000 0.000 0.260 6224 T C 1.502 176.199 174.700 -0.005 0.000 1.139 6224 T CA 0.700 62.796 62.100 -0.007 0.000 1.085 6224 T CB 0.215 69.056 68.868 -0.046 0.000 0.934 6224 T HN 0.246 nan 8.240 nan 0.000 0.518 6225 Q N 0.297 120.098 119.800 0.002 0.000 2.532 6225 Q HA 0.269 4.609 4.340 -0.000 0.000 0.247 6225 Q C 0.525 176.537 176.000 0.021 0.000 0.872 6225 Q CA 0.002 55.809 55.803 0.006 0.000 0.963 6225 Q CB 0.642 29.381 28.738 0.001 0.000 1.159 6225 Q HN 0.772 nan 8.270 nan 0.000 0.598 6226 Q N -1.063 118.754 119.800 0.029 0.000 2.522 6226 Q HA 0.322 4.662 4.340 -0.000 0.000 0.285 6226 Q C -0.582 175.446 176.000 0.047 0.000 0.982 6226 Q CA -0.535 55.293 55.803 0.041 0.000 0.805 6226 Q CB 1.010 29.773 28.738 0.041 0.000 1.457 6226 Q HN -0.054 nan 8.270 nan 0.000 0.394 6227 E N 0.797 121.034 120.200 0.062 0.000 2.216 6227 E HA 0.081 4.431 4.350 -0.000 0.000 0.192 6227 E C 0.655 177.291 176.600 0.059 0.000 0.988 6227 E CA 1.068 57.499 56.400 0.052 0.000 0.834 6227 E CB 0.225 29.980 29.700 0.092 0.000 0.772 6227 E HN 0.562 nan 8.360 nan 0.000 0.479 6228 I N -1.727 118.899 120.570 0.094 0.000 2.722 6228 I HA 0.422 4.592 4.170 -0.000 0.000 0.295 6228 I C -2.870 173.299 176.117 0.087 0.000 1.161 6228 I CA -2.975 58.399 61.300 0.123 0.000 1.032 6228 I CB 2.217 40.324 38.000 0.179 0.000 1.244 6228 I HN -0.308 nan 8.210 nan 0.000 0.421 6229 P HA 0.096 nan 4.420 nan 0.000 0.269 6229 P C -0.638 176.692 177.300 0.049 0.000 1.215 6229 P CA -0.060 63.073 63.100 0.055 0.000 0.780 6229 P CB 0.473 32.204 31.700 0.051 0.000 0.898 6240 H N 2.473 121.536 119.070 -0.011 0.000 2.326 6240 H HA 0.404 4.960 4.556 -0.000 0.000 0.301 6240 H C 2.505 177.825 175.328 -0.013 0.000 1.081 6240 H CA 2.323 58.364 56.048 -0.012 0.000 1.334 6240 H CB -0.232 29.524 29.762 -0.009 0.000 1.385 6240 H HN 0.640 nan 8.280 nan 0.000 0.504 6241 A N -0.040 122.849 122.820 0.116 0.000 1.972 6241 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 6241 A C 2.529 180.126 177.584 0.021 0.000 1.169 6241 A CA 1.518 53.590 52.037 0.058 0.000 0.635 6241 A CB -0.709 18.320 19.000 0.048 0.000 0.810 6241 A HN 0.265 nan 8.150 nan 0.000 0.446 6242 V N 0.082 120.000 119.914 0.007 0.000 2.358 6242 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 6242 V C 2.408 178.482 176.094 -0.033 0.000 1.047 6242 V CA 2.318 64.608 62.300 -0.017 0.000 1.035 6242 V CB -0.616 31.189 31.823 -0.029 0.000 0.658 6242 V HN 0.557 nan 8.190 nan 0.000 0.452 6243 K N -0.200 120.169 120.400 -0.051 0.000 2.097 6243 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 6243 K C 2.030 178.603 176.600 -0.045 0.000 1.050 6243 K CA 1.395 57.641 56.287 -0.069 0.000 0.938 6243 K CB -0.241 32.184 32.500 -0.126 0.000 0.718 6243 K HN 0.387 nan 8.250 nan 0.000 0.442 6244 I N 0.348 120.903 120.570 -0.025 0.000 2.252 6244 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 6244 I C 2.315 178.424 176.117 -0.014 0.000 1.102 6244 I CA 0.806 62.099 61.300 -0.012 0.000 1.385 6244 I CB -0.148 37.858 38.000 0.010 0.000 1.064 6244 I HN -0.013 nan 8.210 nan 0.000 0.414 6245 V N 0.377 120.284 119.914 -0.010 0.000 2.515 6245 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 6245 V C 2.314 178.399 176.094 -0.015 0.000 1.058 6245 V CA 1.527 63.822 62.300 -0.009 0.000 1.064 6245 V CB 0.198 32.020 31.823 -0.002 0.000 0.675 6245 V HN 0.202 nan 8.190 nan 0.000 0.461 6246 V N 0.086 119.987 119.914 -0.021 0.000 2.379 6246 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 6246 V C 2.513 178.592 176.094 -0.024 0.000 1.044 6246 V CA 2.157 64.443 62.300 -0.024 0.000 1.036 6246 V CB -0.621 31.184 31.823 -0.030 0.000 0.664 6246 V HN 0.670 nan 8.190 nan 0.000 0.453 6247 E N 1.055 121.239 120.200 -0.027 0.000 2.110 6247 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 6247 E C 2.063 178.648 176.600 -0.025 0.000 0.988 6247 E CA 1.641 58.025 56.400 -0.026 0.000 0.804 6247 E CB -0.436 29.248 29.700 -0.028 0.000 0.745 6247 E HN 0.498 nan 8.360 nan 0.000 0.458 6248 A N 0.751 123.556 122.820 -0.025 0.000 1.930 6248 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 6248 A C 2.442 180.010 177.584 -0.027 0.000 1.175 6248 A CA 1.833 53.853 52.037 -0.028 0.000 0.627 6248 A CB -0.952 18.032 19.000 -0.027 0.000 0.815 6248 A HN 0.386 nan 8.150 nan 0.000 0.443 6249 A N 0.056 122.862 122.820 -0.024 0.000 1.933 6249 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 6249 A C 2.207 179.776 177.584 -0.025 0.000 1.175 6249 A CA 1.516 53.538 52.037 -0.025 0.000 0.628 6249 A CB -0.493 18.494 19.000 -0.023 0.000 0.814 6249 A HN 0.566 nan 8.150 nan 0.000 0.444 6250 R N -0.536 119.950 120.500 -0.022 0.000 2.091 6250 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 6250 R C 2.231 178.519 176.300 -0.020 0.000 1.136 6250 R CA 1.640 57.728 56.100 -0.020 0.000 0.959 6250 R CB -0.326 29.963 30.300 -0.019 0.000 0.856 6250 R HN 0.520 nan 8.270 nan 0.000 0.437 6251 R N 0.397 120.883 120.500 -0.023 0.000 2.235 6251 R HA -0.007 4.333 4.340 -0.000 0.000 0.213 6251 R C 1.581 177.868 176.300 -0.022 0.000 1.059 6251 R CA 0.742 56.828 56.100 -0.023 0.000 0.997 6251 R CB -0.002 30.281 30.300 -0.029 0.000 0.884 6251 R HN 0.240 nan 8.270 nan 0.000 0.462 6252 L N 0.741 121.950 121.223 -0.024 0.000 2.667 6252 L HA 0.204 4.544 4.340 -0.000 0.000 0.232 6252 L C 0.675 177.531 176.870 -0.023 0.000 1.138 6252 L CA -0.238 54.589 54.840 -0.023 0.000 0.921 6252 L CB 0.086 42.129 42.059 -0.026 0.000 1.180 6252 L HN 0.018 nan 8.230 nan 0.000 0.487 6253 L N 0.000 121.210 121.223 -0.022 0.000 2.949 6253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 6253 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 6253 L CB 0.000 42.047 42.059 -0.019 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502