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 1y1q_1_F 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 XXXTESHAVK 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 0.000 174.615 174.600 0.026 0.000 1.055 6004 S CA 0.000 58.209 58.200 0.016 0.000 1.107 6004 S CB 0.000 63.201 63.200 0.002 0.000 0.593 6005 D N 1.467 121.886 120.400 0.032 0.000 2.269 6005 D HA 0.049 4.689 4.640 0.000 0.000 0.208 6005 D C 1.184 177.517 176.300 0.056 0.000 0.963 6005 D CA 1.607 55.630 54.000 0.038 0.000 0.864 6005 D CB 0.174 40.993 40.800 0.033 0.000 0.936 6005 D HN 0.557 nan 8.370 nan 0.000 0.505 6006 V N -2.313 117.638 119.914 0.062 0.000 3.019 6006 V HA 0.337 4.457 4.120 0.000 0.000 0.317 6006 V C 0.758 176.918 176.094 0.110 0.000 1.094 6006 V CA -0.961 61.397 62.300 0.096 0.000 1.000 6006 V CB 1.591 33.465 31.823 0.084 0.000 1.060 6006 V HN -0.160 nan 8.190 nan 0.000 0.443 6007 F N 0.637 120.577 119.950 -0.017 0.000 2.512 6007 F HA 0.188 4.715 4.527 0.000 0.000 0.296 6007 F C 1.683 177.329 175.800 -0.256 0.000 1.110 6007 F CA 1.765 59.686 58.000 -0.132 0.000 1.446 6007 F CB 0.005 38.910 39.000 -0.158 0.000 1.092 6007 F HN 0.805 nan 8.300 nan 0.000 0.554 6008 H N -1.661 117.357 119.070 -0.087 0.000 2.657 6008 H HA 0.277 4.833 4.556 0.000 0.000 0.262 6008 H C 1.880 177.220 175.328 0.021 0.000 0.965 6008 H CA 0.693 56.675 56.048 -0.109 0.000 1.184 6008 H CB 0.040 29.786 29.762 -0.027 0.000 1.443 6008 H HN 0.088 nan 8.280 nan 0.000 0.462 6009 L N -0.213 121.080 121.223 0.116 0.000 2.418 6009 L HA 0.195 4.535 4.340 0.000 0.000 0.218 6009 L C 1.061 178.135 176.870 0.340 0.000 1.125 6009 L CA 0.619 55.567 54.840 0.180 0.000 0.835 6009 L CB -0.225 41.859 42.059 0.043 0.000 0.953 6009 L HN 0.482 nan 8.230 nan 0.000 0.454 6010 G N 1.505 110.435 108.800 0.217 0.000 2.295 6010 G HA2 -0.264 3.696 3.960 0.000 0.000 0.287 6010 G HA3 -0.264 3.696 3.960 0.000 0.000 0.287 6010 G C -0.161 174.843 174.900 0.174 0.000 1.055 6010 G CA 0.203 45.435 45.100 0.220 0.000 0.922 6010 G HN 0.255 nan 8.290 nan 0.000 0.503 6011 L N -0.618 120.662 121.223 0.095 0.000 2.301 6011 L HA 0.896 5.236 4.340 0.000 0.000 0.264 6011 L C 0.706 177.599 176.870 0.037 0.000 1.016 6011 L CA -0.616 54.258 54.840 0.055 0.000 0.821 6011 L CB 2.411 44.497 42.059 0.044 0.000 1.346 6011 L HN 0.371 nan 8.230 nan 0.000 0.429 6012 T N -3.611 110.957 114.554 0.023 0.000 2.924 6012 T HA 0.306 4.656 4.350 0.000 0.000 0.291 6012 T C 0.440 175.148 174.700 0.013 0.000 1.045 6012 T CA -0.842 61.268 62.100 0.018 0.000 1.015 6012 T CB 2.223 71.098 68.868 0.011 0.000 1.103 6012 T HN 0.589 nan 8.240 nan 0.000 0.496 6013 K N 0.584 120.992 120.400 0.012 0.000 2.211 6013 K HA -0.182 4.138 4.320 0.000 0.000 0.204 6013 K C 2.020 178.621 176.600 0.002 0.000 1.047 6013 K CA 1.670 57.962 56.287 0.009 0.000 0.935 6013 K CB -0.294 32.212 32.500 0.010 0.000 0.728 6013 K HN 0.651 nan 8.250 nan 0.000 0.452 6014 N N 1.042 119.743 118.700 0.001 0.000 2.223 6014 N HA -0.154 4.586 4.740 0.000 0.000 0.185 6014 N C 0.885 176.390 175.510 -0.009 0.000 1.016 6014 N CA 1.671 54.718 53.050 -0.004 0.000 0.863 6014 N CB -0.033 38.451 38.487 -0.005 0.000 0.983 6014 N HN 0.200 nan 8.380 nan 0.000 0.429 6015 D N -0.072 120.323 120.400 -0.009 0.000 2.310 6015 D HA -0.078 4.562 4.640 0.000 0.000 0.212 6015 D C 1.567 177.858 176.300 -0.014 0.000 0.965 6015 D CA 0.530 54.520 54.000 -0.017 0.000 0.879 6015 D CB 0.067 40.856 40.800 -0.017 0.000 0.921 6015 D HN 0.440 nan 8.370 nan 0.000 0.510 6016 L N 0.016 121.234 121.223 -0.009 0.000 2.418 6016 L HA -0.018 4.322 4.340 0.000 0.000 0.218 6016 L C 0.531 177.394 176.870 -0.012 0.000 1.125 6016 L CA 0.180 55.014 54.840 -0.011 0.000 0.835 6016 L CB -0.193 41.857 42.059 -0.014 0.000 0.953 6016 L HN -0.112 nan 8.230 nan 0.000 0.454 6017 Q N 0.346 120.140 119.800 -0.011 0.000 2.453 6017 Q HA -0.254 4.086 4.340 0.000 0.000 0.294 6017 Q C 1.165 177.158 176.000 -0.011 0.000 1.295 6017 Q CA 0.997 56.794 55.803 -0.010 0.000 0.853 6017 Q CB -1.968 26.764 28.738 -0.010 0.000 1.193 6017 Q HN 0.777 nan 8.270 nan 0.000 0.461 6018 G N -2.140 106.653 108.800 -0.012 0.000 2.157 6018 G HA2 -0.258 3.702 3.960 0.000 0.000 0.248 6018 G HA3 -0.258 3.702 3.960 0.000 0.000 0.248 6018 G C 0.348 175.235 174.900 -0.022 0.000 0.979 6018 G CA 0.404 45.495 45.100 -0.014 0.000 0.650 6018 G HN 1.234 nan 8.290 nan 0.000 0.529 6019 A N -0.538 122.267 122.820 -0.026 0.000 2.540 6019 A HA 0.594 4.914 4.320 0.000 0.000 0.239 6019 A C 0.957 178.505 177.584 -0.060 0.000 1.061 6019 A CA 1.625 53.638 52.037 -0.040 0.000 0.758 6019 A CB 0.444 19.420 19.000 -0.040 0.000 0.991 6019 A HN 0.626 nan 8.150 nan 0.000 0.502 6020 Q N 0.586 120.341 119.800 -0.075 0.000 2.140 6020 Q HA 0.421 4.761 4.340 0.000 0.000 0.227 6020 Q C -0.413 175.491 176.000 -0.159 0.000 0.798 6020 Q CA -0.028 55.717 55.803 -0.096 0.000 0.987 6020 Q CB 0.510 29.212 28.738 -0.061 0.000 1.161 6020 Q HN 0.766 nan 8.270 nan 0.000 0.480 6021 L N 0.315 121.441 121.223 -0.161 0.000 2.381 6021 L HA 0.906 5.247 4.340 0.000 0.000 0.268 6021 L C -1.870 174.870 176.870 -0.216 0.000 0.997 6021 L CA -0.755 53.960 54.840 -0.208 0.000 0.818 6021 L CB 1.956 43.942 42.059 -0.122 0.000 1.310 6021 L HN -0.073 nan 8.230 nan 0.000 0.416 6022 A N 5.726 128.367 122.820 -0.298 0.000 2.375 6022 A HA 0.615 4.935 4.320 0.000 0.000 0.295 6022 A C -0.931 176.606 177.584 -0.077 0.000 1.066 6022 A CA -0.478 51.447 52.037 -0.187 0.000 0.722 6022 A CB 0.904 19.759 19.000 -0.242 0.000 1.206 6022 A HN 0.667 nan 8.150 nan 0.000 0.435 6023 I N 2.992 123.553 120.570 -0.016 0.000 2.416 6023 I HA 0.324 4.494 4.170 0.000 0.000 0.288 6023 I C -0.096 176.056 176.117 0.058 0.000 1.051 6023 I CA -0.389 60.923 61.300 0.020 0.000 1.375 6023 I CB 1.407 39.412 38.000 0.008 0.000 1.407 6023 I HN 0.476 nan 8.210 nan 0.000 0.516 6024 V N 6.112 126.080 119.914 0.089 0.000 2.357 6024 V HA 0.556 4.676 4.120 0.000 0.000 0.281 6024 V C -2.572 173.571 176.094 0.083 0.000 1.015 6024 V CA -1.792 60.575 62.300 0.112 0.000 0.827 6024 V CB 0.914 32.844 31.823 0.178 0.000 1.018 6024 V HN 0.482 nan 8.190 nan 0.000 0.432 6025 P HA 0.404 nan 4.420 nan 0.000 0.281 6025 P C 0.711 178.041 177.300 0.050 0.000 1.281 6025 P CA 0.103 63.229 63.100 0.043 0.000 0.811 6025 P CB 2.209 33.922 31.700 0.021 0.000 1.154 6026 G N -0.725 108.094 108.800 0.031 0.000 2.486 6026 G HA2 -0.040 3.920 3.960 0.000 0.000 0.210 6026 G HA3 -0.040 3.920 3.960 0.000 0.000 0.210 6026 G C 0.331 175.235 174.900 0.008 0.000 1.168 6026 G CA 0.367 45.482 45.100 0.025 0.000 0.820 6026 G HN 0.495 nan 8.290 nan 0.000 0.544 6027 D N 1.060 121.458 120.400 -0.003 0.000 2.317 6027 D HA 0.180 4.820 4.640 0.000 0.000 0.252 6027 D C -1.027 175.268 176.300 -0.008 0.000 1.174 6027 D CA -2.142 51.848 54.000 -0.017 0.000 0.866 6027 D CB 2.181 42.966 40.800 -0.024 0.000 1.127 6027 D HN 0.053 nan 8.370 nan 0.000 0.467 6028 P HA -0.109 nan 4.420 nan 0.000 0.220 6028 P C 0.275 177.578 177.300 0.005 0.000 1.148 6028 P CA 0.865 63.972 63.100 0.012 0.000 0.803 6028 P CB 0.321 32.019 31.700 -0.003 0.000 0.782 6029 E N -0.541 119.650 120.200 -0.015 0.000 2.463 6029 E HA -0.001 4.349 4.350 0.000 0.000 0.191 6029 E C 1.337 177.906 176.600 -0.051 0.000 1.083 6029 E CA 0.083 56.468 56.400 -0.025 0.000 0.872 6029 E CB -0.088 29.597 29.700 -0.026 0.000 0.966 6029 E HN 0.081 nan 8.360 nan 0.000 0.491 6030 R N -0.747 119.721 120.500 -0.053 0.000 2.469 6030 R HA 0.101 4.441 4.340 0.000 0.000 0.250 6030 R C 1.698 177.932 176.300 -0.110 0.000 0.909 6030 R CA 0.086 56.141 56.100 -0.075 0.000 1.050 6030 R CB 0.271 30.544 30.300 -0.045 0.000 1.256 6030 R HN -0.030 nan 8.270 nan 0.000 0.550 6031 V N 0.866 120.721 119.914 -0.099 0.000 2.332 6031 V HA -0.245 3.875 4.120 0.000 0.000 0.248 6031 V C 2.164 178.031 176.094 -0.379 0.000 1.055 6031 V CA 2.258 64.485 62.300 -0.123 0.000 1.038 6031 V CB -0.297 31.536 31.823 0.016 0.000 0.651 6031 V HN 0.405 nan 8.190 nan 0.000 0.450 6032 E N 0.335 120.203 120.200 -0.552 0.000 2.072 6032 E HA -0.264 4.086 4.350 0.000 0.000 0.191 6032 E C 2.141 178.385 176.600 -0.593 0.000 0.985 6032 E CA 1.227 57.053 56.400 -0.957 0.000 0.801 6032 E CB 0.027 29.316 29.700 -0.684 0.000 0.750 6032 E HN 0.482 nan 8.360 nan 0.000 0.452 6033 K N 0.339 120.539 120.400 -0.333 0.000 2.147 6033 K HA -0.062 4.258 4.320 0.000 0.000 0.205 6033 K C 1.857 178.341 176.600 -0.194 0.000 1.049 6033 K CA 1.021 57.177 56.287 -0.219 0.000 0.936 6033 K CB -0.087 32.330 32.500 -0.138 0.000 0.722 6033 K HN 0.274 nan 8.250 nan 0.000 0.446 6034 I N -0.197 120.254 120.570 -0.198 0.000 2.480 6034 I HA -0.122 4.048 4.170 0.000 0.000 0.251 6034 I C 2.126 178.157 176.117 -0.144 0.000 1.124 6034 I CA 0.777 61.996 61.300 -0.136 0.000 1.444 6034 I CB -0.194 37.751 38.000 -0.092 0.000 1.098 6034 I HN 0.074 nan 8.210 nan 0.000 0.428 6035 A N 0.881 123.561 122.820 -0.234 0.000 1.968 6035 A HA -0.043 4.277 4.320 0.000 0.000 0.217 6035 A C 2.542 180.041 177.584 -0.142 0.000 1.169 6035 A CA 1.463 53.404 52.037 -0.160 0.000 0.638 6035 A CB -0.674 18.203 19.000 -0.204 0.000 0.812 6035 A HN 0.382 nan 8.150 nan 0.000 0.446 6036 A N -0.156 122.525 122.820 -0.232 0.000 1.940 6036 A HA -0.070 4.250 4.320 0.000 0.000 0.219 6036 A C 1.860 179.394 177.584 -0.083 0.000 1.176 6036 A CA 1.409 53.356 52.037 -0.150 0.000 0.631 6036 A CB -0.501 18.394 19.000 -0.174 0.000 0.814 6036 A HN 0.414 nan 8.150 nan 0.000 0.446 6037 L N -1.413 119.759 121.223 -0.084 0.000 2.633 6037 L HA 0.040 4.380 4.340 0.000 0.000 0.235 6037 L C 0.820 177.667 176.870 -0.039 0.000 1.163 6037 L CA 0.797 55.602 54.840 -0.059 0.000 0.859 6037 L CB -1.019 41.003 42.059 -0.062 0.000 0.973 6037 L HN 0.505 nan 8.230 nan 0.000 0.451 6038 M N -1.768 117.815 119.600 -0.028 0.000 2.821 6038 M HA 0.312 4.792 4.480 0.000 0.000 0.294 6038 M C -0.520 175.785 176.300 0.008 0.000 1.195 6038 M CA -0.881 54.414 55.300 -0.008 0.000 0.784 6038 M CB 1.395 33.996 32.600 0.001 0.000 1.755 6038 M HN -0.234 nan 8.290 nan 0.000 0.477 6039 D N 1.548 121.956 120.400 0.014 0.000 2.302 6039 D HA 0.156 4.796 4.640 0.000 0.000 0.248 6039 D C -0.450 175.874 176.300 0.041 0.000 1.094 6039 D CA 0.174 54.187 54.000 0.021 0.000 0.897 6039 D CB 0.633 41.440 40.800 0.013 0.000 1.200 6039 D HN 0.413 nan 8.370 nan 0.000 0.429 6040 K N 0.044 120.471 120.400 0.045 0.000 3.540 6040 K HA -0.152 4.168 4.320 0.000 0.000 0.274 6040 K C -2.261 174.399 176.600 0.100 0.000 0.890 6040 K CA 0.051 56.373 56.287 0.058 0.000 0.701 6040 K CB -1.499 31.023 32.500 0.036 0.000 1.523 6040 K HN 0.377 nan 8.250 nan 0.000 0.450 6041 P HA 0.159 nan 4.420 nan 0.000 0.271 6041 P C -0.260 177.231 177.300 0.319 0.000 1.218 6041 P CA -0.163 63.130 63.100 0.321 0.000 0.780 6041 P CB 1.228 33.142 31.700 0.356 0.000 0.901 6042 V N 2.650 122.686 119.914 0.204 0.000 2.777 6042 V HA 0.267 4.387 4.120 0.000 0.000 0.306 6042 V C 0.153 175.733 176.094 -0.856 0.000 1.112 6042 V CA -0.851 61.290 62.300 -0.266 0.000 0.917 6042 V CB 2.149 33.885 31.823 -0.146 0.000 1.018 6042 V HN 0.506 nan 8.190 nan 0.000 0.426 6043 K N 3.175 122.674 120.400 -1.502 0.000 2.297 6043 K HA 0.507 4.827 4.320 0.000 0.000 0.286 6043 K C 0.208 176.368 176.600 -0.733 0.000 1.053 6043 K CA -0.297 54.948 56.287 -1.736 0.000 0.940 6043 K CB 0.920 32.588 32.500 -1.386 0.000 1.019 6043 K HN 0.638 nan 8.250 nan 0.000 0.475 6044 L N 2.591 123.504 121.223 -0.516 0.000 2.265 6044 L HA 0.348 4.688 4.340 0.000 0.000 0.195 6044 L C 0.516 177.261 176.870 -0.209 0.000 1.083 6044 L CA 0.150 54.835 54.840 -0.259 0.000 0.798 6044 L CB 0.174 42.148 42.059 -0.142 0.000 0.989 6044 L HN 0.713 nan 8.230 nan 0.000 0.472 6045 A N -1.140 121.558 122.820 -0.203 0.000 2.601 6045 A HA 0.604 4.924 4.320 0.000 0.000 0.291 6045 A C -1.192 176.227 177.584 -0.274 0.000 1.075 6045 A CA -0.278 51.602 52.037 -0.262 0.000 0.671 6045 A CB 1.613 20.451 19.000 -0.270 0.000 1.277 6045 A HN -0.129 nan 8.150 nan 0.000 0.417 6046 S N 0.772 116.208 115.700 -0.441 0.000 2.620 6046 S HA 0.584 5.054 4.470 0.000 0.000 0.244 6046 S C -1.665 172.739 174.600 -0.328 0.000 1.192 6046 S CA -0.487 57.555 58.200 -0.262 0.000 1.148 6046 S CB -0.012 63.128 63.200 -0.100 0.000 1.106 6046 S HN 0.667 nan 8.310 nan 0.000 0.474 6047 H N 3.904 123.024 119.070 0.082 0.000 2.658 6047 H HA 0.561 5.117 4.556 0.000 0.000 0.337 6047 H C 0.816 176.175 175.328 0.052 0.000 1.009 6047 H CA -0.393 55.698 56.048 0.071 0.000 1.231 6047 H CB 1.296 31.117 29.762 0.098 0.000 1.508 6047 H HN 0.733 nan 8.280 nan 0.000 0.517 6048 R N 0.738 121.296 120.500 0.097 0.000 3.853 6048 R HA -0.264 4.076 4.340 0.000 0.000 0.440 6048 R C 0.975 177.177 176.300 -0.162 0.000 0.241 6048 R CA 1.950 58.023 56.100 -0.046 0.000 1.395 6048 R CB -0.774 29.483 30.300 -0.073 0.000 0.984 6048 R HN 0.775 nan 8.270 nan 0.000 0.570 6049 E N 1.615 121.554 120.200 -0.435 0.000 2.476 6049 E HA 0.053 4.403 4.350 0.000 0.000 0.191 6049 E C -0.101 176.214 176.600 -0.476 0.000 1.064 6049 E CA 0.407 56.517 56.400 -0.483 0.000 0.866 6049 E CB 0.091 29.452 29.700 -0.564 0.000 0.952 6049 E HN 0.371 nan 8.360 nan 0.000 0.492 6050 F N 2.683 122.667 119.950 0.057 0.000 2.318 6050 F HA 0.198 4.725 4.527 0.000 0.000 0.356 6050 F C 0.291 176.114 175.800 0.038 0.000 1.109 6050 F CA -1.019 57.017 58.000 0.061 0.000 1.234 6050 F CB 0.964 40.017 39.000 0.089 0.000 1.545 6050 F HN -0.170 nan 8.300 nan 0.000 0.534 6051 T N -0.808 113.845 114.554 0.165 0.000 2.743 6051 T HA 0.542 4.893 4.350 0.000 0.000 0.293 6051 T C 0.014 174.827 174.700 0.188 0.000 0.945 6051 T CA -0.706 61.470 62.100 0.127 0.000 1.030 6051 T CB 1.147 70.090 68.868 0.126 0.000 0.912 6051 T HN 0.390 nan 8.240 nan 0.000 0.483 6052 S N 2.740 118.529 115.700 0.147 0.000 2.503 6052 S HA 0.769 5.239 4.470 0.000 0.000 0.301 6052 S C -1.308 173.395 174.600 0.173 0.000 1.087 6052 S CA -1.032 57.271 58.200 0.173 0.000 1.042 6052 S CB 0.874 64.134 63.200 0.100 0.000 1.043 6052 S HN 0.816 nan 8.310 nan 0.000 0.489 6053 W N 0.976 122.276 121.300 0.001 0.000 2.902 6053 W HA 0.700 5.360 4.660 0.000 0.000 0.346 6053 W C 0.181 176.695 176.519 -0.008 0.000 1.139 6053 W CA -0.808 56.533 57.345 -0.006 0.000 1.139 6053 W CB 1.923 31.379 29.460 -0.007 0.000 1.439 6053 W HN 0.810 nan 8.180 nan 0.000 0.558 6054 R N 1.425 122.054 120.500 0.214 0.000 2.750 6054 R HA 0.896 5.236 4.340 0.000 0.000 0.281 6054 R C -1.077 175.317 176.300 0.157 0.000 0.972 6054 R CA -0.477 55.696 56.100 0.123 0.000 0.912 6054 R CB 1.758 32.078 30.300 0.032 0.000 1.187 6054 R HN 0.606 nan 8.270 nan 0.000 0.464 6055 A N 2.075 124.955 122.820 0.100 0.000 2.567 6055 A HA 0.490 4.810 4.320 0.000 0.000 0.289 6055 A C -1.676 175.934 177.584 0.043 0.000 1.177 6055 A CA -0.719 51.370 52.037 0.086 0.000 0.694 6055 A CB 1.913 20.962 19.000 0.083 0.000 1.292 6055 A HN 0.735 nan 8.150 nan 0.000 0.425 6056 E N -0.289 119.930 120.200 0.032 0.000 2.234 6056 E HA 0.578 4.928 4.350 0.000 0.000 0.266 6056 E C -2.202 174.402 176.600 0.008 0.000 0.877 6056 E CA -0.594 55.815 56.400 0.015 0.000 0.758 6056 E CB 1.754 31.462 29.700 0.014 0.000 1.170 6056 E HN 0.483 nan 8.360 nan 0.000 0.415 6057 L N 4.706 125.929 121.223 -0.000 0.000 2.372 6057 L HA 0.351 4.691 4.340 0.000 0.000 0.273 6057 L C -1.111 175.755 176.870 -0.007 0.000 0.989 6057 L CA 0.004 54.841 54.840 -0.005 0.000 0.841 6057 L CB 1.277 43.330 42.059 -0.010 0.000 1.225 6057 L HN 0.656 nan 8.230 nan 0.000 0.414 6058 D N 4.240 124.636 120.400 -0.007 0.000 2.772 6058 D HA -0.182 4.458 4.640 0.000 0.000 0.233 6058 D C 1.070 177.366 176.300 -0.006 0.000 1.143 6058 D CA 1.627 55.623 54.000 -0.007 0.000 0.700 6058 D CB -1.143 39.651 40.800 -0.009 0.000 1.076 6058 D HN 1.197 nan 8.370 nan 0.000 0.430 6059 G N -1.171 107.626 108.800 -0.004 0.000 2.143 6059 G HA2 -0.327 3.633 3.960 0.000 0.000 0.248 6059 G HA3 -0.327 3.633 3.960 0.000 0.000 0.248 6059 G C 0.171 175.069 174.900 -0.004 0.000 0.991 6059 G CA 0.597 45.696 45.100 -0.003 0.000 0.689 6059 G HN 0.340 nan 8.290 nan 0.000 0.522 6060 K N 0.001 120.397 120.400 -0.006 0.000 2.371 6060 K HA 0.759 5.079 4.320 0.000 0.000 0.251 6060 K C 0.378 176.974 176.600 -0.007 0.000 0.934 6060 K CA -0.004 56.278 56.287 -0.008 0.000 0.798 6060 K CB 2.025 34.517 32.500 -0.012 0.000 1.204 6060 K HN 0.613 nan 8.250 nan 0.000 0.427 6061 A N 1.857 124.671 122.820 -0.009 0.000 2.407 6061 A HA 0.501 4.821 4.320 0.000 0.000 0.248 6061 A C -0.314 177.262 177.584 -0.013 0.000 1.082 6061 A CA -0.179 51.855 52.037 -0.006 0.000 0.785 6061 A CB 0.403 19.398 19.000 -0.008 0.000 1.020 6061 A HN 0.350 nan 8.150 nan 0.000 0.489 6062 V N 2.245 122.157 119.914 -0.004 0.000 2.971 6062 V HA 0.443 4.563 4.120 0.000 0.000 0.309 6062 V C -0.986 175.112 176.094 0.006 0.000 1.130 6062 V CA -0.411 61.881 62.300 -0.013 0.000 0.964 6062 V CB 1.951 33.768 31.823 -0.010 0.000 1.029 6062 V HN 0.789 nan 8.190 nan 0.000 0.427 6063 I N 2.618 123.183 120.570 -0.008 0.000 2.530 6063 I HA 0.634 4.804 4.170 0.000 0.000 0.297 6063 I C -0.501 175.639 176.117 0.038 0.000 1.011 6063 I CA -0.407 60.907 61.300 0.023 0.000 1.107 6063 I CB 2.183 40.183 38.000 0.000 0.000 1.285 6063 I HN 0.347 nan 8.210 nan 0.000 0.436 6064 V N 4.988 124.957 119.914 0.091 0.000 2.376 6064 V HA 0.406 4.526 4.120 0.000 0.000 0.287 6064 V C -0.853 175.319 176.094 0.130 0.000 1.015 6064 V CA -0.571 61.783 62.300 0.090 0.000 0.834 6064 V CB 1.403 33.271 31.823 0.076 0.000 1.001 6064 V HN 0.839 nan 8.190 nan 0.000 0.428 6065 C N 5.561 124.933 119.300 0.119 0.000 2.397 6065 C HA 0.698 5.158 4.460 0.000 0.000 0.325 6065 C C 0.760 175.847 174.990 0.162 0.000 1.201 6065 C CA -0.426 58.682 59.018 0.150 0.000 1.377 6065 C CB 0.798 28.621 27.740 0.139 0.000 2.038 6065 C HN 1.038 nan 8.230 nan 0.000 0.457 6066 S N 3.692 119.496 115.700 0.173 0.000 2.568 6066 S HA 0.242 4.712 4.470 0.000 0.000 0.282 6066 S C 1.023 175.775 174.600 0.254 0.000 1.338 6066 S CA 0.580 58.874 58.200 0.158 0.000 1.045 6066 S CB 1.214 64.480 63.200 0.111 0.000 0.873 6066 S HN 1.080 nan 8.310 nan 0.000 0.516 6067 T N -0.568 114.107 114.554 0.201 0.000 3.023 6067 T HA 0.538 4.888 4.350 0.000 0.000 0.249 6067 T C 1.183 176.021 174.700 0.232 0.000 1.050 6067 T CA 0.480 62.741 62.100 0.267 0.000 1.088 6067 T CB -0.819 68.138 68.868 0.148 0.000 0.946 6067 T HN 2.106 nan 8.240 nan 0.000 0.480 6068 G N 1.161 110.001 108.800 0.067 0.000 2.655 6068 G HA2 -0.025 3.935 3.960 0.000 0.000 0.680 6068 G HA3 -0.025 3.935 3.960 0.000 0.000 0.680 6068 G C -0.824 174.072 174.900 -0.007 0.000 1.302 6068 G CA -0.604 44.471 45.100 -0.041 0.000 0.872 6068 G HN 0.593 nan 8.290 nan 0.000 0.540 6069 I N 2.156 122.706 120.570 -0.034 0.000 2.371 6069 I HA 0.513 4.683 4.170 0.000 0.000 0.290 6069 I C 1.131 177.246 176.117 -0.003 0.000 1.028 6069 I CA 1.010 62.299 61.300 -0.018 0.000 1.345 6069 I CB 0.554 38.531 38.000 -0.038 0.000 1.407 6069 I HN 2.028 nan 8.210 nan 0.000 0.501 6070 G N 4.047 112.852 108.800 0.009 0.000 2.690 6070 G HA2 -0.117 3.843 3.960 0.000 0.000 0.686 6070 G HA3 -0.117 3.843 3.960 0.000 0.000 0.686 6070 G C 0.560 175.470 174.900 0.016 0.000 1.277 6070 G CA -0.438 44.669 45.100 0.011 0.000 0.799 6070 G HN 0.908 nan 8.290 nan 0.000 0.613 6071 G N 0.038 108.844 108.800 0.009 0.000 2.422 6071 G HA2 0.142 4.102 3.960 0.000 0.000 0.218 6071 G HA3 0.142 4.102 3.960 0.000 0.000 0.218 6071 G C 0.070 174.979 174.900 0.016 0.000 1.140 6071 G CA 1.917 47.022 45.100 0.009 0.000 0.775 6071 G HN 0.668 nan 8.290 nan 0.000 0.545 6072 P HA -0.070 nan 4.420 nan 0.000 0.216 6072 P C 2.288 179.617 177.300 0.047 0.000 1.153 6072 P CA 1.645 64.748 63.100 0.004 0.000 0.848 6072 P CB 0.009 31.704 31.700 -0.008 0.000 0.787 6073 S N -1.710 114.035 115.700 0.074 0.000 2.368 6073 S HA -0.117 4.353 4.470 0.000 0.000 0.224 6073 S C 1.909 176.646 174.600 0.228 0.000 1.029 6073 S CA 1.926 60.233 58.200 0.178 0.000 0.988 6073 S CB -1.308 61.950 63.200 0.097 0.000 0.838 6073 S HN 0.104 nan 8.310 nan 0.000 0.462 6074 T N 1.892 116.516 114.554 0.116 0.000 2.708 6074 T HA -0.112 4.238 4.350 0.000 0.000 0.266 6074 T C 2.231 176.921 174.700 -0.017 0.000 1.037 6074 T CA 1.749 63.886 62.100 0.062 0.000 1.146 6074 T CB -0.701 68.171 68.868 0.006 0.000 0.865 6074 T HN 0.726 nan 8.240 nan 0.000 0.435 6075 S N 1.517 117.212 115.700 -0.008 0.000 2.387 6075 S HA -0.109 4.361 4.470 0.000 0.000 0.230 6075 S C 2.063 176.649 174.600 -0.025 0.000 1.035 6075 S CA 1.027 59.225 58.200 -0.004 0.000 1.014 6075 S CB -0.867 62.430 63.200 0.162 0.000 0.836 6075 S HN 0.513 nan 8.310 nan 0.000 0.466 6076 I N 2.190 122.726 120.570 -0.057 0.000 2.163 6076 I HA -0.134 4.036 4.170 0.000 0.000 0.240 6076 I C 3.155 179.111 176.117 -0.268 0.000 1.081 6076 I CA 1.125 62.319 61.300 -0.178 0.000 1.353 6076 I CB -0.841 36.962 38.000 -0.327 0.000 1.054 6076 I HN 0.445 nan 8.210 nan 0.000 0.407 6077 A N 0.544 123.162 122.820 -0.336 0.000 1.873 6077 A HA -0.193 4.127 4.320 0.000 0.000 0.218 6077 A C 2.423 179.948 177.584 -0.099 0.000 1.193 6077 A CA 2.137 53.994 52.037 -0.299 0.000 0.629 6077 A CB -1.117 17.819 19.000 -0.106 0.000 0.826 6077 A HN 0.251 nan 8.150 nan 0.000 0.447 6078 V N 0.050 119.884 119.914 -0.134 0.000 2.343 6078 V HA -0.236 3.884 4.120 0.000 0.000 0.247 6078 V C 2.641 178.665 176.094 -0.117 0.000 1.051 6078 V CA 2.471 64.613 62.300 -0.263 0.000 1.036 6078 V CB -0.736 30.722 31.823 -0.609 0.000 0.654 6078 V HN 0.747 nan 8.190 nan 0.000 0.451 6079 E N 0.769 120.916 120.200 -0.089 0.000 2.077 6079 E HA -0.218 4.132 4.350 0.000 0.000 0.193 6079 E C 2.110 178.733 176.600 0.039 0.000 0.989 6079 E CA 1.796 58.194 56.400 -0.004 0.000 0.800 6079 E CB -0.224 29.500 29.700 0.040 0.000 0.746 6079 E HN 0.697 nan 8.360 nan 0.000 0.452 6080 E N -0.194 120.017 120.200 0.018 0.000 2.158 6080 E HA -0.050 4.301 4.350 0.000 0.000 0.191 6080 E C 2.253 178.889 176.600 0.060 0.000 0.982 6080 E CA 0.570 56.993 56.400 0.040 0.000 0.823 6080 E CB -0.045 29.665 29.700 0.016 0.000 0.766 6080 E HN 0.304 nan 8.360 nan 0.000 0.468 6081 L N 0.741 122.018 121.223 0.089 0.000 2.156 6081 L HA -0.100 4.240 4.340 0.000 0.000 0.208 6081 L C 2.537 179.508 176.870 0.167 0.000 1.095 6081 L CA 0.767 55.688 54.840 0.135 0.000 0.770 6081 L CB -0.318 41.881 42.059 0.234 0.000 0.914 6081 L HN 0.128 nan 8.230 nan 0.000 0.439 6082 A N -0.574 122.392 122.820 0.243 0.000 1.898 6082 A HA -0.224 4.096 4.320 0.000 0.000 0.216 6082 A C 2.180 179.831 177.584 0.112 0.000 1.181 6082 A CA 1.230 53.402 52.037 0.225 0.000 0.620 6082 A CB -0.401 18.725 19.000 0.211 0.000 0.819 6082 A HN 0.412 nan 8.150 nan 0.000 0.442 6083 Q N -0.466 119.388 119.800 0.089 0.000 2.135 6083 Q HA -0.109 4.231 4.340 0.000 0.000 0.204 6083 Q C 1.821 177.852 176.000 0.052 0.000 0.981 6083 Q CA 1.387 57.228 55.803 0.064 0.000 0.856 6083 Q CB -0.325 28.449 28.738 0.061 0.000 0.902 6083 Q HN 0.666 nan 8.270 nan 0.000 0.425 6084 L N -1.258 119.997 121.223 0.052 0.000 2.551 6084 L HA -0.022 4.318 4.340 0.000 0.000 0.228 6084 L C 1.249 178.132 176.870 0.021 0.000 1.153 6084 L CA 0.741 55.601 54.840 0.034 0.000 0.851 6084 L CB -0.000 42.078 42.059 0.032 0.000 0.959 6084 L HN 0.511 nan 8.230 nan 0.000 0.451 6085 G N -0.819 107.996 108.800 0.025 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 0.241 175.128 174.900 -0.022 0.000 1.004 6085 G CA -0.690 44.414 45.100 0.007 0.000 0.670 6085 G HN 0.042 nan 8.290 nan 0.000 0.496 6086 I N 0.938 121.482 120.570 -0.044 0.000 2.634 6086 I HA 0.375 4.546 4.170 0.000 0.000 0.284 6086 I C 1.308 177.347 176.117 -0.129 0.000 1.124 6086 I CA 0.142 61.333 61.300 -0.182 0.000 1.417 6086 I CB 1.130 38.897 38.000 -0.389 0.000 1.396 6086 I HN 0.085 nan 8.210 nan 0.000 0.571 6087 R N 2.438 122.831 120.500 -0.178 0.000 2.507 6087 R HA 0.176 4.516 4.340 0.000 0.000 0.230 6087 R C -0.158 176.131 176.300 -0.017 0.000 0.897 6087 R CA 0.278 56.366 56.100 -0.020 0.000 1.006 6087 R CB 0.451 30.752 30.300 0.000 0.000 1.341 6087 R HN 0.527 nan 8.270 nan 0.000 0.604 6088 T N 1.764 116.192 114.554 -0.209 0.000 2.792 6088 T HA 0.580 4.930 4.350 0.000 0.000 0.280 6088 T C -0.981 173.533 174.700 -0.310 0.000 0.990 6088 T CA -0.254 61.781 62.100 -0.109 0.000 0.960 6088 T CB 1.067 69.893 68.868 -0.071 0.000 0.939 6088 T HN -0.178 nan 8.240 nan 0.000 0.439 6089 F N 2.734 122.678 119.950 -0.010 0.000 2.449 6089 F HA 0.542 5.069 4.527 0.000 0.000 0.342 6089 F C -0.121 175.673 175.800 -0.010 0.000 1.127 6089 F CA -1.131 56.863 58.000 -0.011 0.000 0.975 6089 F CB 1.237 40.226 39.000 -0.019 0.000 1.146 6089 F HN 0.216 nan 8.300 nan 0.000 0.444 6090 L N 4.534 125.830 121.223 0.122 0.000 2.294 6090 L HA 0.510 4.850 4.340 0.000 0.000 0.283 6090 L C -0.031 176.889 176.870 0.082 0.000 1.015 6090 L CA -0.602 54.283 54.840 0.075 0.000 0.831 6090 L CB 1.623 43.697 42.059 0.026 0.000 1.217 6090 L HN 0.592 nan 8.230 nan 0.000 0.420 6091 R N 3.189 123.734 120.500 0.075 0.000 2.297 6091 R HA 0.526 4.866 4.340 0.000 0.000 0.308 6091 R C -1.011 175.312 176.300 0.039 0.000 1.029 6091 R CA -0.674 55.463 56.100 0.062 0.000 0.929 6091 R CB 1.551 31.882 30.300 0.051 0.000 1.046 6091 R HN 0.508 nan 8.270 nan 0.000 0.461 6092 I N 3.337 123.928 120.570 0.035 0.000 2.389 6092 I HA 0.583 4.753 4.170 0.000 0.000 0.288 6092 I C -0.691 175.439 176.117 0.022 0.000 0.999 6092 I CA 0.014 61.329 61.300 0.024 0.000 1.129 6092 I CB 1.773 39.782 38.000 0.016 0.000 1.288 6092 I HN 0.690 nan 8.210 nan 0.000 0.444 6093 G N 4.112 112.924 108.800 0.021 0.000 2.866 6093 G HA2 0.695 4.655 3.960 0.000 0.000 0.289 6093 G HA3 0.695 4.655 3.960 0.000 0.000 0.289 6093 G C -0.993 173.919 174.900 0.020 0.000 1.396 6093 G CA -0.258 44.855 45.100 0.020 0.000 0.848 6093 G HN 0.651 nan 8.290 nan 0.000 0.515 6094 T N -2.921 111.647 114.554 0.023 0.000 2.948 6094 T HA 0.791 5.141 4.350 0.000 0.000 0.285 6094 T C -0.244 174.476 174.700 0.034 0.000 1.019 6094 T CA -0.599 61.517 62.100 0.026 0.000 1.013 6094 T CB 2.045 70.930 68.868 0.028 0.000 1.117 6094 T HN 0.997 nan 8.240 nan 0.000 0.533 6095 T N -1.163 113.411 114.554 0.033 0.000 2.827 6095 T HA 0.584 4.934 4.350 0.000 0.000 0.328 6095 T C -0.999 173.717 174.700 0.027 0.000 1.598 6095 T CA -0.390 61.731 62.100 0.034 0.000 1.043 6095 T CB 1.168 70.047 68.868 0.018 0.000 1.447 6095 T HN 1.189 nan 8.240 nan 0.000 0.491 6096 G N 1.667 110.487 108.800 0.033 0.000 2.468 6096 G HA2 0.640 4.601 3.960 0.000 0.000 0.320 6096 G HA3 0.640 4.601 3.960 0.000 0.000 0.320 6096 G C 0.105 175.012 174.900 0.012 0.000 1.137 6096 G CA -0.079 45.036 45.100 0.025 0.000 0.984 6096 G HN 0.988 nan 8.290 nan 0.000 0.462 6097 A N 2.617 125.416 122.820 -0.035 0.000 2.440 6097 A HA 0.451 4.771 4.320 0.000 0.000 0.251 6097 A C 1.246 178.778 177.584 -0.086 0.000 1.089 6097 A CA -0.351 51.630 52.037 -0.094 0.000 0.779 6097 A CB 0.107 19.025 19.000 -0.137 0.000 1.022 6097 A HN 1.207 nan 8.150 nan 0.000 0.492 6098 I N -1.366 119.127 120.570 -0.128 0.000 4.018 6098 I HA 0.186 4.356 4.170 0.000 0.000 0.337 6098 I C -0.090 175.972 176.117 -0.093 0.000 1.327 6098 I CA -0.222 61.022 61.300 -0.093 0.000 1.100 6098 I CB 0.074 37.988 38.000 -0.143 0.000 1.025 6098 I HN 0.385 nan 8.210 nan 0.000 0.396 6099 Q N 3.073 122.771 119.800 -0.169 0.000 2.271 6099 Q HA 0.336 4.676 4.340 0.000 0.000 0.258 6099 Q C -1.757 174.109 176.000 -0.224 0.000 0.936 6099 Q CA -2.085 53.603 55.803 -0.191 0.000 0.909 6099 Q CB 1.777 30.302 28.738 -0.355 0.000 1.253 6099 Q HN 0.064 nan 8.270 nan 0.000 0.440 6100 P HA -0.205 nan 4.420 nan 0.000 0.219 6100 P C 0.799 178.079 177.300 -0.034 0.000 1.146 6100 P CA 1.592 64.674 63.100 -0.030 0.000 0.808 6100 P CB 0.103 31.823 31.700 0.034 0.000 0.779 6101 H N -1.326 117.713 119.070 -0.052 0.000 2.548 6101 H HA 0.171 4.727 4.556 0.000 0.000 0.268 6101 H C 0.531 175.816 175.328 -0.072 0.000 0.975 6101 H CA -0.315 55.706 56.048 -0.045 0.000 1.195 6101 H CB -0.677 29.067 29.762 -0.030 0.000 1.397 6101 H HN 0.083 nan 8.280 nan 0.000 0.572 6102 I N 3.002 123.257 120.570 -0.525 0.000 2.416 6102 I HA 0.027 4.197 4.170 0.000 0.000 0.288 6102 I C 0.431 176.463 176.117 -0.141 0.000 1.051 6102 I CA -0.171 60.903 61.300 -0.377 0.000 1.375 6102 I CB 0.950 38.663 38.000 -0.478 0.000 1.407 6102 I HN 0.179 nan 8.210 nan 0.000 0.516 6103 N N 4.794 123.471 118.700 -0.039 0.000 2.487 6103 N HA 0.332 5.072 4.740 0.000 0.000 0.292 6103 N C -0.822 174.677 175.510 -0.018 0.000 1.108 6103 N CA -0.511 52.529 53.050 -0.016 0.000 0.956 6103 N CB 1.286 39.780 38.487 0.012 0.000 1.176 6103 N HN 0.271 nan 8.380 nan 0.000 0.484 6104 V N 2.554 122.457 119.914 -0.019 0.000 2.557 6104 V HA 0.250 4.370 4.120 0.000 0.000 0.301 6104 V C 1.508 177.588 176.094 -0.023 0.000 1.026 6104 V CA 1.887 64.177 62.300 -0.017 0.000 1.137 6104 V CB 0.080 31.897 31.823 -0.011 0.000 0.917 6104 V HN 1.041 nan 8.190 nan 0.000 0.484 6105 G N 4.037 112.823 108.800 -0.023 0.000 2.213 6105 G HA2 -0.183 3.777 3.960 0.000 0.000 0.236 6105 G HA3 -0.183 3.777 3.960 0.000 0.000 0.236 6105 G C 0.010 174.882 174.900 -0.045 0.000 0.991 6105 G CA 0.028 45.100 45.100 -0.046 0.000 0.629 6105 G HN 0.662 nan 8.290 nan 0.000 0.517 6106 D N 0.291 120.686 120.400 -0.008 0.000 2.382 6106 D HA 0.438 5.078 4.640 0.000 0.000 0.240 6106 D C 0.577 176.904 176.300 0.044 0.000 1.146 6106 D CA 0.189 54.210 54.000 0.035 0.000 0.897 6106 D CB 1.595 42.470 40.800 0.125 0.000 1.197 6106 D HN 0.197 nan 8.370 nan 0.000 0.432 6107 V N 2.950 122.894 119.914 0.051 0.000 2.370 6107 V HA 0.267 4.387 4.120 0.000 0.000 0.279 6107 V C 0.118 176.253 176.094 0.069 0.000 1.029 6107 V CA -0.661 61.668 62.300 0.047 0.000 0.870 6107 V CB 0.922 32.767 31.823 0.037 0.000 0.984 6107 V HN 0.258 nan 8.190 nan 0.000 0.451 6108 L N 5.864 127.124 121.223 0.061 0.000 2.280 6108 L HA 0.571 4.911 4.340 0.000 0.000 0.287 6108 L C -0.467 176.426 176.870 0.038 0.000 1.023 6108 L CA -0.701 54.179 54.840 0.068 0.000 0.819 6108 L CB 1.661 43.746 42.059 0.044 0.000 1.212 6108 L HN 0.325 nan 8.230 nan 0.000 0.420 6109 V N 2.196 122.131 119.914 0.036 0.000 2.407 6109 V HA 0.273 4.393 4.120 0.000 0.000 0.278 6109 V C 0.456 176.560 176.094 0.017 0.000 1.037 6109 V CA -0.279 62.031 62.300 0.017 0.000 0.900 6109 V CB 1.613 33.438 31.823 0.005 0.000 0.983 6109 V HN 0.725 nan 8.190 nan 0.000 0.459 6110 T N 3.362 117.922 114.554 0.008 0.000 2.744 6110 T HA 0.230 4.580 4.350 0.000 0.000 0.291 6110 T C 1.264 175.969 174.700 0.008 0.000 0.957 6110 T CA 0.130 62.233 62.100 0.004 0.000 1.002 6110 T CB 1.283 70.148 68.868 -0.005 0.000 0.919 6110 T HN 0.966 nan 8.240 nan 0.000 0.468 6111 T N 0.528 115.089 114.554 0.012 0.000 2.937 6111 T HA 0.481 4.831 4.350 0.000 0.000 0.260 6111 T C 0.705 175.416 174.700 0.019 0.000 1.051 6111 T CA 0.276 62.390 62.100 0.023 0.000 1.141 6111 T CB 0.170 69.058 68.868 0.034 0.000 0.879 6111 T HN 0.766 nan 8.240 nan 0.000 0.459 6112 A N 0.095 122.917 122.820 0.003 0.000 2.599 6112 A HA 0.665 4.985 4.320 0.000 0.000 0.294 6112 A C -0.952 176.616 177.584 -0.027 0.000 1.055 6112 A CA -0.869 51.166 52.037 -0.004 0.000 0.683 6112 A CB 1.276 20.273 19.000 -0.004 0.000 1.278 6112 A HN 0.254 nan 8.150 nan 0.000 0.412 6113 S N -0.284 115.397 115.700 -0.032 0.000 2.566 6113 S HA 0.648 5.118 4.470 0.000 0.000 0.298 6113 S C -0.351 174.194 174.600 -0.091 0.000 1.083 6113 S CA -0.657 57.502 58.200 -0.069 0.000 0.978 6113 S CB 1.740 64.908 63.200 -0.053 0.000 1.073 6113 S HN 0.903 nan 8.310 nan 0.000 0.491 6114 V N 2.672 122.476 119.914 -0.183 0.000 2.508 6114 V HA 0.202 4.322 4.120 0.000 0.000 0.281 6114 V C 0.562 176.574 176.094 -0.136 0.000 1.041 6114 V CA -0.249 61.911 62.300 -0.235 0.000 1.016 6114 V CB 0.106 31.570 31.823 -0.600 0.000 0.984 6114 V HN 0.713 nan 8.190 nan 0.000 0.478 6115 R N 5.346 125.822 120.500 -0.040 0.000 3.247 6115 R HA 0.258 4.598 4.340 0.000 0.000 0.212 6115 R C 0.184 176.520 176.300 0.060 0.000 1.604 6115 R CA -0.069 56.045 56.100 0.022 0.000 1.279 6115 R CB -0.148 30.191 30.300 0.066 0.000 1.277 6115 R HN 0.665 nan 8.270 nan 0.000 0.669 6116 L N 1.515 122.769 121.223 0.051 0.000 2.728 6116 L HA 0.077 4.417 4.340 0.000 0.000 0.235 6116 L C 0.546 177.489 176.870 0.123 0.000 1.197 6116 L CA -0.193 54.737 54.840 0.150 0.000 0.992 6116 L CB -0.765 41.392 42.059 0.163 0.000 1.263 6116 L HN 0.515 nan 8.230 nan 0.000 0.484 6117 D N -0.833 119.620 120.400 0.087 0.000 2.570 6117 D HA 0.369 5.009 4.640 0.000 0.000 0.266 6117 D C 0.870 177.221 176.300 0.085 0.000 1.182 6117 D CA 0.078 54.119 54.000 0.068 0.000 1.088 6117 D CB 1.242 42.069 40.800 0.044 0.000 1.186 6117 D HN -0.092 nan 8.370 nan 0.000 0.618 6118 G N -1.826 107.011 108.800 0.062 0.000 2.371 6118 G HA2 0.278 4.238 3.960 0.000 0.000 0.177 6118 G HA3 0.278 4.238 3.960 0.000 0.000 0.177 6118 G C 1.145 176.071 174.900 0.044 0.000 1.427 6118 G CA 0.690 45.834 45.100 0.072 0.000 0.739 6118 G HN 0.627 nan 8.290 nan 0.000 1.033 6119 A N 1.783 124.582 122.820 -0.035 0.000 1.969 6119 A HA 0.065 4.385 4.320 0.000 0.000 0.218 6119 A C 2.616 180.311 177.584 0.185 0.000 1.169 6119 A CA 2.480 54.455 52.037 -0.103 0.000 0.635 6119 A CB -0.609 18.369 19.000 -0.037 0.000 0.810 6119 A HN 0.915 nan 8.150 nan 0.000 0.445 6120 S N 0.204 116.021 115.700 0.195 0.000 2.399 6120 S HA -0.092 4.378 4.470 0.000 0.000 0.231 6120 S C 1.683 176.439 174.600 0.260 0.000 1.022 6120 S CA 1.372 59.727 58.200 0.258 0.000 0.983 6120 S CB -0.720 62.566 63.200 0.143 0.000 0.803 6120 S HN 0.451 nan 8.310 nan 0.000 0.480 6121 L N 0.719 122.068 121.223 0.210 0.000 2.456 6121 L HA -0.003 4.337 4.340 0.000 0.000 0.224 6121 L C 2.338 179.287 176.870 0.131 0.000 1.148 6121 L CA 0.994 55.934 54.840 0.168 0.000 0.825 6121 L CB -0.620 41.537 42.059 0.164 0.000 0.937 6121 L HN 0.501 nan 8.230 nan 0.000 0.450 6122 H N -1.905 117.115 119.070 -0.084 0.000 2.548 6122 H HA 0.028 4.584 4.556 0.000 0.000 0.265 6122 H C 1.283 176.247 175.328 -0.606 0.000 0.969 6122 H CA 0.628 56.470 56.048 -0.344 0.000 1.155 6122 H CB 0.499 29.982 29.762 -0.465 0.000 1.394 6122 H HN 0.346 nan 8.280 nan 0.000 0.570 6123 F N -0.412 119.550 119.950 0.020 0.000 2.667 6123 F HA 0.413 4.941 4.527 0.000 0.000 0.288 6123 F C 0.920 176.619 175.800 -0.168 0.000 1.086 6123 F CA 0.023 57.974 58.000 -0.081 0.000 1.297 6123 F CB 0.932 39.867 39.000 -0.109 0.000 1.059 6123 F HN -0.043 nan 8.300 nan 0.000 0.624 6124 A N -0.355 122.471 122.820 0.009 0.000 2.606 6124 A HA 0.723 5.043 4.320 0.000 0.000 0.293 6124 A C -2.844 174.761 177.584 0.035 0.000 1.082 6124 A CA -1.625 50.355 52.037 -0.095 0.000 0.685 6124 A CB 0.663 19.400 19.000 -0.437 0.000 1.284 6124 A HN -0.186 nan 8.150 nan 0.000 0.408 6125 P HA 0.272 nan 4.420 nan 0.000 0.274 6125 P C 0.900 178.284 177.300 0.141 0.000 1.246 6125 P CA -0.479 62.676 63.100 0.091 0.000 0.795 6125 P CB 0.383 32.133 31.700 0.084 0.000 1.006 6126 M N 1.488 121.157 119.600 0.115 0.000 2.337 6126 M HA -0.194 4.286 4.480 0.000 0.000 0.261 6126 M C 1.447 177.824 176.300 0.129 0.000 1.067 6126 M CA 1.678 57.050 55.300 0.120 0.000 1.074 6126 M CB -0.914 31.743 32.600 0.094 0.000 1.395 6126 M HN 0.341 nan 8.290 nan 0.000 0.431 6127 E N -1.141 119.134 120.200 0.125 0.000 2.338 6127 E HA -0.159 4.192 4.350 0.000 0.000 0.197 6127 E C 0.352 177.022 176.600 0.118 0.000 1.007 6127 E CA 0.279 56.740 56.400 0.103 0.000 0.849 6127 E CB -0.850 28.900 29.700 0.084 0.000 0.774 6127 E HN 0.488 nan 8.360 nan 0.000 0.506 6128 F N 4.537 124.509 119.950 0.037 0.000 2.456 6128 F HA 0.204 4.731 4.527 0.000 0.000 0.358 6128 F C -2.032 173.787 175.800 0.033 0.000 1.095 6128 F CA -2.854 55.168 58.000 0.036 0.000 1.216 6128 F CB 0.727 39.754 39.000 0.045 0.000 1.125 6128 F HN -0.182 nan 8.300 nan 0.000 0.549 6129 P HA 0.147 nan 4.420 nan 0.000 0.276 6129 P C -1.238 176.105 177.300 0.072 0.000 1.235 6129 P CA -0.355 62.679 63.100 -0.110 0.000 0.772 6129 P CB 1.198 32.764 31.700 -0.224 0.000 0.871 6130 A N 4.255 127.139 122.820 0.105 0.000 3.037 6130 A HA 0.292 4.612 4.320 0.000 0.000 0.272 6130 A C 0.211 177.829 177.584 0.058 0.000 1.723 6130 A CA -0.358 51.748 52.037 0.114 0.000 1.413 6130 A CB -0.822 18.219 19.000 0.068 0.000 1.112 6130 A HN 0.482 nan 8.150 nan 0.000 0.606 6131 V N 1.695 121.647 119.914 0.064 0.000 2.630 6131 V HA 0.764 4.884 4.120 0.000 0.000 0.305 6131 V C 0.535 176.663 176.094 0.057 0.000 1.046 6131 V CA -0.158 62.164 62.300 0.037 0.000 0.934 6131 V CB 1.601 33.426 31.823 0.003 0.000 1.003 6131 V HN 0.921 nan 8.190 nan 0.000 0.451 6132 A N 4.306 127.156 122.820 0.050 0.000 2.271 6132 A HA 0.428 4.748 4.320 0.000 0.000 0.288 6132 A C 0.095 177.725 177.584 0.077 0.000 1.094 6132 A CA -0.510 51.559 52.037 0.054 0.000 0.828 6132 A CB 0.416 19.437 19.000 0.036 0.000 1.091 6132 A HN 0.942 nan 8.150 nan 0.000 0.493 6133 D N 0.132 120.578 120.400 0.076 0.000 2.424 6133 D HA -0.025 4.615 4.640 0.000 0.000 0.244 6133 D C 0.607 176.970 176.300 0.104 0.000 1.134 6133 D CA -0.041 54.018 54.000 0.098 0.000 0.881 6133 D CB 0.376 41.225 40.800 0.080 0.000 1.191 6133 D HN 0.401 nan 8.370 nan 0.000 0.445 6134 F N 4.077 124.039 119.950 0.019 0.000 2.134 6134 F HA -0.108 4.419 4.527 0.000 0.000 0.299 6134 F C 2.096 177.904 175.800 0.014 0.000 1.097 6134 F CA 1.761 59.768 58.000 0.013 0.000 1.264 6134 F CB -0.356 38.650 39.000 0.010 0.000 1.001 6134 F HN 0.517 nan 8.300 nan 0.000 0.479 6135 A N -0.413 122.376 122.820 -0.052 0.000 1.877 6135 A HA -0.214 4.106 4.320 0.000 0.000 0.216 6135 A C 2.389 179.881 177.584 -0.154 0.000 1.186 6135 A CA 1.833 53.792 52.037 -0.131 0.000 0.620 6135 A CB -1.655 17.349 19.000 0.007 0.000 0.822 6135 A HN 0.563 nan 8.150 nan 0.000 0.443 6136 C N -1.057 118.198 119.300 -0.075 0.000 2.413 6136 C HA -0.094 4.366 4.460 0.000 0.000 0.276 6136 C C 3.020 177.953 174.990 -0.094 0.000 1.236 6136 C CA 1.529 60.513 59.018 -0.057 0.000 1.735 6136 C CB -1.650 26.087 27.740 -0.005 0.000 2.031 6136 C HN 0.641 nan 8.230 nan 0.000 0.474 6137 T N 0.568 115.049 114.554 -0.122 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 -0.200 0.000 1.039 6137 T CA 2.135 64.156 62.100 -0.131 0.000 1.142 6137 T CB -0.494 68.309 68.868 -0.108 0.000 0.866 6137 T HN 0.606 nan 8.240 nan 0.000 0.444 6138 T N 1.921 116.260 114.554 -0.357 0.000 2.708 6138 T HA -0.043 4.307 4.350 0.000 0.000 0.266 6138 T C 2.395 176.981 174.700 -0.189 0.000 1.037 6138 T CA 1.219 63.102 62.100 -0.361 0.000 1.146 6138 T CB -0.546 67.993 68.868 -0.549 0.000 0.865 6138 T HN 0.438 nan 8.240 nan 0.000 0.435 6139 A N 1.096 123.825 122.820 -0.152 0.000 1.902 6139 A HA 0.008 4.328 4.320 0.000 0.000 0.217 6139 A C 2.307 179.849 177.584 -0.069 0.000 1.181 6139 A CA 1.232 53.215 52.037 -0.091 0.000 0.623 6139 A CB -0.838 18.120 19.000 -0.070 0.000 0.818 6139 A HN 0.476 nan 8.150 nan 0.000 0.443 6140 L N -0.641 120.541 121.223 -0.068 0.000 2.056 6140 L HA -0.153 4.187 4.340 0.000 0.000 0.207 6140 L C 2.538 179.382 176.870 -0.043 0.000 1.078 6140 L CA 1.021 55.834 54.840 -0.045 0.000 0.749 6140 L CB -0.565 41.473 42.059 -0.035 0.000 0.901 6140 L HN 0.246 nan 8.230 nan 0.000 0.433 6141 V N -0.132 119.745 119.914 -0.060 0.000 2.295 6141 V HA -0.267 3.853 4.120 0.000 0.000 0.246 6141 V C 2.387 178.454 176.094 -0.045 0.000 1.049 6141 V CA 1.859 64.129 62.300 -0.051 0.000 1.024 6141 V CB -0.492 31.293 31.823 -0.063 0.000 0.648 6141 V HN 0.461 nan 8.190 nan 0.000 0.447 6142 E N 0.337 120.505 120.200 -0.053 0.000 2.072 6142 E HA -0.175 4.175 4.350 0.000 0.000 0.191 6142 E C 2.327 178.908 176.600 -0.032 0.000 0.985 6142 E CA 1.252 57.627 56.400 -0.041 0.000 0.801 6142 E CB -0.335 29.337 29.700 -0.046 0.000 0.750 6142 E HN 0.592 nan 8.360 nan 0.000 0.452 6143 A N 1.628 124.428 122.820 -0.033 0.000 1.933 6143 A HA -0.113 4.207 4.320 0.000 0.000 0.218 6143 A C 2.400 179.973 177.584 -0.018 0.000 1.175 6143 A CA 1.669 53.691 52.037 -0.026 0.000 0.628 6143 A CB -0.543 18.441 19.000 -0.027 0.000 0.814 6143 A HN 0.288 nan 8.150 nan 0.000 0.444 6144 A N -0.228 122.583 122.820 -0.016 0.000 1.930 6144 A HA -0.134 4.186 4.320 0.000 0.000 0.217 6144 A C 2.163 179.744 177.584 -0.006 0.000 1.175 6144 A CA 1.908 53.942 52.037 -0.004 0.000 0.627 6144 A CB -0.389 18.607 19.000 -0.007 0.000 0.815 6144 A HN 0.397 nan 8.150 nan 0.000 0.443 6145 K N 0.546 120.937 120.400 -0.016 0.000 2.057 6145 K HA -0.094 4.226 4.320 0.000 0.000 0.207 6145 K C 2.024 178.617 176.600 -0.011 0.000 1.049 6145 K CA 1.848 58.126 56.287 -0.016 0.000 0.931 6145 K CB -0.527 31.962 32.500 -0.020 0.000 0.714 6145 K HN 0.385 nan 8.250 nan 0.000 0.440 6146 S N 1.195 116.887 115.700 -0.014 0.000 2.400 6146 S HA -0.100 4.370 4.470 0.000 0.000 0.232 6146 S C 1.872 176.465 174.600 -0.011 0.000 1.025 6146 S CA 1.140 59.332 58.200 -0.014 0.000 0.993 6146 S CB -0.082 63.107 63.200 -0.018 0.000 0.808 6146 S HN 0.260 nan 8.310 nan 0.000 0.478 6147 I N -0.169 120.397 120.570 -0.007 0.000 2.585 6147 I HA 0.129 4.300 4.170 0.000 0.000 0.254 6147 I C 1.856 177.985 176.117 0.019 0.000 1.129 6147 I CA 1.080 62.379 61.300 -0.001 0.000 1.455 6147 I CB -1.632 36.370 38.000 0.002 0.000 1.111 6147 I HN 0.428 nan 8.210 nan 0.000 0.433 6148 G N 1.651 110.462 108.800 0.018 0.000 2.203 6148 G HA2 -0.102 3.858 3.960 0.000 0.000 0.231 6148 G HA3 -0.102 3.858 3.960 0.000 0.000 0.231 6148 G C 0.344 175.263 174.900 0.031 0.000 1.058 6148 G CA 0.168 45.278 45.100 0.016 0.000 0.781 6148 G HN 0.674 nan 8.290 nan 0.000 0.496 6149 A N 0.057 122.903 122.820 0.044 0.000 2.304 6149 A HA 0.796 5.116 4.320 0.000 0.000 0.301 6149 A C 0.879 178.453 177.584 -0.017 0.000 1.132 6149 A CA 0.477 52.542 52.037 0.048 0.000 0.819 6149 A CB 0.519 19.589 19.000 0.117 0.000 1.094 6149 A HN 0.954 nan 8.150 nan 0.000 0.492 6150 T N 3.044 117.573 114.554 -0.042 0.000 2.758 6150 T HA 0.304 4.654 4.350 0.000 0.000 0.281 6150 T C 0.229 174.861 174.700 -0.113 0.000 0.963 6150 T CA 0.894 62.944 62.100 -0.084 0.000 1.201 6150 T CB -0.530 68.314 68.868 -0.041 0.000 0.906 6150 T HN 0.644 nan 8.240 nan 0.000 0.528 6151 T N 4.267 118.693 114.554 -0.212 0.000 2.876 6151 T HA 0.421 4.771 4.350 0.000 0.000 0.289 6151 T C -0.664 173.817 174.700 -0.364 0.000 1.014 6151 T CA -0.801 61.192 62.100 -0.177 0.000 0.986 6151 T CB 1.203 70.021 68.868 -0.085 0.000 1.021 6151 T HN 0.549 nan 8.240 nan 0.000 0.458 6152 H N 0.964 120.045 119.070 0.018 0.000 2.744 6152 H HA 0.470 5.026 4.556 0.000 0.000 0.339 6152 H C -1.058 174.281 175.328 0.018 0.000 1.004 6152 H CA -0.409 55.657 56.048 0.031 0.000 1.257 6152 H CB 1.788 31.574 29.762 0.040 0.000 1.552 6152 H HN 0.287 nan 8.280 nan 0.000 0.522 6153 V N 2.738 122.721 119.914 0.116 0.000 2.398 6153 V HA 0.740 4.860 4.120 0.000 0.000 0.286 6153 V C 0.661 176.798 176.094 0.071 0.000 1.026 6153 V CA -0.212 62.129 62.300 0.068 0.000 0.868 6153 V CB 1.339 33.184 31.823 0.037 0.000 0.982 6153 V HN 1.036 nan 8.190 nan 0.000 0.443 6154 G N 3.037 111.865 108.800 0.048 0.000 2.364 6154 G HA2 0.453 4.413 3.960 0.000 0.000 0.286 6154 G HA3 0.453 4.413 3.960 0.000 0.000 0.286 6154 G C -1.433 173.472 174.900 0.009 0.000 1.241 6154 G CA -0.479 44.641 45.100 0.035 0.000 0.887 6154 G HN 0.495 nan 8.290 nan 0.000 0.484 6155 V N 0.641 120.552 119.914 -0.006 0.000 2.607 6155 V HA 0.659 4.779 4.120 0.000 0.000 0.289 6155 V C 0.327 176.376 176.094 -0.075 0.000 1.053 6155 V CA -0.079 62.200 62.300 -0.036 0.000 0.996 6155 V CB 1.327 33.129 31.823 -0.035 0.000 0.995 6155 V HN 0.796 nan 8.190 nan 0.000 0.476 6156 T N 2.896 117.391 114.554 -0.099 0.000 2.908 6156 T HA 0.689 5.039 4.350 0.000 0.000 0.290 6156 T C -0.236 174.338 174.700 -0.210 0.000 1.034 6156 T CA -0.357 61.662 62.100 -0.135 0.000 1.010 6156 T CB 1.770 70.589 68.868 -0.081 0.000 1.068 6156 T HN 0.913 nan 8.240 nan 0.000 0.481 6157 A N 1.811 124.463 122.820 -0.280 0.000 2.253 6157 A HA 0.651 4.971 4.320 0.000 0.000 0.316 6157 A C 0.194 177.722 177.584 -0.094 0.000 1.327 6157 A CA -0.533 51.291 52.037 -0.356 0.000 0.917 6157 A CB 0.457 19.067 19.000 -0.650 0.000 1.162 6157 A HN 0.620 nan 8.150 nan 0.000 0.535 6158 S N 2.462 118.109 115.700 -0.090 0.000 2.448 6158 S HA 0.605 5.075 4.470 0.000 0.000 0.320 6158 S C 0.139 174.732 174.600 -0.011 0.000 1.071 6158 S CA -0.070 58.116 58.200 -0.024 0.000 1.113 6158 S CB 0.111 63.294 63.200 -0.028 0.000 0.972 6158 S HN 1.305 nan 8.310 nan 0.000 0.465 6159 S N 3.312 119.002 115.700 -0.018 0.000 2.648 6159 S HA 0.507 4.977 4.470 0.000 0.000 0.305 6159 S C -0.139 174.437 174.600 -0.040 0.000 1.094 6159 S CA -0.702 57.474 58.200 -0.040 0.000 0.983 6159 S CB 1.374 64.490 63.200 -0.140 0.000 1.101 6159 S HN 0.511 nan 8.310 nan 0.000 0.514 6160 D N 1.083 121.469 120.400 -0.024 0.000 2.336 6160 D HA 0.189 4.829 4.640 0.000 0.000 0.229 6160 D C 0.421 176.711 176.300 -0.017 0.000 1.061 6160 D CA 0.680 54.676 54.000 -0.006 0.000 0.875 6160 D CB 0.046 40.860 40.800 0.023 0.000 0.904 6160 D HN 0.788 nan 8.370 nan 0.000 0.525 6161 T N -4.216 110.299 114.554 -0.065 0.000 2.883 6161 T HA 0.291 4.641 4.350 0.000 0.000 0.301 6161 T C 0.253 174.905 174.700 -0.079 0.000 1.158 6161 T CA -0.861 61.216 62.100 -0.040 0.000 1.007 6161 T CB 1.049 69.878 68.868 -0.064 0.000 1.186 6161 T HN -0.127 nan 8.240 nan 0.000 0.499 6162 F N -0.049 119.779 119.950 -0.202 0.000 2.446 6162 F HA 0.251 4.778 4.527 0.000 0.000 0.292 6162 F C 1.038 176.510 175.800 -0.546 0.000 1.096 6162 F CA 0.575 58.340 58.000 -0.391 0.000 1.438 6162 F CB 0.049 38.779 39.000 -0.450 0.000 1.107 6162 F HN 0.677 nan 8.300 nan 0.000 0.546 6163 Y N 1.032 121.297 120.300 -0.058 0.000 2.254 6163 Y HA 0.143 4.693 4.550 0.000 0.000 0.274 6163 Y C -0.403 175.320 175.900 -0.294 0.000 1.093 6163 Y CA 0.598 58.600 58.100 -0.164 0.000 1.105 6163 Y CB -2.083 36.372 38.460 -0.008 0.000 1.041 6163 Y HN -0.185 nan 8.280 nan 0.000 0.489 6164 P HA -0.136 nan 4.420 nan 0.000 0.215 6164 P C 1.571 178.581 177.300 -0.483 0.000 1.153 6164 P CA 2.287 65.254 63.100 -0.221 0.000 0.853 6164 P CB -0.237 31.400 31.700 -0.106 0.000 0.788 6165 G N -0.006 108.416 108.800 -0.630 0.000 2.448 6165 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 6165 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 6165 G C 1.446 175.862 174.900 -0.806 0.000 1.127 6165 G CA 0.403 44.874 45.100 -1.048 0.000 0.766 6165 G HN 0.393 nan 8.290 nan 0.000 0.552 6166 Q N -0.689 118.649 119.800 -0.770 0.000 2.188 6166 Q HA 0.223 4.563 4.340 0.000 0.000 0.212 6166 Q C -0.005 175.639 176.000 -0.594 0.000 0.846 6166 Q CA -0.205 54.883 55.803 -1.192 0.000 0.989 6166 Q CB 0.511 28.398 28.738 -1.418 0.000 1.114 6166 Q HN 0.612 nan 8.270 nan 0.000 0.488 6167 E N 1.547 121.530 120.200 -0.361 0.000 2.252 6167 E HA -0.225 4.125 4.350 0.000 0.000 0.218 6167 E C -0.996 175.459 176.600 -0.241 0.000 1.253 6167 E CA 0.086 56.349 56.400 -0.227 0.000 0.705 6167 E CB -0.356 29.364 29.700 0.032 0.000 1.172 6167 E HN 0.312 nan 8.360 nan 0.000 0.369 6168 R N 0.541 120.881 120.500 -0.268 0.000 2.221 6168 R HA 0.179 4.519 4.340 0.000 0.000 0.327 6168 R C 0.264 176.491 176.300 -0.122 0.000 1.033 6168 R CA -0.222 55.820 56.100 -0.098 0.000 0.887 6168 R CB 0.453 30.744 30.300 -0.015 0.000 1.057 6168 R HN 0.229 nan 8.270 nan 0.000 0.455 6169 Y N -0.232 120.102 120.300 0.056 0.000 2.503 6169 Y HA -0.013 4.537 4.550 0.000 0.000 0.278 6169 Y C 1.056 176.986 175.900 0.049 0.000 1.111 6169 Y CA 0.205 58.333 58.100 0.047 0.000 1.270 6169 Y CB 0.464 38.943 38.460 0.030 0.000 1.063 6169 Y HN 0.480 nan 8.280 nan 0.000 0.548 6170 D N 1.753 122.275 120.400 0.205 0.000 2.745 6170 D HA 0.019 4.659 4.640 0.000 0.000 0.229 6170 D C 0.210 176.568 176.300 0.097 0.000 1.088 6170 D CA 0.391 54.478 54.000 0.145 0.000 1.054 6170 D CB -0.171 40.717 40.800 0.146 0.000 1.132 6170 D HN 0.323 nan 8.370 nan 0.000 0.464 6171 T N -2.989 111.595 114.554 0.051 0.000 2.724 6171 T HA 0.155 4.505 4.350 0.000 0.000 0.274 6171 T C 1.183 175.895 174.700 0.020 0.000 0.984 6171 T CA -0.804 61.278 62.100 -0.031 0.000 1.024 6171 T CB 0.585 69.397 68.868 -0.093 0.000 1.320 6171 T HN 0.167 nan 8.240 nan 0.000 0.555 6172 Y N 1.041 121.277 120.300 -0.107 0.000 2.165 6172 Y HA -0.134 4.416 4.550 0.000 0.000 0.286 6172 Y C 2.614 178.494 175.900 -0.032 0.000 1.155 6172 Y CA 2.221 60.281 58.100 -0.068 0.000 1.164 6172 Y CB -0.075 38.335 38.460 -0.082 0.000 0.978 6172 Y HN 0.717 nan 8.280 nan 0.000 0.513 6173 S N -1.416 114.125 115.700 -0.264 0.000 2.492 6173 S HA 0.231 4.701 4.470 0.000 0.000 0.218 6173 S C 1.731 176.258 174.600 -0.122 0.000 1.016 6173 S CA 0.413 58.430 58.200 -0.306 0.000 0.916 6173 S CB 0.090 63.178 63.200 -0.187 0.000 0.791 6173 S HN 0.853 nan 8.310 nan 0.000 0.513 6174 G N 2.203 110.980 108.800 -0.039 0.000 2.166 6174 G HA2 -0.336 3.624 3.960 0.000 0.000 0.260 6174 G HA3 -0.336 3.624 3.960 0.000 0.000 0.260 6174 G C 0.039 175.024 174.900 0.142 0.000 0.986 6174 G CA 0.602 45.740 45.100 0.063 0.000 0.683 6174 G HN 1.020 nan 8.290 nan 0.000 0.527 6175 R N -1.345 119.187 120.500 0.053 0.000 2.854 6175 R HA 0.823 5.163 4.340 0.000 0.000 0.271 6175 R C -0.407 175.876 176.300 -0.028 0.000 0.996 6175 R CA -0.508 55.640 56.100 0.079 0.000 0.961 6175 R CB 2.363 32.695 30.300 0.054 0.000 1.182 6175 R HN 0.950 nan 8.270 nan 0.000 0.479 6176 V N 0.131 120.031 119.914 -0.024 0.000 2.531 6176 V HA 0.457 4.577 4.120 0.000 0.000 0.301 6176 V C 0.063 176.200 176.094 0.071 0.000 1.034 6176 V CA -1.083 61.187 62.300 -0.050 0.000 0.865 6176 V CB 1.520 33.212 31.823 -0.219 0.000 0.995 6176 V HN 0.732 nan 8.190 nan 0.000 0.424 6177 V N 5.842 125.822 119.914 0.109 0.000 2.953 6177 V HA 0.024 4.144 4.120 0.000 0.000 0.304 6177 V C 2.094 178.242 176.094 0.089 0.000 1.138 6177 V CA 1.289 63.654 62.300 0.107 0.000 1.266 6177 V CB 0.646 32.548 31.823 0.132 0.000 0.923 6177 V HN 1.141 nan 8.190 nan 0.000 0.505 6178 R N 3.378 123.900 120.500 0.036 0.000 2.159 6178 R HA -0.281 4.059 4.340 0.000 0.000 0.252 6178 R C 2.179 178.440 176.300 -0.066 0.000 1.144 6178 R CA 2.651 58.751 56.100 -0.000 0.000 0.961 6178 R CB -0.362 29.929 30.300 -0.014 0.000 0.877 6178 R HN 0.830 nan 8.270 nan 0.000 0.444 6179 R N -0.407 120.000 120.500 -0.155 0.000 2.153 6179 R HA -0.180 4.160 4.340 0.000 0.000 0.252 6179 R C 1.368 177.321 176.300 -0.579 0.000 1.158 6179 R CA 2.318 58.167 56.100 -0.418 0.000 0.975 6179 R CB -0.346 29.573 30.300 -0.634 0.000 0.871 6179 R HN 0.364 nan 8.270 nan 0.000 0.450 6180 F N -0.409 119.559 119.950 0.030 0.000 2.682 6180 F HA 0.344 4.871 4.527 0.000 0.000 0.308 6180 F C 0.252 176.062 175.800 0.018 0.000 1.093 6180 F CA -0.589 57.430 58.000 0.032 0.000 1.244 6180 F CB 0.365 39.388 39.000 0.037 0.000 1.052 6180 F HN -0.252 nan 8.300 nan 0.000 0.573 6181 K N 0.814 121.294 120.400 0.133 0.000 2.412 6181 K HA 0.294 4.614 4.320 0.000 0.000 0.284 6181 K C 1.107 177.761 176.600 0.089 0.000 1.046 6181 K CA 0.773 57.147 56.287 0.146 0.000 0.999 6181 K CB 0.231 32.799 32.500 0.113 0.000 0.941 6181 K HN 0.341 nan 8.250 nan 0.000 0.474 6182 G N 2.259 111.132 108.800 0.122 0.000 2.221 6182 G HA2 -0.311 3.649 3.960 0.000 0.000 0.265 6182 G HA3 -0.311 3.649 3.960 0.000 0.000 0.265 6182 G C 0.692 175.565 174.900 -0.045 0.000 1.041 6182 G CA 0.782 45.906 45.100 0.041 0.000 0.807 6182 G HN 0.701 nan 8.290 nan 0.000 0.502 6183 S N -1.242 114.450 115.700 -0.012 0.000 2.404 6183 S HA 0.154 4.624 4.470 0.000 0.000 0.223 6183 S C 2.240 176.678 174.600 -0.270 0.000 1.040 6183 S CA 1.181 59.259 58.200 -0.203 0.000 0.957 6183 S CB -0.248 63.003 63.200 0.086 0.000 0.826 6183 S HN 0.516 nan 8.310 nan 0.000 0.491 6184 M N 1.740 121.401 119.600 0.102 0.000 2.106 6184 M HA -0.164 4.316 4.480 0.000 0.000 0.259 6184 M C 2.390 178.721 176.300 0.052 0.000 1.068 6184 M CA 2.153 57.588 55.300 0.225 0.000 1.100 6184 M CB -0.321 32.458 32.600 0.298 0.000 1.351 6184 M HN 0.548 nan 8.290 nan 0.000 0.404 6185 E N -0.220 119.981 120.200 0.001 0.000 2.153 6185 E HA -0.225 4.125 4.350 0.000 0.000 0.194 6185 E C 1.739 178.293 176.600 -0.076 0.000 0.988 6185 E CA 1.122 57.509 56.400 -0.021 0.000 0.811 6185 E CB 0.041 29.729 29.700 -0.019 0.000 0.746 6185 E HN 0.552 nan 8.360 nan 0.000 0.466 6186 E N 0.023 120.097 120.200 -0.211 0.000 2.007 6186 E HA -0.192 4.158 4.350 0.000 0.000 0.194 6186 E C 1.910 178.430 176.600 -0.135 0.000 0.999 6186 E CA 1.394 57.622 56.400 -0.287 0.000 0.811 6186 E CB -0.517 28.820 29.700 -0.604 0.000 0.762 6186 E HN 0.485 nan 8.360 nan 0.000 0.450 6187 W N 1.608 122.909 121.300 0.001 0.000 2.305 6187 W HA -0.247 4.413 4.660 0.000 0.000 0.308 6187 W C 2.625 179.106 176.519 -0.063 0.000 1.226 6187 W CA 0.778 58.096 57.345 -0.045 0.000 1.253 6187 W CB -0.399 28.992 29.460 -0.115 0.000 1.146 6187 W HN 0.286 nan 8.180 nan 0.000 0.507 6188 Q N 0.868 120.754 119.800 0.143 0.000 2.050 6188 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 6188 Q C 2.371 178.405 176.000 0.058 0.000 0.980 6188 Q CA 2.145 57.987 55.803 0.066 0.000 0.840 6188 Q CB -0.436 28.324 28.738 0.038 0.000 0.898 6188 Q HN 0.238 nan 8.270 nan 0.000 0.424 6189 A N 0.174 123.019 122.820 0.042 0.000 2.067 6189 A HA -0.074 4.247 4.320 0.000 0.000 0.219 6189 A C 1.792 179.404 177.584 0.047 0.000 1.158 6189 A CA 1.110 53.164 52.037 0.030 0.000 0.661 6189 A CB -0.303 18.699 19.000 0.003 0.000 0.801 6189 A HN 0.482 nan 8.150 nan 0.000 0.452 6190 M N -1.311 118.338 119.600 0.082 0.000 2.561 6190 M HA 0.186 4.666 4.480 0.000 0.000 0.238 6190 M C 1.343 177.694 176.300 0.085 0.000 1.131 6190 M CA 0.748 56.106 55.300 0.098 0.000 1.046 6190 M CB 0.296 32.999 32.600 0.171 0.000 1.532 6190 M HN 0.585 nan 8.290 nan 0.000 0.497 6191 G N 0.496 109.340 108.800 0.074 0.000 2.176 6191 G HA2 -0.211 3.749 3.960 0.000 0.000 0.253 6191 G HA3 -0.211 3.749 3.960 0.000 0.000 0.253 6191 G C 0.137 175.062 174.900 0.043 0.000 0.979 6191 G CA -0.192 44.944 45.100 0.059 0.000 0.641 6191 G HN 0.303 nan 8.290 nan 0.000 0.530 6192 V N 1.985 121.926 119.914 0.044 0.000 2.617 6192 V HA 0.128 4.248 4.120 0.000 0.000 0.304 6192 V C 1.888 177.942 176.094 -0.067 0.000 1.040 6192 V CA 1.388 63.674 62.300 -0.024 0.000 1.149 6192 V CB 1.086 32.886 31.823 -0.039 0.000 0.914 6192 V HN 0.422 nan 8.190 nan 0.000 0.487 6193 M N 3.648 123.194 119.600 -0.091 0.000 2.287 6193 M HA 0.114 4.594 4.480 0.000 0.000 0.266 6193 M C 0.728 176.927 176.300 -0.168 0.000 1.079 6193 M CA 1.268 56.496 55.300 -0.120 0.000 1.146 6193 M CB -0.090 32.458 32.600 -0.087 0.000 1.374 6193 M HN 0.978 nan 8.290 nan 0.000 0.435 6194 N N -2.405 116.182 118.700 -0.190 0.000 3.308 6194 N HA 0.326 5.066 4.740 0.000 0.000 0.276 6194 N C -1.802 173.565 175.510 -0.238 0.000 1.533 6194 N CA -0.974 51.962 53.050 -0.189 0.000 0.878 6194 N CB 1.157 39.589 38.487 -0.092 0.000 1.566 6194 N HN -0.169 nan 8.380 nan 0.000 0.546 6195 Y N -0.332 119.911 120.300 -0.095 0.000 2.376 6195 Y HA 0.481 5.031 4.550 0.000 0.000 0.340 6195 Y C -0.435 175.406 175.900 -0.098 0.000 0.965 6195 Y CA -0.331 57.698 58.100 -0.120 0.000 1.078 6195 Y CB 1.803 40.173 38.460 -0.149 0.000 1.193 6195 Y HN 0.868 nan 8.280 nan 0.000 0.452 6196 E N 0.198 120.456 120.200 0.098 0.000 2.391 6196 E HA 0.573 4.923 4.350 0.000 0.000 0.256 6196 E C -1.082 175.534 176.600 0.028 0.000 0.975 6196 E CA -0.759 55.670 56.400 0.047 0.000 0.881 6196 E CB 1.272 30.989 29.700 0.029 0.000 1.728 6196 E HN 0.438 nan 8.360 nan 0.000 0.446 6197 M N -0.483 119.131 119.600 0.024 0.000 2.410 6197 M HA 0.340 4.820 4.480 0.000 0.000 0.376 6197 M C -0.344 175.961 176.300 0.009 0.000 1.051 6197 M CA 0.217 55.525 55.300 0.013 0.000 0.949 6197 M CB 0.704 33.319 32.600 0.025 0.000 1.577 6197 M HN 0.541 nan 8.290 nan 0.000 0.560 6198 E N -0.978 119.225 120.200 0.006 0.000 2.576 6198 E HA 0.060 4.410 4.350 0.000 0.000 0.214 6198 E C 1.719 178.310 176.600 -0.014 0.000 0.859 6198 E CA 0.571 56.970 56.400 -0.001 0.000 1.399 6198 E CB 0.371 30.075 29.700 0.006 0.000 1.374 6198 E HN 0.300 nan 8.360 nan 0.000 0.718 6199 S N 1.083 116.776 115.700 -0.011 0.000 2.400 6199 S HA -0.195 4.275 4.470 0.000 0.000 0.232 6199 S C 2.193 176.779 174.600 -0.022 0.000 1.025 6199 S CA 1.114 59.304 58.200 -0.017 0.000 0.993 6199 S CB -0.336 62.856 63.200 -0.013 0.000 0.808 6199 S HN 0.258 nan 8.310 nan 0.000 0.478 6200 A N 1.950 124.760 122.820 -0.016 0.000 1.865 6200 A HA -0.067 4.253 4.320 0.000 0.000 0.217 6200 A C 2.510 180.091 177.584 -0.004 0.000 1.191 6200 A CA 2.280 54.315 52.037 -0.003 0.000 0.623 6200 A CB -1.761 17.242 19.000 0.005 0.000 0.826 6200 A HN 0.587 nan 8.150 nan 0.000 0.444 6201 T N 0.058 114.603 114.554 -0.015 0.000 2.737 6201 T HA -0.117 4.233 4.350 0.000 0.000 0.265 6201 T C 1.863 176.475 174.700 -0.147 0.000 1.038 6201 T CA 1.440 63.516 62.100 -0.039 0.000 1.144 6201 T CB -0.463 68.394 68.868 -0.017 0.000 0.866 6201 T HN 0.334 nan 8.240 nan 0.000 0.434 6202 L N 1.247 122.391 121.223 -0.131 0.000 1.956 6202 L HA -0.067 4.273 4.340 0.000 0.000 0.216 6202 L C 2.067 178.833 176.870 -0.174 0.000 1.073 6202 L CA 1.770 56.498 54.840 -0.186 0.000 0.762 6202 L CB -1.044 40.944 42.059 -0.117 0.000 0.889 6202 L HN 0.099 nan 8.230 nan 0.000 0.433 6203 L N -0.394 120.780 121.223 -0.082 0.000 2.127 6203 L HA -0.175 4.165 4.340 0.000 0.000 0.211 6203 L C 2.441 179.303 176.870 -0.013 0.000 1.089 6203 L CA 2.057 56.879 54.840 -0.031 0.000 0.757 6203 L CB -1.884 40.181 42.059 0.010 0.000 0.899 6203 L HN 0.404 nan 8.230 nan 0.000 0.434 6204 T N -0.130 114.402 114.554 -0.036 0.000 2.668 6204 T HA -0.193 4.157 4.350 0.000 0.000 0.258 6204 T C 1.838 176.416 174.700 -0.202 0.000 1.051 6204 T CA 1.620 63.712 62.100 -0.014 0.000 1.155 6204 T CB -0.243 68.643 68.868 0.031 0.000 0.864 6204 T HN 0.457 nan 8.240 nan 0.000 0.413 6205 M N 0.512 119.833 119.600 -0.464 0.000 2.267 6205 M HA -0.078 4.402 4.480 0.000 0.000 0.263 6205 M C 2.199 178.201 176.300 -0.496 0.000 1.063 6205 M CA 1.587 56.343 55.300 -0.906 0.000 1.090 6205 M CB -1.213 30.324 32.600 -1.771 0.000 1.392 6205 M HN 0.218 nan 8.290 nan 0.000 0.422 6206 C N 1.162 120.266 119.300 -0.327 0.000 2.544 6206 C HA 0.213 4.673 4.460 0.000 0.000 0.280 6206 C C 3.283 178.239 174.990 -0.056 0.000 1.295 6206 C CA 0.867 59.774 59.018 -0.186 0.000 1.702 6206 C CB -1.082 26.574 27.740 -0.141 0.000 2.090 6206 C HN 0.763 nan 8.230 nan 0.000 0.493 6207 A N 1.064 123.892 122.820 0.013 0.000 2.076 6207 A HA -0.154 4.166 4.320 0.000 0.000 0.220 6207 A C 2.120 179.794 177.584 0.150 0.000 1.160 6207 A CA 2.218 54.343 52.037 0.146 0.000 0.653 6207 A CB -0.602 18.575 19.000 0.294 0.000 0.801 6207 A HN 0.733 nan 8.150 nan 0.000 0.455 6208 S N -2.015 113.647 115.700 -0.063 0.000 2.556 6208 S HA 0.179 4.649 4.470 0.000 0.000 0.216 6208 S C 0.819 175.369 174.600 -0.082 0.000 0.970 6208 S CA 0.181 58.257 58.200 -0.207 0.000 0.912 6208 S CB 0.060 62.953 63.200 -0.511 0.000 0.790 6208 S HN 0.633 nan 8.310 nan 0.000 0.504 6209 Q N 0.430 120.206 119.800 -0.041 0.000 2.063 6209 Q HA 0.343 4.683 4.340 0.000 0.000 0.245 6209 Q C 0.493 176.506 176.000 0.021 0.000 0.828 6209 Q CA -0.042 55.758 55.803 -0.006 0.000 1.089 6209 Q CB 0.994 29.722 28.738 -0.017 0.000 1.232 6209 Q HN 0.595 nan 8.270 nan 0.000 0.445 6210 G N 1.629 110.452 108.800 0.038 0.000 2.221 6210 G HA2 -0.271 3.689 3.960 0.000 0.000 0.265 6210 G HA3 -0.271 3.689 3.960 0.000 0.000 0.265 6210 G C -0.198 174.741 174.900 0.065 0.000 1.041 6210 G CA 0.242 45.375 45.100 0.055 0.000 0.807 6210 G HN 0.298 nan 8.290 nan 0.000 0.502 6211 L N -0.245 121.018 121.223 0.066 0.000 2.333 6211 L HA 0.555 4.895 4.340 0.000 0.000 0.280 6211 L C 0.958 177.899 176.870 0.118 0.000 1.004 6211 L CA -1.106 53.801 54.840 0.113 0.000 0.820 6211 L CB 1.503 43.633 42.059 0.119 0.000 1.247 6211 L HN 0.104 nan 8.230 nan 0.000 0.416 6212 R N 2.179 122.762 120.500 0.139 0.000 2.539 6212 R HA 0.738 5.078 4.340 0.000 0.000 0.275 6212 R C -0.438 175.961 176.300 0.164 0.000 1.077 6212 R CA -0.367 55.805 56.100 0.120 0.000 1.097 6212 R CB 1.221 31.574 30.300 0.088 0.000 1.018 6212 R HN 0.709 nan 8.270 nan 0.000 0.483 6213 A N 0.970 123.860 122.820 0.117 0.000 2.517 6213 A HA 0.674 4.994 4.320 0.000 0.000 0.297 6213 A C -0.760 176.868 177.584 0.072 0.000 1.050 6213 A CA -0.548 51.562 52.037 0.121 0.000 0.694 6213 A CB 2.096 21.138 19.000 0.071 0.000 1.277 6213 A HN 0.761 nan 8.150 nan 0.000 0.400 6214 G N -0.176 108.666 108.800 0.070 0.000 2.537 6214 G HA2 0.734 4.694 3.960 0.000 0.000 0.308 6214 G HA3 0.734 4.694 3.960 0.000 0.000 0.308 6214 G C -1.026 173.894 174.900 0.034 0.000 1.237 6214 G CA -0.627 44.494 45.100 0.035 0.000 0.968 6214 G HN 1.206 nan 8.290 nan 0.000 0.481 6215 M N 1.274 120.885 119.600 0.018 0.000 2.277 6215 M HA 0.637 5.117 4.480 0.000 0.000 0.282 6215 M C -1.850 174.456 176.300 0.012 0.000 1.074 6215 M CA -0.743 54.567 55.300 0.017 0.000 0.954 6215 M CB 1.877 34.484 32.600 0.011 0.000 1.672 6215 M HN 0.796 nan 8.290 nan 0.000 0.471 6216 V N 3.931 123.853 119.914 0.015 0.000 2.971 6216 V HA 1.061 5.181 4.120 0.000 0.000 0.309 6216 V C -1.770 174.335 176.094 0.018 0.000 1.130 6216 V CA 0.288 62.597 62.300 0.015 0.000 0.964 6216 V CB 2.001 33.832 31.823 0.013 0.000 1.029 6216 V HN 1.302 nan 8.190 nan 0.000 0.427 6217 A N 3.529 126.361 122.820 0.020 0.000 2.594 6217 A HA 0.962 5.282 4.320 0.000 0.000 0.291 6217 A C -0.300 177.298 177.584 0.023 0.000 1.105 6217 A CA -0.217 51.832 52.037 0.020 0.000 0.694 6217 A CB 1.844 20.854 19.000 0.017 0.000 1.291 6217 A HN 1.762 nan 8.150 nan 0.000 0.410 6218 G N -0.277 108.536 108.800 0.022 0.000 2.379 6218 G HA2 0.543 4.503 3.960 0.000 0.000 0.327 6218 G HA3 0.543 4.503 3.960 0.000 0.000 0.327 6218 G C -0.687 174.222 174.900 0.014 0.000 1.145 6218 G CA -0.407 44.705 45.100 0.020 0.000 0.905 6218 G HN 0.895 nan 8.290 nan 0.000 0.466 6219 V N 3.193 123.111 119.914 0.008 0.000 2.508 6219 V HA 0.134 4.255 4.120 0.000 0.000 0.281 6219 V C 1.300 177.396 176.094 0.002 0.000 1.041 6219 V CA 0.113 62.413 62.300 -0.000 0.000 1.016 6219 V CB 0.899 32.714 31.823 -0.014 0.000 0.984 6219 V HN 0.759 nan 8.190 nan 0.000 0.478 6220 I N 3.220 123.797 120.570 0.011 0.000 4.154 6220 I HA 0.588 4.758 4.170 0.000 0.000 0.334 6220 I C 0.042 176.169 176.117 0.018 0.000 1.371 6220 I CA 0.156 61.465 61.300 0.016 0.000 1.110 6220 I CB 1.139 39.155 38.000 0.026 0.000 1.085 6220 I HN 0.417 nan 8.210 nan 0.000 0.398 6221 V N 1.293 121.214 119.914 0.011 0.000 3.108 6221 V HA 0.386 4.506 4.120 0.000 0.000 0.287 6221 V C -1.860 174.231 176.094 -0.005 0.000 1.436 6221 V CA -0.598 61.708 62.300 0.010 0.000 1.001 6221 V CB 2.338 34.175 31.823 0.023 0.000 1.141 6221 V HN 0.361 nan 8.190 nan 0.000 0.443 6222 N N 4.737 123.432 118.700 -0.008 0.000 2.511 6222 N HA 0.348 5.088 4.740 0.000 0.000 0.249 6222 N C 0.737 176.245 175.510 -0.003 0.000 0.971 6222 N CA -0.593 52.445 53.050 -0.021 0.000 0.938 6222 N CB 1.418 39.885 38.487 -0.033 0.000 1.131 6222 N HN 0.595 nan 8.380 nan 0.000 0.505 6223 R N 0.761 121.266 120.500 0.009 0.000 2.303 6223 R HA -0.072 4.268 4.340 0.000 0.000 0.225 6223 R C 1.479 177.801 176.300 0.037 0.000 1.114 6223 R CA 0.971 57.092 56.100 0.035 0.000 1.007 6223 R CB -0.952 29.399 30.300 0.085 0.000 0.861 6223 R HN 0.654 nan 8.270 nan 0.000 0.471 6224 T N -3.307 111.257 114.554 0.016 0.000 3.113 6224 T HA 0.027 4.377 4.350 0.000 0.000 0.256 6224 T C 1.412 176.122 174.700 0.017 0.000 1.131 6224 T CA 0.529 62.640 62.100 0.017 0.000 1.074 6224 T CB 0.249 69.118 68.868 0.003 0.000 0.944 6224 T HN 0.261 nan 8.240 nan 0.000 0.516 6225 Q N 0.256 120.065 119.800 0.015 0.000 2.404 6225 Q HA 0.286 4.626 4.340 0.000 0.000 0.262 6225 Q C 0.343 176.357 176.000 0.023 0.000 0.846 6225 Q CA -0.101 55.711 55.803 0.016 0.000 0.978 6225 Q CB 0.723 29.467 28.738 0.010 0.000 1.156 6225 Q HN 0.781 nan 8.270 nan 0.000 0.548 6226 Q N -1.277 118.539 119.800 0.026 0.000 2.578 6226 Q HA 0.330 4.670 4.340 0.000 0.000 0.284 6226 Q C -0.613 175.408 176.000 0.035 0.000 0.960 6226 Q CA -0.568 55.255 55.803 0.034 0.000 0.809 6226 Q CB 0.944 29.702 28.738 0.033 0.000 1.462 6226 Q HN -0.085 nan 8.270 nan 0.000 0.392 6227 E N 0.531 120.759 120.200 0.047 0.000 2.122 6227 E HA 0.162 4.512 4.350 0.000 0.000 0.190 6227 E C 0.062 176.685 176.600 0.039 0.000 0.977 6227 E CA 0.797 57.216 56.400 0.032 0.000 0.820 6227 E CB 0.430 30.172 29.700 0.069 0.000 0.770 6227 E HN 0.434 nan 8.360 nan 0.000 0.462 6228 I N 2.096 122.713 120.570 0.078 0.000 2.498 6228 I HA 0.257 4.427 4.170 0.000 0.000 0.290 6228 I C -2.360 173.802 176.117 0.075 0.000 1.032 6228 I CA -2.575 58.788 61.300 0.106 0.000 1.073 6228 I CB 2.189 40.278 38.000 0.147 0.000 1.251 6228 I HN -0.146 nan 8.210 nan 0.000 0.426 6229 P HA 0.200 nan 4.420 nan 0.000 0.274 6229 P C -1.156 176.169 177.300 0.042 0.000 1.256 6229 P CA -0.442 62.687 63.100 0.047 0.000 0.795 6229 P CB 0.730 32.456 31.700 0.042 0.000 1.038 6238 E N 2.438 122.679 120.200 0.070 0.000 2.097 6238 E HA -0.142 4.208 4.350 0.000 0.000 0.196 6238 E C 2.002 178.649 176.600 0.079 0.000 1.000 6238 E CA 1.736 58.170 56.400 0.056 0.000 0.804 6238 E CB -0.441 29.276 29.700 0.028 0.000 0.740 6238 E HN 0.572 nan 8.360 nan 0.000 0.454 6239 S N -0.063 115.696 115.700 0.097 0.000 2.402 6239 S HA -0.178 4.292 4.470 0.000 0.000 0.233 6239 S C 1.693 176.313 174.600 0.032 0.000 1.030 6239 S CA 1.058 59.287 58.200 0.048 0.000 1.003 6239 S CB -0.467 62.750 63.200 0.028 0.000 0.813 6239 S HN 0.465 nan 8.310 nan 0.000 0.477 6240 H N 0.931 119.993 119.070 -0.013 0.000 2.299 6240 H HA 0.006 4.562 4.556 0.000 0.000 0.302 6240 H C 2.646 177.967 175.328 -0.012 0.000 1.078 6240 H CA 1.213 57.253 56.048 -0.012 0.000 1.323 6240 H CB -0.403 29.354 29.762 -0.008 0.000 1.381 6240 H HN 0.467 nan 8.280 nan 0.000 0.498 6241 A N 0.927 123.823 122.820 0.127 0.000 1.892 6241 A HA -0.173 4.147 4.320 0.000 0.000 0.218 6241 A C 2.663 180.264 177.584 0.029 0.000 1.188 6241 A CA 1.921 53.995 52.037 0.061 0.000 0.631 6241 A CB -1.101 17.927 19.000 0.046 0.000 0.822 6241 A HN 0.300 nan 8.150 nan 0.000 0.447 6242 V N -0.127 119.797 119.914 0.017 0.000 2.427 6242 V HA -0.204 3.916 4.120 0.000 0.000 0.248 6242 V C 2.237 178.317 176.094 -0.023 0.000 1.051 6242 V CA 2.542 64.838 62.300 -0.008 0.000 1.048 6242 V CB -0.572 31.239 31.823 -0.020 0.000 0.666 6242 V HN 0.611 nan 8.190 nan 0.000 0.456 6243 K N -0.200 120.179 120.400 -0.035 0.000 2.097 6243 K HA -0.112 4.208 4.320 0.000 0.000 0.206 6243 K C 2.013 178.591 176.600 -0.038 0.000 1.049 6243 K CA 1.690 57.943 56.287 -0.056 0.000 0.933 6243 K CB -0.241 32.195 32.500 -0.107 0.000 0.717 6243 K HN 0.401 nan 8.250 nan 0.000 0.442 6244 I N 0.616 121.175 120.570 -0.019 0.000 2.202 6244 I HA -0.197 3.973 4.170 0.000 0.000 0.242 6244 I C 2.377 178.486 176.117 -0.013 0.000 1.091 6244 I CA 1.054 62.348 61.300 -0.011 0.000 1.368 6244 I CB -1.087 36.917 38.000 0.007 0.000 1.058 6244 I HN -0.039 nan 8.210 nan 0.000 0.410 6245 V N 0.384 120.293 119.914 -0.009 0.000 2.594 6245 V HA -0.174 3.946 4.120 0.000 0.000 0.253 6245 V C 2.426 178.511 176.094 -0.015 0.000 1.069 6245 V CA 1.220 63.515 62.300 -0.008 0.000 1.082 6245 V CB 0.103 31.926 31.823 -0.001 0.000 0.680 6245 V HN 0.165 nan 8.190 nan 0.000 0.469 6246 V N -0.154 119.747 119.914 -0.021 0.000 2.331 6246 V HA -0.124 3.996 4.120 0.000 0.000 0.242 6246 V C 2.442 178.521 176.094 -0.025 0.000 1.034 6246 V CA 1.965 64.251 62.300 -0.024 0.000 1.027 6246 V CB -0.427 31.378 31.823 -0.030 0.000 0.667 6246 V HN 0.666 nan 8.190 nan 0.000 0.457 6247 E N 1.086 121.269 120.200 -0.027 0.000 2.118 6247 E HA -0.213 4.138 4.350 0.000 0.000 0.195 6247 E C 2.038 178.623 176.600 -0.026 0.000 0.992 6247 E CA 1.863 58.247 56.400 -0.027 0.000 0.804 6247 E CB -0.439 29.244 29.700 -0.029 0.000 0.741 6247 E HN 0.508 nan 8.360 nan 0.000 0.458 6248 A N 0.884 123.689 122.820 -0.026 0.000 1.877 6248 A HA -0.042 4.278 4.320 0.000 0.000 0.216 6248 A C 2.508 180.075 177.584 -0.027 0.000 1.186 6248 A CA 2.199 54.219 52.037 -0.028 0.000 0.620 6248 A CB -1.215 17.770 19.000 -0.026 0.000 0.822 6248 A HN 0.422 nan 8.150 nan 0.000 0.443 6249 A N -0.411 122.394 122.820 -0.025 0.000 1.940 6249 A HA -0.221 4.099 4.320 0.000 0.000 0.219 6249 A C 2.219 179.787 177.584 -0.026 0.000 1.176 6249 A CA 1.938 53.959 52.037 -0.027 0.000 0.631 6249 A CB -0.525 18.460 19.000 -0.026 0.000 0.814 6249 A HN 0.555 nan 8.150 nan 0.000 0.446 6250 R N -0.438 120.048 120.500 -0.024 0.000 2.127 6250 R HA -0.124 4.216 4.340 0.000 0.000 0.238 6250 R C 2.009 178.296 176.300 -0.021 0.000 1.134 6250 R CA 1.718 57.805 56.100 -0.022 0.000 0.975 6250 R CB -0.150 30.137 30.300 -0.021 0.000 0.865 6250 R HN 0.541 nan 8.270 nan 0.000 0.447 6251 R N -0.520 119.966 120.500 -0.024 0.000 2.299 6251 R HA 0.083 4.423 4.340 0.000 0.000 0.197 6251 R C 1.168 177.454 176.300 -0.022 0.000 0.971 6251 R CA 0.404 56.490 56.100 -0.023 0.000 1.030 6251 R CB 0.308 30.591 30.300 -0.028 0.000 0.932 6251 R HN 0.225 nan 8.270 nan 0.000 0.477 6252 L N 0.357 121.566 121.223 -0.024 0.000 2.728 6252 L HA 0.193 4.533 4.340 0.000 0.000 0.238 6252 L C -0.298 176.558 176.870 -0.023 0.000 1.143 6252 L CA -0.321 54.505 54.840 -0.023 0.000 0.937 6252 L CB 0.267 42.310 42.059 -0.027 0.000 1.225 6252 L HN 0.018 nan 8.230 nan 0.000 0.507 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 42.046 42.059 -0.021 0.000 0.961 6253 L HN 0.000 nan 8.230 nan 0.000 0.502