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 3mo0_1_B DATA FIRST_RESID 978 DATA SEQUENCE IVSRDIARGY ERIPIPcVNA VDSEPcPSNY KYVSQNCVTS PMNIDRNITH DATA SEQUENCE LQYCVCIDDC SSSNCMCGQL SMRCXXXXXX XXXXXXXXXX PPLIFECNHA DATA SEQUENCE CSCWRNCRNR VVQNGLRARL QLYRTRDMGW GVRSLQDIPP GTFVCEYVGE DATA SEQUENCE LISDSEADVR EEDSYLFDLD NKDGEVYCID ARFYGNVSRF INHHCEPNLV DATA SEQUENCE PVRVFMAHQD LRFPRIAFFS TRLIEAGEQL GFDYGERFWD IKGKLFSCRC DATA SEQUENCE GSPKCRHS 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 978 I HA 0.000 nan 4.170 nan 0.000 0.288 978 I C 0.000 176.136 176.117 0.032 0.000 1.063 978 I CA 0.000 61.330 61.300 0.050 0.000 1.566 978 I CB 0.000 38.040 38.000 0.067 0.000 1.214 979 V N 2.366 122.299 119.914 0.032 0.000 3.677 979 V HA -0.147 3.973 4.120 0.000 0.000 0.479 979 V C -0.333 175.746 176.094 -0.025 0.000 0.682 979 V CA 0.876 63.181 62.300 0.009 0.000 1.977 979 V CB -1.288 30.558 31.823 0.038 0.000 2.402 979 V HN 1.156 nan 8.190 nan 0.000 0.501 980 S N 4.774 120.438 115.700 -0.061 0.000 2.687 980 S HA 0.769 5.239 4.470 0.000 0.000 0.283 980 S C 1.098 175.663 174.600 -0.057 0.000 1.170 980 S CA -0.433 57.727 58.200 -0.066 0.000 1.008 980 S CB 1.620 64.761 63.200 -0.098 0.000 1.026 980 S HN 1.299 nan 8.310 nan 0.000 0.541 981 R N 1.039 121.509 120.500 -0.051 0.000 2.317 981 R HA 0.358 4.699 4.340 0.000 0.000 0.208 981 R C -0.813 175.453 176.300 -0.055 0.000 0.914 981 R CA -0.086 55.988 56.100 -0.043 0.000 1.060 981 R CB -0.209 30.072 30.300 -0.032 0.000 1.015 981 R HN 0.482 nan 8.270 nan 0.000 0.498 982 D N 0.542 120.895 120.400 -0.079 0.000 2.104 982 D HA -0.020 4.620 4.640 0.000 0.000 0.144 982 D C 0.424 176.632 176.300 -0.152 0.000 1.137 982 D CA -0.515 53.422 54.000 -0.105 0.000 1.014 982 D CB 0.439 41.188 40.800 -0.084 0.000 2.540 982 D HN 0.189 nan 8.370 nan 0.000 0.548 983 I N 0.545 121.001 120.570 -0.189 0.000 3.001 983 I HA 0.216 4.386 4.170 0.000 0.000 0.268 983 I C 1.471 177.318 176.117 -0.451 0.000 1.267 983 I CA 0.758 61.929 61.300 -0.216 0.000 1.472 983 I CB 0.077 38.024 38.000 -0.088 0.000 1.089 983 I HN 0.248 nan 8.210 nan 0.000 0.468 984 A N 1.250 123.705 122.820 -0.608 0.000 2.251 984 A HA 0.189 4.509 4.320 0.000 0.000 0.209 984 A C 1.474 178.921 177.584 -0.228 0.000 1.187 984 A CA -0.198 51.294 52.037 -0.907 0.000 0.823 984 A CB -0.419 18.142 19.000 -0.730 0.000 0.846 984 A HN 0.525 nan 8.150 nan 0.000 0.486 985 R N -2.067 118.358 120.500 -0.124 0.000 3.516 985 R HA -0.240 4.100 4.340 0.000 0.000 0.271 985 R C 1.027 177.406 176.300 0.133 0.000 1.098 985 R CA 0.558 56.674 56.100 0.027 0.000 0.732 985 R CB -2.388 27.953 30.300 0.069 0.000 1.152 985 R HN 1.533 nan 8.270 nan 0.000 0.455 986 G N -2.040 106.794 108.800 0.056 0.000 2.176 986 G HA2 -0.391 3.569 3.960 0.000 0.000 0.253 986 G HA3 -0.391 3.569 3.960 0.000 0.000 0.253 986 G C 0.415 175.313 174.900 -0.004 0.000 0.979 986 G CA 0.385 45.494 45.100 0.015 0.000 0.641 986 G HN 0.389 nan 8.290 nan 0.000 0.530 987 Y N 1.072 121.357 120.300 -0.025 0.000 2.314 987 Y HA 0.179 4.729 4.550 0.001 0.000 0.293 987 Y C 1.998 177.931 175.900 0.054 0.000 1.129 987 Y CA 1.324 59.447 58.100 0.038 0.000 1.201 987 Y CB 0.191 38.722 38.460 0.118 0.000 0.999 987 Y HN 0.301 nan 8.280 nan 0.000 0.541 988 E N -0.163 120.130 120.200 0.155 0.000 2.359 988 E HA 0.169 4.519 4.350 0.000 0.000 0.255 988 E C 1.070 177.701 176.600 0.052 0.000 1.191 988 E CA -0.296 56.174 56.400 0.116 0.000 0.952 988 E CB 0.463 30.230 29.700 0.110 0.000 1.152 988 E HN 0.231 nan 8.360 nan 0.000 0.496 989 R N -0.129 120.401 120.500 0.050 0.000 2.153 989 R HA 0.046 4.386 4.340 0.000 0.000 0.218 989 R C 0.574 176.886 176.300 0.019 0.000 1.072 989 R CA 0.636 56.753 56.100 0.029 0.000 0.990 989 R CB -0.364 29.959 30.300 0.038 0.000 0.889 989 R HN 0.330 nan 8.270 nan 0.000 0.452 990 I N -1.942 118.641 120.570 0.021 0.000 2.608 990 I HA 0.445 4.615 4.170 0.000 0.000 0.295 990 I C -2.761 173.356 176.117 -0.001 0.000 1.049 990 I CA -3.577 57.728 61.300 0.009 0.000 1.063 990 I CB 1.535 39.542 38.000 0.011 0.000 1.248 990 I HN -0.231 nan 8.210 nan 0.000 0.424 991 P HA 0.349 nan 4.420 nan 0.000 0.275 991 P C -0.737 176.543 177.300 -0.033 0.000 1.228 991 P CA 0.080 63.162 63.100 -0.031 0.000 0.786 991 P CB 1.127 32.809 31.700 -0.030 0.000 0.927 992 I N 4.129 124.664 120.570 -0.058 0.000 2.428 992 I HA 0.261 4.431 4.170 0.000 0.000 0.279 992 I C -2.243 173.839 176.117 -0.059 0.000 1.040 992 I CA -2.669 58.605 61.300 -0.043 0.000 1.171 992 I CB 1.378 39.357 38.000 -0.034 0.000 1.312 992 I HN 0.090 nan 8.210 nan 0.000 0.470 993 P HA 0.048 nan 4.420 nan 0.000 0.273 993 P C -0.758 176.510 177.300 -0.053 0.000 1.250 993 P CA -0.419 62.656 63.100 -0.043 0.000 0.793 993 P CB 0.746 32.435 31.700 -0.019 0.000 1.011 994 c N 2.124 120.687 118.600 -0.061 0.000 2.505 994 c HA 0.641 5.211 4.570 0.000 0.000 0.342 994 c C -0.816 173.277 174.090 0.005 0.000 1.121 994 c CA -0.379 55.897 56.329 -0.089 0.000 1.306 994 c CB -0.349 42.015 42.510 -0.243 0.000 1.897 994 c HN 0.483 nan 8.230 nan 0.000 0.446 995 V N 4.321 124.300 119.914 0.108 0.000 2.680 995 V HA 0.694 4.814 4.120 0.000 0.000 0.309 995 V C -0.681 175.584 176.094 0.285 0.000 1.052 995 V CA -0.370 62.025 62.300 0.157 0.000 0.908 995 V CB 1.927 33.822 31.823 0.121 0.000 1.001 995 V HN 0.850 nan 8.190 nan 0.000 0.431 996 N N 3.387 122.224 118.700 0.227 0.000 2.696 996 N HA 0.571 5.311 4.740 0.000 0.000 0.246 996 N C 0.028 175.586 175.510 0.081 0.000 1.057 996 N CA 0.142 53.302 53.050 0.184 0.000 0.867 996 N CB 1.634 40.241 38.487 0.201 0.000 1.141 996 N HN 1.075 nan 8.380 nan 0.000 0.517 997 A N 2.313 125.175 122.820 0.071 0.000 2.833 997 A HA 0.445 4.766 4.320 0.000 0.000 0.293 997 A C 0.436 178.026 177.584 0.010 0.000 1.338 997 A CA -0.169 51.895 52.037 0.045 0.000 0.959 997 A CB 0.046 19.083 19.000 0.062 0.000 1.094 997 A HN 0.399 nan 8.150 nan 0.000 0.569 998 V N -1.049 118.848 119.914 -0.028 0.000 5.048 998 V HA 0.095 4.215 4.120 0.000 0.000 0.133 998 V C 0.728 176.782 176.094 -0.066 0.000 1.124 998 V CA 0.638 62.905 62.300 -0.054 0.000 1.228 998 V CB -0.239 31.529 31.823 -0.093 0.000 1.711 998 V HN 0.639 nan 8.190 nan 0.000 0.586 999 D N 0.798 121.131 120.400 -0.110 0.000 2.446 999 D HA 0.267 4.907 4.640 0.000 0.000 0.288 999 D C 0.451 176.716 176.300 -0.059 0.000 1.195 999 D CA 0.598 54.542 54.000 -0.093 0.000 1.095 999 D CB 0.288 41.010 40.800 -0.131 0.000 1.153 999 D HN 0.366 nan 8.370 nan 0.000 0.568 1000 S N -2.317 113.358 115.700 -0.043 0.000 2.751 1000 S HA 0.237 4.707 4.470 0.000 0.000 0.247 1000 S C -0.277 174.339 174.600 0.027 0.000 1.103 1000 S CA -0.764 57.436 58.200 -0.000 0.000 1.090 1000 S CB -0.289 62.913 63.200 0.004 0.000 0.928 1000 S HN 0.391 nan 8.310 nan 0.000 0.502 1001 E N 4.416 124.627 120.200 0.017 0.000 2.180 1001 E HA 0.306 4.656 4.350 0.000 0.000 0.283 1001 E C -2.425 174.345 176.600 0.284 0.000 1.061 1001 E CA -2.262 54.203 56.400 0.107 0.000 0.861 1001 E CB 0.644 30.343 29.700 -0.002 0.000 1.056 1001 E HN 0.271 nan 8.360 nan 0.000 0.407 1002 P HA -0.025 nan 4.420 nan 0.000 0.271 1002 P C -0.290 177.128 177.300 0.197 0.000 1.226 1002 P CA -0.351 62.855 63.100 0.177 0.000 0.765 1002 P CB 0.417 32.173 31.700 0.095 0.000 0.835 1003 c N 6.494 125.137 118.600 0.072 0.000 2.106 1003 c HA -0.057 4.513 4.570 0.000 0.000 0.402 1003 c C -1.454 172.526 174.090 -0.183 0.000 1.548 1003 c CA -0.247 55.921 56.329 -0.269 0.000 1.432 1003 c CB -2.102 40.217 42.510 -0.318 0.000 2.584 1003 c HN 0.548 nan 8.230 nan 0.000 0.604 1004 P HA -0.045 nan 4.420 nan 0.000 0.266 1004 P C 0.311 177.598 177.300 -0.022 0.000 1.162 1004 P CA 0.942 64.060 63.100 0.031 0.000 0.758 1004 P CB 0.311 32.120 31.700 0.181 0.000 0.774 1005 S N -0.357 115.319 115.700 -0.040 0.000 3.022 1005 S HA 0.087 4.557 4.470 0.000 0.000 0.247 1005 S C 0.243 174.751 174.600 -0.153 0.000 0.845 1005 S CA -0.611 57.478 58.200 -0.186 0.000 1.104 1005 S CB -0.853 62.271 63.200 -0.127 0.000 1.228 1005 S HN 0.496 nan 8.310 nan 0.000 0.532 1006 N N 1.404 120.075 118.700 -0.049 0.000 2.458 1006 N HA 0.248 4.988 4.740 0.000 0.000 0.274 1006 N C -0.348 175.189 175.510 0.045 0.000 1.242 1006 N CA -0.401 52.653 53.050 0.006 0.000 0.904 1006 N CB -0.341 38.186 38.487 0.067 0.000 1.206 1006 N HN 0.730 nan 8.380 nan 0.000 0.510 1007 Y N -2.430 117.812 120.300 -0.098 0.000 2.689 1007 Y HA 0.663 5.213 4.550 0.000 0.000 0.333 1007 Y C -1.455 174.334 175.900 -0.185 0.000 1.208 1007 Y CA -1.526 56.471 58.100 -0.173 0.000 1.055 1007 Y CB 0.649 38.961 38.460 -0.248 0.000 1.304 1007 Y HN -0.133 nan 8.280 nan 0.000 0.455 1008 K N 1.615 121.921 120.400 -0.157 0.000 2.339 1008 K HA 0.360 4.680 4.320 0.000 0.000 0.264 1008 K C -2.109 174.494 176.600 0.004 0.000 0.986 1008 K CA -0.687 55.452 56.287 -0.247 0.000 0.866 1008 K CB 0.523 32.738 32.500 -0.474 0.000 1.103 1008 K HN 0.739 nan 8.250 nan 0.000 0.441 1009 Y N 5.210 125.446 120.300 -0.105 0.000 2.480 1009 Y HA 0.341 4.891 4.550 -0.000 0.000 0.341 1009 Y C -0.552 175.261 175.900 -0.145 0.000 1.031 1009 Y CA -0.182 57.925 58.100 0.012 0.000 1.295 1009 Y CB 0.572 39.045 38.460 0.023 0.000 1.162 1009 Y HN 0.343 nan 8.280 nan 0.000 0.523 1010 V N 2.973 122.683 119.914 -0.340 0.000 2.487 1010 V HA 0.316 4.436 4.120 0.000 0.000 0.298 1010 V C 0.374 176.295 176.094 -0.289 0.000 1.028 1010 V CA -0.195 61.982 62.300 -0.204 0.000 0.860 1010 V CB 1.236 33.015 31.823 -0.073 0.000 0.991 1010 V HN 0.837 nan 8.190 nan 0.000 0.427 1011 S N 2.379 118.083 115.700 0.006 0.000 2.522 1011 S HA 0.151 4.621 4.470 0.000 0.000 0.227 1011 S C 0.498 175.097 174.600 -0.001 0.000 0.986 1011 S CA 0.167 58.418 58.200 0.084 0.000 0.929 1011 S CB -0.361 63.013 63.200 0.290 0.000 0.769 1011 S HN 0.890 nan 8.310 nan 0.000 0.529 1012 Q N 0.359 120.145 119.800 -0.023 0.000 2.418 1012 Q HA 0.369 4.709 4.340 0.000 0.000 0.282 1012 Q C -1.095 174.868 176.000 -0.060 0.000 1.044 1012 Q CA -0.756 55.023 55.803 -0.040 0.000 0.813 1012 Q CB 1.393 30.129 28.738 -0.004 0.000 1.428 1012 Q HN 0.287 nan 8.270 nan 0.000 0.402 1013 N N -0.111 118.544 118.700 -0.075 0.000 2.202 1013 N HA 0.066 4.806 4.740 0.000 0.000 0.218 1013 N C -0.871 174.595 175.510 -0.072 0.000 1.328 1013 N CA 0.352 53.356 53.050 -0.078 0.000 0.884 1013 N CB 0.349 38.791 38.487 -0.076 0.000 1.106 1013 N HN 0.380 nan 8.380 nan 0.000 0.439 1014 C N 0.617 119.859 119.300 -0.098 0.000 2.481 1014 C HA 0.176 4.636 4.460 0.000 0.000 0.324 1014 C C 1.731 176.651 174.990 -0.116 0.000 1.170 1014 C CA -0.817 58.122 59.018 -0.131 0.000 1.361 1014 C CB 1.085 28.671 27.740 -0.257 0.000 1.977 1014 C HN 0.570 nan 8.230 nan 0.000 0.459 1015 V N 2.477 122.339 119.914 -0.087 0.000 2.594 1015 V HA -0.016 4.104 4.120 0.000 0.000 0.253 1015 V C 2.117 178.165 176.094 -0.077 0.000 1.069 1015 V CA 3.214 65.477 62.300 -0.063 0.000 1.082 1015 V CB -1.450 30.349 31.823 -0.040 0.000 0.680 1015 V HN 1.350 nan 8.190 nan 0.000 0.469 1016 T N -1.439 113.044 114.554 -0.118 0.000 13.788 1016 T HA -0.428 3.922 4.350 0.000 0.000 0.419 1016 T C 1.376 176.028 174.700 -0.080 0.000 1.441 1016 T CA 3.237 65.260 62.100 -0.129 0.000 2.344 1016 T CB -1.745 67.053 68.868 -0.117 0.000 2.779 1016 T HN 1.064 nan 8.240 nan 0.000 0.444 1017 S N 0.395 116.062 115.700 -0.054 0.000 2.546 1017 S HA 0.591 5.062 4.470 0.000 0.000 0.282 1017 S C -0.520 174.067 174.600 -0.022 0.000 1.074 1017 S CA 1.388 59.566 58.200 -0.036 0.000 1.254 1017 S CB -0.224 62.955 63.200 -0.034 0.000 1.103 1017 S HN 0.686 nan 8.310 nan 0.000 0.589 1018 P HA 0.383 nan 4.420 nan 0.000 0.261 1018 P C 1.082 178.379 177.300 -0.004 0.000 1.297 1018 P CA 1.455 64.550 63.100 -0.007 0.000 0.757 1018 P CB -0.523 31.176 31.700 -0.002 0.000 1.149 1019 M N -3.877 115.719 119.600 -0.008 0.000 7.319 1019 M HA -0.030 4.450 4.480 0.000 0.000 0.182 1019 M C 0.188 176.489 176.300 0.001 0.000 0.480 1019 M CA 1.127 56.425 55.300 -0.004 0.000 1.311 1019 M CB -2.280 30.320 32.600 -0.001 0.000 0.421 1019 M HN 0.554 nan 8.290 nan 0.000 0.539 1020 N N -0.287 118.417 118.700 0.007 0.000 4.454 1020 N HA 0.851 5.591 4.740 0.000 0.000 0.201 1020 N C -0.608 174.911 175.510 0.015 0.000 1.131 1020 N CA 0.250 53.309 53.050 0.015 0.000 0.964 1020 N CB -0.034 38.464 38.487 0.018 0.000 1.579 1020 N HN 2.710 nan 8.380 nan 0.000 0.573 1021 I N -4.348 116.235 120.570 0.022 0.000 3.509 1021 I HA 0.902 5.072 4.170 0.000 0.000 0.311 1021 I C 0.899 177.028 176.117 0.021 0.000 1.178 1021 I CA 0.142 61.451 61.300 0.015 0.000 0.963 1021 I CB 1.556 39.563 38.000 0.012 0.000 1.352 1021 I HN 1.376 nan 8.210 nan 0.000 0.482 1022 D N -0.456 119.948 120.400 0.007 0.000 2.723 1022 D HA -0.119 4.521 4.640 0.000 0.000 0.236 1022 D C 0.877 177.170 176.300 -0.011 0.000 1.138 1022 D CA 2.056 56.059 54.000 0.003 0.000 0.676 1022 D CB -1.912 38.905 40.800 0.029 0.000 1.069 1022 D HN 1.107 nan 8.370 nan 0.000 0.430 1023 R N -0.751 119.719 120.500 -0.050 0.000 1.240 1023 R HA 0.467 4.807 4.340 0.000 0.000 0.091 1023 R C 2.939 179.051 176.300 -0.314 0.000 0.586 1023 R CA 2.322 58.345 56.100 -0.129 0.000 1.956 1023 R CB -1.742 28.486 30.300 -0.120 0.000 0.524 1023 R HN 1.953 nan 8.270 nan 0.000 0.749 1024 N N 0.240 118.702 118.700 -0.396 0.000 2.314 1024 N HA -0.078 4.662 4.740 0.000 0.000 0.191 1024 N C 2.288 177.590 175.510 -0.347 0.000 1.007 1024 N CA 3.683 56.426 53.050 -0.512 0.000 0.883 1024 N CB -1.205 37.098 38.487 -0.306 0.000 0.969 1024 N HN 1.217 nan 8.380 nan 0.000 0.441 1025 I N 0.912 121.370 120.570 -0.185 0.000 2.335 1025 I HA -0.149 4.021 4.170 0.000 0.000 0.251 1025 I C 2.833 178.925 176.117 -0.041 0.000 1.129 1025 I CA 2.597 63.848 61.300 -0.083 0.000 1.402 1025 I CB -2.091 35.880 38.000 -0.049 0.000 1.069 1025 I HN 0.759 nan 8.210 nan 0.000 0.424 1026 T N -3.019 111.505 114.554 -0.050 0.000 3.139 1026 T HA -0.195 4.155 4.350 0.000 0.000 0.267 1026 T C 1.294 176.077 174.700 0.138 0.000 1.164 1026 T CA 1.288 63.424 62.100 0.060 0.000 1.075 1026 T CB -1.402 67.554 68.868 0.147 0.000 0.904 1026 T HN 0.808 nan 8.240 nan 0.000 0.540 1027 H N 0.247 119.306 119.070 -0.018 0.000 2.689 1027 H HA 0.382 4.938 4.556 0.000 0.000 0.290 1027 H C 2.094 177.404 175.328 -0.030 0.000 1.089 1027 H CA -0.044 55.959 56.048 -0.076 0.000 1.194 1027 H CB -0.096 29.571 29.762 -0.159 0.000 1.289 1027 H HN 0.472 nan 8.280 nan 0.000 0.616 1028 L N 0.138 121.467 121.223 0.177 0.000 2.316 1028 L HA 0.068 4.409 4.340 0.000 0.000 0.207 1028 L C 1.285 178.311 176.870 0.261 0.000 1.070 1028 L CA 0.495 55.447 54.840 0.186 0.000 0.820 1028 L CB -0.500 41.608 42.059 0.080 0.000 0.992 1028 L HN 0.268 nan 8.230 nan 0.000 0.466 1029 Q N 0.571 120.485 119.800 0.191 0.000 2.349 1029 Q HA 0.535 4.875 4.340 0.000 0.000 0.254 1029 Q C -0.871 175.282 176.000 0.254 0.000 0.980 1029 Q CA -0.303 55.560 55.803 0.100 0.000 0.924 1029 Q CB 0.438 29.185 28.738 0.015 0.000 1.209 1029 Q HN 0.953 nan 8.270 nan 0.000 0.445 1030 Y N -0.257 120.020 120.300 -0.039 0.000 2.687 1030 Y HA 0.602 5.152 4.550 0.000 0.000 0.338 1030 Y C -1.237 174.643 175.900 -0.032 0.000 1.189 1030 Y CA -1.534 56.550 58.100 -0.026 0.000 1.097 1030 Y CB 0.181 38.607 38.460 -0.056 0.000 1.342 1030 Y HN 0.888 nan 8.280 nan 0.000 0.461 1031 C N 0.745 120.017 119.300 -0.047 0.000 2.486 1031 C HA 0.894 5.354 4.460 0.000 0.000 0.348 1031 C C 0.603 175.587 174.990 -0.011 0.000 1.203 1031 C CA -0.226 58.715 59.018 -0.127 0.000 1.911 1031 C CB 1.105 28.820 27.740 -0.041 0.000 2.340 1031 C HN 1.413 nan 8.230 nan 0.000 0.511 1032 V N -1.479 118.411 119.914 -0.039 0.000 2.804 1032 V HA 0.325 4.445 4.120 0.000 0.000 0.360 1032 V C 0.285 176.395 176.094 0.028 0.000 1.282 1032 V CA -0.329 61.989 62.300 0.030 0.000 1.274 1032 V CB -1.788 30.045 31.823 0.016 0.000 1.415 1032 V HN 0.983 nan 8.190 nan 0.000 0.610 1033 C N 1.786 121.106 119.300 0.034 0.000 2.657 1033 C HA 0.475 4.935 4.460 0.000 0.000 0.404 1033 C C 1.664 176.686 174.990 0.053 0.000 1.291 1033 C CA -0.365 58.673 59.018 0.033 0.000 2.218 1033 C CB 0.435 28.196 27.740 0.034 0.000 2.687 1033 C HN 0.838 nan 8.230 nan 0.000 0.634 1034 I N -0.646 119.946 120.570 0.036 0.000 3.856 1034 I HA 0.305 4.475 4.170 0.000 0.000 0.330 1034 I C -0.041 176.080 176.117 0.008 0.000 1.546 1034 I CA -0.063 61.258 61.300 0.035 0.000 1.132 1034 I CB -0.623 37.390 38.000 0.022 0.000 1.157 1034 I HN 0.656 nan 8.210 nan 0.000 0.440 1035 D N 1.247 121.655 120.400 0.012 0.000 2.855 1035 D HA 0.150 4.790 4.640 0.000 0.000 0.231 1035 D C -0.210 176.093 176.300 0.006 0.000 1.225 1035 D CA -0.173 53.822 54.000 -0.009 0.000 1.074 1035 D CB 0.019 40.816 40.800 -0.005 0.000 1.235 1035 D HN 0.220 nan 8.370 nan 0.000 0.635 1036 D N -0.934 119.470 120.400 0.008 0.000 2.538 1036 D HA 0.123 4.763 4.640 0.000 0.000 0.231 1036 D C -0.042 176.282 176.300 0.041 0.000 1.229 1036 D CA -0.485 53.533 54.000 0.030 0.000 0.828 1036 D CB -0.851 39.956 40.800 0.013 0.000 1.035 1036 D HN 0.431 nan 8.370 nan 0.000 0.495 1037 C N 0.755 120.077 119.300 0.036 0.000 4.300 1037 C HA -0.127 4.334 4.460 0.000 0.000 0.304 1037 C C 1.746 176.754 174.990 0.029 0.000 1.367 1037 C CA 0.568 59.607 59.018 0.034 0.000 2.032 1037 C CB -3.274 24.495 27.740 0.048 0.000 1.285 1037 C HN 0.452 nan 8.230 nan 0.000 0.737 1038 S N -0.459 115.253 115.700 0.020 0.000 2.499 1038 S HA 0.059 4.529 4.470 0.000 0.000 0.225 1038 S C 1.183 175.790 174.600 0.013 0.000 1.050 1038 S CA 0.631 58.842 58.200 0.018 0.000 0.928 1038 S CB 0.135 63.343 63.200 0.013 0.000 0.803 1038 S HN 0.973 nan 8.310 nan 0.000 0.506 1039 S N 2.438 118.143 115.700 0.008 0.000 2.580 1039 S HA 0.066 4.537 4.470 0.000 0.000 0.261 1039 S C 1.127 175.729 174.600 0.003 0.000 1.366 1039 S CA 0.054 58.257 58.200 0.003 0.000 0.996 1039 S CB 0.361 63.560 63.200 -0.000 0.000 0.902 1039 S HN 0.428 nan 8.310 nan 0.000 0.566 1040 S N -0.333 115.366 115.700 -0.001 0.000 2.593 1040 S HA 0.110 4.580 4.470 0.000 0.000 0.217 1040 S C 0.543 175.137 174.600 -0.009 0.000 0.966 1040 S CA -0.153 58.046 58.200 -0.002 0.000 0.914 1040 S CB -0.579 62.619 63.200 -0.003 0.000 0.776 1040 S HN 0.675 nan 8.310 nan 0.000 0.523 1041 N N 0.790 119.483 118.700 -0.012 0.000 2.336 1041 N HA 0.178 4.918 4.740 0.000 0.000 0.189 1041 N C -0.114 175.378 175.510 -0.030 0.000 1.113 1041 N CA -0.130 52.907 53.050 -0.023 0.000 0.858 1041 N CB -0.033 38.441 38.487 -0.021 0.000 0.970 1041 N HN 0.435 nan 8.380 nan 0.000 0.471 1042 C N 1.957 121.245 119.300 -0.019 0.000 2.693 1042 C HA 0.064 4.524 4.460 0.000 0.000 0.393 1042 C C 1.818 176.782 174.990 -0.044 0.000 1.348 1042 C CA -0.281 58.724 59.018 -0.020 0.000 1.508 1042 C CB -1.599 26.143 27.740 0.004 0.000 2.295 1042 C HN 0.460 nan 8.230 nan 0.000 0.605 1043 M N 3.776 123.327 119.600 -0.082 0.000 2.706 1043 M HA -0.090 4.390 4.480 0.000 0.000 0.253 1043 M C 1.752 177.973 176.300 -0.131 0.000 1.063 1043 M CA 1.023 56.245 55.300 -0.130 0.000 1.067 1043 M CB -0.486 31.989 32.600 -0.207 0.000 1.423 1043 M HN 0.803 nan 8.290 nan 0.000 0.530 1044 C N -0.670 118.591 119.300 -0.065 0.000 2.469 1044 C HA 0.184 4.644 4.460 0.000 0.000 0.309 1044 C C 2.856 177.873 174.990 0.045 0.000 1.385 1044 C CA 0.499 59.509 59.018 -0.013 0.000 1.890 1044 C CB -0.961 26.813 27.740 0.057 0.000 2.245 1044 C HN 0.667 nan 8.230 nan 0.000 0.530 1045 G N -0.053 108.770 108.800 0.039 0.000 2.471 1045 G HA2 -0.146 3.814 3.960 0.000 0.000 0.219 1045 G HA3 -0.146 3.814 3.960 0.000 0.000 0.219 1045 G C 1.640 176.563 174.900 0.039 0.000 1.125 1045 G CA 0.544 45.677 45.100 0.055 0.000 0.775 1045 G HN 0.516 nan 8.290 nan 0.000 0.548 1046 Q N 0.097 119.897 119.800 0.000 0.000 2.083 1046 Q HA 0.095 4.435 4.340 0.000 0.000 0.198 1046 Q C 2.704 178.698 176.000 -0.010 0.000 0.969 1046 Q CA 0.556 56.351 55.803 -0.013 0.000 0.838 1046 Q CB -0.345 28.367 28.738 -0.043 0.000 0.900 1046 Q HN 0.510 nan 8.270 nan 0.000 0.436 1047 L N 0.626 121.815 121.223 -0.056 0.000 2.353 1047 L HA -0.130 4.210 4.340 0.000 0.000 0.220 1047 L C 2.420 179.385 176.870 0.159 0.000 1.133 1047 L CA 1.083 55.868 54.840 -0.092 0.000 0.798 1047 L CB -0.746 41.002 42.059 -0.518 0.000 0.922 1047 L HN 0.180 nan 8.230 nan 0.000 0.445 1048 S N 0.063 115.887 115.700 0.206 0.000 2.562 1048 S HA 0.284 4.755 4.470 0.000 0.000 0.221 1048 S C 1.391 176.059 174.600 0.114 0.000 0.975 1048 S CA 1.333 59.666 58.200 0.223 0.000 0.918 1048 S CB -0.251 63.050 63.200 0.168 0.000 0.772 1048 S HN 0.328 nan 8.310 nan 0.000 0.531 1049 M N 0.137 119.784 119.600 0.078 0.000 3.859 1049 M HA 0.694 5.174 4.480 0.000 0.000 0.494 1049 M C -0.021 176.299 176.300 0.033 0.000 1.804 1049 M CA 0.271 55.599 55.300 0.047 0.000 0.670 1049 M CB -0.709 31.908 32.600 0.029 0.000 1.466 1049 M HN 0.893 nan 8.290 nan 0.000 0.548 1050 R N -1.108 119.416 120.500 0.040 0.000 2.561 1050 R HA 0.921 5.261 4.340 0.000 0.000 0.266 1050 R C 0.681 176.997 176.300 0.026 0.000 1.091 1050 R CA 0.405 56.516 56.100 0.018 0.000 0.927 1050 R CB -0.608 29.686 30.300 -0.010 0.000 1.240 1050 R HN 2.629 nan 8.270 nan 0.000 0.449 1069 P HA -0.167 nan 4.420 nan 0.000 0.278 1069 P C 0.607 177.926 177.300 0.033 0.000 1.271 1069 P CA 0.216 63.347 63.100 0.053 0.000 0.860 1069 P CB 0.755 32.493 31.700 0.065 0.000 0.864 1070 L N -0.894 120.358 121.223 0.049 0.000 2.527 1070 L HA -0.059 4.281 4.340 0.000 0.000 0.308 1070 L C 0.965 177.825 176.870 -0.017 0.000 1.294 1070 L CA 1.021 55.865 54.840 0.007 0.000 0.838 1070 L CB -0.451 41.644 42.059 0.061 0.000 1.077 1070 L HN 0.289 nan 8.230 nan 0.000 0.552 1071 I N 0.448 120.945 120.570 -0.122 0.000 2.710 1071 I HA 0.241 4.411 4.170 0.000 0.000 0.290 1071 I C -1.266 174.746 176.117 -0.175 0.000 1.318 1071 I CA -0.334 60.935 61.300 -0.053 0.000 1.045 1071 I CB 2.109 40.072 38.000 -0.061 0.000 1.307 1071 I HN 0.233 nan 8.210 nan 0.000 0.424 1072 F N 4.471 124.479 119.950 0.097 0.000 2.458 1072 F HA 0.482 5.009 4.527 -0.000 0.000 0.336 1072 F C 0.446 176.293 175.800 0.079 0.000 1.114 1072 F CA -0.464 57.606 58.000 0.118 0.000 0.987 1072 F CB 1.663 40.718 39.000 0.091 0.000 1.130 1072 F HN 0.276 nan 8.300 nan 0.000 0.458 1073 E N 1.288 121.623 120.200 0.224 0.000 2.222 1073 E HA 0.397 4.747 4.350 0.000 0.000 0.267 1073 E C -0.928 175.768 176.600 0.159 0.000 0.963 1073 E CA -0.898 55.588 56.400 0.144 0.000 0.837 1073 E CB 1.833 31.575 29.700 0.069 0.000 1.183 1073 E HN 0.527 nan 8.360 nan 0.000 0.403 1074 C N 2.080 121.453 119.300 0.122 0.000 2.689 1074 C HA 0.165 4.625 4.460 0.000 0.000 0.409 1074 C C 0.627 175.695 174.990 0.129 0.000 1.293 1074 C CA -0.261 58.831 59.018 0.123 0.000 2.136 1074 C CB -1.035 26.767 27.740 0.104 0.000 2.719 1074 C HN 0.838 nan 8.230 nan 0.000 0.644 1075 N N -0.548 118.237 118.700 0.142 0.000 3.157 1075 N HA 0.304 5.044 4.740 0.000 0.000 0.291 1075 N C 0.526 176.132 175.510 0.160 0.000 1.515 1075 N CA -0.686 52.469 53.050 0.176 0.000 0.807 1075 N CB 0.189 38.806 38.487 0.217 0.000 1.672 1075 N HN 0.737 nan 8.380 nan 0.000 0.592 1076 H N -1.777 117.332 119.070 0.064 0.000 2.518 1076 H HA 0.101 4.657 4.556 0.000 0.000 0.289 1076 H C 1.128 176.446 175.328 -0.017 0.000 1.051 1076 H CA 1.458 57.523 56.048 0.030 0.000 1.280 1076 H CB -0.577 29.209 29.762 0.041 0.000 1.380 1076 H HN 0.655 nan 8.280 nan 0.000 0.566 1077 A N 1.275 123.847 122.820 -0.414 0.000 2.016 1077 A HA 0.061 4.381 4.320 0.000 0.000 0.217 1077 A C 1.608 179.080 177.584 -0.187 0.000 1.162 1077 A CA 0.252 51.992 52.037 -0.496 0.000 0.662 1077 A CB -0.552 18.052 19.000 -0.660 0.000 0.812 1077 A HN 0.473 nan 8.150 nan 0.000 0.450 1078 C N -0.791 118.519 119.300 0.016 0.000 2.801 1078 C HA 0.245 4.705 4.460 0.000 0.000 0.376 1078 C C 2.131 177.177 174.990 0.094 0.000 1.323 1078 C CA 0.426 59.528 59.018 0.140 0.000 2.170 1078 C CB 0.663 28.482 27.740 0.131 0.000 2.650 1078 C HN 0.546 nan 8.230 nan 0.000 0.736 1079 S N -0.493 115.281 115.700 0.123 0.000 2.503 1079 S HA 0.024 4.494 4.470 0.000 0.000 0.215 1079 S C 0.850 175.533 174.600 0.139 0.000 1.003 1079 S CA -0.002 58.261 58.200 0.106 0.000 0.910 1079 S CB -0.191 63.074 63.200 0.107 0.000 0.790 1079 S HN 0.931 nan 8.310 nan 0.000 0.514 1080 C N 0.646 120.034 119.300 0.146 0.000 2.767 1080 C HA 0.379 4.839 4.460 0.000 0.000 0.353 1080 C C 0.406 175.557 174.990 0.268 0.000 1.376 1080 C CA -1.572 57.568 59.018 0.204 0.000 2.284 1080 C CB -1.047 26.785 27.740 0.152 0.000 2.535 1080 C HN 0.469 nan 8.230 nan 0.000 0.745 1081 W N 0.391 121.709 121.300 0.030 0.000 2.303 1081 W HA 0.530 5.190 4.660 -0.000 0.000 0.334 1081 W C 1.734 178.272 176.519 0.032 0.000 1.197 1081 W CA -0.377 56.985 57.345 0.028 0.000 1.262 1081 W CB 0.380 29.854 29.460 0.023 0.000 1.153 1081 W HN 0.812 nan 8.180 nan 0.000 0.596 1082 R N 1.899 122.473 120.500 0.124 0.000 2.211 1082 R HA -0.226 4.114 4.340 0.000 0.000 0.240 1082 R C 0.903 177.280 176.300 0.128 0.000 1.144 1082 R CA 2.191 58.341 56.100 0.084 0.000 0.992 1082 R CB -0.740 29.567 30.300 0.011 0.000 0.869 1082 R HN 0.675 nan 8.270 nan 0.000 0.462 1083 N N -0.825 117.997 118.700 0.204 0.000 2.320 1083 N HA 0.057 4.797 4.740 0.000 0.000 0.237 1083 N C -0.025 175.565 175.510 0.133 0.000 1.129 1083 N CA -0.158 52.987 53.050 0.159 0.000 0.854 1083 N CB -0.130 38.461 38.487 0.172 0.000 1.083 1083 N HN 0.246 nan 8.380 nan 0.000 0.504 1084 C N 0.197 119.579 119.300 0.137 0.000 2.649 1084 C HA 0.292 4.752 4.460 0.000 0.000 0.377 1084 C C 1.607 176.643 174.990 0.076 0.000 1.321 1084 C CA -0.841 58.239 59.018 0.103 0.000 2.368 1084 C CB 0.440 28.246 27.740 0.110 0.000 2.597 1084 C HN 0.443 nan 8.230 nan 0.000 0.678 1085 R N 0.929 121.466 120.500 0.062 0.000 2.328 1085 R HA 0.017 4.357 4.340 0.000 0.000 0.206 1085 R C 0.431 176.766 176.300 0.059 0.000 0.990 1085 R CA 0.494 56.629 56.100 0.057 0.000 1.085 1085 R CB -0.540 29.790 30.300 0.050 0.000 0.998 1085 R HN 0.769 nan 8.270 nan 0.000 0.484 1086 N N 0.593 119.329 118.700 0.061 0.000 2.401 1086 N HA 0.077 4.817 4.740 0.000 0.000 0.264 1086 N C 0.092 175.632 175.510 0.050 0.000 1.238 1086 N CA -0.149 52.937 53.050 0.060 0.000 0.889 1086 N CB 0.473 39.001 38.487 0.069 0.000 1.196 1086 N HN 0.006 nan 8.380 nan 0.000 0.511 1087 R N -0.556 119.963 120.500 0.032 0.000 2.535 1087 R HA 0.173 4.513 4.340 0.000 0.000 0.323 1087 R C 1.132 177.398 176.300 -0.056 0.000 0.979 1087 R CA 0.139 56.242 56.100 0.005 0.000 1.120 1087 R CB 0.196 30.512 30.300 0.026 0.000 1.306 1087 R HN 0.025 nan 8.270 nan 0.000 0.540 1088 V N 0.771 120.649 119.914 -0.060 0.000 2.242 1088 V HA -0.364 3.756 4.120 0.000 0.000 0.257 1088 V C 2.392 178.218 176.094 -0.446 0.000 1.073 1088 V CA 2.412 64.629 62.300 -0.138 0.000 1.058 1088 V CB -0.984 30.806 31.823 -0.054 0.000 0.664 1088 V HN 0.036 nan 8.190 nan 0.000 0.451 1089 V N 1.269 120.801 119.914 -0.637 0.000 2.231 1089 V HA -0.343 3.777 4.120 0.000 0.000 0.248 1089 V C 2.684 178.477 176.094 -0.502 0.000 1.054 1089 V CA 2.682 64.362 62.300 -1.034 0.000 1.015 1089 V CB -0.973 30.491 31.823 -0.598 0.000 0.638 1089 V HN 0.885 nan 8.190 nan 0.000 0.444 1090 Q N -0.158 119.493 119.800 -0.247 0.000 2.541 1090 Q HA -0.116 4.224 4.340 0.000 0.000 0.215 1090 Q C 1.139 177.103 176.000 -0.062 0.000 0.977 1090 Q CA 1.164 56.898 55.803 -0.116 0.000 0.934 1090 Q CB -0.478 28.218 28.738 -0.070 0.000 0.988 1090 Q HN 0.521 nan 8.270 nan 0.000 0.521 1091 N N 0.997 119.656 118.700 -0.068 0.000 2.383 1091 N HA 0.131 4.871 4.740 0.000 0.000 0.192 1091 N C 0.283 175.823 175.510 0.049 0.000 1.141 1091 N CA 0.949 53.999 53.050 -0.001 0.000 0.851 1091 N CB 0.561 39.054 38.487 0.011 0.000 0.976 1091 N HN 0.492 nan 8.380 nan 0.000 0.465 1092 G N 0.636 109.478 108.800 0.069 0.000 2.877 1092 G HA2 -0.284 3.676 3.960 0.000 0.000 0.279 1092 G HA3 -0.284 3.676 3.960 0.000 0.000 0.279 1092 G C -0.374 174.672 174.900 0.242 0.000 1.431 1092 G CA -0.379 44.811 45.100 0.151 0.000 0.883 1092 G HN 0.363 nan 8.290 nan 0.000 0.547 1093 L N 0.538 121.871 121.223 0.182 0.000 2.456 1093 L HA 0.636 4.977 4.340 0.000 0.000 0.272 1093 L C 1.650 178.569 176.870 0.082 0.000 1.189 1093 L CA 1.099 56.001 54.840 0.104 0.000 0.846 1093 L CB 0.772 42.868 42.059 0.063 0.000 1.111 1093 L HN 0.995 nan 8.230 nan 0.000 0.475 1094 R N 4.027 124.558 120.500 0.052 0.000 2.582 1094 R HA 0.376 4.716 4.340 0.000 0.000 0.285 1094 R C -0.352 175.959 176.300 0.019 0.000 0.940 1094 R CA 0.444 56.571 56.100 0.045 0.000 1.072 1094 R CB -0.500 29.839 30.300 0.066 0.000 1.527 1094 R HN 0.635 nan 8.270 nan 0.000 0.538 1095 A N 2.325 125.142 122.820 -0.005 0.000 2.354 1095 A HA 0.526 4.846 4.320 0.000 0.000 0.269 1095 A C -0.360 177.220 177.584 -0.007 0.000 1.109 1095 A CA -0.468 51.560 52.037 -0.015 0.000 0.800 1095 A CB 0.282 19.256 19.000 -0.044 0.000 1.045 1095 A HN 0.295 nan 8.150 nan 0.000 0.489 1096 R N 2.064 122.562 120.500 -0.005 0.000 2.308 1096 R HA 0.333 4.673 4.340 0.000 0.000 0.325 1096 R C -0.736 175.562 176.300 -0.003 0.000 1.161 1096 R CA 0.076 56.175 56.100 -0.002 0.000 1.022 1096 R CB -0.136 30.162 30.300 -0.004 0.000 1.091 1096 R HN 0.640 nan 8.270 nan 0.000 0.497 1097 L N 1.298 122.525 121.223 0.007 0.000 2.416 1097 L HA 0.483 4.823 4.340 0.000 0.000 0.263 1097 L C 0.083 176.970 176.870 0.028 0.000 1.065 1097 L CA -0.865 53.987 54.840 0.020 0.000 0.798 1097 L CB 0.959 43.042 42.059 0.040 0.000 1.267 1097 L HN 0.438 nan 8.230 nan 0.000 0.467 1098 Q N 1.383 121.213 119.800 0.051 0.000 2.263 1098 Q HA 0.312 4.652 4.340 0.000 0.000 0.262 1098 Q C -1.794 174.292 176.000 0.144 0.000 0.984 1098 Q CA -0.832 55.008 55.803 0.063 0.000 0.813 1098 Q CB 2.377 31.137 28.738 0.036 0.000 1.299 1098 Q HN 0.513 nan 8.270 nan 0.000 0.428 1099 L N 6.267 127.534 121.223 0.075 0.000 2.385 1099 L HA 0.310 4.650 4.340 0.000 0.000 0.281 1099 L C -1.399 175.576 176.870 0.175 0.000 1.106 1099 L CA 0.281 55.131 54.840 0.018 0.000 0.856 1099 L CB -0.325 41.550 42.059 -0.307 0.000 1.186 1099 L HN 0.551 nan 8.230 nan 0.000 0.453 1100 Y N 2.777 123.164 120.300 0.145 0.000 2.598 1100 Y HA 0.754 5.304 4.550 0.000 0.000 0.340 1100 Y C -0.328 175.814 175.900 0.403 0.000 1.038 1100 Y CA -1.607 56.643 58.100 0.251 0.000 1.100 1100 Y CB 0.828 39.361 38.460 0.121 0.000 1.281 1100 Y HN 0.530 nan 8.280 nan 0.000 0.488 1101 R N 2.567 123.134 120.500 0.113 0.000 2.205 1101 R HA 0.268 4.608 4.340 0.000 0.000 0.342 1101 R C -0.444 175.622 176.300 -0.390 0.000 1.058 1101 R CA -0.149 55.685 56.100 -0.443 0.000 0.904 1101 R CB -0.156 29.750 30.300 -0.657 0.000 1.089 1101 R HN 0.934 nan 8.270 nan 0.000 0.471 1102 T N 0.336 114.568 114.554 -0.536 0.000 2.813 1102 T HA 0.246 4.596 4.350 0.000 0.000 0.297 1102 T C 1.460 176.039 174.700 -0.202 0.000 1.036 1102 T CA 0.077 61.988 62.100 -0.314 0.000 1.044 1102 T CB 1.252 69.949 68.868 -0.285 0.000 0.993 1102 T HN 0.654 nan 8.240 nan 0.000 0.535 1103 R N 0.269 120.713 120.500 -0.093 0.000 2.193 1103 R HA 0.053 4.393 4.340 0.000 0.000 0.213 1103 R C 1.742 177.983 176.300 -0.098 0.000 1.055 1103 R CA 1.542 57.591 56.100 -0.085 0.000 0.995 1103 R CB -1.194 29.085 30.300 -0.034 0.000 0.893 1103 R HN 0.894 nan 8.270 nan 0.000 0.459 1104 D N -1.565 118.777 120.400 -0.097 0.000 2.526 1104 D HA 0.135 4.775 4.640 0.000 0.000 0.293 1104 D C 1.159 177.385 176.300 -0.125 0.000 1.081 1104 D CA 0.323 54.265 54.000 -0.097 0.000 0.924 1104 D CB 0.492 41.255 40.800 -0.062 0.000 1.498 1104 D HN 0.390 nan 8.370 nan 0.000 0.497 1105 M N 0.827 120.354 119.600 -0.122 0.000 2.571 1105 M HA 0.299 4.779 4.480 0.000 0.000 0.235 1105 M C 1.125 177.344 176.300 -0.134 0.000 1.216 1105 M CA 0.137 55.361 55.300 -0.127 0.000 0.979 1105 M CB 0.815 33.365 32.600 -0.083 0.000 1.616 1105 M HN 0.106 nan 8.290 nan 0.000 0.469 1106 G N 0.756 109.438 108.800 -0.197 0.000 2.509 1106 G HA2 -0.262 3.698 3.960 0.000 0.000 0.259 1106 G HA3 -0.262 3.698 3.960 0.000 0.000 0.259 1106 G C -0.757 173.941 174.900 -0.337 0.000 1.169 1106 G CA -0.505 44.431 45.100 -0.274 0.000 0.953 1106 G HN 0.549 nan 8.290 nan 0.000 0.563 1107 W N 1.049 122.284 121.300 -0.107 0.000 2.161 1107 W HA 0.527 5.187 4.660 0.001 0.000 0.344 1107 W C 0.881 177.265 176.519 -0.226 0.000 1.262 1107 W CA 0.609 57.831 57.345 -0.206 0.000 1.270 1107 W CB 1.112 30.462 29.460 -0.184 0.000 1.126 1107 W HN 1.007 nan 8.180 nan 0.000 0.598 1108 G N -0.359 108.383 108.800 -0.096 0.000 2.684 1108 G HA2 0.616 4.576 3.960 0.000 0.000 0.290 1108 G HA3 0.616 4.576 3.960 0.000 0.000 0.290 1108 G C -2.226 172.780 174.900 0.176 0.000 1.425 1108 G CA -0.877 44.165 45.100 -0.097 0.000 0.822 1108 G HN 0.303 nan 8.290 nan 0.000 0.482 1109 V N 0.494 120.622 119.914 0.357 0.000 2.483 1109 V HA 0.702 4.822 4.120 0.000 0.000 0.297 1109 V C -0.080 176.209 176.094 0.324 0.000 1.027 1109 V CA -0.867 61.645 62.300 0.353 0.000 0.855 1109 V CB 1.300 33.279 31.823 0.259 0.000 0.995 1109 V HN 1.062 nan 8.190 nan 0.000 0.424 1110 R N 2.309 122.938 120.500 0.216 0.000 2.854 1110 R HA 0.823 5.164 4.340 0.000 0.000 0.271 1110 R C -0.354 175.943 176.300 -0.004 0.000 0.994 1110 R CA -0.532 55.585 56.100 0.029 0.000 0.945 1110 R CB 1.740 31.898 30.300 -0.236 0.000 1.194 1110 R HN 0.530 nan 8.270 nan 0.000 0.476 1111 S N 0.873 116.557 115.700 -0.027 0.000 2.562 1111 S HA 0.291 4.761 4.470 0.000 0.000 0.275 1111 S C 0.393 174.967 174.600 -0.045 0.000 1.281 1111 S CA -0.890 57.294 58.200 -0.026 0.000 1.045 1111 S CB 0.445 63.630 63.200 -0.025 0.000 0.962 1111 S HN 0.642 nan 8.310 nan 0.000 0.503 1112 L N 3.678 124.881 121.223 -0.034 0.000 2.667 1112 L HA 0.300 4.640 4.340 0.000 0.000 0.232 1112 L C 0.721 177.575 176.870 -0.027 0.000 1.138 1112 L CA -0.204 54.613 54.840 -0.038 0.000 0.921 1112 L CB -0.330 41.712 42.059 -0.028 0.000 1.180 1112 L HN 0.735 nan 8.230 nan 0.000 0.487 1113 Q N -2.438 117.348 119.800 -0.023 0.000 2.615 1113 Q HA 0.428 4.769 4.340 0.000 0.000 0.298 1113 Q C -1.491 174.500 176.000 -0.015 0.000 1.023 1113 Q CA -1.022 54.771 55.803 -0.016 0.000 0.768 1113 Q CB 1.550 30.282 28.738 -0.009 0.000 1.500 1113 Q HN -0.204 nan 8.270 nan 0.000 0.441 1114 D N 0.362 120.757 120.400 -0.009 0.000 2.255 1114 D HA 0.487 5.127 4.640 0.000 0.000 0.249 1114 D C -0.961 175.339 176.300 -0.000 0.000 1.078 1114 D CA -0.068 53.929 54.000 -0.005 0.000 0.896 1114 D CB 0.873 41.672 40.800 -0.001 0.000 1.194 1114 D HN 0.427 nan 8.370 nan 0.000 0.429 1115 I N 3.717 124.288 120.570 0.002 0.000 2.466 1115 I HA 0.301 4.471 4.170 0.000 0.000 0.289 1115 I C -2.274 173.856 176.117 0.022 0.000 1.026 1115 I CA -2.209 59.097 61.300 0.009 0.000 1.078 1115 I CB 2.273 40.272 38.000 -0.001 0.000 1.249 1115 I HN 0.118 nan 8.210 nan 0.000 0.429 1116 P HA 0.180 nan 4.420 nan 0.000 0.274 1116 P C -2.474 174.863 177.300 0.062 0.000 1.237 1116 P CA -1.139 61.989 63.100 0.045 0.000 0.793 1116 P CB 0.003 31.735 31.700 0.052 0.000 0.977 1117 P HA 0.005 nan 4.420 nan 0.000 0.272 1117 P C 0.458 177.827 177.300 0.114 0.000 1.223 1117 P CA 0.484 63.630 63.100 0.077 0.000 0.784 1117 P CB 0.226 31.962 31.700 0.059 0.000 0.923 1118 G N 1.132 110.023 108.800 0.152 0.000 2.283 1118 G HA2 -0.190 3.770 3.960 0.000 0.000 0.280 1118 G HA3 -0.190 3.770 3.960 0.000 0.000 0.280 1118 G C 0.024 175.120 174.900 0.327 0.000 1.029 1118 G CA 0.293 45.520 45.100 0.212 0.000 0.840 1118 G HN 0.688 nan 8.290 nan 0.000 0.505 1119 T N 0.124 114.856 114.554 0.297 0.000 2.859 1119 T HA 0.525 4.875 4.350 0.000 0.000 0.281 1119 T C -0.005 174.810 174.700 0.190 0.000 1.005 1119 T CA -0.499 61.760 62.100 0.266 0.000 1.025 1119 T CB 1.709 70.656 68.868 0.131 0.000 0.977 1119 T HN 0.503 nan 8.240 nan 0.000 0.458 1120 F N 3.184 123.071 119.950 -0.104 0.000 2.506 1120 F HA 0.368 4.895 4.527 0.000 0.000 0.351 1120 F C 0.592 176.209 175.800 -0.305 0.000 1.136 1120 F CA -0.048 57.550 58.000 -0.671 0.000 1.298 1120 F CB 0.497 39.149 39.000 -0.581 0.000 1.145 1120 F HN 0.303 nan 8.300 nan 0.000 0.593 1121 V N 2.741 121.869 119.914 -1.309 0.000 3.159 1121 V HA 0.157 4.277 4.120 0.000 0.000 0.234 1121 V C -0.038 175.394 176.094 -1.103 0.000 1.313 1121 V CA 0.723 62.498 62.300 -0.875 0.000 1.271 1121 V CB 0.120 31.710 31.823 -0.389 0.000 1.053 1121 V HN 1.091 nan 8.190 nan 0.000 0.476 1122 C N 0.046 118.533 119.300 -1.355 0.000 3.068 1122 C HA 0.606 5.066 4.460 0.000 0.000 0.344 1122 C C -1.026 173.768 174.990 -0.328 0.000 1.223 1122 C CA -0.999 57.615 59.018 -0.674 0.000 1.153 1122 C CB 0.938 28.544 27.740 -0.222 0.000 1.396 1122 C HN 0.665 nan 8.230 nan 0.000 0.485 1123 E N 0.632 120.770 120.200 -0.103 0.000 2.222 1123 E HA 0.490 4.841 4.350 0.000 0.000 0.267 1123 E C -1.421 174.971 176.600 -0.347 0.000 0.963 1123 E CA -0.660 55.590 56.400 -0.248 0.000 0.837 1123 E CB 1.665 31.307 29.700 -0.097 0.000 1.183 1123 E HN 0.817 nan 8.360 nan 0.000 0.403 1124 Y N 2.744 122.607 120.300 -0.727 0.000 2.636 1124 Y HA 0.253 4.803 4.550 0.000 0.000 0.341 1124 Y C -1.011 174.637 175.900 -0.420 0.000 1.169 1124 Y CA -0.516 57.225 58.100 -0.598 0.000 1.498 1124 Y CB 0.263 38.145 38.460 -0.962 0.000 1.362 1124 Y HN 0.287 nan 8.280 nan 0.000 0.494 1125 V N 5.946 125.607 119.914 -0.422 0.000 2.498 1125 V HA 0.691 4.811 4.120 0.000 0.000 0.279 1125 V C 0.595 176.467 176.094 -0.371 0.000 1.048 1125 V CA 0.485 62.593 62.300 -0.319 0.000 0.967 1125 V CB 0.689 32.344 31.823 -0.280 0.000 0.988 1125 V HN 0.907 nan 8.190 nan 0.000 0.473 1126 G N 3.963 112.653 108.800 -0.184 0.000 2.753 1126 G HA2 0.581 4.541 3.960 0.000 0.000 0.303 1126 G HA3 0.581 4.541 3.960 0.000 0.000 0.303 1126 G C -1.116 173.763 174.900 -0.035 0.000 1.242 1126 G CA -0.531 44.506 45.100 -0.106 0.000 0.810 1126 G HN 0.711 nan 8.290 nan 0.000 0.515 1127 E N -0.124 120.083 120.200 0.012 0.000 2.191 1127 E HA 0.565 4.915 4.350 0.000 0.000 0.278 1127 E C -0.744 175.853 176.600 -0.004 0.000 0.972 1127 E CA -0.803 55.573 56.400 -0.040 0.000 0.804 1127 E CB 2.005 31.667 29.700 -0.064 0.000 1.110 1127 E HN 0.324 nan 8.360 nan 0.000 0.394 1128 L N 5.193 126.398 121.223 -0.030 0.000 2.325 1128 L HA 0.311 4.651 4.340 0.000 0.000 0.284 1128 L C 0.463 177.336 176.870 0.006 0.000 1.089 1128 L CA -0.362 54.476 54.840 -0.004 0.000 0.836 1128 L CB -0.539 41.511 42.059 -0.015 0.000 1.184 1128 L HN 0.640 nan 8.230 nan 0.000 0.444 1129 I N 0.446 121.035 120.570 0.030 0.000 3.709 1129 I HA 0.761 4.931 4.170 0.000 0.000 0.274 1129 I C 0.266 176.402 176.117 0.032 0.000 1.240 1129 I CA -0.644 60.677 61.300 0.034 0.000 1.076 1129 I CB 2.040 40.074 38.000 0.057 0.000 1.389 1129 I HN 0.530 nan 8.210 nan 0.000 0.529 1130 S N -0.700 115.019 115.700 0.033 0.000 2.638 1130 S HA 0.307 4.777 4.470 0.000 0.000 0.302 1130 S C 0.235 174.854 174.600 0.031 0.000 1.096 1130 S CA -0.433 57.785 58.200 0.029 0.000 0.953 1130 S CB 1.580 64.794 63.200 0.023 0.000 1.107 1130 S HN 0.762 nan 8.310 nan 0.000 0.503 1131 D N 0.991 121.408 120.400 0.028 0.000 2.263 1131 D HA -0.097 4.543 4.640 0.000 0.000 0.208 1131 D C 1.823 178.137 176.300 0.023 0.000 0.971 1131 D CA 1.724 55.739 54.000 0.025 0.000 0.867 1131 D CB -0.218 40.595 40.800 0.022 0.000 0.929 1131 D HN 0.571 nan 8.370 nan 0.000 0.492 1132 S N 0.008 115.722 115.700 0.022 0.000 2.336 1132 S HA -0.072 4.398 4.470 0.000 0.000 0.216 1132 S C 1.942 176.557 174.600 0.025 0.000 1.032 1132 S CA 0.485 58.697 58.200 0.020 0.000 0.973 1132 S CB -0.608 62.602 63.200 0.018 0.000 0.888 1132 S HN 0.267 nan 8.310 nan 0.000 0.455 1133 E N 2.150 122.367 120.200 0.028 0.000 2.160 1133 E HA -0.100 4.250 4.350 0.000 0.000 0.195 1133 E C 2.325 178.952 176.600 0.045 0.000 0.991 1133 E CA 0.915 57.337 56.400 0.036 0.000 0.810 1133 E CB -0.490 29.234 29.700 0.039 0.000 0.742 1133 E HN 0.646 nan 8.360 nan 0.000 0.466 1134 A N 1.605 124.451 122.820 0.043 0.000 1.948 1134 A HA -0.263 4.057 4.320 0.000 0.000 0.220 1134 A C 1.983 179.589 177.584 0.038 0.000 1.177 1134 A CA 1.800 53.865 52.037 0.046 0.000 0.636 1134 A CB -0.345 18.677 19.000 0.037 0.000 0.815 1134 A HN 0.151 nan 8.150 nan 0.000 0.449 1135 D N -0.776 119.641 120.400 0.029 0.000 2.347 1135 D HA 0.017 4.657 4.640 0.000 0.000 0.215 1135 D C 1.819 178.135 176.300 0.027 0.000 0.976 1135 D CA 0.782 54.795 54.000 0.022 0.000 0.884 1135 D CB 0.241 41.051 40.800 0.015 0.000 0.915 1135 D HN 0.250 nan 8.370 nan 0.000 0.526 1136 V N 0.951 120.886 119.914 0.035 0.000 2.273 1136 V HA -0.061 4.059 4.120 0.000 0.000 0.242 1136 V C 1.133 177.258 176.094 0.052 0.000 1.035 1136 V CA 0.812 63.136 62.300 0.039 0.000 1.013 1136 V CB -0.287 31.560 31.823 0.040 0.000 0.652 1136 V HN 0.099 nan 8.190 nan 0.000 0.452 1137 R N 0.786 121.329 120.500 0.071 0.000 2.583 1137 R HA 0.178 4.518 4.340 0.000 0.000 0.274 1137 R C 1.476 177.822 176.300 0.077 0.000 0.998 1137 R CA 0.643 56.801 56.100 0.096 0.000 1.081 1137 R CB 0.095 30.473 30.300 0.130 0.000 0.940 1137 R HN 0.602 nan 8.270 nan 0.000 0.413 1138 E N 3.112 123.362 120.200 0.084 0.000 2.051 1138 E HA -0.139 4.211 4.350 0.000 0.000 0.189 1138 E C 0.731 177.370 176.600 0.066 0.000 0.979 1138 E CA 1.049 57.488 56.400 0.065 0.000 0.803 1138 E CB -0.092 29.648 29.700 0.066 0.000 0.761 1138 E HN 0.758 nan 8.360 nan 0.000 0.451 1139 E N 1.551 121.804 120.200 0.087 0.000 1.996 1139 E HA 0.124 4.474 4.350 0.000 0.000 0.280 1139 E C -0.396 176.265 176.600 0.101 0.000 1.092 1139 E CA 0.210 56.665 56.400 0.092 0.000 0.862 1139 E CB 0.606 30.359 29.700 0.087 0.000 1.066 1139 E HN 0.473 nan 8.360 nan 0.000 0.396 1140 D N 2.323 122.775 120.400 0.086 0.000 2.395 1140 D HA -0.021 4.619 4.640 0.000 0.000 0.213 1140 D C 0.466 176.833 176.300 0.112 0.000 1.110 1140 D CA -0.082 53.969 54.000 0.086 0.000 0.835 1140 D CB 0.231 41.050 40.800 0.032 0.000 0.965 1140 D HN 0.247 nan 8.370 nan 0.000 0.505 1141 S N -0.312 115.466 115.700 0.129 0.000 2.584 1141 S HA -0.097 4.373 4.470 0.000 0.000 0.240 1141 S C 0.033 174.539 174.600 -0.157 0.000 0.975 1141 S CA 0.303 58.549 58.200 0.077 0.000 0.949 1141 S CB -0.552 62.669 63.200 0.035 0.000 0.761 1141 S HN 0.413 nan 8.310 nan 0.000 0.536 1142 Y N 0.489 120.824 120.300 0.057 0.000 2.629 1142 Y HA 0.487 5.037 4.550 0.000 0.000 0.282 1142 Y C -0.052 175.922 175.900 0.123 0.000 0.994 1142 Y CA -0.545 57.584 58.100 0.048 0.000 1.126 1142 Y CB 0.213 38.639 38.460 -0.058 0.000 1.187 1142 Y HN 0.084 nan 8.280 nan 0.000 0.600 1143 L N 0.018 121.346 121.223 0.175 0.000 2.332 1143 L HA 0.549 4.890 4.340 0.000 0.000 0.269 1143 L C -1.189 175.717 176.870 0.060 0.000 1.016 1143 L CA -0.952 53.976 54.840 0.147 0.000 0.809 1143 L CB 1.862 43.977 42.059 0.093 0.000 1.280 1143 L HN 0.095 nan 8.230 nan 0.000 0.447 1144 F N 0.597 120.460 119.950 -0.145 0.000 2.941 1144 F HA 0.284 4.811 4.527 0.001 0.000 0.359 1144 F C -0.686 175.027 175.800 -0.144 0.000 1.231 1144 F CA -0.873 56.955 58.000 -0.287 0.000 1.089 1144 F CB 1.044 39.614 39.000 -0.717 0.000 1.407 1144 F HN 0.415 nan 8.300 nan 0.000 0.538 1145 D N 4.966 125.268 120.400 -0.163 0.000 2.399 1145 D HA 0.247 4.887 4.640 0.000 0.000 0.241 1145 D C 0.928 177.227 176.300 -0.002 0.000 1.133 1145 D CA 0.103 54.068 54.000 -0.058 0.000 0.890 1145 D CB 1.346 42.097 40.800 -0.082 0.000 1.201 1145 D HN 0.455 nan 8.370 nan 0.000 0.432 1146 L N 0.746 121.993 121.223 0.039 0.000 2.296 1146 L HA 0.130 4.471 4.340 0.000 0.000 0.193 1146 L C -0.111 176.784 176.870 0.043 0.000 1.123 1146 L CA 0.043 54.916 54.840 0.056 0.000 0.805 1146 L CB -0.005 42.085 42.059 0.051 0.000 1.004 1146 L HN 0.395 nan 8.230 nan 0.000 0.478 1147 D N 1.288 121.713 120.400 0.041 0.000 3.114 1147 D HA -0.118 4.522 4.640 0.000 0.000 0.253 1147 D C -0.244 176.094 176.300 0.063 0.000 1.046 1147 D CA 0.420 54.446 54.000 0.043 0.000 0.897 1147 D CB -1.528 39.293 40.800 0.035 0.000 1.018 1147 D HN 0.594 nan 8.370 nan 0.000 0.425 1148 N N -0.452 118.290 118.700 0.070 0.000 2.926 1148 N HA 0.049 4.789 4.740 0.000 0.000 0.284 1148 N C 1.333 176.890 175.510 0.078 0.000 1.303 1148 N CA 1.025 54.130 53.050 0.093 0.000 1.062 1148 N CB 0.510 39.053 38.487 0.093 0.000 1.389 1148 N HN 0.842 nan 8.380 nan 0.000 0.538 1149 K N -2.184 118.258 120.400 0.070 0.000 8.623 1149 K HA -0.370 3.950 4.320 0.000 0.000 0.494 1149 K C 0.594 177.221 176.600 0.044 0.000 0.366 1149 K CA 2.429 58.750 56.287 0.057 0.000 1.954 1149 K CB -2.719 29.816 32.500 0.059 0.000 0.699 1149 K HN 0.898 nan 8.250 nan 0.000 0.968 1150 D N -0.894 119.531 120.400 0.042 0.000 2.433 1150 D HA 0.586 5.226 4.640 0.000 0.000 0.255 1150 D C 1.667 177.986 176.300 0.032 0.000 1.226 1150 D CA 0.676 54.697 54.000 0.034 0.000 1.015 1150 D CB 0.362 41.181 40.800 0.031 0.000 1.091 1150 D HN 1.384 nan 8.370 nan 0.000 0.527 1151 G N -1.962 106.853 108.800 0.026 0.000 2.848 1151 G HA2 0.267 4.227 3.960 0.000 0.000 0.208 1151 G HA3 0.267 4.227 3.960 0.000 0.000 0.208 1151 G C 1.406 176.321 174.900 0.025 0.000 1.152 1151 G CA 1.649 46.764 45.100 0.024 0.000 0.789 1151 G HN 0.954 nan 8.290 nan 0.000 0.531 1152 E N 0.084 120.301 120.200 0.028 0.000 2.033 1152 E HA 0.097 4.447 4.350 0.000 0.000 0.199 1152 E C 1.338 177.957 176.600 0.030 0.000 1.011 1152 E CA 1.143 57.560 56.400 0.029 0.000 0.815 1152 E CB -0.857 28.864 29.700 0.035 0.000 0.755 1152 E HN 0.893 nan 8.360 nan 0.000 0.451 1153 V N -3.229 116.706 119.914 0.035 0.000 3.760 1153 V HA 0.224 4.344 4.120 0.000 0.000 0.535 1153 V C 0.271 176.386 176.094 0.035 0.000 0.682 1153 V CA 1.782 64.103 62.300 0.034 0.000 2.097 1153 V CB -1.803 30.036 31.823 0.026 0.000 2.497 1153 V HN 1.968 nan 8.190 nan 0.000 0.518 1154 Y N -1.419 118.902 120.300 0.036 0.000 2.818 1154 Y HA 0.727 5.277 4.550 0.000 0.000 0.341 1154 Y C -0.172 175.754 175.900 0.043 0.000 1.283 1154 Y CA -0.495 57.628 58.100 0.038 0.000 1.075 1154 Y CB 1.277 39.761 38.460 0.039 0.000 1.370 1154 Y HN 1.301 nan 8.280 nan 0.000 0.448 1155 C N -0.196 119.135 119.300 0.052 0.000 3.335 1155 C HA 0.904 5.364 4.460 0.000 0.000 0.356 1155 C C -0.872 174.171 174.990 0.089 0.000 1.570 1155 C CA -0.711 58.349 59.018 0.071 0.000 1.271 1155 C CB 1.815 29.596 27.740 0.068 0.000 1.873 1155 C HN 0.897 nan 8.230 nan 0.000 0.439 1156 I N 1.898 122.548 120.570 0.133 0.000 2.560 1156 I HA 0.247 4.417 4.170 0.000 0.000 0.283 1156 I C -1.522 174.748 176.117 0.254 0.000 1.115 1156 I CA 0.188 61.590 61.300 0.171 0.000 1.066 1156 I CB 1.209 39.325 38.000 0.193 0.000 1.221 1156 I HN 0.612 nan 8.210 nan 0.000 0.450 1157 D N 5.886 126.397 120.400 0.185 0.000 2.303 1157 D HA 0.473 5.113 4.640 0.000 0.000 0.236 1157 D C -0.075 176.286 176.300 0.102 0.000 1.068 1157 D CA -0.240 53.866 54.000 0.177 0.000 0.830 1157 D CB 2.386 43.271 40.800 0.141 0.000 1.109 1157 D HN 0.636 nan 8.370 nan 0.000 0.496 1158 A N 4.367 127.217 122.820 0.050 0.000 2.708 1158 A HA 0.115 4.435 4.320 0.000 0.000 0.293 1158 A C 1.487 178.824 177.584 -0.412 0.000 1.303 1158 A CA -0.396 51.530 52.037 -0.184 0.000 0.949 1158 A CB 0.052 18.827 19.000 -0.376 0.000 1.121 1158 A HN 0.488 nan 8.150 nan 0.000 0.542 1159 R N -0.305 119.931 120.500 -0.441 0.000 2.062 1159 R HA 0.081 4.421 4.340 0.000 0.000 0.226 1159 R C 0.685 176.474 176.300 -0.851 0.000 1.125 1159 R CA 2.182 57.752 56.100 -0.884 0.000 0.966 1159 R CB -0.484 29.218 30.300 -0.996 0.000 0.861 1159 R HN 0.447 nan 8.270 nan 0.000 0.433 1160 F N -2.165 117.734 119.950 -0.085 0.000 2.500 1160 F HA 0.318 4.845 4.527 0.000 0.000 0.285 1160 F C 0.051 175.682 175.800 -0.281 0.000 1.088 1160 F CA -0.147 57.781 58.000 -0.120 0.000 1.432 1160 F CB 0.062 39.069 39.000 0.010 0.000 1.131 1160 F HN -0.186 nan 8.300 nan 0.000 0.582 1161 Y N -0.140 120.193 120.300 0.055 0.000 2.350 1161 Y HA 0.661 5.211 4.550 -0.000 0.000 0.338 1161 Y C 0.394 176.186 175.900 -0.180 0.000 0.961 1161 Y CA -1.053 57.034 58.100 -0.023 0.000 1.100 1161 Y CB 1.757 40.209 38.460 -0.012 0.000 1.179 1161 Y HN 0.019 nan 8.280 nan 0.000 0.454 1162 G N 2.269 110.976 108.800 -0.154 0.000 2.466 1162 G HA2 0.268 4.228 3.960 0.000 0.000 0.291 1162 G HA3 0.268 4.228 3.960 0.000 0.000 0.291 1162 G C -1.879 172.631 174.900 -0.650 0.000 1.460 1162 G CA -1.133 43.722 45.100 -0.409 0.000 0.791 1162 G HN 0.578 nan 8.290 nan 0.000 0.505 1163 N N -1.416 116.842 118.700 -0.737 0.000 2.813 1163 N HA 0.342 5.083 4.740 0.000 0.000 0.320 1163 N C 1.228 176.521 175.510 -0.360 0.000 1.315 1163 N CA -0.088 52.371 53.050 -0.984 0.000 0.871 1163 N CB 1.167 39.274 38.487 -0.634 0.000 1.241 1163 N HN 0.698 nan 8.380 nan 0.000 0.602 1164 V N 0.519 120.510 119.914 0.128 0.000 2.944 1164 V HA -0.195 3.925 4.120 0.000 0.000 0.265 1164 V C 1.757 177.926 176.094 0.125 0.000 1.125 1164 V CA 2.004 64.478 62.300 0.291 0.000 1.145 1164 V CB -1.095 30.912 31.823 0.307 0.000 0.725 1164 V HN 0.682 nan 8.190 nan 0.000 0.510 1165 S N 0.505 116.167 115.700 -0.064 0.000 2.453 1165 S HA -0.116 4.354 4.470 0.000 0.000 0.231 1165 S C 1.765 176.321 174.600 -0.073 0.000 1.005 1165 S CA 1.190 59.377 58.200 -0.021 0.000 0.949 1165 S CB -0.294 62.846 63.200 -0.100 0.000 0.774 1165 S HN 0.889 nan 8.310 nan 0.000 0.510 1166 R N 0.085 120.371 120.500 -0.357 0.000 2.316 1166 R HA 0.064 4.404 4.340 0.000 0.000 0.202 1166 R C 0.574 176.740 176.300 -0.223 0.000 1.029 1166 R CA 1.019 56.919 56.100 -0.333 0.000 1.018 1166 R CB -0.508 29.425 30.300 -0.610 0.000 0.888 1166 R HN 0.324 nan 8.270 nan 0.000 0.471 1167 F N 1.042 121.055 119.950 0.104 0.000 2.695 1167 F HA 0.385 4.912 4.527 -0.000 0.000 0.303 1167 F C 0.642 176.548 175.800 0.178 0.000 1.091 1167 F CA -1.006 57.078 58.000 0.141 0.000 1.300 1167 F CB 0.344 39.397 39.000 0.089 0.000 1.071 1167 F HN -0.146 nan 8.300 nan 0.000 0.578 1168 I N 1.825 122.613 120.570 0.364 0.000 2.436 1168 I HA 0.012 4.183 4.170 0.000 0.000 0.289 1168 I C 0.324 176.652 176.117 0.352 0.000 1.083 1168 I CA -0.115 61.391 61.300 0.345 0.000 1.372 1168 I CB -0.043 38.180 38.000 0.372 0.000 1.408 1168 I HN 0.045 nan 8.210 nan 0.000 0.516 1169 N N 4.381 123.202 118.700 0.201 0.000 2.347 1169 N HA 0.102 4.842 4.740 0.000 0.000 0.253 1169 N C -0.225 175.141 175.510 -0.241 0.000 1.274 1169 N CA -0.371 52.701 53.050 0.037 0.000 0.941 1169 N CB 0.417 38.904 38.487 0.000 0.000 1.200 1169 N HN 0.542 nan 8.380 nan 0.000 0.514 1170 H N -0.479 118.088 119.070 -0.837 0.000 2.547 1170 H HA 0.249 4.805 4.556 0.000 0.000 0.362 1170 H C -0.664 174.484 175.328 -0.299 0.000 1.181 1170 H CA 0.254 55.703 56.048 -1.000 0.000 1.376 1170 H CB 0.597 29.526 29.762 -1.389 0.000 1.488 1170 H HN 0.408 nan 8.280 nan 0.000 0.583 1171 H N 2.048 120.375 119.070 -1.239 0.000 3.068 1171 H HA 0.180 4.736 4.556 0.000 0.000 0.342 1171 H C -0.509 174.428 175.328 -0.651 0.000 1.284 1171 H CA -0.560 55.114 56.048 -0.623 0.000 1.181 1171 H CB 1.327 30.912 29.762 -0.295 0.000 1.898 1171 H HN 0.786 nan 8.280 nan 0.000 0.540 1172 C N 1.190 120.366 119.300 -0.207 0.000 2.799 1172 C HA 0.195 4.656 4.460 0.000 0.000 0.267 1172 C C 0.976 176.057 174.990 0.151 0.000 1.257 1172 C CA 0.164 59.199 59.018 0.028 0.000 1.702 1172 C CB -0.379 27.375 27.740 0.024 0.000 1.934 1172 C HN 0.541 nan 8.230 nan 0.000 0.594 1173 E N 1.260 121.698 120.200 0.398 0.000 4.044 1173 E HA 0.134 4.484 4.350 0.000 0.000 0.216 1173 E C -2.480 174.134 176.600 0.024 0.000 1.104 1173 E CA -1.183 55.331 56.400 0.190 0.000 1.383 1173 E CB 0.604 30.408 29.700 0.174 0.000 1.195 1173 E HN 0.426 nan 8.360 nan 0.000 0.442 1174 P HA -0.084 nan 4.420 nan 0.000 0.264 1174 P C -0.091 177.171 177.300 -0.064 0.000 1.179 1174 P CA 0.308 63.369 63.100 -0.066 0.000 0.763 1174 P CB 0.594 32.309 31.700 0.025 0.000 0.806 1175 N N 2.073 120.712 118.700 -0.101 0.000 2.268 1175 N HA 0.141 4.881 4.740 0.000 0.000 0.204 1175 N C -0.046 175.467 175.510 0.006 0.000 1.124 1175 N CA 0.102 53.121 53.050 -0.051 0.000 0.838 1175 N CB -0.019 38.419 38.487 -0.082 0.000 0.994 1175 N HN 0.328 nan 8.380 nan 0.000 0.489 1176 L N -0.094 121.144 121.223 0.026 0.000 2.455 1176 L HA 0.590 4.931 4.340 0.000 0.000 0.264 1176 L C -1.303 175.655 176.870 0.146 0.000 0.968 1176 L CA -1.239 53.638 54.840 0.061 0.000 0.827 1176 L CB 2.685 44.694 42.059 -0.084 0.000 1.317 1176 L HN -0.114 nan 8.230 nan 0.000 0.407 1177 V N 4.553 124.620 119.914 0.256 0.000 2.656 1177 V HA 0.692 4.812 4.120 0.000 0.000 0.307 1177 V C -2.412 173.975 176.094 0.489 0.000 1.051 1177 V CA -1.987 60.505 62.300 0.319 0.000 0.893 1177 V CB 2.979 34.950 31.823 0.245 0.000 0.999 1177 V HN 0.541 nan 8.190 nan 0.000 0.426 1178 P HA 0.353 nan 4.420 nan 0.000 0.286 1178 P C -1.151 176.318 177.300 0.282 0.000 1.269 1178 P CA -0.121 63.270 63.100 0.484 0.000 0.787 1178 P CB 1.726 33.775 31.700 0.583 0.000 0.920 1179 V N 4.827 124.871 119.914 0.215 0.000 2.680 1179 V HA 0.395 4.515 4.120 0.000 0.000 0.309 1179 V C 0.815 176.923 176.094 0.023 0.000 1.052 1179 V CA -0.948 61.435 62.300 0.137 0.000 0.908 1179 V CB 2.086 34.002 31.823 0.154 0.000 1.001 1179 V HN 0.479 nan 8.190 nan 0.000 0.431 1180 R N 1.973 122.451 120.500 -0.036 0.000 2.441 1180 R HA 0.679 5.019 4.340 0.000 0.000 0.284 1180 R C -1.121 175.042 176.300 -0.227 0.000 1.070 1180 R CA -0.330 55.672 56.100 -0.163 0.000 1.047 1180 R CB 1.433 31.644 30.300 -0.148 0.000 1.016 1180 R HN 0.491 nan 8.270 nan 0.000 0.477 1181 V N 3.393 123.078 119.914 -0.383 0.000 2.876 1181 V HA 0.560 4.680 4.120 0.000 0.000 0.312 1181 V C -1.015 174.750 176.094 -0.548 0.000 1.085 1181 V CA -0.725 61.371 62.300 -0.340 0.000 0.945 1181 V CB 1.902 33.602 31.823 -0.205 0.000 1.017 1181 V HN 0.535 nan 8.190 nan 0.000 0.428 1182 F N 4.026 123.805 119.950 -0.285 0.000 2.608 1182 F HA 0.749 5.276 4.527 -0.000 0.000 0.309 1182 F C 0.190 175.967 175.800 -0.038 0.000 1.103 1182 F CA -0.553 57.320 58.000 -0.212 0.000 0.954 1182 F CB 2.212 40.949 39.000 -0.438 0.000 1.267 1182 F HN 0.607 nan 8.300 nan 0.000 0.444 1183 M N 1.018 120.792 119.600 0.290 0.000 1.465 1183 M HA 0.451 4.931 4.480 0.000 0.000 0.172 1183 M C 0.686 177.121 176.300 0.226 0.000 1.045 1183 M CA 0.795 56.243 55.300 0.246 0.000 0.720 1183 M CB -0.812 31.880 32.600 0.153 0.000 1.652 1183 M HN 0.286 nan 8.290 nan 0.000 0.631 1184 A N 0.837 123.741 122.820 0.140 0.000 3.289 1184 A HA 0.202 4.523 4.320 0.000 0.000 0.157 1184 A C 1.052 178.763 177.584 0.213 0.000 1.293 1184 A CA 1.544 53.611 52.037 0.049 0.000 0.896 1184 A CB -1.196 17.704 19.000 -0.168 0.000 0.998 1184 A HN 0.765 nan 8.150 nan 0.000 0.519 1185 H N -0.724 118.414 119.070 0.114 0.000 2.512 1185 H HA 0.261 4.817 4.556 -0.000 0.000 0.276 1185 H C -0.482 174.897 175.328 0.085 0.000 1.126 1185 H CA -0.505 55.585 56.048 0.071 0.000 1.060 1185 H CB 0.148 29.924 29.762 0.023 0.000 1.646 1185 H HN 0.534 nan 8.280 nan 0.000 0.571 1186 Q N 2.016 121.949 119.800 0.222 0.000 2.247 1186 Q HA 0.101 4.441 4.340 0.000 0.000 0.288 1186 Q C 0.381 176.533 176.000 0.253 0.000 1.079 1186 Q CA 0.247 56.178 55.803 0.213 0.000 0.932 1186 Q CB 0.430 29.307 28.738 0.232 0.000 1.133 1186 Q HN 0.605 nan 8.270 nan 0.000 0.377 1187 D N 1.192 121.701 120.400 0.182 0.000 2.423 1187 D HA 0.246 4.886 4.640 0.000 0.000 0.238 1187 D C 1.106 177.565 176.300 0.264 0.000 1.142 1187 D CA 0.248 54.343 54.000 0.158 0.000 0.884 1187 D CB 0.370 41.233 40.800 0.104 0.000 1.199 1187 D HN 0.608 nan 8.370 nan 0.000 0.438 1188 L N 0.238 121.578 121.223 0.194 0.000 2.622 1188 L HA 0.455 4.795 4.340 0.000 0.000 0.233 1188 L C 2.703 179.740 176.870 0.278 0.000 1.156 1188 L CA 1.955 56.945 54.840 0.250 0.000 0.866 1188 L CB -2.032 40.038 42.059 0.019 0.000 0.980 1188 L HN 0.976 nan 8.230 nan 0.000 0.448 1189 R N -1.487 119.122 120.500 0.182 0.000 2.480 1189 R HA 0.605 4.945 4.340 0.000 0.000 0.277 1189 R C 0.443 176.802 176.300 0.098 0.000 1.008 1189 R CA 0.820 56.994 56.100 0.123 0.000 1.090 1189 R CB -1.143 29.206 30.300 0.081 0.000 1.234 1189 R HN 1.996 nan 8.270 nan 0.000 0.549 1190 F N -0.025 119.990 119.950 0.109 0.000 3.553 1190 F HA 0.387 4.914 4.527 0.000 0.000 0.464 1190 F C -3.217 172.535 175.800 -0.080 0.000 0.841 1190 F CA -1.774 56.238 58.000 0.020 0.000 1.472 1190 F CB -0.105 38.908 39.000 0.023 0.000 2.917 1190 F HN 0.134 nan 8.300 nan 0.000 0.705 1191 P HA 0.415 nan 4.420 nan 0.000 0.276 1191 P C -0.377 176.659 177.300 -0.442 0.000 1.244 1191 P CA -0.222 62.445 63.100 -0.721 0.000 0.801 1191 P CB 1.563 32.379 31.700 -1.474 0.000 1.006 1192 R N 1.086 121.334 120.500 -0.421 0.000 2.594 1192 R HA 0.322 4.662 4.340 0.000 0.000 0.272 1192 R C 0.135 176.245 176.300 -0.317 0.000 1.074 1192 R CA -0.417 55.505 56.100 -0.298 0.000 1.105 1192 R CB 0.199 30.359 30.300 -0.233 0.000 1.008 1192 R HN 0.429 nan 8.270 nan 0.000 0.472 1193 I N 2.343 122.703 120.570 -0.349 0.000 2.330 1193 I HA 0.266 4.436 4.170 0.000 0.000 0.286 1193 I C 0.108 175.926 176.117 -0.499 0.000 1.025 1193 I CA -0.498 60.522 61.300 -0.466 0.000 1.197 1193 I CB 0.768 38.281 38.000 -0.813 0.000 1.358 1193 I HN 0.614 nan 8.210 nan 0.000 0.467 1194 A N 7.021 129.684 122.820 -0.261 0.000 2.304 1194 A HA 0.766 5.086 4.320 0.000 0.000 0.323 1194 A C -0.828 176.727 177.584 -0.049 0.000 1.195 1194 A CA -0.368 51.632 52.037 -0.063 0.000 0.826 1194 A CB 0.508 19.639 19.000 0.218 0.000 1.184 1194 A HN 0.383 nan 8.150 nan 0.000 0.496 1195 F N 1.174 121.089 119.950 -0.059 0.000 2.385 1195 F HA 0.649 5.176 4.527 0.000 0.000 0.336 1195 F C -0.197 175.460 175.800 -0.237 0.000 1.100 1195 F CA -0.546 57.406 58.000 -0.080 0.000 1.116 1195 F CB 0.968 39.865 39.000 -0.172 0.000 1.166 1195 F HN 0.439 nan 8.300 nan 0.000 0.511 1196 F N 0.121 120.224 119.950 0.256 0.000 2.563 1196 F HA 0.392 4.919 4.527 0.000 0.000 0.316 1196 F C -0.019 175.847 175.800 0.110 0.000 1.076 1196 F CA -1.157 56.943 58.000 0.167 0.000 0.921 1196 F CB 1.928 41.030 39.000 0.170 0.000 1.209 1196 F HN 0.379 nan 8.300 nan 0.000 0.462 1197 S N -0.647 115.184 115.700 0.219 0.000 2.533 1197 S HA 0.129 4.599 4.470 0.000 0.000 0.282 1197 S C 0.763 175.452 174.600 0.149 0.000 1.304 1197 S CA 0.016 58.294 58.200 0.130 0.000 1.063 1197 S CB 0.898 64.150 63.200 0.087 0.000 0.881 1197 S HN 0.840 nan 8.310 nan 0.000 0.493 1198 T N -0.047 114.569 114.554 0.104 0.000 3.107 1198 T HA 0.274 4.624 4.350 0.000 0.000 0.249 1198 T C 0.523 175.259 174.700 0.059 0.000 1.096 1198 T CA -0.293 61.861 62.100 0.090 0.000 1.012 1198 T CB -0.543 68.371 68.868 0.077 0.000 0.977 1198 T HN 0.967 nan 8.240 nan 0.000 0.527 1199 R N -1.161 119.368 120.500 0.048 0.000 3.304 1199 R HA 0.560 4.900 4.340 0.000 0.000 0.262 1199 R C -1.849 174.467 176.300 0.028 0.000 0.972 1199 R CA -1.130 54.989 56.100 0.032 0.000 0.829 1199 R CB 0.056 30.366 30.300 0.015 0.000 1.583 1199 R HN 0.090 nan 8.270 nan 0.000 0.422 1200 L N 1.525 122.758 121.223 0.017 0.000 2.349 1200 L HA 0.510 4.850 4.340 0.000 0.000 0.275 1200 L C -0.756 176.115 176.870 0.001 0.000 1.115 1200 L CA -0.177 54.671 54.840 0.013 0.000 0.820 1200 L CB 0.911 42.976 42.059 0.010 0.000 1.135 1200 L HN 0.448 nan 8.230 nan 0.000 0.445 1201 I N 4.758 125.327 120.570 -0.001 0.000 2.355 1201 I HA 0.302 4.472 4.170 0.000 0.000 0.288 1201 I C -0.122 175.986 176.117 -0.015 0.000 0.999 1201 I CA -0.568 60.723 61.300 -0.014 0.000 1.163 1201 I CB 1.301 39.291 38.000 -0.016 0.000 1.316 1201 I HN 0.619 nan 8.210 nan 0.000 0.454 1202 E N 4.239 124.427 120.200 -0.020 0.000 2.343 1202 E HA 0.432 4.783 4.350 0.000 0.000 0.269 1202 E C -0.020 176.563 176.600 -0.028 0.000 1.047 1202 E CA -0.664 55.724 56.400 -0.020 0.000 0.874 1202 E CB 1.470 31.158 29.700 -0.020 0.000 1.033 1202 E HN 0.699 nan 8.360 nan 0.000 0.409 1203 A N 1.725 124.529 122.820 -0.026 0.000 2.548 1203 A HA 0.340 4.660 4.320 0.000 0.000 0.247 1203 A C 1.184 178.738 177.584 -0.049 0.000 1.067 1203 A CA 0.931 52.947 52.037 -0.034 0.000 0.757 1203 A CB -0.516 18.468 19.000 -0.027 0.000 0.996 1203 A HN 0.836 nan 8.150 nan 0.000 0.504 1204 G N 1.339 110.097 108.800 -0.071 0.000 2.232 1204 G HA2 -0.208 3.752 3.960 0.000 0.000 0.226 1204 G HA3 -0.208 3.752 3.960 0.000 0.000 0.226 1204 G C 0.243 175.067 174.900 -0.125 0.000 0.996 1204 G CA 0.321 45.357 45.100 -0.107 0.000 0.626 1204 G HN 1.052 nan 8.290 nan 0.000 0.509 1205 E N 1.091 121.242 120.200 -0.081 0.000 2.373 1205 E HA 0.421 4.771 4.350 0.000 0.000 0.267 1205 E C 0.535 177.104 176.600 -0.053 0.000 1.032 1205 E CA -0.334 56.028 56.400 -0.062 0.000 0.889 1205 E CB 0.360 30.032 29.700 -0.045 0.000 0.984 1205 E HN 0.456 nan 8.360 nan 0.000 0.425 1206 Q N 3.714 123.508 119.800 -0.010 0.000 2.340 1206 Q HA 0.210 4.550 4.340 0.000 0.000 0.249 1206 Q C -0.756 175.276 176.000 0.054 0.000 0.957 1206 Q CA -0.455 55.398 55.803 0.084 0.000 0.882 1206 Q CB 0.731 29.600 28.738 0.218 0.000 1.235 1206 Q HN 0.551 nan 8.270 nan 0.000 0.439 1207 L N 1.924 123.199 121.223 0.086 0.000 2.399 1207 L HA 0.707 5.048 4.340 0.000 0.000 0.266 1207 L C 0.430 177.329 176.870 0.049 0.000 1.114 1207 L CA -0.407 54.458 54.840 0.042 0.000 0.804 1207 L CB 1.389 43.479 42.059 0.053 0.000 1.146 1207 L HN 0.824 nan 8.230 nan 0.000 0.451 1208 G N 1.497 110.298 108.800 0.001 0.000 2.703 1208 G HA2 0.608 4.568 3.960 0.000 0.000 0.294 1208 G HA3 0.608 4.568 3.960 0.000 0.000 0.294 1208 G C -1.721 173.194 174.900 0.025 0.000 1.451 1208 G CA -0.441 44.661 45.100 0.003 0.000 0.869 1208 G HN 0.502 nan 8.290 nan 0.000 0.516 1209 F N -0.369 119.509 119.950 -0.120 0.000 2.643 1209 F HA 0.770 5.297 4.527 0.000 0.000 0.314 1209 F C -1.224 174.588 175.800 0.020 0.000 1.096 1209 F CA -1.483 56.458 58.000 -0.100 0.000 0.953 1209 F CB 2.018 40.839 39.000 -0.298 0.000 1.345 1209 F HN 0.367 nan 8.300 nan 0.000 0.468 1210 D N 1.701 122.201 120.400 0.166 0.000 2.374 1210 D HA 0.109 4.749 4.640 0.000 0.000 0.240 1210 D C 0.655 177.148 176.300 0.322 0.000 1.229 1210 D CA 0.090 54.188 54.000 0.164 0.000 0.895 1210 D CB 0.135 41.085 40.800 0.250 0.000 1.046 1210 D HN 0.536 nan 8.370 nan 0.000 0.498 1211 Y N 2.968 123.267 120.300 -0.002 0.000 2.298 1211 Y HA -0.023 4.528 4.550 0.000 0.000 0.287 1211 Y C 1.898 177.750 175.900 -0.079 0.000 1.164 1211 Y CA 1.126 59.060 58.100 -0.277 0.000 1.229 1211 Y CB -0.649 37.303 38.460 -0.846 0.000 0.977 1211 Y HN 0.655 nan 8.280 nan 0.000 0.538 1212 G N -0.676 108.299 108.800 0.292 0.000 2.661 1212 G HA2 -0.176 3.785 3.960 0.000 0.000 0.685 1212 G HA3 -0.176 3.785 3.960 0.000 0.000 0.685 1212 G C 0.198 175.301 174.900 0.339 0.000 1.298 1212 G CA -0.176 45.069 45.100 0.242 0.000 0.855 1212 G HN 0.083 nan 8.290 nan 0.000 0.560 1213 E N 0.359 120.718 120.200 0.265 0.000 2.033 1213 E HA 0.110 4.460 4.350 0.000 0.000 0.189 1213 E C 3.184 179.899 176.600 0.192 0.000 0.979 1213 E CA 2.702 59.269 56.400 0.279 0.000 0.802 1213 E CB -0.605 29.207 29.700 0.187 0.000 0.763 1213 E HN 1.035 nan 8.360 nan 0.000 0.449 1214 R N 0.751 121.315 120.500 0.106 0.000 2.134 1214 R HA -0.239 4.101 4.340 0.000 0.000 0.248 1214 R C 2.264 178.566 176.300 0.004 0.000 1.143 1214 R CA 2.090 58.215 56.100 0.041 0.000 0.957 1214 R CB -2.060 28.248 30.300 0.014 0.000 0.867 1214 R HN 0.328 nan 8.270 nan 0.000 0.441 1215 F N -0.502 119.376 119.950 -0.119 0.000 2.043 1215 F HA -0.196 4.331 4.527 0.000 0.000 0.297 1215 F C 2.228 177.833 175.800 -0.326 0.000 1.121 1215 F CA 2.230 60.071 58.000 -0.265 0.000 1.199 1215 F CB -0.475 38.291 39.000 -0.389 0.000 0.968 1215 F HN 0.411 nan 8.300 nan 0.000 0.478 1216 W N 0.569 121.815 121.300 -0.091 0.000 2.379 1216 W HA -0.124 4.536 4.660 0.000 0.000 0.307 1216 W C 2.377 178.764 176.519 -0.221 0.000 1.200 1216 W CA 1.222 58.426 57.345 -0.235 0.000 1.297 1216 W CB -0.933 28.448 29.460 -0.131 0.000 1.140 1216 W HN 0.103 nan 8.180 nan 0.000 0.507 1217 D N 0.375 120.839 120.400 0.107 0.000 2.315 1217 D HA -0.198 4.442 4.640 0.000 0.000 0.211 1217 D C 1.536 177.790 176.300 -0.076 0.000 0.977 1217 D CA 1.411 55.428 54.000 0.028 0.000 0.894 1217 D CB -0.221 40.600 40.800 0.036 0.000 0.910 1217 D HN 0.194 nan 8.370 nan 0.000 0.490 1218 I N -1.801 118.656 120.570 -0.189 0.000 4.035 1218 I HA 0.169 4.339 4.170 0.000 0.000 0.321 1218 I C 2.235 178.131 176.117 -0.368 0.000 1.289 1218 I CA 0.546 61.695 61.300 -0.251 0.000 1.236 1218 I CB 0.369 38.212 38.000 -0.261 0.000 1.076 1218 I HN 0.035 nan 8.210 nan 0.000 0.418 1219 K N 0.667 120.734 120.400 -0.555 0.000 2.450 1219 K HA 0.369 4.689 4.320 0.000 0.000 0.206 1219 K C 1.688 177.913 176.600 -0.626 0.000 1.148 1219 K CA 0.567 56.438 56.287 -0.693 0.000 1.014 1219 K CB -0.466 31.328 32.500 -1.176 0.000 0.966 1219 K HN 0.293 nan 8.250 nan 0.000 0.566 1220 G N 1.188 109.824 108.800 -0.273 0.000 2.679 1220 G HA2 -0.099 3.861 3.960 0.000 0.000 0.212 1220 G HA3 -0.099 3.861 3.960 0.000 0.000 0.212 1220 G C 1.257 176.078 174.900 -0.132 0.000 1.137 1220 G CA 0.587 45.641 45.100 -0.077 0.000 0.787 1220 G HN 0.527 nan 8.290 nan 0.000 0.534 1221 K N -0.111 120.195 120.400 -0.156 0.000 2.500 1221 K HA 0.411 4.731 4.320 0.000 0.000 0.206 1221 K C 0.836 177.378 176.600 -0.097 0.000 1.034 1221 K CA -0.099 56.130 56.287 -0.098 0.000 1.179 1221 K CB 0.251 32.703 32.500 -0.079 0.000 0.884 1221 K HN 0.280 nan 8.250 nan 0.000 0.493 1222 L N -0.694 120.434 121.223 -0.159 0.000 3.154 1222 L HA 0.314 4.654 4.340 0.000 0.000 0.280 1222 L C -0.303 176.632 176.870 0.109 0.000 1.134 1222 L CA -0.355 54.454 54.840 -0.053 0.000 1.037 1222 L CB 0.471 42.493 42.059 -0.063 0.000 1.571 1222 L HN 0.066 nan 8.230 nan 0.000 0.576 1223 F N -3.188 116.799 119.950 0.061 0.000 2.878 1223 F HA 0.577 5.105 4.527 0.000 0.000 0.322 1223 F C -0.991 174.894 175.800 0.141 0.000 1.154 1223 F CA -1.194 56.855 58.000 0.082 0.000 0.896 1223 F CB 0.552 39.596 39.000 0.073 0.000 1.313 1223 F HN -0.362 nan 8.300 nan 0.000 0.451 1224 S N 0.322 116.303 115.700 0.468 0.000 2.654 1224 S HA 0.477 4.947 4.470 0.000 0.000 0.283 1224 S C -0.722 174.130 174.600 0.420 0.000 1.180 1224 S CA -0.545 57.833 58.200 0.298 0.000 1.021 1224 S CB 1.505 64.783 63.200 0.130 0.000 1.018 1224 S HN 0.988 nan 8.310 nan 0.000 0.532 1225 C N 3.465 122.858 119.300 0.156 0.000 2.629 1225 C HA 0.337 4.797 4.460 0.000 0.000 0.410 1225 C C 1.406 176.452 174.990 0.093 0.000 1.339 1225 C CA -0.370 58.735 59.018 0.145 0.000 1.810 1225 C CB -0.716 26.883 27.740 -0.235 0.000 2.549 1225 C HN 0.828 nan 8.230 nan 0.000 0.589 1226 R N 3.742 124.307 120.500 0.108 0.000 2.334 1226 R HA 0.038 4.378 4.340 0.000 0.000 0.216 1226 R C 2.052 178.337 176.300 -0.025 0.000 0.905 1226 R CA 0.927 57.042 56.100 0.025 0.000 1.064 1226 R CB -1.016 29.288 30.300 0.008 0.000 1.046 1226 R HN 1.035 nan 8.270 nan 0.000 0.508 1227 C N -0.314 118.943 119.300 -0.072 0.000 2.396 1227 C HA -0.048 4.413 4.460 0.000 0.000 0.277 1227 C C 1.782 176.657 174.990 -0.191 0.000 1.231 1227 C CA 0.891 59.767 59.018 -0.238 0.000 1.775 1227 C CB -1.108 26.252 27.740 -0.634 0.000 2.036 1227 C HN 0.668 nan 8.230 nan 0.000 0.484 1228 G N 0.313 109.031 108.800 -0.137 0.000 2.143 1228 G HA2 -0.227 3.733 3.960 0.000 0.000 0.248 1228 G HA3 -0.227 3.733 3.960 0.000 0.000 0.248 1228 G C 0.241 175.102 174.900 -0.065 0.000 0.991 1228 G CA 0.792 45.848 45.100 -0.073 0.000 0.689 1228 G HN 1.278 nan 8.290 nan 0.000 0.522 1229 S N 0.282 115.904 115.700 -0.131 0.000 2.564 1229 S HA 0.488 4.958 4.470 0.000 0.000 0.278 1229 S C -0.279 174.307 174.600 -0.023 0.000 1.333 1229 S CA -0.438 57.741 58.200 -0.035 0.000 1.048 1229 S CB 1.028 64.213 63.200 -0.024 0.000 0.900 1229 S HN 0.065 nan 8.310 nan 0.000 0.505 1230 P HA 0.028 nan 4.420 nan 0.000 0.236 1230 P C -0.077 177.215 177.300 -0.012 0.000 1.172 1230 P CA 1.009 64.106 63.100 -0.004 0.000 0.759 1230 P CB 0.048 31.752 31.700 0.007 0.000 0.843 1231 K N -2.083 118.311 120.400 -0.011 0.000 2.564 1231 K HA 0.138 4.458 4.320 0.000 0.000 0.205 1231 K C 0.117 176.692 176.600 -0.041 0.000 1.053 1231 K CA -0.401 55.876 56.287 -0.018 0.000 1.072 1231 K CB -0.049 32.455 32.500 0.006 0.000 0.822 1231 K HN 0.087 nan 8.250 nan 0.000 0.497 1232 C N 1.297 120.559 119.300 -0.063 0.000 2.674 1232 C HA 0.014 4.474 4.460 0.000 0.000 0.405 1232 C C 1.271 176.182 174.990 -0.131 0.000 1.285 1232 C CA 0.526 59.490 59.018 -0.090 0.000 1.845 1232 C CB -0.177 27.503 27.740 -0.100 0.000 2.689 1232 C HN 0.595 nan 8.230 nan 0.000 0.643 1233 R N 0.981 121.366 120.500 -0.192 0.000 2.549 1233 R HA 0.172 4.512 4.340 0.000 0.000 0.361 1233 R C -0.232 175.564 176.300 -0.841 0.000 0.969 1233 R CA 0.058 55.892 56.100 -0.443 0.000 1.158 1233 R CB 0.148 30.167 30.300 -0.469 0.000 1.456 1233 R HN 0.870 nan 8.270 nan 0.000 0.540 1234 H N -1.099 117.710 119.070 -0.435 0.000 2.985 1234 H HA 0.141 4.697 4.556 0.000 0.000 0.246 1234 H C 0.146 175.238 175.328 -0.393 0.000 1.181 1234 H CA -0.454 55.239 56.048 -0.591 0.000 0.972 1234 H CB 0.563 29.504 29.762 -1.369 0.000 2.016 1234 H HN 0.036 nan 8.280 nan 0.000 0.672 1235 S N 0.000 115.604 115.700 -0.161 0.000 2.498 1235 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1235 S CA 0.000 58.149 58.200 -0.086 0.000 1.107 1235 S CB 0.000 63.156 63.200 -0.074 0.000 0.593 1235 S HN 0.000 nan 8.310 nan 0.000 0.517