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 3m5m_1_A DATA FIRST_RESID 983 DATA SEQUENCE MASMKKKGSV VIVGRINLSG DTAYAQQTRG EEGCQETSQT GRDKNQVEGE DATA SEQUENCE VQIVSTATQT FLATSINGVL WTVYHGAGTR TIASPKGPVT QMYTNVDKDL DATA SEQUENCE VGWQAPQGSR SLTPCTCGSS DLYLVTRHAD VIPVRRRGDS RGSLLSPRPI DATA SEQUENCE SYLKGSAGGP LLCPAGHAVG IFRAAVSTRG VAKAVDFIPV ESLETTM 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 983 M HA 0.000 nan 4.480 nan 0.000 0.227 983 M C 0.000 176.303 176.300 0.005 0.000 1.140 983 M CA 0.000 55.303 55.300 0.006 0.000 0.988 983 M CB 0.000 32.603 32.600 0.006 0.000 1.302 984 A N 1.183 124.005 122.820 0.004 0.000 1.948 984 A HA -0.117 4.204 4.320 0.001 0.000 0.220 984 A C 2.024 179.611 177.584 0.004 0.000 1.177 984 A CA 2.801 54.840 52.037 0.004 0.000 0.636 984 A CB -0.748 18.254 19.000 0.003 0.000 0.815 984 A HN 0.643 nan 8.150 nan 0.000 0.449 985 S N -1.835 113.868 115.700 0.005 0.000 2.575 985 S HA 0.327 4.797 4.470 0.001 0.000 0.215 985 S C 0.686 175.290 174.600 0.006 0.000 0.966 985 S CA -0.259 57.944 58.200 0.005 0.000 0.911 985 S CB -0.318 62.885 63.200 0.005 0.000 0.780 985 S HN 0.440 nan 8.310 nan 0.000 0.514 986 M N 2.723 122.327 119.600 0.007 0.000 2.217 986 M HA 0.314 4.795 4.480 0.001 0.000 0.352 986 M C 0.408 176.713 176.300 0.008 0.000 1.376 986 M CA 0.193 55.497 55.300 0.008 0.000 1.107 986 M CB 0.764 33.369 32.600 0.008 0.000 1.723 986 M HN 0.461 nan 8.290 nan 0.000 0.461 987 K N 4.759 125.164 120.400 0.009 0.000 2.139 987 K HA 0.487 4.808 4.320 0.001 0.000 0.243 987 K C -0.358 176.249 176.600 0.011 0.000 0.983 987 K CA -0.779 55.513 56.287 0.009 0.000 0.890 987 K CB 0.821 33.327 32.500 0.009 0.000 1.090 987 K HN 0.759 nan 8.250 nan 0.000 0.445 988 K N 1.055 121.461 120.400 0.011 0.000 2.098 988 K HA 0.339 4.659 4.320 0.001 0.000 0.261 988 K C -0.418 176.191 176.600 0.015 0.000 0.987 988 K CA -0.841 55.454 56.287 0.014 0.000 0.916 988 K CB 1.065 33.573 32.500 0.013 0.000 1.039 988 K HN 0.313 nan 8.250 nan 0.000 0.455 989 K N 1.285 121.697 120.400 0.020 0.000 2.436 989 K HA 0.056 4.377 4.320 0.001 0.000 0.275 989 K C 0.545 177.157 176.600 0.020 0.000 0.999 989 K CA 0.333 56.634 56.287 0.022 0.000 0.980 989 K CB 0.836 33.353 32.500 0.028 0.000 0.919 989 K HN 0.909 nan 8.250 nan 0.000 0.484 990 G N 1.437 110.247 108.800 0.017 0.000 2.667 990 G HA2 0.045 4.005 3.960 0.001 0.000 0.250 990 G HA3 0.045 4.005 3.960 0.001 0.000 0.250 990 G C -0.262 174.645 174.900 0.011 0.000 1.212 990 G CA -0.441 44.664 45.100 0.008 0.000 0.874 990 G HN 0.504 nan 8.290 nan 0.000 0.561 991 S N -1.305 114.388 115.700 -0.011 0.000 2.601 991 S HA 0.273 4.744 4.470 0.001 0.000 0.271 991 S C 0.562 175.136 174.600 -0.044 0.000 1.305 991 S CA -0.651 57.531 58.200 -0.029 0.000 1.022 991 S CB 1.512 64.666 63.200 -0.077 0.000 0.940 991 S HN 0.467 nan 8.310 nan 0.000 0.525 992 V N 2.780 122.660 119.914 -0.057 0.000 2.673 992 V HA 0.115 4.236 4.120 0.001 0.000 0.303 992 V C 0.009 175.974 176.094 -0.216 0.000 1.046 992 V CA 0.098 62.329 62.300 -0.116 0.000 1.126 992 V CB 0.600 32.342 31.823 -0.135 0.000 0.934 992 V HN 0.604 nan 8.190 nan 0.000 0.487 993 V N 6.178 125.977 119.914 -0.192 0.000 2.487 993 V HA 0.429 4.550 4.120 0.001 0.000 0.298 993 V C -0.009 175.961 176.094 -0.207 0.000 1.028 993 V CA -0.618 61.570 62.300 -0.186 0.000 0.860 993 V CB 1.864 33.613 31.823 -0.123 0.000 0.991 993 V HN 0.648 nan 8.190 nan 0.000 0.427 994 I N 5.085 125.532 120.570 -0.206 0.000 2.517 994 I HA 0.087 4.258 4.170 0.001 0.000 0.285 994 I C 0.971 177.009 176.117 -0.132 0.000 1.106 994 I CA 0.305 61.498 61.300 -0.178 0.000 1.402 994 I CB 1.189 39.092 38.000 -0.162 0.000 1.399 994 I HN 0.646 nan 8.210 nan 0.000 0.535 995 V N 2.616 122.456 119.914 -0.123 0.000 3.432 995 V HA 0.685 4.806 4.120 0.001 0.000 0.298 995 V C 0.515 176.567 176.094 -0.070 0.000 1.464 995 V CA 0.418 62.664 62.300 -0.089 0.000 1.046 995 V CB -0.092 31.681 31.823 -0.084 0.000 0.887 995 V HN 0.878 nan 8.190 nan 0.000 0.441 996 G N 0.791 109.545 108.800 -0.076 0.000 2.341 996 G HA2 0.625 4.586 3.960 0.001 0.000 0.299 996 G HA3 0.625 4.586 3.960 0.001 0.000 0.299 996 G C -1.413 173.448 174.900 -0.065 0.000 1.274 996 G CA -0.488 44.578 45.100 -0.057 0.000 0.853 996 G HN 0.728 nan 8.290 nan 0.000 0.493 997 R N -1.474 118.990 120.500 -0.058 0.000 2.734 997 R HA 0.672 5.013 4.340 0.001 0.000 0.271 997 R C -1.548 174.699 176.300 -0.089 0.000 1.021 997 R CA -1.015 55.042 56.100 -0.071 0.000 0.893 997 R CB 1.311 31.569 30.300 -0.071 0.000 1.244 997 R HN 0.397 nan 8.270 nan 0.000 0.464 998 I N 2.346 122.858 120.570 -0.097 0.000 2.307 998 I HA 0.210 4.380 4.170 0.001 0.000 0.289 998 I C -0.282 175.717 176.117 -0.197 0.000 1.021 998 I CA -0.774 60.449 61.300 -0.128 0.000 1.224 998 I CB 0.748 38.703 38.000 -0.076 0.000 1.376 998 I HN 0.603 nan 8.210 nan 0.000 0.470 999 N N 7.243 125.716 118.700 -0.378 0.000 2.411 999 N HA 0.244 4.985 4.740 0.001 0.000 0.259 999 N C 0.032 175.316 175.510 -0.378 0.000 1.103 999 N CA -0.067 52.695 53.050 -0.479 0.000 0.954 999 N CB 1.184 39.087 38.487 -0.972 0.000 1.085 999 N HN 0.534 nan 8.380 nan 0.000 0.485 1000 L N 2.166 123.268 121.223 -0.202 0.000 3.014 1000 L HA 0.209 4.550 4.340 0.001 0.000 0.263 1000 L C 1.433 178.255 176.870 -0.082 0.000 1.207 1000 L CA -0.080 54.688 54.840 -0.122 0.000 1.017 1000 L CB 0.365 42.374 42.059 -0.084 0.000 1.360 1000 L HN 0.375 nan 8.230 nan 0.000 0.560 1001 S N -0.017 115.634 115.700 -0.081 0.000 2.470 1001 S HA 0.120 4.591 4.470 0.001 0.000 0.225 1001 S C 1.200 175.798 174.600 -0.002 0.000 1.006 1001 S CA 0.699 58.879 58.200 -0.034 0.000 0.934 1001 S CB 0.235 63.420 63.200 -0.025 0.000 0.778 1001 S HN 0.560 nan 8.310 nan 0.000 0.517 1002 G N 0.426 109.241 108.800 0.026 0.000 2.702 1002 G HA2 0.449 4.410 3.960 0.001 0.000 0.254 1002 G HA3 0.449 4.410 3.960 0.001 0.000 0.254 1002 G C 0.404 175.318 174.900 0.024 0.000 1.380 1002 G CA 0.237 45.366 45.100 0.049 0.000 1.042 1002 G HN 0.215 nan 8.290 nan 0.000 0.557 1003 D N -1.949 118.467 120.400 0.027 0.000 2.355 1003 D HA 0.307 4.948 4.640 0.001 0.000 0.218 1003 D C 1.020 177.334 176.300 0.024 0.000 1.004 1003 D CA 1.259 55.264 54.000 0.008 0.000 0.880 1003 D CB 0.107 40.909 40.800 0.003 0.000 0.911 1003 D HN 0.486 nan 8.370 nan 0.000 0.528 1004 T N -0.792 113.805 114.554 0.071 0.000 2.848 1004 T HA 0.580 4.931 4.350 0.001 0.000 0.285 1004 T C -0.776 174.030 174.700 0.176 0.000 0.995 1004 T CA 0.089 62.254 62.100 0.108 0.000 0.970 1004 T CB 1.215 70.148 68.868 0.108 0.000 0.976 1004 T HN 0.477 nan 8.240 nan 0.000 0.441 1005 A N 4.255 127.143 122.820 0.112 0.000 2.327 1005 A HA 0.792 5.113 4.320 0.001 0.000 0.283 1005 A C -1.045 176.644 177.584 0.175 0.000 1.127 1005 A CA -0.461 51.609 52.037 0.054 0.000 0.810 1005 A CB 0.030 19.034 19.000 0.006 0.000 1.066 1005 A HN 1.065 nan 8.150 nan 0.000 0.492 1006 Y N -1.636 118.665 120.300 0.001 0.000 2.558 1006 Y HA 0.667 5.217 4.550 0.001 0.000 0.333 1006 Y C -0.267 175.635 175.900 0.003 0.000 1.125 1006 Y CA -0.934 57.169 58.100 0.005 0.000 1.039 1006 Y CB 0.730 39.190 38.460 0.001 0.000 1.331 1006 Y HN 0.885 nan 8.280 nan 0.000 0.456 1007 A N 2.944 125.844 122.820 0.132 0.000 2.331 1007 A HA 0.647 4.968 4.320 0.001 0.000 0.283 1007 A C -0.723 176.934 177.584 0.122 0.000 1.142 1007 A CA -0.630 51.441 52.037 0.057 0.000 0.812 1007 A CB 0.623 19.653 19.000 0.050 0.000 1.074 1007 A HN 0.775 nan 8.150 nan 0.000 0.497 1008 Q N 0.947 120.780 119.800 0.055 0.000 2.340 1008 Q HA 0.381 4.722 4.340 0.001 0.000 0.268 1008 Q C -0.846 175.167 176.000 0.023 0.000 1.031 1008 Q CA -0.450 55.398 55.803 0.074 0.000 0.804 1008 Q CB 2.402 31.186 28.738 0.077 0.000 1.286 1008 Q HN 0.834 nan 8.270 nan 0.000 0.448 1009 Q N 0.929 120.743 119.800 0.023 0.000 2.256 1009 Q HA 0.234 4.575 4.340 0.001 0.000 0.254 1009 Q C 0.156 176.153 176.000 -0.004 0.000 0.916 1009 Q CA 0.054 55.857 55.803 0.000 0.000 0.932 1009 Q CB 0.943 29.683 28.738 0.002 0.000 1.207 1009 Q HN 0.849 nan 8.270 nan 0.000 0.426 1010 T N 0.706 115.248 114.554 -0.020 0.000 2.985 1010 T HA 0.334 4.685 4.350 0.001 0.000 0.254 1010 T C 0.392 175.075 174.700 -0.028 0.000 1.021 1010 T CA -0.286 61.800 62.100 -0.022 0.000 0.957 1010 T CB 0.416 69.266 68.868 -0.031 0.000 1.047 1010 T HN 0.490 nan 8.240 nan 0.000 0.511 1011 R N 0.200 120.681 120.500 -0.031 0.000 2.522 1011 R HA 0.579 4.919 4.340 0.001 0.000 0.283 1011 R C -0.029 176.255 176.300 -0.027 0.000 1.074 1011 R CA -0.579 55.502 56.100 -0.032 0.000 0.925 1011 R CB 1.816 32.089 30.300 -0.046 0.000 1.205 1011 R HN 0.324 nan 8.270 nan 0.000 0.436 1012 G N 0.892 109.679 108.800 -0.020 0.000 2.563 1012 G HA2 0.047 4.008 3.960 0.001 0.000 0.283 1012 G HA3 0.047 4.008 3.960 0.001 0.000 0.283 1012 G C 0.652 175.542 174.900 -0.017 0.000 1.309 1012 G CA -0.278 44.813 45.100 -0.015 0.000 1.022 1012 G HN 0.811 nan 8.290 nan 0.000 0.501 1013 E N -0.564 119.629 120.200 -0.011 0.000 2.106 1013 E HA -0.142 4.208 4.350 0.001 0.000 0.192 1013 E C 1.737 178.330 176.600 -0.012 0.000 0.984 1013 E CA 1.566 57.960 56.400 -0.010 0.000 0.806 1013 E CB -0.120 29.578 29.700 -0.003 0.000 0.750 1013 E HN 0.496 nan 8.360 nan 0.000 0.458 1014 E N 1.281 121.475 120.200 -0.011 0.000 2.047 1014 E HA -0.076 4.275 4.350 0.001 0.000 0.191 1014 E C 2.221 178.811 176.600 -0.016 0.000 0.987 1014 E CA 1.384 57.777 56.400 -0.011 0.000 0.799 1014 E CB -0.632 29.063 29.700 -0.009 0.000 0.752 1014 E HN 0.457 nan 8.360 nan 0.000 0.449 1015 G N 0.204 108.992 108.800 -0.019 0.000 2.422 1015 G HA2 -0.310 3.650 3.960 0.001 0.000 0.218 1015 G HA3 -0.310 3.650 3.960 0.001 0.000 0.218 1015 G C 1.826 176.707 174.900 -0.032 0.000 1.146 1015 G CA 0.909 45.993 45.100 -0.025 0.000 0.769 1015 G HN 0.441 nan 8.290 nan 0.000 0.547 1016 C N -0.286 118.995 119.300 -0.032 0.000 2.436 1016 C HA -0.079 4.381 4.460 0.001 0.000 0.277 1016 C C 2.744 177.713 174.990 -0.033 0.000 1.241 1016 C CA 1.789 60.783 59.018 -0.040 0.000 1.721 1016 C CB -0.671 27.047 27.740 -0.038 0.000 2.043 1016 C HN 0.527 nan 8.230 nan 0.000 0.472 1017 Q N 0.782 120.568 119.800 -0.023 0.000 2.030 1017 Q HA -0.230 4.111 4.340 0.001 0.000 0.204 1017 Q C 2.028 178.016 176.000 -0.020 0.000 0.986 1017 Q CA 2.279 58.072 55.803 -0.017 0.000 0.843 1017 Q CB -0.546 28.186 28.738 -0.010 0.000 0.904 1017 Q HN 0.775 nan 8.270 nan 0.000 0.420 1018 E N -0.635 119.553 120.200 -0.021 0.000 2.038 1018 E HA -0.155 4.195 4.350 0.001 0.000 0.195 1018 E C 2.022 178.605 176.600 -0.028 0.000 1.000 1018 E CA 1.894 58.281 56.400 -0.022 0.000 0.803 1018 E CB -0.101 29.587 29.700 -0.021 0.000 0.750 1018 E HN 0.402 nan 8.360 nan 0.000 0.448 1019 T N 0.173 114.705 114.554 -0.037 0.000 2.833 1019 T HA -0.149 4.202 4.350 0.001 0.000 0.269 1019 T C 1.997 176.665 174.700 -0.052 0.000 1.054 1019 T CA 1.244 63.315 62.100 -0.048 0.000 1.135 1019 T CB -0.190 68.642 68.868 -0.060 0.000 0.869 1019 T HN 0.056 nan 8.240 nan 0.000 0.466 1020 S N 0.471 116.144 115.700 -0.045 0.000 2.383 1020 S HA -0.140 4.331 4.470 0.001 0.000 0.227 1020 S C 2.160 176.743 174.600 -0.028 0.000 1.026 1020 S CA 1.335 59.511 58.200 -0.040 0.000 0.981 1020 S CB -0.207 62.976 63.200 -0.028 0.000 0.818 1020 S HN 0.389 nan 8.310 nan 0.000 0.472 1021 Q N 0.818 120.604 119.800 -0.023 0.000 2.049 1021 Q HA -0.043 4.298 4.340 0.001 0.000 0.198 1021 Q C 2.226 178.214 176.000 -0.019 0.000 0.971 1021 Q CA 2.411 58.205 55.803 -0.016 0.000 0.833 1021 Q CB -0.753 27.977 28.738 -0.012 0.000 0.896 1021 Q HN 0.712 nan 8.270 nan 0.000 0.434 1022 T N -4.048 110.491 114.554 -0.025 0.000 2.942 1022 T HA 0.166 4.517 4.350 0.001 0.000 0.265 1022 T C 1.538 176.219 174.700 -0.032 0.000 1.062 1022 T CA 0.853 62.938 62.100 -0.026 0.000 1.139 1022 T CB -0.336 68.516 68.868 -0.027 0.000 0.883 1022 T HN 0.543 nan 8.240 nan 0.000 0.468 1023 G N 1.215 109.989 108.800 -0.043 0.000 2.162 1023 G HA2 -0.104 3.856 3.960 0.001 0.000 0.260 1023 G HA3 -0.104 3.856 3.960 0.001 0.000 0.260 1023 G C 0.274 175.135 174.900 -0.065 0.000 0.976 1023 G CA 0.379 45.444 45.100 -0.058 0.000 0.655 1023 G HN 1.084 nan 8.290 nan 0.000 0.533 1024 R N 0.181 120.648 120.500 -0.056 0.000 2.215 1024 R HA 0.668 5.009 4.340 0.001 0.000 0.336 1024 R C -0.475 175.790 176.300 -0.059 0.000 0.996 1024 R CA 0.049 56.117 56.100 -0.054 0.000 0.847 1024 R CB 0.944 31.220 30.300 -0.040 0.000 1.127 1024 R HN 0.381 nan 8.270 nan 0.000 0.465 1025 D N 2.281 122.639 120.400 -0.070 0.000 2.453 1025 D HA 0.356 4.997 4.640 0.001 0.000 0.238 1025 D C 0.671 176.933 176.300 -0.062 0.000 1.088 1025 D CA -0.005 53.951 54.000 -0.073 0.000 0.854 1025 D CB 1.540 42.282 40.800 -0.097 0.000 1.076 1025 D HN 0.486 nan 8.370 nan 0.000 0.533 1026 K N 2.797 123.167 120.400 -0.050 0.000 2.417 1026 K HA 0.133 4.454 4.320 0.001 0.000 0.196 1026 K C 0.651 177.227 176.600 -0.040 0.000 1.023 1026 K CA -0.225 56.037 56.287 -0.042 0.000 1.122 1026 K CB -0.623 31.857 32.500 -0.034 0.000 0.850 1026 K HN 0.368 nan 8.250 nan 0.000 0.521 1027 N N 1.825 120.498 118.700 -0.046 0.000 2.518 1027 N HA 0.257 4.997 4.740 0.001 0.000 0.266 1027 N C 0.276 175.761 175.510 -0.043 0.000 1.196 1027 N CA 0.318 53.343 53.050 -0.042 0.000 0.947 1027 N CB 1.011 39.470 38.487 -0.047 0.000 1.098 1027 N HN 0.601 nan 8.380 nan 0.000 0.450 1028 Q N 0.765 120.544 119.800 -0.035 0.000 2.297 1028 Q HA 0.339 4.680 4.340 0.001 0.000 0.267 1028 Q C -0.148 175.830 176.000 -0.037 0.000 1.006 1028 Q CA -0.371 55.413 55.803 -0.032 0.000 0.896 1028 Q CB 0.077 28.801 28.738 -0.023 0.000 1.186 1028 Q HN 0.496 nan 8.270 nan 0.000 0.392 1029 V N 3.214 123.103 119.914 -0.041 0.000 2.481 1029 V HA 0.505 4.625 4.120 0.001 0.000 0.286 1029 V C 0.018 176.093 176.094 -0.032 0.000 1.042 1029 V CA -0.443 61.830 62.300 -0.044 0.000 0.928 1029 V CB 1.444 33.234 31.823 -0.056 0.000 0.986 1029 V HN 1.043 nan 8.190 nan 0.000 0.462 1030 E N 1.932 122.113 120.200 -0.031 0.000 2.393 1030 E HA 0.692 5.043 4.350 0.001 0.000 0.273 1030 E C 0.053 176.637 176.600 -0.027 0.000 0.918 1030 E CA -0.213 56.173 56.400 -0.024 0.000 0.773 1030 E CB 2.395 32.083 29.700 -0.020 0.000 1.275 1030 E HN 1.053 nan 8.360 nan 0.000 0.451 1031 G N 1.269 110.056 108.800 -0.020 0.000 2.725 1031 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 1031 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 1031 G C 0.021 174.917 174.900 -0.007 0.000 1.357 1031 G CA 0.127 45.214 45.100 -0.022 0.000 0.866 1031 G HN 0.573 nan 8.290 nan 0.000 0.548 1032 E N -1.488 118.710 120.200 -0.002 0.000 2.244 1032 E HA 0.346 4.697 4.350 0.001 0.000 0.196 1032 E C 0.912 177.533 176.600 0.034 0.000 0.939 1032 E CA 0.871 57.286 56.400 0.025 0.000 0.884 1032 E CB 0.639 30.357 29.700 0.030 0.000 0.850 1032 E HN 0.524 nan 8.360 nan 0.000 0.481 1033 V N 2.666 122.585 119.914 0.009 0.000 2.378 1033 V HA 0.287 4.408 4.120 0.001 0.000 0.288 1033 V C -0.524 175.561 176.094 -0.014 0.000 1.016 1033 V CA -0.827 61.482 62.300 0.015 0.000 0.840 1033 V CB 1.382 33.209 31.823 0.008 0.000 0.994 1033 V HN 0.061 nan 8.190 nan 0.000 0.431 1034 Q N 3.952 123.747 119.800 -0.010 0.000 2.266 1034 Q HA 0.620 4.961 4.340 0.001 0.000 0.261 1034 Q C -0.646 175.313 176.000 -0.068 0.000 0.985 1034 Q CA -0.603 55.171 55.803 -0.049 0.000 0.873 1034 Q CB 2.979 31.679 28.738 -0.063 0.000 1.306 1034 Q HN 0.644 nan 8.270 nan 0.000 0.447 1035 I N 1.972 122.484 120.570 -0.097 0.000 2.331 1035 I HA 0.331 4.502 4.170 0.001 0.000 0.292 1035 I C 0.209 176.205 176.117 -0.202 0.000 0.998 1035 I CA -0.936 60.286 61.300 -0.131 0.000 1.267 1035 I CB 1.185 39.125 38.000 -0.100 0.000 1.386 1035 I HN 0.272 nan 8.210 nan 0.000 0.476 1036 V N 2.282 121.989 119.914 -0.345 0.000 2.864 1036 V HA 0.804 4.925 4.120 0.001 0.000 0.314 1036 V C -0.436 175.342 176.094 -0.527 0.000 1.073 1036 V CA -0.454 61.574 62.300 -0.453 0.000 0.956 1036 V CB 1.875 33.361 31.823 -0.562 0.000 1.023 1036 V HN 0.715 nan 8.190 nan 0.000 0.435 1037 S N 1.312 116.809 115.700 -0.338 0.000 2.549 1037 S HA 0.846 5.316 4.470 0.001 0.000 0.280 1037 S C -0.214 174.347 174.600 -0.066 0.000 1.109 1037 S CA 0.197 58.290 58.200 -0.179 0.000 0.905 1037 S CB 2.020 65.165 63.200 -0.091 0.000 1.081 1037 S HN 1.641 nan 8.310 nan 0.000 0.477 1038 T N 0.589 115.185 114.554 0.070 0.000 2.844 1038 T HA 0.739 5.089 4.350 0.001 0.000 0.274 1038 T C 1.492 176.230 174.700 0.063 0.000 0.991 1038 T CA -0.114 62.039 62.100 0.088 0.000 0.983 1038 T CB 0.544 69.511 68.868 0.165 0.000 1.310 1038 T HN 0.819 nan 8.240 nan 0.000 0.596 1039 A N 0.317 123.169 122.820 0.053 0.000 2.019 1039 A HA 0.048 4.369 4.320 0.001 0.000 0.219 1039 A C 2.258 179.874 177.584 0.053 0.000 1.164 1039 A CA 2.116 54.178 52.037 0.041 0.000 0.644 1039 A CB -1.460 17.560 19.000 0.032 0.000 0.805 1039 A HN 1.057 nan 8.150 nan 0.000 0.449 1040 T N -4.306 110.291 114.554 0.073 0.000 2.969 1040 T HA 0.318 4.669 4.350 0.001 0.000 0.250 1040 T C 0.579 175.341 174.700 0.103 0.000 1.021 1040 T CA -0.089 62.055 62.100 0.074 0.000 1.003 1040 T CB 0.179 69.084 68.868 0.061 0.000 1.040 1040 T HN 0.443 nan 8.240 nan 0.000 0.492 1041 Q N 0.663 120.557 119.800 0.158 0.000 2.389 1041 Q HA 0.591 4.931 4.340 0.001 0.000 0.277 1041 Q C -1.541 174.636 176.000 0.294 0.000 1.082 1041 Q CA -0.698 55.247 55.803 0.237 0.000 0.810 1041 Q CB 2.611 31.509 28.738 0.266 0.000 1.374 1041 Q HN 0.091 nan 8.270 nan 0.000 0.422 1042 T N 2.519 117.236 114.554 0.270 0.000 2.812 1042 T HA 0.735 5.086 4.350 0.001 0.000 0.282 1042 T C -0.972 173.890 174.700 0.269 0.000 0.990 1042 T CA -0.443 61.748 62.100 0.152 0.000 0.960 1042 T CB 0.334 69.227 68.868 0.043 0.000 0.948 1042 T HN 0.508 nan 8.240 nan 0.000 0.438 1043 F N 0.724 120.686 119.950 0.020 0.000 3.129 1043 F HA 0.815 5.343 4.527 0.001 0.000 0.326 1043 F C -1.954 173.867 175.800 0.036 0.000 1.202 1043 F CA -1.681 56.340 58.000 0.035 0.000 0.929 1043 F CB 0.984 40.009 39.000 0.040 0.000 1.473 1043 F HN 0.278 nan 8.300 nan 0.000 0.512 1044 L N 1.225 122.569 121.223 0.202 0.000 2.322 1044 L HA 0.930 5.271 4.340 0.001 0.000 0.269 1044 L C -0.650 176.318 176.870 0.162 0.000 1.012 1044 L CA -1.252 53.648 54.840 0.099 0.000 0.815 1044 L CB 1.875 44.017 42.059 0.138 0.000 1.295 1044 L HN 0.946 nan 8.230 nan 0.000 0.438 1045 A N 0.412 123.300 122.820 0.114 0.000 2.486 1045 A HA 0.797 5.117 4.320 0.001 0.000 0.300 1045 A C -0.938 176.747 177.584 0.168 0.000 1.048 1045 A CA -0.409 51.745 52.037 0.196 0.000 0.696 1045 A CB 1.895 21.014 19.000 0.200 0.000 1.278 1045 A HN 0.569 nan 8.150 nan 0.000 0.405 1046 T N 1.382 116.077 114.554 0.235 0.000 2.841 1046 T HA 0.514 4.865 4.350 0.001 0.000 0.285 1046 T C -0.144 174.724 174.700 0.280 0.000 0.991 1046 T CA -0.295 61.934 62.100 0.215 0.000 0.966 1046 T CB 1.472 70.467 68.868 0.212 0.000 0.962 1046 T HN 0.834 nan 8.240 nan 0.000 0.438 1047 S N 3.490 119.308 115.700 0.197 0.000 2.489 1047 S HA 0.683 5.154 4.470 0.001 0.000 0.277 1047 S C -0.461 174.287 174.600 0.245 0.000 1.230 1047 S CA -0.579 57.738 58.200 0.195 0.000 1.053 1047 S CB -0.379 62.883 63.200 0.104 0.000 0.955 1047 S HN 0.559 nan 8.310 nan 0.000 0.488 1048 I N 4.237 125.027 120.570 0.368 0.000 2.607 1048 I HA 0.352 4.523 4.170 0.001 0.000 0.290 1048 I C -0.374 175.970 176.117 0.378 0.000 1.129 1048 I CA -0.924 60.578 61.300 0.338 0.000 1.042 1048 I CB 1.931 40.114 38.000 0.305 0.000 1.242 1048 I HN 0.597 nan 8.210 nan 0.000 0.421 1049 N N 4.333 123.169 118.700 0.226 0.000 2.721 1049 N HA -0.199 4.542 4.740 0.001 0.000 0.249 1049 N C 0.918 176.532 175.510 0.173 0.000 1.072 1049 N CA 1.479 54.645 53.050 0.194 0.000 0.710 1049 N CB -0.925 37.694 38.487 0.221 0.000 0.993 1049 N HN 1.233 nan 8.380 nan 0.000 0.547 1050 G N -2.809 106.068 108.800 0.128 0.000 2.155 1050 G HA2 -0.304 3.657 3.960 0.001 0.000 0.257 1050 G HA3 -0.304 3.657 3.960 0.001 0.000 0.257 1050 G C -0.034 174.881 174.900 0.025 0.000 0.983 1050 G CA 0.484 45.627 45.100 0.072 0.000 0.676 1050 G HN 0.530 nan 8.290 nan 0.000 0.528 1051 V N 0.500 120.408 119.914 -0.010 0.000 2.604 1051 V HA 0.685 4.805 4.120 0.001 0.000 0.305 1051 V C 0.080 175.954 176.094 -0.367 0.000 1.043 1051 V CA -0.984 61.143 62.300 -0.287 0.000 0.888 1051 V CB 1.893 33.329 31.823 -0.644 0.000 0.995 1051 V HN 0.375 nan 8.190 nan 0.000 0.429 1052 L N 5.087 126.166 121.223 -0.240 0.000 2.261 1052 L HA 0.516 4.856 4.340 0.001 0.000 0.289 1052 L C -0.982 175.867 176.870 -0.035 0.000 1.059 1052 L CA 0.092 54.924 54.840 -0.014 0.000 0.816 1052 L CB 0.241 42.385 42.059 0.143 0.000 1.191 1052 L HN 0.622 nan 8.230 nan 0.000 0.431 1053 W N 4.351 125.768 121.300 0.195 0.000 2.512 1053 W HA 0.725 5.385 4.660 0.001 0.000 0.335 1053 W C 0.553 177.171 176.519 0.164 0.000 1.088 1053 W CA -0.358 57.066 57.345 0.132 0.000 1.236 1053 W CB 1.757 31.272 29.460 0.092 0.000 1.307 1053 W HN 0.538 nan 8.180 nan 0.000 0.567 1054 T N 0.120 114.892 114.554 0.362 0.000 2.645 1054 T HA 0.503 4.853 4.350 0.001 0.000 0.300 1054 T C -1.165 173.639 174.700 0.172 0.000 1.210 1054 T CA -0.709 61.575 62.100 0.308 0.000 1.034 1054 T CB 0.501 69.640 68.868 0.452 0.000 1.537 1054 T HN 0.375 nan 8.240 nan 0.000 0.492 1055 V N 1.784 121.733 119.914 0.058 0.000 2.607 1055 V HA 0.471 4.592 4.120 0.001 0.000 0.289 1055 V C 1.036 177.038 176.094 -0.154 0.000 1.053 1055 V CA -0.433 61.800 62.300 -0.111 0.000 0.996 1055 V CB 0.658 32.227 31.823 -0.422 0.000 0.995 1055 V HN 0.935 nan 8.190 nan 0.000 0.476 1056 Y N 3.850 124.072 120.300 -0.130 0.000 2.224 1056 Y HA -0.231 4.320 4.550 0.002 0.000 0.289 1056 Y C 2.574 178.403 175.900 -0.117 0.000 1.146 1056 Y CA 2.474 60.520 58.100 -0.090 0.000 1.182 1056 Y CB -0.195 38.246 38.460 -0.033 0.000 0.983 1056 Y HN 0.935 nan 8.280 nan 0.000 0.524 1057 H N -2.331 116.742 119.070 0.005 0.000 2.545 1057 H HA 0.021 4.578 4.556 0.001 0.000 0.282 1057 H C 1.901 177.050 175.328 -0.298 0.000 1.020 1057 H CA 1.061 57.056 56.048 -0.090 0.000 1.243 1057 H CB -0.399 29.328 29.762 -0.060 0.000 1.377 1057 H HN 0.467 nan 8.280 nan 0.000 0.581 1058 G N 0.468 108.792 108.800 -0.793 0.000 2.524 1058 G HA2 0.120 4.081 3.960 0.001 0.000 0.210 1058 G HA3 0.120 4.081 3.960 0.001 0.000 0.210 1058 G C 1.801 176.372 174.900 -0.548 0.000 1.187 1058 G CA 0.579 44.957 45.100 -1.204 0.000 0.825 1058 G HN 0.523 nan 8.290 nan 0.000 0.558 1059 A N -0.127 122.540 122.820 -0.256 0.000 2.081 1059 A HA 0.498 4.818 4.320 0.001 0.000 0.214 1059 A C 1.970 179.458 177.584 -0.160 0.000 1.158 1059 A CA 1.450 53.546 52.037 0.098 0.000 0.724 1059 A CB -0.758 18.436 19.000 0.323 0.000 0.826 1059 A HN 1.643 nan 8.150 nan 0.000 0.463 1060 G N -0.185 108.271 108.800 -0.573 0.000 2.614 1060 G HA2 -0.396 3.565 3.960 0.001 0.000 0.303 1060 G HA3 -0.396 3.565 3.960 0.001 0.000 0.303 1060 G C 0.956 175.496 174.900 -0.601 0.000 1.270 1060 G CA 1.780 46.283 45.100 -0.995 0.000 0.988 1060 G HN 1.360 nan 8.290 nan 0.000 0.551 1061 T N -0.928 113.497 114.554 -0.215 0.000 3.206 1061 T HA 0.433 4.784 4.350 0.001 0.000 0.253 1061 T C 1.019 175.753 174.700 0.056 0.000 1.042 1061 T CA 0.574 62.673 62.100 -0.002 0.000 0.931 1061 T CB -0.057 68.859 68.868 0.080 0.000 1.029 1061 T HN 0.697 nan 8.240 nan 0.000 0.564 1062 R N 2.542 123.096 120.500 0.091 0.000 2.643 1062 R HA 0.337 4.678 4.340 0.001 0.000 0.270 1062 R C 0.910 177.415 176.300 0.341 0.000 1.061 1062 R CA 0.014 56.220 56.100 0.177 0.000 1.107 1062 R CB 0.320 30.724 30.300 0.173 0.000 0.999 1062 R HN 0.501 nan 8.270 nan 0.000 0.460 1063 T N -0.395 114.299 114.554 0.234 0.000 2.766 1063 T HA 0.303 4.654 4.350 0.001 0.000 0.295 1063 T C 0.465 175.187 174.700 0.037 0.000 1.024 1063 T CA -0.648 61.595 62.100 0.237 0.000 1.018 1063 T CB 0.750 69.669 68.868 0.084 0.000 1.002 1063 T HN 0.497 nan 8.240 nan 0.000 0.532 1064 I N 0.606 120.981 120.570 -0.325 0.000 2.530 1064 I HA 0.612 4.783 4.170 0.001 0.000 0.297 1064 I C 0.252 176.144 176.117 -0.376 0.000 1.011 1064 I CA -1.256 59.642 61.300 -0.669 0.000 1.107 1064 I CB 1.443 38.519 38.000 -1.540 0.000 1.285 1064 I HN 1.010 nan 8.210 nan 0.000 0.436 1065 A N 5.133 127.776 122.820 -0.295 0.000 2.462 1065 A HA 0.577 4.898 4.320 0.001 0.000 0.243 1065 A C -0.110 177.355 177.584 -0.198 0.000 1.076 1065 A CA 0.359 52.280 52.037 -0.193 0.000 0.773 1065 A CB 0.219 19.129 19.000 -0.150 0.000 1.010 1065 A HN 0.830 nan 8.150 nan 0.000 0.493 1066 S N 1.096 116.712 115.700 -0.140 0.000 2.625 1066 S HA 0.684 5.155 4.470 0.001 0.000 0.271 1066 S C -2.696 171.854 174.600 -0.084 0.000 1.161 1066 S CA -0.964 57.165 58.200 -0.120 0.000 0.820 1066 S CB 1.307 64.438 63.200 -0.115 0.000 1.137 1066 S HN 0.216 nan 8.310 nan 0.000 0.470 1067 P HA 0.032 nan 4.420 nan 0.000 0.219 1067 P C 0.433 177.707 177.300 -0.044 0.000 1.146 1067 P CA 1.231 64.300 63.100 -0.052 0.000 0.808 1067 P CB -0.035 31.638 31.700 -0.045 0.000 0.779 1068 K N -1.348 119.025 120.400 -0.045 0.000 2.372 1068 K HA 0.401 4.721 4.320 0.001 0.000 0.200 1068 K C 0.860 177.438 176.600 -0.037 0.000 1.022 1068 K CA 0.235 56.501 56.287 -0.036 0.000 1.125 1068 K CB 0.439 32.920 32.500 -0.032 0.000 0.855 1068 K HN 0.130 nan 8.250 nan 0.000 0.524 1069 G N 2.347 111.119 108.800 -0.046 0.000 2.422 1069 G HA2 -0.143 3.818 3.960 0.001 0.000 0.607 1069 G HA3 -0.143 3.818 3.960 0.001 0.000 0.607 1069 G C -3.106 171.761 174.900 -0.055 0.000 1.270 1069 G CA -1.255 43.818 45.100 -0.044 0.000 0.992 1069 G HN -0.132 nan 8.290 nan 0.000 0.499 1070 P HA 0.442 nan 4.420 nan 0.000 0.271 1070 P C -0.223 177.058 177.300 -0.032 0.000 1.216 1070 P CA -0.024 63.047 63.100 -0.049 0.000 0.771 1070 P CB 1.375 33.060 31.700 -0.025 0.000 0.864 1071 V N 4.237 124.124 119.914 -0.044 0.000 2.370 1071 V HA 0.198 4.319 4.120 0.001 0.000 0.283 1071 V C 0.768 176.942 176.094 0.134 0.000 1.023 1071 V CA -0.275 62.031 62.300 0.009 0.000 0.857 1071 V CB 1.358 33.163 31.823 -0.031 0.000 0.985 1071 V HN 0.517 nan 8.190 nan 0.000 0.443 1072 T N 4.792 119.421 114.554 0.125 0.000 2.918 1072 T HA 0.152 4.503 4.350 0.001 0.000 0.302 1072 T C 0.256 175.069 174.700 0.188 0.000 1.045 1072 T CA -0.155 62.036 62.100 0.151 0.000 1.114 1072 T CB 0.385 69.287 68.868 0.057 0.000 0.965 1072 T HN 0.701 nan 8.240 nan 0.000 0.540 1073 Q N 2.198 122.050 119.800 0.085 0.000 2.315 1073 Q HA 0.071 4.412 4.340 0.001 0.000 0.289 1073 Q C 1.215 177.087 176.000 -0.214 0.000 1.044 1073 Q CA 0.169 55.835 55.803 -0.228 0.000 0.920 1073 Q CB 0.436 28.959 28.738 -0.359 0.000 1.214 1073 Q HN 0.668 nan 8.270 nan 0.000 0.392 1074 M N 1.428 120.818 119.600 -0.350 0.000 2.288 1074 M HA -0.028 4.453 4.480 0.001 0.000 0.266 1074 M C -0.498 175.356 176.300 -0.744 0.000 1.072 1074 M CA 1.237 56.184 55.300 -0.590 0.000 1.132 1074 M CB 0.449 32.535 32.600 -0.858 0.000 1.386 1074 M HN 0.513 nan 8.290 nan 0.000 0.432 1075 Y N -0.950 119.259 120.300 -0.152 0.000 2.457 1075 Y HA 0.394 4.945 4.550 0.001 0.000 0.343 1075 Y C -0.594 175.266 175.900 -0.067 0.000 0.994 1075 Y CA -1.462 56.605 58.100 -0.056 0.000 1.031 1075 Y CB 1.677 40.168 38.460 0.052 0.000 1.246 1075 Y HN -0.249 nan 8.280 nan 0.000 0.449 1076 T N 2.863 117.504 114.554 0.146 0.000 3.031 1076 T HA 0.321 4.671 4.350 0.001 0.000 0.305 1076 T C -1.333 173.417 174.700 0.083 0.000 0.985 1076 T CA -0.902 61.262 62.100 0.106 0.000 1.008 1076 T CB 0.837 69.757 68.868 0.086 0.000 1.005 1076 T HN 0.497 nan 8.240 nan 0.000 0.444 1077 N N 2.856 121.593 118.700 0.063 0.000 2.653 1077 N HA 0.133 4.874 4.740 0.001 0.000 0.261 1077 N C 0.670 176.110 175.510 -0.117 0.000 1.216 1077 N CA -0.392 52.643 53.050 -0.025 0.000 0.784 1077 N CB 1.687 40.178 38.487 0.006 0.000 1.327 1077 N HN 0.368 nan 8.380 nan 0.000 0.539 1078 V N 2.463 122.179 119.914 -0.329 0.000 2.490 1078 V HA -0.149 3.972 4.120 0.001 0.000 0.250 1078 V C 1.185 177.133 176.094 -0.244 0.000 1.061 1078 V CA 1.954 63.928 62.300 -0.544 0.000 1.064 1078 V CB -0.035 31.278 31.823 -0.850 0.000 0.670 1078 V HN 0.531 nan 8.190 nan 0.000 0.461 1079 D N -0.171 120.130 120.400 -0.165 0.000 2.178 1079 D HA -0.124 4.517 4.640 0.001 0.000 0.202 1079 D C 2.087 178.339 176.300 -0.080 0.000 0.974 1079 D CA 1.233 55.168 54.000 -0.107 0.000 0.841 1079 D CB -0.076 40.671 40.800 -0.088 0.000 0.953 1079 D HN 0.500 nan 8.370 nan 0.000 0.478 1080 K N 0.164 120.522 120.400 -0.070 0.000 2.379 1080 K HA -0.031 4.289 4.320 0.001 0.000 0.194 1080 K C -0.058 176.527 176.600 -0.025 0.000 1.031 1080 K CA 0.033 56.287 56.287 -0.054 0.000 1.037 1080 K CB 0.598 33.065 32.500 -0.056 0.000 0.824 1080 K HN -0.170 nan 8.250 nan 0.000 0.516 1081 D N 0.920 121.316 120.400 -0.006 0.000 2.716 1081 D HA -0.176 4.465 4.640 0.001 0.000 0.239 1081 D C -1.517 174.838 176.300 0.092 0.000 1.125 1081 D CA 0.504 54.548 54.000 0.074 0.000 0.681 1081 D CB -0.977 39.878 40.800 0.091 0.000 1.070 1081 D HN 0.074 nan 8.370 nan 0.000 0.432 1082 L N 0.169 121.453 121.223 0.102 0.000 2.436 1082 L HA 0.752 5.093 4.340 0.001 0.000 0.268 1082 L C -0.930 176.045 176.870 0.175 0.000 0.974 1082 L CA -0.746 54.169 54.840 0.126 0.000 0.826 1082 L CB 2.088 44.187 42.059 0.068 0.000 1.291 1082 L HN 0.061 nan 8.230 nan 0.000 0.406 1083 V N 1.076 121.087 119.914 0.161 0.000 3.130 1083 V HA 1.114 5.235 4.120 0.001 0.000 0.310 1083 V C -0.467 175.591 176.094 -0.059 0.000 1.158 1083 V CA 0.060 62.365 62.300 0.010 0.000 1.029 1083 V CB 1.630 33.321 31.823 -0.220 0.000 1.057 1083 V HN 1.062 nan 8.190 nan 0.000 0.436 1084 G N 1.050 109.642 108.800 -0.346 0.000 2.733 1084 G HA2 0.629 4.589 3.960 0.001 0.000 0.297 1084 G HA3 0.629 4.589 3.960 0.001 0.000 0.297 1084 G C -1.752 172.772 174.900 -0.627 0.000 1.422 1084 G CA -0.608 44.153 45.100 -0.565 0.000 0.942 1084 G HN 0.783 nan 8.290 nan 0.000 0.510 1085 W N 0.431 121.582 121.300 -0.248 0.000 2.799 1085 W HA 0.459 5.120 4.660 0.001 0.000 0.349 1085 W C 0.281 176.656 176.519 -0.241 0.000 1.100 1085 W CA -0.856 56.364 57.345 -0.208 0.000 1.174 1085 W CB 1.798 31.178 29.460 -0.133 0.000 1.427 1085 W HN 0.616 nan 8.180 nan 0.000 0.547 1086 Q N 1.506 121.329 119.800 0.039 0.000 2.283 1086 Q HA 0.249 4.590 4.340 0.001 0.000 0.301 1086 Q C 0.191 176.196 176.000 0.009 0.000 1.063 1086 Q CA 0.215 56.009 55.803 -0.015 0.000 0.952 1086 Q CB 0.743 29.469 28.738 -0.019 0.000 1.166 1086 Q HN 0.452 nan 8.270 nan 0.000 0.381 1087 A N 5.861 128.673 122.820 -0.014 0.000 2.445 1087 A HA 0.331 4.652 4.320 0.001 0.000 0.242 1087 A C -2.173 175.400 177.584 -0.019 0.000 1.075 1087 A CA -1.161 50.872 52.037 -0.007 0.000 0.777 1087 A CB -0.147 18.855 19.000 0.003 0.000 1.013 1087 A HN 0.653 nan 8.150 nan 0.000 0.493 1088 P HA 0.015 nan 4.420 nan 0.000 0.266 1088 P C -0.177 177.103 177.300 -0.032 0.000 1.195 1088 P CA -0.121 62.949 63.100 -0.050 0.000 0.768 1088 P CB 0.410 32.071 31.700 -0.066 0.000 0.838 1089 Q N 2.200 121.981 119.800 -0.032 0.000 2.286 1089 Q HA 0.043 4.384 4.340 0.001 0.000 0.290 1089 Q C 1.218 177.205 176.000 -0.022 0.000 1.049 1089 Q CA 1.710 57.500 55.803 -0.023 0.000 0.923 1089 Q CB -0.289 28.435 28.738 -0.024 0.000 1.183 1089 Q HN 0.871 nan 8.270 nan 0.000 0.383 1090 G N 2.938 111.730 108.800 -0.014 0.000 2.225 1090 G HA2 -0.320 3.641 3.960 0.001 0.000 0.254 1090 G HA3 -0.320 3.641 3.960 0.001 0.000 0.254 1090 G C 0.215 175.108 174.900 -0.011 0.000 0.988 1090 G CA 0.535 45.628 45.100 -0.012 0.000 0.625 1090 G HN 1.000 nan 8.290 nan 0.000 0.527 1091 S N -0.102 115.591 115.700 -0.011 0.000 2.608 1091 S HA 0.712 5.183 4.470 0.001 0.000 0.261 1091 S C 0.310 174.914 174.600 0.007 0.000 1.314 1091 S CA -0.104 58.093 58.200 -0.005 0.000 0.992 1091 S CB 1.433 64.630 63.200 -0.005 0.000 0.935 1091 S HN 0.596 nan 8.310 nan 0.000 0.564 1092 R N 0.272 120.780 120.500 0.013 0.000 2.637 1092 R HA 0.553 4.894 4.340 0.001 0.000 0.291 1092 R C -0.845 175.480 176.300 0.042 0.000 0.963 1092 R CA -0.551 55.563 56.100 0.024 0.000 0.901 1092 R CB 2.098 32.408 30.300 0.018 0.000 1.160 1092 R HN 0.645 nan 8.270 nan 0.000 0.457 1093 S N 2.309 118.042 115.700 0.054 0.000 2.489 1093 S HA 0.406 4.877 4.470 0.001 0.000 0.291 1093 S C 0.114 174.762 174.600 0.081 0.000 1.151 1093 S CA -0.722 57.526 58.200 0.081 0.000 1.082 1093 S CB 0.883 64.138 63.200 0.092 0.000 1.019 1093 S HN 0.311 nan 8.310 nan 0.000 0.492 1094 L N 2.178 123.459 121.223 0.097 0.000 2.452 1094 L HA 0.274 4.615 4.340 0.001 0.000 0.267 1094 L C 1.108 178.035 176.870 0.096 0.000 1.188 1094 L CA -0.192 54.706 54.840 0.097 0.000 0.821 1094 L CB 0.479 42.598 42.059 0.101 0.000 1.102 1094 L HN 0.521 nan 8.230 nan 0.000 0.470 1095 T N 2.534 117.143 114.554 0.093 0.000 2.882 1095 T HA 0.404 4.755 4.350 0.001 0.000 0.287 1095 T C -2.466 172.242 174.700 0.014 0.000 0.992 1095 T CA -1.819 60.305 62.100 0.040 0.000 1.076 1095 T CB 1.373 70.237 68.868 -0.006 0.000 0.961 1095 T HN 0.244 nan 8.240 nan 0.000 0.490 1096 P HA 0.157 nan 4.420 nan 0.000 0.268 1096 P C -0.277 176.966 177.300 -0.095 0.000 1.205 1096 P CA -0.537 62.547 63.100 -0.027 0.000 0.771 1096 P CB 0.211 31.894 31.700 -0.028 0.000 0.858 1097 C N 3.738 123.026 119.300 -0.020 0.000 2.648 1097 C HA 0.163 4.623 4.460 0.001 0.000 0.415 1097 C C 1.610 176.567 174.990 -0.054 0.000 1.366 1097 C CA 0.741 59.755 59.018 -0.006 0.000 1.756 1097 C CB -1.420 26.393 27.740 0.122 0.000 2.549 1097 C HN 0.745 nan 8.230 nan 0.000 0.597 1098 T N 1.428 115.915 114.554 -0.112 0.000 3.174 1098 T HA 0.111 4.462 4.350 0.001 0.000 0.269 1098 T C 0.943 175.653 174.700 0.017 0.000 1.017 1098 T CA -0.024 62.044 62.100 -0.054 0.000 0.899 1098 T CB -0.560 68.252 68.868 -0.094 0.000 1.077 1098 T HN 0.782 nan 8.240 nan 0.000 0.552 1099 C N 0.873 120.220 119.300 0.080 0.000 2.533 1099 C HA 0.543 5.004 4.460 0.001 0.000 0.272 1099 C C 2.250 177.276 174.990 0.060 0.000 1.371 1099 C CA 0.021 59.096 59.018 0.095 0.000 1.758 1099 C CB -1.144 26.681 27.740 0.142 0.000 1.972 1099 C HN 0.856 nan 8.230 nan 0.000 0.522 1100 G N 1.644 110.474 108.800 0.050 0.000 2.273 1100 G HA2 -0.234 3.726 3.960 0.001 0.000 0.280 1100 G HA3 -0.234 3.726 3.960 0.001 0.000 0.280 1100 G C 0.121 175.046 174.900 0.042 0.000 1.047 1100 G CA 0.660 45.783 45.100 0.040 0.000 0.869 1100 G HN 0.602 nan 8.290 nan 0.000 0.502 1101 S N -0.919 114.811 115.700 0.050 0.000 2.537 1101 S HA 0.639 5.110 4.470 0.001 0.000 0.275 1101 S C 1.336 175.953 174.600 0.029 0.000 1.272 1101 S CA 0.420 58.645 58.200 0.041 0.000 1.050 1101 S CB 1.240 64.471 63.200 0.052 0.000 0.961 1101 S HN 0.462 nan 8.310 nan 0.000 0.496 1102 S N 2.690 118.401 115.700 0.018 0.000 2.539 1102 S HA 0.191 4.662 4.470 0.001 0.000 0.221 1102 S C -0.586 173.997 174.600 -0.029 0.000 0.987 1102 S CA -0.352 57.854 58.200 0.009 0.000 0.929 1102 S CB 0.092 63.303 63.200 0.019 0.000 0.832 1102 S HN 0.716 nan 8.310 nan 0.000 0.492 1103 D N 2.580 122.956 120.400 -0.040 0.000 2.411 1103 D HA 0.334 4.975 4.640 0.001 0.000 0.225 1103 D C -0.305 175.897 176.300 -0.164 0.000 1.156 1103 D CA 0.097 54.033 54.000 -0.106 0.000 0.874 1103 D CB 0.790 41.554 40.800 -0.060 0.000 1.034 1103 D HN 0.255 nan 8.370 nan 0.000 0.502 1104 L N 1.434 122.493 121.223 -0.274 0.000 2.304 1104 L HA 0.521 4.862 4.340 0.001 0.000 0.268 1104 L C -0.711 175.843 176.870 -0.527 0.000 1.010 1104 L CA -1.144 53.548 54.840 -0.247 0.000 0.813 1104 L CB 1.119 43.055 42.059 -0.206 0.000 1.315 1104 L HN 0.209 nan 8.230 nan 0.000 0.445 1105 Y N 1.041 121.291 120.300 -0.083 0.000 2.346 1105 Y HA 0.407 4.958 4.550 0.001 0.000 0.332 1105 Y C -0.433 175.414 175.900 -0.089 0.000 0.985 1105 Y CA -0.659 57.398 58.100 -0.072 0.000 1.112 1105 Y CB 2.005 40.431 38.460 -0.056 0.000 1.170 1105 Y HN 0.268 nan 8.280 nan 0.000 0.447 1106 L N 4.639 125.864 121.223 0.004 0.000 2.305 1106 L HA 0.623 4.964 4.340 0.001 0.000 0.281 1106 L C -0.966 175.892 176.870 -0.020 0.000 1.085 1106 L CA -0.342 54.464 54.840 -0.057 0.000 0.813 1106 L CB 0.774 42.736 42.059 -0.162 0.000 1.157 1106 L HN 0.428 nan 8.230 nan 0.000 0.436 1107 V N 4.684 124.587 119.914 -0.019 0.000 2.394 1107 V HA 0.511 4.631 4.120 0.001 0.000 0.282 1107 V C 0.522 176.604 176.094 -0.020 0.000 1.031 1107 V CA -0.171 62.126 62.300 -0.004 0.000 0.881 1107 V CB 1.356 33.182 31.823 0.006 0.000 0.982 1107 V HN 0.968 nan 8.190 nan 0.000 0.451 1108 T N 2.212 116.759 114.554 -0.012 0.000 2.936 1108 T HA 0.352 4.703 4.350 0.001 0.000 0.282 1108 T C 1.011 175.700 174.700 -0.019 0.000 1.003 1108 T CA -0.626 61.466 62.100 -0.013 0.000 1.005 1108 T CB 1.433 70.314 68.868 0.022 0.000 1.097 1108 T HN 0.527 nan 8.240 nan 0.000 0.532 1109 R N -0.482 119.975 120.500 -0.071 0.000 2.189 1109 R HA -0.076 4.265 4.340 0.001 0.000 0.223 1109 R C 0.978 177.119 176.300 -0.265 0.000 1.092 1109 R CA 0.962 56.962 56.100 -0.168 0.000 0.989 1109 R CB -0.343 29.827 30.300 -0.216 0.000 0.876 1109 R HN 0.713 nan 8.270 nan 0.000 0.457 1110 H N -0.378 118.699 119.070 0.011 0.000 2.526 1110 H HA 0.207 4.764 4.556 0.001 0.000 0.274 1110 H C 0.770 176.102 175.328 0.007 0.000 0.999 1110 H CA 0.629 56.674 56.048 -0.005 0.000 1.157 1110 H CB 0.667 30.404 29.762 -0.040 0.000 1.407 1110 H HN 0.291 nan 8.280 nan 0.000 0.568 1111 A N 1.181 124.045 122.820 0.073 0.000 2.905 1111 A HA -0.213 4.108 4.320 0.001 0.000 0.260 1111 A C 0.196 177.818 177.584 0.065 0.000 1.398 1111 A CA 0.878 52.945 52.037 0.051 0.000 0.840 1111 A CB -1.958 17.077 19.000 0.059 0.000 1.059 1111 A HN 0.407 nan 8.150 nan 0.000 0.647 1112 D N -0.403 120.043 120.400 0.078 0.000 2.304 1112 D HA 0.518 5.159 4.640 0.001 0.000 0.247 1112 D C -0.180 176.151 176.300 0.052 0.000 1.089 1112 D CA 0.253 54.296 54.000 0.072 0.000 0.910 1112 D CB 1.326 42.182 40.800 0.094 0.000 1.199 1112 D HN 0.391 nan 8.370 nan 0.000 0.426 1113 V N 5.036 124.986 119.914 0.059 0.000 2.376 1113 V HA 0.359 4.480 4.120 0.001 0.000 0.287 1113 V C 0.059 176.222 176.094 0.115 0.000 1.015 1113 V CA -0.646 61.700 62.300 0.076 0.000 0.834 1113 V CB 1.072 32.924 31.823 0.049 0.000 1.001 1113 V HN 0.401 nan 8.190 nan 0.000 0.428 1114 I N 7.085 127.712 120.570 0.095 0.000 2.389 1114 I HA 0.416 4.586 4.170 0.001 0.000 0.288 1114 I C -2.502 173.617 176.117 0.003 0.000 0.999 1114 I CA -2.187 59.142 61.300 0.050 0.000 1.129 1114 I CB 2.422 40.420 38.000 -0.003 0.000 1.288 1114 I HN 0.373 nan 8.210 nan 0.000 0.444 1115 P HA 0.169 nan 4.420 nan 0.000 0.271 1115 P C -0.888 176.285 177.300 -0.211 0.000 1.216 1115 P CA -0.100 62.837 63.100 -0.272 0.000 0.771 1115 P CB 0.894 32.477 31.700 -0.196 0.000 0.864 1116 V N 3.791 123.539 119.914 -0.277 0.000 2.668 1116 V HA 0.413 4.533 4.120 0.001 0.000 0.304 1116 V C -0.085 175.917 176.094 -0.152 0.000 1.071 1116 V CA -0.743 61.462 62.300 -0.158 0.000 0.894 1116 V CB 2.176 33.925 31.823 -0.123 0.000 1.008 1116 V HN 0.366 nan 8.190 nan 0.000 0.425 1117 R N 3.826 124.278 120.500 -0.081 0.000 2.265 1117 R HA 0.455 4.796 4.340 0.001 0.000 0.319 1117 R C -0.076 176.227 176.300 0.006 0.000 1.006 1117 R CA -0.356 55.713 56.100 -0.052 0.000 0.880 1117 R CB 0.660 30.938 30.300 -0.037 0.000 1.077 1117 R HN 0.747 nan 8.270 nan 0.000 0.454 1118 R N 3.281 123.796 120.500 0.025 0.000 2.491 1118 R HA 0.123 4.464 4.340 0.001 0.000 0.283 1118 R C -0.021 176.326 176.300 0.078 0.000 1.072 1118 R CA -0.059 56.104 56.100 0.105 0.000 1.048 1118 R CB 0.605 30.980 30.300 0.124 0.000 0.983 1118 R HN 0.628 nan 8.270 nan 0.000 0.450 1119 R N 2.265 122.817 120.500 0.087 0.000 2.419 1119 R HA 0.270 4.611 4.340 0.001 0.000 0.235 1119 R C 0.390 176.706 176.300 0.027 0.000 0.899 1119 R CA 0.400 56.527 56.100 0.044 0.000 1.048 1119 R CB 1.516 31.836 30.300 0.033 0.000 1.182 1119 R HN 0.814 nan 8.270 nan 0.000 0.544 1120 G N -0.226 108.592 108.800 0.030 0.000 2.561 1120 G HA2 0.108 4.069 3.960 0.001 0.000 0.310 1120 G HA3 0.108 4.069 3.960 0.001 0.000 0.310 1120 G C -0.611 174.272 174.900 -0.028 0.000 1.292 1120 G CA -0.449 44.645 45.100 -0.009 0.000 0.811 1120 G HN -0.212 nan 8.290 nan 0.000 0.482 1121 D N 0.024 120.378 120.400 -0.078 0.000 2.123 1121 D HA -0.086 4.555 4.640 0.001 0.000 0.196 1121 D C 2.291 178.397 176.300 -0.322 0.000 0.992 1121 D CA 2.323 56.256 54.000 -0.113 0.000 0.833 1121 D CB 0.062 40.794 40.800 -0.114 0.000 0.954 1121 D HN 0.475 nan 8.370 nan 0.000 0.455 1122 S N -1.881 113.525 115.700 -0.491 0.000 2.937 1122 S HA 0.268 4.738 4.470 0.001 0.000 0.252 1122 S C 0.334 174.390 174.600 -0.908 0.000 1.022 1122 S CA -0.739 56.876 58.200 -0.975 0.000 1.079 1122 S CB 1.157 64.043 63.200 -0.524 0.000 1.035 1122 S HN 0.046 nan 8.310 nan 0.000 0.594 1123 R N -0.113 120.124 120.500 -0.438 0.000 2.673 1123 R HA 0.694 5.035 4.340 0.001 0.000 0.281 1123 R C -0.756 175.662 176.300 0.196 0.000 0.991 1123 R CA -0.308 55.756 56.100 -0.060 0.000 0.896 1123 R CB 1.634 31.906 30.300 -0.046 0.000 1.201 1123 R HN 0.295 nan 8.270 nan 0.000 0.457 1124 G N 0.527 109.486 108.800 0.265 0.000 2.672 1124 G HA2 0.432 4.393 3.960 0.001 0.000 0.292 1124 G HA3 0.432 4.393 3.960 0.001 0.000 0.292 1124 G C -1.429 173.539 174.900 0.112 0.000 1.375 1124 G CA -0.713 44.504 45.100 0.195 0.000 0.890 1124 G HN 0.588 nan 8.290 nan 0.000 0.476 1125 S N 0.133 115.868 115.700 0.057 0.000 2.475 1125 S HA 0.633 5.104 4.470 0.001 0.000 0.298 1125 S C -0.052 174.551 174.600 0.006 0.000 1.119 1125 S CA -0.765 57.454 58.200 0.032 0.000 1.085 1125 S CB 1.502 64.712 63.200 0.017 0.000 1.028 1125 S HN 0.563 nan 8.310 nan 0.000 0.489 1126 L N 3.286 124.512 121.223 0.004 0.000 2.462 1126 L HA 0.145 4.486 4.340 0.001 0.000 0.272 1126 L C 1.048 177.903 176.870 -0.025 0.000 1.166 1126 L CA -0.323 54.506 54.840 -0.019 0.000 0.880 1126 L CB 0.262 42.313 42.059 -0.014 0.000 1.142 1126 L HN 0.782 nan 8.230 nan 0.000 0.473 1127 L N 1.796 122.994 121.223 -0.042 0.000 2.418 1127 L HA 0.037 4.377 4.340 0.001 0.000 0.218 1127 L C 0.994 177.849 176.870 -0.025 0.000 1.125 1127 L CA 0.580 55.398 54.840 -0.037 0.000 0.835 1127 L CB -0.022 42.004 42.059 -0.055 0.000 0.953 1127 L HN 0.546 nan 8.230 nan 0.000 0.454 1128 S N 0.487 116.174 115.700 -0.023 0.000 2.745 1128 S HA 0.422 4.893 4.470 0.001 0.000 0.283 1128 S C -2.460 172.129 174.600 -0.018 0.000 1.170 1128 S CA -1.513 56.678 58.200 -0.014 0.000 1.119 1128 S CB 0.884 64.083 63.200 -0.003 0.000 1.035 1128 S HN -0.160 nan 8.310 nan 0.000 0.483 1129 P HA 0.212 nan 4.420 nan 0.000 0.266 1129 P C -0.605 176.662 177.300 -0.055 0.000 1.193 1129 P CA -0.076 63.003 63.100 -0.035 0.000 0.770 1129 P CB 0.369 32.046 31.700 -0.039 0.000 0.836 1130 R N 2.202 122.660 120.500 -0.069 0.000 2.771 1130 R HA 0.507 4.848 4.340 0.001 0.000 0.274 1130 R C -2.720 173.475 176.300 -0.175 0.000 0.987 1130 R CA -2.450 53.570 56.100 -0.133 0.000 0.908 1130 R CB 0.889 31.163 30.300 -0.044 0.000 1.213 1130 R HN 0.226 nan 8.270 nan 0.000 0.468 1131 P HA 0.161 nan 4.420 nan 0.000 0.268 1131 P C 0.933 178.195 177.300 -0.063 0.000 1.205 1131 P CA -0.098 62.848 63.100 -0.257 0.000 0.771 1131 P CB 0.624 32.040 31.700 -0.472 0.000 0.858 1132 I N 2.442 123.019 120.570 0.012 0.000 2.361 1132 I HA -0.289 3.882 4.170 0.001 0.000 0.251 1132 I C 1.854 178.064 176.117 0.154 0.000 1.133 1132 I CA 1.868 63.221 61.300 0.087 0.000 1.413 1132 I CB -0.089 37.959 38.000 0.079 0.000 1.073 1132 I HN 0.357 nan 8.210 nan 0.000 0.424 1133 S N -0.068 115.734 115.700 0.169 0.000 2.419 1133 S HA -0.227 4.244 4.470 0.001 0.000 0.233 1133 S C 1.856 176.674 174.600 0.363 0.000 1.016 1133 S CA 0.891 59.236 58.200 0.242 0.000 0.974 1133 S CB -0.799 62.541 63.200 0.233 0.000 0.786 1133 S HN 0.515 nan 8.310 nan 0.000 0.492 1134 Y N 1.522 121.875 120.300 0.089 0.000 2.509 1134 Y HA 0.319 4.870 4.550 0.002 0.000 0.293 1134 Y C 1.798 177.798 175.900 0.166 0.000 1.133 1134 Y CA -0.374 57.793 58.100 0.112 0.000 1.283 1134 Y CB -0.435 38.059 38.460 0.055 0.000 1.001 1134 Y HN 0.302 nan 8.280 nan 0.000 0.555 1135 L N -0.217 121.174 121.223 0.279 0.000 2.607 1135 L HA 0.081 4.422 4.340 0.001 0.000 0.228 1135 L C 0.948 177.961 176.870 0.240 0.000 1.123 1135 L CA -0.034 54.924 54.840 0.196 0.000 0.890 1135 L CB -0.114 42.033 42.059 0.146 0.000 1.103 1135 L HN -0.103 nan 8.230 nan 0.000 0.468 1136 K N 1.286 121.828 120.400 0.237 0.000 2.472 1136 K HA 0.115 4.435 4.320 0.001 0.000 0.280 1136 K C 1.138 177.843 176.600 0.175 0.000 1.028 1136 K CA 0.940 57.354 56.287 0.211 0.000 1.045 1136 K CB 0.337 32.952 32.500 0.192 0.000 0.902 1136 K HN 0.218 nan 8.250 nan 0.000 0.478 1137 G N 2.673 111.598 108.800 0.209 0.000 2.155 1137 G HA2 -0.273 3.688 3.960 0.001 0.000 0.257 1137 G HA3 -0.273 3.688 3.960 0.001 0.000 0.257 1137 G C 0.621 175.657 174.900 0.227 0.000 0.983 1137 G CA 0.615 45.845 45.100 0.217 0.000 0.676 1137 G HN 0.620 nan 8.290 nan 0.000 0.528 1138 S N -0.101 115.767 115.700 0.281 0.000 2.528 1138 S HA 0.496 4.967 4.470 0.001 0.000 0.219 1138 S C 1.644 176.567 174.600 0.539 0.000 0.985 1138 S CA 0.708 59.093 58.200 0.308 0.000 0.914 1138 S CB 0.170 63.460 63.200 0.151 0.000 0.776 1138 S HN 1.537 nan 8.310 nan 0.000 0.526 1139 A N 0.758 123.889 122.820 0.518 0.000 2.540 1139 A HA 0.474 4.795 4.320 0.001 0.000 0.239 1139 A C 1.495 179.250 177.584 0.285 0.000 1.061 1139 A CA 0.590 52.809 52.037 0.304 0.000 0.758 1139 A CB -0.551 18.504 19.000 0.092 0.000 0.991 1139 A HN 0.861 nan 8.150 nan 0.000 0.502 1140 G N 1.335 110.283 108.800 0.246 0.000 2.234 1140 G HA2 0.003 3.964 3.960 0.001 0.000 0.235 1140 G HA3 0.003 3.964 3.960 0.001 0.000 0.235 1140 G C 0.910 175.967 174.900 0.262 0.000 0.997 1140 G CA 0.408 45.669 45.100 0.268 0.000 0.623 1140 G HN 1.907 nan 8.290 nan 0.000 0.514 1141 G N 0.522 109.490 108.800 0.280 0.000 2.557 1141 G HA2 0.695 4.656 3.960 0.001 0.000 0.292 1141 G HA3 0.695 4.656 3.960 0.001 0.000 0.292 1141 G C -2.391 172.621 174.900 0.186 0.000 1.237 1141 G CA -0.527 44.694 45.100 0.203 0.000 0.978 1141 G HN 0.326 nan 8.290 nan 0.000 0.498 1142 P HA 0.362 nan 4.420 nan 0.000 0.290 1142 P C -0.886 176.431 177.300 0.027 0.000 1.283 1142 P CA -0.630 62.516 63.100 0.078 0.000 0.869 1142 P CB 2.028 33.764 31.700 0.060 0.000 1.100 1143 L N 3.153 124.352 121.223 -0.041 0.000 2.272 1143 L HA 0.446 4.787 4.340 0.001 0.000 0.289 1143 L C 0.430 177.251 176.870 -0.081 0.000 1.032 1143 L CA -0.394 54.366 54.840 -0.134 0.000 0.810 1143 L CB 0.495 42.310 42.059 -0.407 0.000 1.205 1143 L HN 0.342 nan 8.230 nan 0.000 0.422 1144 L N 3.006 124.226 121.223 -0.006 0.000 2.334 1144 L HA 0.542 4.883 4.340 0.001 0.000 0.272 1144 L C 0.541 177.463 176.870 0.087 0.000 1.020 1144 L CA -0.754 54.110 54.840 0.040 0.000 0.812 1144 L CB 2.164 44.251 42.059 0.046 0.000 1.264 1144 L HN 0.704 nan 8.230 nan 0.000 0.439 1145 C N 0.155 119.496 119.300 0.070 0.000 2.470 1145 C HA 0.396 4.856 4.460 0.001 0.000 0.350 1145 C C -1.147 173.908 174.990 0.109 0.000 1.341 1145 C CA -1.117 57.955 59.018 0.089 0.000 2.440 1145 C CB 0.654 28.434 27.740 0.068 0.000 2.295 1145 C HN 0.667 nan 8.230 nan 0.000 0.645 1146 P HA 0.004 nan 4.420 nan 0.000 0.219 1146 P C 1.340 178.578 177.300 -0.105 0.000 1.146 1146 P CA 2.556 65.702 63.100 0.076 0.000 0.808 1146 P CB -0.146 31.621 31.700 0.112 0.000 0.779 1147 A N -1.155 121.556 122.820 -0.182 0.000 2.208 1147 A HA 0.420 4.741 4.320 0.001 0.000 0.209 1147 A C 1.658 179.017 177.584 -0.375 0.000 1.161 1147 A CA 0.852 52.695 52.037 -0.322 0.000 0.782 1147 A CB -1.135 17.568 19.000 -0.496 0.000 0.816 1147 A HN 0.245 nan 8.150 nan 0.000 0.477 1148 G N -1.158 107.480 108.800 -0.270 0.000 2.141 1148 G HA2 -0.229 3.731 3.960 0.001 0.000 0.231 1148 G HA3 -0.229 3.731 3.960 0.001 0.000 0.231 1148 G C -0.040 174.817 174.900 -0.072 0.000 0.984 1148 G CA 0.279 45.285 45.100 -0.157 0.000 0.660 1148 G HN 0.802 nan 8.290 nan 0.000 0.525 1149 H N 0.325 119.401 119.070 0.009 0.000 2.607 1149 H HA 0.582 5.139 4.556 0.001 0.000 0.367 1149 H C 0.876 176.209 175.328 0.009 0.000 1.181 1149 H CA -0.234 55.822 56.048 0.012 0.000 1.402 1149 H CB 1.152 30.922 29.762 0.013 0.000 1.474 1149 H HN 0.500 nan 8.280 nan 0.000 0.596 1150 A N 2.053 124.962 122.820 0.148 0.000 2.409 1150 A HA 0.236 4.556 4.320 0.001 0.000 0.267 1150 A C 0.754 178.362 177.584 0.041 0.000 1.127 1150 A CA -0.499 51.580 52.037 0.070 0.000 0.795 1150 A CB 0.250 19.286 19.000 0.060 0.000 1.061 1150 A HN 0.602 nan 8.150 nan 0.000 0.502 1151 V N 2.402 122.311 119.914 -0.008 0.000 3.212 1151 V HA 0.413 4.533 4.120 0.001 0.000 0.244 1151 V C 1.245 177.314 176.094 -0.042 0.000 1.151 1151 V CA 1.294 63.572 62.300 -0.036 0.000 1.119 1151 V CB -0.087 31.676 31.823 -0.099 0.000 0.838 1151 V HN 1.215 nan 8.190 nan 0.000 0.470 1152 G N -0.555 108.191 108.800 -0.089 0.000 2.495 1152 G HA2 0.495 4.456 3.960 0.001 0.000 0.294 1152 G HA3 0.495 4.456 3.960 0.001 0.000 0.294 1152 G C -1.938 172.985 174.900 0.038 0.000 1.397 1152 G CA -0.575 44.543 45.100 0.030 0.000 0.790 1152 G HN -0.151 nan 8.290 nan 0.000 0.486 1153 I N 1.191 121.839 120.570 0.130 0.000 2.339 1153 I HA 0.329 4.500 4.170 0.001 0.000 0.290 1153 I C -0.219 176.055 176.117 0.261 0.000 0.994 1153 I CA -0.719 60.676 61.300 0.158 0.000 1.191 1153 I CB 1.170 39.231 38.000 0.102 0.000 1.343 1153 I HN 0.470 nan 8.210 nan 0.000 0.458 1154 F N 7.376 127.406 119.950 0.133 0.000 2.572 1154 F HA 0.107 4.635 4.527 0.001 0.000 0.370 1154 F C 1.263 177.168 175.800 0.174 0.000 1.103 1154 F CA 0.487 58.587 58.000 0.166 0.000 1.286 1154 F CB 0.561 39.635 39.000 0.123 0.000 1.105 1154 F HN 0.603 nan 8.300 nan 0.000 0.583 1155 R N 3.656 123.784 120.500 -0.619 0.000 2.197 1155 R HA 0.654 4.994 4.340 0.001 0.000 0.188 1155 R C -0.898 174.973 176.300 -0.715 0.000 1.015 1155 R CA 0.596 56.428 56.100 -0.445 0.000 1.132 1155 R CB 0.402 30.606 30.300 -0.161 0.000 1.134 1155 R HN 0.729 nan 8.270 nan 0.000 0.560 1156 A N 0.101 122.412 122.820 -0.848 0.000 2.605 1156 A HA 0.712 5.033 4.320 0.001 0.000 0.294 1156 A C -1.718 175.852 177.584 -0.023 0.000 1.062 1156 A CA -0.411 51.362 52.037 -0.441 0.000 0.682 1156 A CB 1.279 20.147 19.000 -0.219 0.000 1.278 1156 A HN 0.340 nan 8.150 nan 0.000 0.410 1157 A N 0.192 123.137 122.820 0.208 0.000 2.311 1157 A HA 0.784 5.105 4.320 0.001 0.000 0.334 1157 A C -0.640 177.021 177.584 0.128 0.000 1.139 1157 A CA -0.518 51.688 52.037 0.281 0.000 0.830 1157 A CB 1.097 20.291 19.000 0.323 0.000 1.234 1157 A HN 1.538 nan 8.150 nan 0.000 0.483 1158 V N 1.741 121.719 119.914 0.106 0.000 2.398 1158 V HA 0.597 4.718 4.120 0.001 0.000 0.286 1158 V C 0.357 176.482 176.094 0.050 0.000 1.026 1158 V CA -0.129 62.205 62.300 0.058 0.000 0.868 1158 V CB 1.142 32.991 31.823 0.043 0.000 0.982 1158 V HN 1.035 nan 8.190 nan 0.000 0.443 1159 S N 3.448 119.169 115.700 0.036 0.000 2.536 1159 S HA 0.735 5.206 4.470 0.001 0.000 0.298 1159 S C -0.493 174.116 174.600 0.014 0.000 1.083 1159 S CA -0.496 57.720 58.200 0.027 0.000 0.995 1159 S CB 2.146 65.365 63.200 0.030 0.000 1.058 1159 S HN 0.633 nan 8.310 nan 0.000 0.488 1160 T N 4.400 118.958 114.554 0.007 0.000 2.815 1160 T HA 0.528 4.879 4.350 0.001 0.000 0.289 1160 T C -0.441 174.257 174.700 -0.002 0.000 1.000 1160 T CA -0.715 61.386 62.100 0.002 0.000 0.958 1160 T CB 0.821 69.689 68.868 0.000 0.000 0.944 1160 T HN 0.743 nan 8.240 nan 0.000 0.442 1161 R N 2.003 122.502 120.500 -0.001 0.000 3.416 1161 R HA -0.236 4.104 4.340 0.001 0.000 0.263 1161 R C 1.146 177.443 176.300 -0.006 0.000 1.053 1161 R CA 0.924 57.022 56.100 -0.003 0.000 0.705 1161 R CB -2.420 27.877 30.300 -0.006 0.000 1.124 1161 R HN 1.420 nan 8.270 nan 0.000 0.444 1162 G N -2.065 106.734 108.800 -0.001 0.000 2.199 1162 G HA2 -0.342 3.619 3.960 0.001 0.000 0.254 1162 G HA3 -0.342 3.619 3.960 0.001 0.000 0.254 1162 G C 0.124 175.015 174.900 -0.015 0.000 0.982 1162 G CA 0.112 45.211 45.100 -0.002 0.000 0.632 1162 G HN 0.301 nan 8.290 nan 0.000 0.529 1163 V N 1.469 121.372 119.914 -0.019 0.000 2.370 1163 V HA 0.753 4.874 4.120 0.001 0.000 0.283 1163 V C 0.806 176.895 176.094 -0.009 0.000 1.023 1163 V CA -0.415 61.866 62.300 -0.032 0.000 0.857 1163 V CB 1.378 33.178 31.823 -0.039 0.000 0.985 1163 V HN 1.093 nan 8.190 nan 0.000 0.443 1164 A N 4.086 126.904 122.820 -0.003 0.000 2.454 1164 A HA 0.606 4.926 4.320 0.001 0.000 0.260 1164 A C 0.937 178.530 177.584 0.015 0.000 1.106 1164 A CA 0.439 52.491 52.037 0.025 0.000 0.780 1164 A CB 0.384 19.411 19.000 0.044 0.000 1.044 1164 A HN 1.119 nan 8.150 nan 0.000 0.498 1165 K N 0.965 121.381 120.400 0.026 0.000 2.436 1165 K HA 0.700 5.020 4.320 0.001 0.000 0.198 1165 K C 0.588 177.207 176.600 0.031 0.000 1.174 1165 K CA 1.427 57.724 56.287 0.018 0.000 0.951 1165 K CB 0.137 32.644 32.500 0.013 0.000 1.040 1165 K HN 2.115 nan 8.250 nan 0.000 0.536 1166 A N -0.171 122.682 122.820 0.055 0.000 2.587 1166 A HA 0.731 5.052 4.320 0.001 0.000 0.293 1166 A C -1.008 176.657 177.584 0.136 0.000 1.087 1166 A CA -0.004 52.081 52.037 0.079 0.000 0.692 1166 A CB 1.493 20.530 19.000 0.062 0.000 1.291 1166 A HN 1.048 nan 8.150 nan 0.000 0.407 1167 V N -1.131 118.897 119.914 0.190 0.000 2.789 1167 V HA 0.765 4.885 4.120 0.001 0.000 0.311 1167 V C -1.396 174.881 176.094 0.305 0.000 1.073 1167 V CA -0.862 61.636 62.300 0.331 0.000 0.921 1167 V CB 2.020 34.088 31.823 0.407 0.000 1.009 1167 V HN 0.720 nan 8.190 nan 0.000 0.426 1168 D N 3.675 124.223 120.400 0.246 0.000 2.192 1168 D HA 0.717 5.358 4.640 0.001 0.000 0.246 1168 D C -0.680 175.723 176.300 0.171 0.000 1.042 1168 D CA 0.260 54.312 54.000 0.086 0.000 0.847 1168 D CB 2.139 42.921 40.800 -0.030 0.000 1.186 1168 D HN 0.700 nan 8.370 nan 0.000 0.461 1169 F N -0.907 119.063 119.950 0.035 0.000 2.643 1169 F HA 0.615 5.142 4.527 0.001 0.000 0.314 1169 F C -1.069 174.723 175.800 -0.014 0.000 1.096 1169 F CA -1.314 56.706 58.000 0.034 0.000 0.953 1169 F CB 0.822 39.886 39.000 0.107 0.000 1.345 1169 F HN 0.053 nan 8.300 nan 0.000 0.468 1170 I N 3.760 124.449 120.570 0.197 0.000 2.297 1170 I HA 0.340 4.511 4.170 0.001 0.000 0.291 1170 I C -2.285 173.925 176.117 0.155 0.000 1.033 1170 I CA -2.065 59.261 61.300 0.042 0.000 1.253 1170 I CB 1.236 39.224 38.000 -0.019 0.000 1.396 1170 I HN 0.323 nan 8.210 nan 0.000 0.476 1171 P HA 0.004 nan 4.420 nan 0.000 0.274 1171 P C 0.846 178.149 177.300 0.004 0.000 1.231 1171 P CA -0.181 63.026 63.100 0.178 0.000 0.790 1171 P CB 1.764 33.518 31.700 0.090 0.000 0.951 1172 V N 1.892 121.805 119.914 -0.001 0.000 2.594 1172 V HA -0.241 3.880 4.120 0.001 0.000 0.253 1172 V C 1.964 177.985 176.094 -0.122 0.000 1.069 1172 V CA 2.090 64.329 62.300 -0.102 0.000 1.082 1172 V CB -1.090 30.698 31.823 -0.058 0.000 0.680 1172 V HN 0.450 nan 8.190 nan 0.000 0.469 1173 E N -0.093 120.065 120.200 -0.070 0.000 2.110 1173 E HA -0.169 4.181 4.350 0.001 0.000 0.193 1173 E C 2.426 178.960 176.600 -0.110 0.000 0.988 1173 E CA 1.502 57.858 56.400 -0.074 0.000 0.804 1173 E CB -0.476 29.199 29.700 -0.043 0.000 0.745 1173 E HN 0.603 nan 8.360 nan 0.000 0.458 1174 S N -0.445 115.177 115.700 -0.130 0.000 2.383 1174 S HA -0.098 4.373 4.470 0.001 0.000 0.227 1174 S C 1.671 176.124 174.600 -0.246 0.000 1.026 1174 S CA 0.559 58.665 58.200 -0.157 0.000 0.981 1174 S CB -0.093 63.020 63.200 -0.144 0.000 0.818 1174 S HN 0.061 nan 8.310 nan 0.000 0.472 1175 L N 1.967 122.969 121.223 -0.370 0.000 1.989 1175 L HA -0.048 4.293 4.340 0.001 0.000 0.211 1175 L C 2.473 179.122 176.870 -0.368 0.000 1.071 1175 L CA 1.915 56.374 54.840 -0.635 0.000 0.749 1175 L CB -1.228 40.266 42.059 -0.941 0.000 0.890 1175 L HN 0.377 nan 8.230 nan 0.000 0.431 1176 E N -1.282 118.788 120.200 -0.217 0.000 2.085 1176 E HA -0.218 4.133 4.350 0.001 0.000 0.194 1176 E C 2.030 178.574 176.600 -0.094 0.000 0.994 1176 E CA 1.753 58.090 56.400 -0.106 0.000 0.801 1176 E CB -0.230 29.429 29.700 -0.068 0.000 0.743 1176 E HN 0.479 nan 8.360 nan 0.000 0.453 1177 T N 0.321 114.809 114.554 -0.109 0.000 2.746 1177 T HA -0.131 4.220 4.350 0.001 0.000 0.267 1177 T C 2.007 176.651 174.700 -0.093 0.000 1.039 1177 T CA 1.628 63.678 62.100 -0.083 0.000 1.142 1177 T CB -0.378 68.442 68.868 -0.079 0.000 0.866 1177 T HN 0.183 nan 8.240 nan 0.000 0.444 1178 T N 2.299 116.763 114.554 -0.151 0.000 2.759 1178 T HA 0.055 4.405 4.350 0.001 0.000 0.269 1178 T C 1.136 175.679 174.700 -0.261 0.000 1.042 1178 T CA 0.849 62.843 62.100 -0.178 0.000 1.140 1178 T CB -0.276 68.465 68.868 -0.211 0.000 0.864 1178 T HN 0.328 nan 8.240 nan 0.000 0.455 1179 M N 0.000 119.437 119.600 -0.272 0.000 2.572 1179 M HA 0.000 4.481 4.480 0.001 0.000 0.227 1179 M CA 0.000 55.207 55.300 -0.154 0.000 0.988 1179 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 1179 M HN 0.000 nan 8.290 nan 0.000 0.411