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 2d3q_1_B DATA FIRST_RESID 4 DATA SEQUENCE TILPLNNIQG DILVGMKKQK ERFVFFQVND ATSFKTALKT YVPERITSAA DATA SEQUENCE ILISDPSQQP LAFVNLGFSN TGLQALGITD DLGDAQFPDG QFADAANLGD DATA SEQUENCE DLSQWVAPFT GTTIHGVFLI GSDQDDFLDQ FTDDISSTFG SSITQVQALS DATA SEQUENCE GSARPGDQAG HEHFGFLDGI SQPSVTGWET TVFPGQAVVP PGIILTGRDG DATA SEQUENCE DTGTRPSWAL DGSFMAFRHF QQKVPEFNAY TLANAIPANS AGNLTQQEGA DATA SEQUENCE EFLGARMFGR WKSGAPIDLA PTADDPALGA DPQRNNNFDY SDTLTDETRC DATA SEQUENCE PFGAHVRKTN PRQDLGGPVD TFHAMRSSIP YGPETSDAEL ASGVTAQDRG DATA SEQUENCE LLFVEYQSII GNGFRFQQIN WANNANFPFS KPITPGIEPI IGQTTPRTVG DATA SEQUENCE GLDPLNQNET FTVPLFVIPK GGEYFFLPSI SALTATIAA 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.722 174.700 0.036 0.000 1.109 4 T CA 0.000 62.115 62.100 0.025 0.000 1.349 4 T CB 0.000 68.879 68.868 0.019 0.000 0.612 5 I N 1.648 122.237 120.570 0.032 0.000 2.437 5 I HA 0.359 4.530 4.170 0.002 0.000 0.279 5 I C -0.473 175.662 176.117 0.031 0.000 1.028 5 I CA -0.869 60.456 61.300 0.041 0.000 1.142 5 I CB 1.306 39.325 38.000 0.031 0.000 1.266 5 I HN 0.479 nan 8.210 nan 0.000 0.461 6 L N 8.339 129.586 121.223 0.040 0.000 2.462 6 L HA 0.161 4.503 4.340 0.002 0.000 0.272 6 L C -1.522 175.335 176.870 -0.021 0.000 1.166 6 L CA -1.323 53.510 54.840 -0.012 0.000 0.880 6 L CB 0.224 42.245 42.059 -0.063 0.000 1.142 6 L HN 0.366 nan 8.230 nan 0.000 0.473 7 P HA 0.013 nan 4.420 nan 0.000 0.238 7 P C 1.001 178.261 177.300 -0.065 0.000 1.729 7 P CA -0.002 63.076 63.100 -0.037 0.000 1.055 7 P CB 0.063 31.744 31.700 -0.032 0.000 1.980 8 L N 0.382 121.567 121.223 -0.064 0.000 2.357 8 L HA -0.218 4.123 4.340 0.002 0.000 0.220 8 L C 1.989 178.805 176.870 -0.089 0.000 1.123 8 L CA 1.317 56.098 54.840 -0.098 0.000 0.782 8 L CB -0.894 41.146 42.059 -0.031 0.000 0.910 8 L HN 0.246 nan 8.230 nan 0.000 0.442 9 N N -0.271 118.394 118.700 -0.059 0.000 2.336 9 N HA -0.099 4.643 4.740 0.002 0.000 0.189 9 N C 1.165 176.642 175.510 -0.056 0.000 1.113 9 N CA 0.349 53.368 53.050 -0.053 0.000 0.858 9 N CB 0.125 38.594 38.487 -0.031 0.000 0.970 9 N HN 0.164 nan 8.380 nan 0.000 0.471 10 N N -0.572 118.089 118.700 -0.065 0.000 2.159 10 N HA 0.185 4.926 4.740 0.002 0.000 0.217 10 N C -1.152 174.307 175.510 -0.084 0.000 1.223 10 N CA -0.063 52.953 53.050 -0.056 0.000 0.896 10 N CB 0.462 38.929 38.487 -0.035 0.000 1.064 10 N HN -0.021 nan 8.380 nan 0.000 0.518 11 I N 1.787 122.282 120.570 -0.125 0.000 2.336 11 I HA 0.246 4.417 4.170 0.002 0.000 0.292 11 I C 0.226 176.228 176.117 -0.191 0.000 0.991 11 I CA -0.504 60.691 61.300 -0.174 0.000 1.227 11 I CB 1.177 39.039 38.000 -0.230 0.000 1.366 11 I HN 0.085 nan 8.210 nan 0.000 0.466 12 Q N 4.077 123.757 119.800 -0.200 0.000 2.244 12 Q HA 0.045 4.386 4.340 0.002 0.000 0.278 12 Q C 1.431 177.283 176.000 -0.247 0.000 1.093 12 Q CA 0.228 55.914 55.803 -0.196 0.000 0.916 12 Q CB 0.856 29.477 28.738 -0.193 0.000 1.159 12 Q HN 0.927 nan 8.270 nan 0.000 0.384 13 G N 3.440 112.106 108.800 -0.223 0.000 2.547 13 G HA2 -0.367 3.594 3.960 0.002 0.000 0.221 13 G HA3 -0.367 3.594 3.960 0.002 0.000 0.221 13 G C 0.960 175.718 174.900 -0.235 0.000 1.140 13 G CA 1.319 46.270 45.100 -0.248 0.000 0.760 13 G HN 0.719 nan 8.290 nan 0.000 0.583 14 D N 0.027 120.307 120.400 -0.200 0.000 2.218 14 D HA -0.041 4.600 4.640 0.002 0.000 0.204 14 D C 2.488 178.626 176.300 -0.269 0.000 0.976 14 D CA 0.485 54.410 54.000 -0.124 0.000 0.853 14 D CB -0.137 40.672 40.800 0.016 0.000 0.939 14 D HN 0.451 nan 8.370 nan 0.000 0.481 15 I N -0.391 119.824 120.570 -0.592 0.000 2.090 15 I HA -0.221 3.951 4.170 0.002 0.000 0.236 15 I C 2.217 178.109 176.117 -0.376 0.000 1.064 15 I CA 0.726 61.507 61.300 -0.865 0.000 1.324 15 I CB -0.250 37.300 38.000 -0.751 0.000 1.044 15 I HN 0.108 nan 8.210 nan 0.000 0.399 16 L N -0.351 120.663 121.223 -0.348 0.000 2.127 16 L HA -0.022 4.319 4.340 0.002 0.000 0.203 16 L C 1.979 178.711 176.870 -0.229 0.000 1.080 16 L CA 1.508 56.142 54.840 -0.343 0.000 0.768 16 L CB 0.086 41.792 42.059 -0.589 0.000 0.924 16 L HN -0.015 nan 8.230 nan 0.000 0.444 17 V N -0.955 118.851 119.914 -0.180 0.000 2.788 17 V HA 0.489 4.610 4.120 0.002 0.000 0.241 17 V C 0.836 176.950 176.094 0.034 0.000 1.083 17 V CA 0.435 62.727 62.300 -0.013 0.000 1.103 17 V CB -0.599 31.209 31.823 -0.025 0.000 0.800 17 V HN 0.470 nan 8.190 nan 0.000 0.476 18 G N 0.251 109.045 108.800 -0.009 0.000 3.190 18 G HA2 -0.185 3.776 3.960 0.002 0.000 0.686 18 G HA3 -0.185 3.776 3.960 0.002 0.000 0.686 18 G C 0.056 174.978 174.900 0.037 0.000 1.033 18 G CA 0.116 45.247 45.100 0.052 0.000 0.797 18 G HN 0.075 nan 8.290 nan 0.000 0.567 19 M N 1.106 120.739 119.600 0.055 0.000 2.106 19 M HA -0.079 4.402 4.480 0.002 0.000 0.259 19 M C 1.824 178.222 176.300 0.163 0.000 1.068 19 M CA 2.330 57.696 55.300 0.110 0.000 1.100 19 M CB -0.390 32.316 32.600 0.176 0.000 1.351 19 M HN 0.778 nan 8.290 nan 0.000 0.404 20 K N 0.092 120.571 120.400 0.131 0.000 3.069 20 K HA -0.135 4.186 4.320 0.002 0.000 0.267 20 K C -0.682 175.993 176.600 0.124 0.000 1.082 20 K CA 0.537 56.898 56.287 0.123 0.000 0.782 20 K CB -1.107 31.463 32.500 0.116 0.000 1.230 20 K HN 0.175 nan 8.250 nan 0.000 0.488 21 K N 0.702 121.172 120.400 0.116 0.000 2.087 21 K HA 0.193 4.515 4.320 0.002 0.000 0.255 21 K C 1.282 177.914 176.600 0.053 0.000 0.988 21 K CA -0.270 56.059 56.287 0.070 0.000 0.915 21 K CB 0.786 33.295 32.500 0.015 0.000 1.043 21 K HN 0.136 nan 8.250 nan 0.000 0.457 22 Q N 0.720 120.544 119.800 0.040 0.000 2.084 22 Q HA -0.117 4.225 4.340 0.002 0.000 0.202 22 Q C -0.126 175.898 176.000 0.042 0.000 0.978 22 Q CA 1.490 57.319 55.803 0.042 0.000 0.844 22 Q CB 0.195 28.954 28.738 0.035 0.000 0.898 22 Q HN 0.197 nan 8.270 nan 0.000 0.426 23 K N 0.536 120.949 120.400 0.022 0.000 2.267 23 K HA 0.473 4.795 4.320 0.002 0.000 0.246 23 K C -0.923 175.667 176.600 -0.017 0.000 0.954 23 K CA -0.410 55.888 56.287 0.018 0.000 0.824 23 K CB 2.186 34.691 32.500 0.009 0.000 1.167 23 K HN 0.009 nan 8.250 nan 0.000 0.431 24 E N 0.915 121.100 120.200 -0.025 0.000 2.375 24 E HA 0.398 4.749 4.350 0.002 0.000 0.280 24 E C -1.548 174.949 176.600 -0.172 0.000 0.972 24 E CA -0.640 55.679 56.400 -0.136 0.000 0.782 24 E CB 2.462 32.069 29.700 -0.154 0.000 1.229 24 E HN 0.496 nan 8.360 nan 0.000 0.439 25 R N 3.870 124.175 120.500 -0.324 0.000 2.574 25 R HA 0.426 4.767 4.340 0.002 0.000 0.288 25 R C -1.726 174.282 176.300 -0.486 0.000 1.004 25 R CA -0.528 55.422 56.100 -0.251 0.000 0.895 25 R CB 0.909 31.144 30.300 -0.107 0.000 1.191 25 R HN 0.341 nan 8.270 nan 0.000 0.444 26 F N 3.845 123.678 119.950 -0.195 0.000 2.361 26 F HA 0.333 4.862 4.527 0.002 0.000 0.364 26 F C -0.076 175.392 175.800 -0.553 0.000 1.117 26 F CA -0.794 56.915 58.000 -0.484 0.000 1.071 26 F CB 1.992 40.567 39.000 -0.708 0.000 1.188 26 F HN 0.073 nan 8.300 nan 0.000 0.464 27 V N 5.253 124.997 119.914 -0.283 0.000 2.304 27 V HA 0.212 4.333 4.120 0.002 0.000 0.269 27 V C -0.233 175.804 176.094 -0.096 0.000 1.036 27 V CA -0.717 61.520 62.300 -0.104 0.000 0.840 27 V CB -0.293 31.555 31.823 0.040 0.000 1.036 27 V HN 0.405 nan 8.190 nan 0.000 0.466 28 F N 6.411 126.421 119.950 0.100 0.000 2.427 28 F HA 0.620 5.148 4.527 0.002 0.000 0.352 28 F C 0.159 176.004 175.800 0.076 0.000 1.100 28 F CA -0.425 57.570 58.000 -0.009 0.000 1.191 28 F CB 0.564 39.476 39.000 -0.147 0.000 1.128 28 F HN 0.526 nan 8.300 nan 0.000 0.533 29 F N 0.384 120.413 119.950 0.131 0.000 2.664 29 F HA 0.712 5.240 4.527 0.002 0.000 0.317 29 F C -1.468 174.364 175.800 0.054 0.000 1.108 29 F CA -1.437 56.612 58.000 0.081 0.000 0.957 29 F CB 1.595 40.659 39.000 0.107 0.000 1.365 29 F HN 0.476 nan 8.300 nan 0.000 0.475 30 Q N 1.020 120.942 119.800 0.203 0.000 2.375 30 Q HA 0.718 5.060 4.340 0.002 0.000 0.271 30 Q C -1.869 174.393 176.000 0.437 0.000 1.074 30 Q CA -1.260 54.646 55.803 0.171 0.000 0.808 30 Q CB 2.482 31.178 28.738 -0.070 0.000 1.327 30 Q HN 0.660 nan 8.270 nan 0.000 0.441 31 V N 3.448 123.660 119.914 0.497 0.000 2.455 31 V HA 0.052 4.174 4.120 0.002 0.000 0.273 31 V C 0.353 176.531 176.094 0.141 0.000 1.045 31 V CA -0.362 62.026 62.300 0.146 0.000 0.976 31 V CB 0.618 32.307 31.823 -0.223 0.000 0.993 31 V HN 0.857 nan 8.190 nan 0.000 0.475 32 N N 2.580 121.365 118.700 0.143 0.000 2.432 32 N HA 0.036 4.777 4.740 0.002 0.000 0.174 32 N C 0.283 175.848 175.510 0.093 0.000 1.037 32 N CA 0.479 53.599 53.050 0.116 0.000 0.892 32 N CB 0.503 39.061 38.487 0.119 0.000 1.049 32 N HN 0.769 nan 8.380 nan 0.000 0.442 33 D N -0.166 120.303 120.400 0.114 0.000 2.616 33 D HA 0.341 4.983 4.640 0.002 0.000 0.238 33 D C 0.377 176.764 176.300 0.145 0.000 1.354 33 D CA -0.344 53.720 54.000 0.107 0.000 0.970 33 D CB 1.743 42.609 40.800 0.110 0.000 1.369 33 D HN -0.023 nan 8.370 nan 0.000 0.585 34 A N 3.039 125.915 122.820 0.093 0.000 1.859 34 A HA -0.210 4.111 4.320 0.002 0.000 0.217 34 A C 2.037 179.732 177.584 0.185 0.000 1.198 34 A CA 2.849 54.957 52.037 0.119 0.000 0.629 34 A CB -1.092 17.932 19.000 0.040 0.000 0.830 34 A HN 0.705 nan 8.150 nan 0.000 0.446 35 T N -2.060 112.565 114.554 0.118 0.000 2.720 35 T HA -0.157 4.194 4.350 0.002 0.000 0.268 35 T C 2.022 176.795 174.700 0.121 0.000 1.037 35 T CA 1.903 64.064 62.100 0.102 0.000 1.144 35 T CB -0.820 68.084 68.868 0.061 0.000 0.864 35 T HN 0.349 nan 8.240 nan 0.000 0.444 36 S N 1.529 117.311 115.700 0.137 0.000 2.353 36 S HA -0.054 4.417 4.470 0.002 0.000 0.222 36 S C 1.516 176.229 174.600 0.190 0.000 1.035 36 S CA 1.357 59.638 58.200 0.134 0.000 1.025 36 S CB -0.840 62.448 63.200 0.146 0.000 0.902 36 S HN 0.526 nan 8.310 nan 0.000 0.440 37 F N 2.521 122.556 119.950 0.142 0.000 2.091 37 F HA -0.202 4.326 4.527 0.002 0.000 0.299 37 F C 2.062 177.999 175.800 0.228 0.000 1.103 37 F CA 1.612 59.749 58.000 0.230 0.000 1.228 37 F CB -0.263 38.848 39.000 0.185 0.000 0.984 37 F HN 0.051 nan 8.300 nan 0.000 0.477 38 K N -0.624 119.893 120.400 0.194 0.000 2.057 38 K HA -0.123 4.198 4.320 0.002 0.000 0.206 38 K C 1.983 178.575 176.600 -0.014 0.000 1.050 38 K CA 1.939 58.268 56.287 0.070 0.000 0.935 38 K CB -0.619 31.946 32.500 0.107 0.000 0.715 38 K HN 0.218 nan 8.250 nan 0.000 0.439 39 T N 0.955 115.509 114.554 -0.001 0.000 2.720 39 T HA -0.177 4.175 4.350 0.002 0.000 0.268 39 T C 1.978 176.625 174.700 -0.089 0.000 1.037 39 T CA 1.475 63.556 62.100 -0.031 0.000 1.144 39 T CB -0.298 68.559 68.868 -0.017 0.000 0.864 39 T HN 0.341 nan 8.240 nan 0.000 0.444 40 A N 1.034 123.768 122.820 -0.142 0.000 1.898 40 A HA 0.023 4.345 4.320 0.002 0.000 0.216 40 A C 2.233 179.621 177.584 -0.327 0.000 1.181 40 A CA 1.124 52.963 52.037 -0.330 0.000 0.620 40 A CB -0.793 17.893 19.000 -0.523 0.000 0.819 40 A HN 0.391 nan 8.150 nan 0.000 0.442 41 L N 0.036 121.157 121.223 -0.169 0.000 2.042 41 L HA -0.171 4.171 4.340 0.002 0.000 0.210 41 L C 2.257 179.151 176.870 0.040 0.000 1.076 41 L CA 2.244 57.090 54.840 0.010 0.000 0.749 41 L CB -0.495 41.524 42.059 -0.067 0.000 0.893 41 L HN 0.356 nan 8.230 nan 0.000 0.432 42 K N -1.490 118.903 120.400 -0.012 0.000 2.113 42 K HA -0.188 4.133 4.320 0.002 0.000 0.208 42 K C 1.895 178.488 176.600 -0.011 0.000 1.047 42 K CA 2.023 58.307 56.287 -0.004 0.000 0.928 42 K CB -0.400 32.088 32.500 -0.020 0.000 0.716 42 K HN 0.410 nan 8.250 nan 0.000 0.446 43 T N -0.139 114.390 114.554 -0.043 0.000 2.809 43 T HA -0.119 4.233 4.350 0.002 0.000 0.260 43 T C 1.518 176.194 174.700 -0.040 0.000 1.039 43 T CA 0.871 62.935 62.100 -0.059 0.000 1.141 43 T CB -0.347 68.458 68.868 -0.104 0.000 0.869 43 T HN 0.237 nan 8.240 nan 0.000 0.437 44 Y N 1.995 122.201 120.300 -0.157 0.000 2.181 44 Y HA -0.176 4.375 4.550 0.002 0.000 0.288 44 Y C 2.252 178.169 175.900 0.028 0.000 1.146 44 Y CA 0.884 58.929 58.100 -0.091 0.000 1.164 44 Y CB -0.571 37.835 38.460 -0.090 0.000 0.982 44 Y HN -0.048 nan 8.280 nan 0.000 0.515 45 V N 2.107 122.109 119.914 0.147 0.000 2.220 45 V HA -0.271 3.851 4.120 0.002 0.000 0.246 45 V C -0.241 175.838 176.094 -0.024 0.000 1.049 45 V CA 2.553 64.909 62.300 0.092 0.000 1.003 45 V CB -2.166 29.733 31.823 0.127 0.000 0.634 45 V HN 0.358 nan 8.190 nan 0.000 0.444 46 P HA -0.178 nan 4.420 nan 0.000 0.221 46 P C 1.406 178.660 177.300 -0.077 0.000 1.145 46 P CA 1.566 64.641 63.100 -0.042 0.000 0.795 46 P CB 0.207 31.887 31.700 -0.033 0.000 0.775 47 E N -0.796 119.324 120.200 -0.132 0.000 2.102 47 E HA -0.009 4.343 4.350 0.002 0.000 0.190 47 E C 1.890 178.362 176.600 -0.214 0.000 0.971 47 E CA 0.455 56.749 56.400 -0.176 0.000 0.821 47 E CB 0.312 29.877 29.700 -0.225 0.000 0.777 47 E HN -0.009 nan 8.360 nan 0.000 0.460 48 R N -0.393 119.897 120.500 -0.351 0.000 2.453 48 R HA 0.189 4.530 4.340 0.002 0.000 0.233 48 R C -0.153 176.092 176.300 -0.092 0.000 0.895 48 R CA -0.227 55.702 56.100 -0.286 0.000 1.028 48 R CB 0.376 30.276 30.300 -0.666 0.000 1.255 48 R HN 0.054 nan 8.270 nan 0.000 0.571 49 I N 2.549 123.088 120.570 -0.052 0.000 2.505 49 I HA 0.001 4.173 4.170 0.002 0.000 0.287 49 I C 0.230 176.344 176.117 -0.005 0.000 1.104 49 I CA 0.451 61.769 61.300 0.029 0.000 1.387 49 I CB 0.721 38.757 38.000 0.060 0.000 1.404 49 I HN -0.128 nan 8.210 nan 0.000 0.528 50 T N 5.951 120.501 114.554 -0.006 0.000 2.794 50 T HA 0.311 4.662 4.350 0.002 0.000 0.296 50 T C 0.548 175.175 174.700 -0.123 0.000 0.949 50 T CA -0.605 61.457 62.100 -0.063 0.000 1.101 50 T CB 0.428 69.238 68.868 -0.097 0.000 0.905 50 T HN 0.720 nan 8.240 nan 0.000 0.516 51 S N 2.348 117.972 115.700 -0.127 0.000 2.681 51 S HA 0.584 5.056 4.470 0.002 0.000 0.270 51 S C 1.741 176.229 174.600 -0.187 0.000 1.209 51 S CA -0.437 57.680 58.200 -0.139 0.000 0.988 51 S CB 0.903 64.042 63.200 -0.102 0.000 1.006 51 S HN 0.710 nan 8.310 nan 0.000 0.558 52 A N 0.882 123.588 122.820 -0.191 0.000 1.969 52 A HA 0.223 4.545 4.320 0.002 0.000 0.218 52 A C 2.349 179.851 177.584 -0.137 0.000 1.169 52 A CA 1.605 53.517 52.037 -0.208 0.000 0.635 52 A CB -1.697 17.137 19.000 -0.277 0.000 0.810 52 A HN 1.300 nan 8.150 nan 0.000 0.445 53 A N 0.628 123.386 122.820 -0.103 0.000 1.851 53 A HA -0.142 4.179 4.320 0.002 0.000 0.216 53 A C 1.989 179.532 177.584 -0.068 0.000 1.195 53 A CA 1.759 53.764 52.037 -0.053 0.000 0.622 53 A CB -0.618 18.357 19.000 -0.043 0.000 0.831 53 A HN 0.412 nan 8.150 nan 0.000 0.444 54 I N 0.120 120.627 120.570 -0.104 0.000 2.194 54 I HA -0.261 3.911 4.170 0.002 0.000 0.246 54 I C 2.500 178.511 176.117 -0.177 0.000 1.093 54 I CA 1.302 62.533 61.300 -0.114 0.000 1.355 54 I CB -1.462 36.459 38.000 -0.131 0.000 1.046 54 I HN 0.317 nan 8.210 nan 0.000 0.413 55 L N 0.666 121.722 121.223 -0.277 0.000 2.046 55 L HA -0.201 4.141 4.340 0.002 0.000 0.208 55 L C 2.601 179.405 176.870 -0.109 0.000 1.077 55 L CA 1.579 56.229 54.840 -0.316 0.000 0.747 55 L CB -0.482 41.381 42.059 -0.326 0.000 0.896 55 L HN 0.296 nan 8.230 nan 0.000 0.432 56 I N -2.905 117.645 120.570 -0.034 0.000 2.876 56 I HA 0.005 4.176 4.170 0.002 0.000 0.264 56 I C 1.745 177.874 176.117 0.020 0.000 1.204 56 I CA 0.005 61.325 61.300 0.035 0.000 1.485 56 I CB -0.429 37.635 38.000 0.107 0.000 1.103 56 I HN 0.164 nan 8.210 nan 0.000 0.446 57 S N 1.723 117.424 115.700 0.002 0.000 2.580 57 S HA -0.060 4.412 4.470 0.002 0.000 0.266 57 S C 0.281 174.893 174.600 0.019 0.000 1.354 57 S CA -0.435 57.770 58.200 0.008 0.000 1.008 57 S CB 0.453 63.653 63.200 0.000 0.000 0.898 57 S HN 0.390 nan 8.310 nan 0.000 0.555 58 D N 1.697 122.110 120.400 0.021 0.000 2.487 58 D HA 0.082 4.723 4.640 0.002 0.000 0.243 58 D C -1.384 174.939 176.300 0.038 0.000 1.154 58 D CA -1.279 52.737 54.000 0.027 0.000 0.876 58 D CB 0.810 41.621 40.800 0.019 0.000 1.161 58 D HN 0.292 nan 8.370 nan 0.000 0.478 59 P HA -0.182 nan 4.420 nan 0.000 0.219 59 P C 0.974 178.301 177.300 0.045 0.000 1.149 59 P CA 1.170 64.307 63.100 0.062 0.000 0.835 59 P CB 0.203 31.935 31.700 0.053 0.000 0.778 60 S N -1.412 114.306 115.700 0.029 0.000 2.481 60 S HA -0.076 4.395 4.470 0.002 0.000 0.231 60 S C 1.382 175.992 174.600 0.017 0.000 0.996 60 S CA 0.793 59.004 58.200 0.017 0.000 0.942 60 S CB -0.426 62.782 63.200 0.012 0.000 0.768 60 S HN 0.275 nan 8.310 nan 0.000 0.520 61 Q N 0.916 120.732 119.800 0.027 0.000 2.247 61 Q HA 0.250 4.592 4.340 0.002 0.000 0.204 61 Q C -0.091 175.937 176.000 0.047 0.000 0.872 61 Q CA 0.188 56.006 55.803 0.025 0.000 0.951 61 Q CB 0.051 28.800 28.738 0.018 0.000 1.099 61 Q HN 0.660 nan 8.270 nan 0.000 0.501 62 Q N 1.167 121.013 119.800 0.076 0.000 2.235 62 Q HA 0.483 4.824 4.340 0.002 0.000 0.256 62 Q C -2.241 173.805 176.000 0.075 0.000 0.951 62 Q CA -1.873 54.024 55.803 0.157 0.000 0.890 62 Q CB 0.823 29.744 28.738 0.305 0.000 1.279 62 Q HN -0.049 nan 8.270 nan 0.000 0.444 63 P HA 0.079 nan 4.420 nan 0.000 0.275 63 P C 0.314 177.480 177.300 -0.222 0.000 1.266 63 P CA -0.381 62.705 63.100 -0.025 0.000 0.793 63 P CB 0.656 32.395 31.700 0.064 0.000 1.074 64 L N -1.004 120.065 121.223 -0.257 0.000 2.191 64 L HA 0.014 4.355 4.340 0.002 0.000 0.212 64 L C 0.972 177.448 176.870 -0.657 0.000 1.103 64 L CA 1.135 55.635 54.840 -0.567 0.000 0.769 64 L CB -0.501 41.031 42.059 -0.880 0.000 0.908 64 L HN 0.366 nan 8.230 nan 0.000 0.438 65 A N -1.264 121.078 122.820 -0.797 0.000 2.549 65 A HA 0.656 4.978 4.320 0.002 0.000 0.297 65 A C -1.314 175.718 177.584 -0.920 0.000 1.061 65 A CA -0.555 50.792 52.037 -1.151 0.000 0.690 65 A CB 0.958 18.968 19.000 -1.649 0.000 1.287 65 A HN -0.067 nan 8.150 nan 0.000 0.402 66 F N 0.584 120.279 119.950 -0.424 0.000 2.397 66 F HA 0.679 5.207 4.527 0.002 0.000 0.331 66 F C 0.235 175.891 175.800 -0.239 0.000 1.090 66 F CA -1.075 56.767 58.000 -0.263 0.000 1.065 66 F CB 1.860 40.761 39.000 -0.165 0.000 1.184 66 F HN 0.261 nan 8.300 nan 0.000 0.499 67 V N 2.539 122.501 119.914 0.080 0.000 2.686 67 V HA 0.479 4.600 4.120 0.002 0.000 0.306 67 V C -0.816 175.339 176.094 0.102 0.000 1.065 67 V CA -0.818 61.538 62.300 0.093 0.000 0.894 67 V CB 1.974 33.921 31.823 0.206 0.000 1.004 67 V HN 0.692 nan 8.190 nan 0.000 0.424 68 N N 2.435 121.177 118.700 0.070 0.000 2.312 68 N HA 0.837 5.579 4.740 0.002 0.000 0.296 68 N C -1.512 173.984 175.510 -0.024 0.000 1.193 68 N CA -0.534 52.523 53.050 0.011 0.000 0.773 68 N CB 2.369 40.834 38.487 -0.037 0.000 1.435 68 N HN 0.626 nan 8.380 nan 0.000 0.484 69 L N 0.039 121.194 121.223 -0.113 0.000 2.436 69 L HA 0.851 5.193 4.340 0.002 0.000 0.268 69 L C -0.478 176.165 176.870 -0.379 0.000 0.974 69 L CA -0.333 54.308 54.840 -0.332 0.000 0.826 69 L CB 1.724 43.584 42.059 -0.332 0.000 1.291 69 L HN 0.568 nan 8.230 nan 0.000 0.406 70 G N 3.051 111.529 108.800 -0.538 0.000 2.571 70 G HA2 0.664 4.626 3.960 0.002 0.000 0.304 70 G HA3 0.664 4.626 3.960 0.002 0.000 0.304 70 G C -1.750 172.909 174.900 -0.401 0.000 1.314 70 G CA -0.391 44.508 45.100 -0.334 0.000 0.975 70 G HN 0.341 nan 8.290 nan 0.000 0.485 71 F N 0.729 120.906 119.950 0.380 0.000 2.538 71 F HA 0.640 5.168 4.527 0.003 0.000 0.325 71 F C 0.950 177.201 175.800 0.752 0.000 1.066 71 F CA -0.682 57.603 58.000 0.475 0.000 0.946 71 F CB 2.531 41.759 39.000 0.380 0.000 1.199 71 F HN 0.552 nan 8.300 nan 0.000 0.473 72 S N 0.315 116.456 115.700 0.735 0.000 2.713 72 S HA 0.272 4.743 4.470 0.002 0.000 0.283 72 S C 0.748 175.533 174.600 0.309 0.000 1.161 72 S CA -0.518 57.924 58.200 0.403 0.000 0.999 72 S CB 1.304 64.538 63.200 0.055 0.000 1.039 72 S HN 0.708 nan 8.310 nan 0.000 0.548 73 N N 1.126 119.664 118.700 -0.271 0.000 2.025 73 N HA -0.190 4.551 4.740 0.002 0.000 0.194 73 N C 1.863 177.393 175.510 0.033 0.000 1.044 73 N CA 2.749 55.670 53.050 -0.215 0.000 0.851 73 N CB -0.886 37.312 38.487 -0.482 0.000 1.036 73 N HN 0.865 nan 8.380 nan 0.000 0.422 74 T N -3.154 111.420 114.554 0.033 0.000 2.849 74 T HA -0.057 4.295 4.350 0.002 0.000 0.270 74 T C 2.002 176.776 174.700 0.123 0.000 1.066 74 T CA 1.224 63.395 62.100 0.118 0.000 1.130 74 T CB -1.253 67.730 68.868 0.190 0.000 0.864 74 T HN 0.299 nan 8.240 nan 0.000 0.481 75 G N 1.906 110.840 108.800 0.223 0.000 2.433 75 G HA2 -0.053 3.909 3.960 0.002 0.000 0.216 75 G HA3 -0.053 3.909 3.960 0.002 0.000 0.216 75 G C 1.512 176.391 174.900 -0.035 0.000 1.186 75 G CA 0.741 45.892 45.100 0.086 0.000 0.779 75 G HN 0.526 nan 8.290 nan 0.000 0.543 76 L N 0.338 121.624 121.223 0.105 0.000 2.131 76 L HA -0.135 4.206 4.340 0.002 0.000 0.210 76 L C 3.230 180.091 176.870 -0.014 0.000 1.092 76 L CA 0.924 55.786 54.840 0.036 0.000 0.759 76 L CB -0.432 41.762 42.059 0.224 0.000 0.903 76 L HN 0.243 nan 8.230 nan 0.000 0.435 77 Q N 0.183 119.983 119.800 -0.000 0.000 2.020 77 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 77 Q C 2.502 178.451 176.000 -0.085 0.000 0.982 77 Q CA 1.803 57.593 55.803 -0.021 0.000 0.838 77 Q CB -0.556 28.178 28.738 -0.007 0.000 0.899 77 Q HN 0.529 nan 8.270 nan 0.000 0.423 78 A N 1.056 123.766 122.820 -0.184 0.000 1.986 78 A HA -0.142 4.179 4.320 0.002 0.000 0.220 78 A C 2.006 179.479 177.584 -0.185 0.000 1.171 78 A CA 1.229 53.113 52.037 -0.256 0.000 0.640 78 A CB -0.591 18.052 19.000 -0.594 0.000 0.811 78 A HN 0.328 nan 8.150 nan 0.000 0.451 79 L N -1.504 119.612 121.223 -0.178 0.000 2.628 79 L HA 0.265 4.606 4.340 0.002 0.000 0.229 79 L C 1.566 178.383 176.870 -0.088 0.000 1.137 79 L CA 0.379 55.142 54.840 -0.130 0.000 0.909 79 L CB -0.193 41.757 42.059 -0.182 0.000 1.137 79 L HN 0.551 nan 8.230 nan 0.000 0.470 80 G N 1.050 109.807 108.800 -0.071 0.000 2.148 80 G HA2 -0.293 3.669 3.960 0.002 0.000 0.254 80 G HA3 -0.293 3.669 3.960 0.002 0.000 0.254 80 G C 0.030 174.904 174.900 -0.043 0.000 0.981 80 G CA -0.160 44.913 45.100 -0.045 0.000 0.670 80 G HN 0.221 nan 8.290 nan 0.000 0.528 81 I N 2.470 123.009 120.570 -0.051 0.000 2.241 81 I HA 0.314 4.485 4.170 0.002 0.000 0.294 81 I C 1.781 177.945 176.117 0.079 0.000 1.145 81 I CA 0.612 61.897 61.300 -0.025 0.000 1.261 81 I CB 0.924 38.870 38.000 -0.090 0.000 1.475 81 I HN 0.254 nan 8.210 nan 0.000 0.533 82 T N -0.349 114.250 114.554 0.075 0.000 3.113 82 T HA 0.098 4.449 4.350 0.002 0.000 0.256 82 T C 0.674 175.454 174.700 0.134 0.000 1.131 82 T CA -0.269 61.887 62.100 0.093 0.000 1.074 82 T CB -0.495 68.408 68.868 0.058 0.000 0.944 82 T HN 0.322 nan 8.240 nan 0.000 0.516 83 D N 2.511 123.027 120.400 0.194 0.000 2.383 83 D HA 0.128 4.769 4.640 0.002 0.000 0.233 83 D C -0.112 176.284 176.300 0.160 0.000 1.233 83 D CA 0.563 54.692 54.000 0.214 0.000 0.881 83 D CB 0.270 41.311 40.800 0.402 0.000 1.212 83 D HN 0.244 nan 8.370 nan 0.000 0.467 84 D N 1.057 121.509 120.400 0.087 0.000 2.373 84 D HA 0.100 4.741 4.640 0.002 0.000 0.227 84 D C 0.799 177.081 176.300 -0.031 0.000 1.091 84 D CA -0.336 53.694 54.000 0.050 0.000 0.840 84 D CB 0.761 41.578 40.800 0.029 0.000 1.060 84 D HN 0.291 nan 8.370 nan 0.000 0.502 85 L N 2.998 124.195 121.223 -0.044 0.000 2.376 85 L HA 0.087 4.428 4.340 0.002 0.000 0.219 85 L C 1.688 178.482 176.870 -0.126 0.000 1.133 85 L CA 0.788 55.499 54.840 -0.215 0.000 0.816 85 L CB -0.260 41.612 42.059 -0.312 0.000 0.933 85 L HN 0.752 nan 8.230 nan 0.000 0.449 86 G N 0.446 109.214 108.800 -0.053 0.000 2.131 86 G HA2 -0.270 3.691 3.960 0.002 0.000 0.223 86 G HA3 -0.270 3.691 3.960 0.002 0.000 0.223 86 G C -0.260 174.594 174.900 -0.075 0.000 0.990 86 G CA 0.179 45.247 45.100 -0.053 0.000 0.671 86 G HN 0.436 nan 8.290 nan 0.000 0.521 87 D N -0.676 119.653 120.400 -0.119 0.000 2.278 87 D HA 0.757 5.399 4.640 0.002 0.000 0.245 87 D C 1.321 177.535 176.300 -0.142 0.000 1.052 87 D CA 0.407 54.256 54.000 -0.251 0.000 0.834 87 D CB 1.185 41.557 40.800 -0.713 0.000 1.194 87 D HN 0.346 nan 8.370 nan 0.000 0.481 88 A N 2.871 125.610 122.820 -0.134 0.000 1.969 88 A HA -0.154 4.168 4.320 0.002 0.000 0.218 88 A C 1.747 179.281 177.584 -0.083 0.000 1.169 88 A CA 1.339 53.325 52.037 -0.085 0.000 0.635 88 A CB -0.259 18.698 19.000 -0.071 0.000 0.810 88 A HN 0.612 nan 8.150 nan 0.000 0.445 89 Q N -2.054 117.658 119.800 -0.146 0.000 2.297 89 Q HA 0.179 4.521 4.340 0.002 0.000 0.203 89 Q C 1.594 177.561 176.000 -0.056 0.000 0.931 89 Q CA 0.617 56.340 55.803 -0.133 0.000 0.885 89 Q CB -0.482 28.075 28.738 -0.302 0.000 0.991 89 Q HN 0.637 nan 8.270 nan 0.000 0.498 90 F N 2.202 122.000 119.950 -0.253 0.000 2.063 90 F HA -0.177 4.352 4.527 0.002 0.000 0.298 90 F C -1.042 174.802 175.800 0.074 0.000 1.109 90 F CA 1.393 59.356 58.000 -0.063 0.000 1.212 90 F CB -1.267 37.643 39.000 -0.149 0.000 0.973 90 F HN 0.103 nan 8.300 nan 0.000 0.480 91 P HA -0.174 nan 4.420 nan 0.000 0.216 91 P C 1.032 178.241 177.300 -0.151 0.000 1.157 91 P CA 2.216 65.230 63.100 -0.145 0.000 0.880 91 P CB -0.086 31.611 31.700 -0.005 0.000 0.791 92 D N -1.705 118.653 120.400 -0.069 0.000 2.347 92 D HA 0.185 4.826 4.640 0.002 0.000 0.213 92 D C 1.169 177.456 176.300 -0.021 0.000 0.985 92 D CA 1.091 55.067 54.000 -0.040 0.000 0.879 92 D CB -0.301 40.489 40.800 -0.017 0.000 0.919 92 D HN 0.151 nan 8.370 nan 0.000 0.526 93 G N 0.948 109.750 108.800 0.003 0.000 2.730 93 G HA2 -0.272 3.690 3.960 0.002 0.000 0.686 93 G HA3 -0.272 3.690 3.960 0.002 0.000 0.686 93 G C 0.308 175.269 174.900 0.101 0.000 1.343 93 G CA -0.013 45.101 45.100 0.023 0.000 0.826 93 G HN 0.159 nan 8.290 nan 0.000 0.582 94 Q N -0.477 119.266 119.800 -0.096 0.000 2.123 94 Q HA -0.026 4.315 4.340 0.002 0.000 0.199 94 Q C 2.335 178.375 176.000 0.067 0.000 0.966 94 Q CA 1.678 57.352 55.803 -0.215 0.000 0.845 94 Q CB -0.137 28.277 28.738 -0.539 0.000 0.907 94 Q HN 0.714 nan 8.270 nan 0.000 0.439 95 F N 1.231 121.099 119.950 -0.138 0.000 2.065 95 F HA -0.197 4.331 4.527 0.002 0.000 0.298 95 F C 1.980 177.550 175.800 -0.384 0.000 1.112 95 F CA 1.621 59.311 58.000 -0.516 0.000 1.212 95 F CB -0.889 37.906 39.000 -0.341 0.000 0.975 95 F HN 0.137 nan 8.300 nan 0.000 0.476 96 A N -1.243 121.452 122.820 -0.208 0.000 2.248 96 A HA -0.138 4.184 4.320 0.002 0.000 0.210 96 A C 1.536 179.019 177.584 -0.168 0.000 1.174 96 A CA 1.682 53.556 52.037 -0.271 0.000 0.750 96 A CB -0.817 18.099 19.000 -0.141 0.000 0.780 96 A HN 0.479 nan 8.150 nan 0.000 0.478 97 D N -1.874 118.480 120.400 -0.075 0.000 2.441 97 D HA 0.369 5.010 4.640 0.002 0.000 0.210 97 D C 1.848 178.150 176.300 0.004 0.000 1.102 97 D CA 0.729 54.747 54.000 0.030 0.000 0.840 97 D CB 0.062 41.015 40.800 0.255 0.000 0.990 97 D HN 0.211 nan 8.370 nan 0.000 0.505 98 A N 0.938 123.697 122.820 -0.103 0.000 1.903 98 A HA -0.151 4.170 4.320 0.002 0.000 0.219 98 A C 2.357 179.905 177.584 -0.060 0.000 1.191 98 A CA 2.353 54.351 52.037 -0.065 0.000 0.638 98 A CB -1.082 17.676 19.000 -0.404 0.000 0.823 98 A HN 0.292 nan 8.150 nan 0.000 0.451 99 A N 0.074 122.803 122.820 -0.152 0.000 1.883 99 A HA -0.244 4.078 4.320 0.002 0.000 0.217 99 A C 1.903 179.446 177.584 -0.069 0.000 1.186 99 A CA 1.744 53.712 52.037 -0.116 0.000 0.624 99 A CB -0.797 18.112 19.000 -0.152 0.000 0.822 99 A HN 0.643 nan 8.150 nan 0.000 0.444 100 N N -0.264 118.399 118.700 -0.060 0.000 2.443 100 N HA -0.075 4.666 4.740 0.002 0.000 0.184 100 N C 1.339 176.822 175.510 -0.045 0.000 1.037 100 N CA 1.157 54.177 53.050 -0.051 0.000 0.896 100 N CB -0.190 38.275 38.487 -0.037 0.000 0.959 100 N HN 0.530 nan 8.380 nan 0.000 0.442 101 L N -0.904 120.316 121.223 -0.005 0.000 2.529 101 L HA 0.182 4.523 4.340 0.002 0.000 0.223 101 L C 1.444 178.309 176.870 -0.007 0.000 1.113 101 L CA 0.294 55.135 54.840 0.000 0.000 0.861 101 L CB 0.148 42.274 42.059 0.111 0.000 1.012 101 L HN 0.136 nan 8.230 nan 0.000 0.461 102 G N -0.409 108.387 108.800 -0.008 0.000 2.176 102 G HA2 -0.227 3.735 3.960 0.002 0.000 0.232 102 G HA3 -0.227 3.735 3.960 0.002 0.000 0.232 102 G C -0.134 174.778 174.900 0.021 0.000 0.986 102 G CA -0.228 44.864 45.100 -0.014 0.000 0.643 102 G HN 0.308 nan 8.290 nan 0.000 0.522 103 D N 0.979 121.422 120.400 0.072 0.000 2.449 103 D HA 0.387 5.028 4.640 0.002 0.000 0.236 103 D C 0.274 176.625 176.300 0.086 0.000 1.149 103 D CA 0.342 54.428 54.000 0.142 0.000 0.878 103 D CB 0.715 41.684 40.800 0.281 0.000 1.198 103 D HN 0.188 nan 8.370 nan 0.000 0.446 104 D N 2.228 122.698 120.400 0.117 0.000 2.441 104 D HA 0.046 4.687 4.640 0.002 0.000 0.221 104 D C 0.695 177.075 176.300 0.133 0.000 1.156 104 D CA -0.423 53.624 54.000 0.079 0.000 0.896 104 D CB 0.459 41.298 40.800 0.065 0.000 1.028 104 D HN 0.156 nan 8.370 nan 0.000 0.509 105 L N 2.919 124.173 121.223 0.052 0.000 2.261 105 L HA -0.174 4.167 4.340 0.002 0.000 0.216 105 L C 2.471 179.423 176.870 0.137 0.000 1.114 105 L CA 1.344 56.205 54.840 0.035 0.000 0.777 105 L CB -0.628 41.361 42.059 -0.116 0.000 0.910 105 L HN 0.447 nan 8.230 nan 0.000 0.440 106 S N -1.887 113.876 115.700 0.105 0.000 2.507 106 S HA -0.133 4.338 4.470 0.002 0.000 0.235 106 S C 1.722 176.403 174.600 0.134 0.000 0.988 106 S CA 0.457 58.718 58.200 0.102 0.000 0.944 106 S CB -0.222 63.015 63.200 0.061 0.000 0.762 106 S HN 0.464 nan 8.310 nan 0.000 0.526 107 Q N -0.306 119.604 119.800 0.183 0.000 2.354 107 Q HA 0.160 4.502 4.340 0.002 0.000 0.203 107 Q C -0.183 175.923 176.000 0.178 0.000 0.933 107 Q CA 0.132 56.026 55.803 0.152 0.000 0.901 107 Q CB -0.163 28.646 28.738 0.119 0.000 1.007 107 Q HN 0.643 nan 8.270 nan 0.000 0.495 108 W N 1.664 122.952 121.300 -0.020 0.000 2.137 108 W HA 0.194 4.856 4.660 0.002 0.000 0.344 108 W C 0.670 177.146 176.519 -0.072 0.000 1.286 108 W CA -0.310 56.993 57.345 -0.070 0.000 1.240 108 W CB 0.323 29.744 29.460 -0.065 0.000 1.141 108 W HN -0.187 nan 8.180 nan 0.000 0.579 109 V N -0.194 119.789 119.914 0.115 0.000 3.160 109 V HA 0.906 5.027 4.120 0.002 0.000 0.310 109 V C -0.050 176.085 176.094 0.068 0.000 1.181 109 V CA -1.826 60.517 62.300 0.072 0.000 1.047 109 V CB 0.826 32.676 31.823 0.045 0.000 1.068 109 V HN 0.787 nan 8.190 nan 0.000 0.441 110 A N 2.152 124.981 122.820 0.015 0.000 2.466 110 A HA 0.636 4.958 4.320 0.002 0.000 0.238 110 A C -1.545 176.006 177.584 -0.056 0.000 1.074 110 A CA -0.527 51.481 52.037 -0.048 0.000 0.774 110 A CB -0.298 18.669 19.000 -0.055 0.000 1.015 110 A HN 0.933 nan 8.150 nan 0.000 0.498 111 P HA 0.270 nan 4.420 nan 0.000 0.257 111 P C -0.321 176.670 177.300 -0.516 0.000 1.737 111 P CA 0.154 63.041 63.100 -0.355 0.000 1.130 111 P CB -0.082 31.393 31.700 -0.375 0.000 1.572 112 F N 0.231 120.051 119.950 -0.217 0.000 2.746 112 F HA 0.055 4.583 4.527 0.002 0.000 0.297 112 F C 1.618 177.252 175.800 -0.276 0.000 1.113 112 F CA 0.499 58.380 58.000 -0.198 0.000 1.367 112 F CB -0.460 38.408 39.000 -0.221 0.000 1.111 112 F HN -0.096 nan 8.300 nan 0.000 0.590 113 T N -0.922 113.424 114.554 -0.346 0.000 4.320 113 T HA 0.589 4.940 4.350 0.002 0.000 0.221 113 T C 0.630 174.925 174.700 -0.676 0.000 0.896 113 T CA 0.328 61.730 62.100 -1.162 0.000 0.928 113 T CB -0.612 67.890 68.868 -0.611 0.000 1.369 113 T HN 0.368 nan 8.240 nan 0.000 0.836 114 G N 0.852 109.457 108.800 -0.326 0.000 2.513 114 G HA2 0.379 4.340 3.960 0.002 0.000 0.182 114 G HA3 0.379 4.340 3.960 0.002 0.000 0.182 114 G C -0.163 174.752 174.900 0.024 0.000 1.190 114 G CA -0.137 44.996 45.100 0.054 0.000 0.987 114 G HN 0.792 nan 8.290 nan 0.000 0.479 115 T N -2.332 112.204 114.554 -0.029 0.000 3.516 115 T HA 0.360 4.712 4.350 0.002 0.000 0.300 115 T C 1.461 176.079 174.700 -0.136 0.000 0.995 115 T CA 1.234 63.296 62.100 -0.065 0.000 0.982 115 T CB -0.007 68.845 68.868 -0.027 0.000 1.199 115 T HN 1.195 nan 8.240 nan 0.000 0.481 116 T N -0.124 114.308 114.554 -0.203 0.000 2.985 116 T HA 0.241 4.592 4.350 0.002 0.000 0.266 116 T C 1.014 175.403 174.700 -0.519 0.000 1.076 116 T CA -0.057 61.853 62.100 -0.317 0.000 1.135 116 T CB -0.384 68.340 68.868 -0.240 0.000 0.890 116 T HN 0.408 nan 8.240 nan 0.000 0.480 117 I N 3.006 123.345 120.570 -0.386 0.000 2.598 117 I HA 0.087 4.259 4.170 0.002 0.000 0.284 117 I C 1.123 177.072 176.117 -0.279 0.000 1.140 117 I CA 0.105 61.201 61.300 -0.341 0.000 1.420 117 I CB 0.259 38.114 38.000 -0.241 0.000 1.387 117 I HN 0.248 nan 8.210 nan 0.000 0.553 118 H N 4.320 123.258 119.070 -0.220 0.000 2.639 118 H HA 0.348 4.905 4.556 0.002 0.000 0.267 118 H C 1.023 176.245 175.328 -0.176 0.000 0.958 118 H CA 0.475 56.417 56.048 -0.177 0.000 1.221 118 H CB 1.257 30.903 29.762 -0.194 0.000 1.446 118 H HN 0.763 nan 8.280 nan 0.000 0.512 119 G N -0.547 107.974 108.800 -0.466 0.000 2.430 119 G HA2 0.399 4.360 3.960 0.002 0.000 0.300 119 G HA3 0.399 4.360 3.960 0.002 0.000 0.300 119 G C -1.781 172.717 174.900 -0.670 0.000 1.330 119 G CA 0.024 44.832 45.100 -0.487 0.000 0.813 119 G HN 0.133 nan 8.290 nan 0.000 0.487 120 V N -0.631 118.887 119.914 -0.661 0.000 2.891 120 V HA 0.754 4.876 4.120 0.002 0.000 0.304 120 V C -1.761 174.048 176.094 -0.475 0.000 1.171 120 V CA -1.005 60.940 62.300 -0.592 0.000 0.943 120 V CB 1.636 32.814 31.823 -1.075 0.000 1.037 120 V HN 0.685 nan 8.190 nan 0.000 0.427 121 F N 6.451 126.275 119.950 -0.211 0.000 2.405 121 F HA 0.672 5.200 4.527 0.003 0.000 0.355 121 F C -0.122 175.511 175.800 -0.278 0.000 1.121 121 F CA -0.528 57.357 58.000 -0.191 0.000 1.112 121 F CB 1.623 40.529 39.000 -0.157 0.000 1.126 121 F HN 0.274 nan 8.300 nan 0.000 0.481 122 L N 5.446 126.612 121.223 -0.095 0.000 2.275 122 L HA 0.467 4.808 4.340 0.002 0.000 0.288 122 L C -0.327 176.431 176.870 -0.188 0.000 1.046 122 L CA -0.129 54.542 54.840 -0.280 0.000 0.805 122 L CB 0.897 42.834 42.059 -0.204 0.000 1.193 122 L HN 0.422 nan 8.230 nan 0.000 0.426 123 I N 2.599 122.997 120.570 -0.287 0.000 2.410 123 I HA 0.538 4.709 4.170 0.002 0.000 0.286 123 I C 0.383 176.359 176.117 -0.236 0.000 1.009 123 I CA -0.413 60.762 61.300 -0.209 0.000 1.111 123 I CB 1.794 39.699 38.000 -0.159 0.000 1.262 123 I HN 0.677 nan 8.210 nan 0.000 0.443 124 G N 3.322 112.006 108.800 -0.194 0.000 2.379 124 G HA2 0.659 4.620 3.960 0.002 0.000 0.327 124 G HA3 0.659 4.620 3.960 0.002 0.000 0.327 124 G C -0.939 173.770 174.900 -0.317 0.000 1.145 124 G CA -0.299 44.708 45.100 -0.157 0.000 0.905 124 G HN 0.518 nan 8.290 nan 0.000 0.466 125 S N -0.062 115.503 115.700 -0.224 0.000 2.636 125 S HA 0.349 4.820 4.470 0.002 0.000 0.268 125 S C -0.553 174.008 174.600 -0.065 0.000 1.159 125 S CA -0.612 57.456 58.200 -0.219 0.000 0.815 125 S CB 1.576 64.707 63.200 -0.115 0.000 1.130 125 S HN 0.438 nan 8.310 nan 0.000 0.471 126 D N 1.073 121.482 120.400 0.015 0.000 2.350 126 D HA 0.138 4.780 4.640 0.002 0.000 0.213 126 D C 0.136 176.466 176.300 0.050 0.000 1.031 126 D CA 0.580 54.606 54.000 0.044 0.000 0.861 126 D CB 0.381 41.213 40.800 0.054 0.000 0.926 126 D HN 0.611 nan 8.370 nan 0.000 0.520 127 Q N -0.257 119.578 119.800 0.058 0.000 2.340 127 Q HA 0.255 4.596 4.340 0.002 0.000 0.276 127 Q C -0.593 175.356 176.000 -0.085 0.000 1.048 127 Q CA -0.703 55.066 55.803 -0.056 0.000 0.832 127 Q CB 1.496 30.128 28.738 -0.176 0.000 1.373 127 Q HN -0.366 nan 8.270 nan 0.000 0.409 128 D N 1.682 122.037 120.400 -0.076 0.000 2.271 128 D HA -0.172 4.469 4.640 0.002 0.000 0.207 128 D C 0.346 176.596 176.300 -0.083 0.000 0.983 128 D CA 1.692 55.661 54.000 -0.052 0.000 0.878 128 D CB 0.118 40.899 40.800 -0.031 0.000 0.920 128 D HN 0.584 nan 8.370 nan 0.000 0.479 129 D N -0.057 120.219 120.400 -0.206 0.000 2.097 129 D HA -0.133 4.508 4.640 0.002 0.000 0.195 129 D C 1.732 177.949 176.300 -0.139 0.000 0.989 129 D CA 0.703 54.553 54.000 -0.251 0.000 0.827 129 D CB -0.373 40.151 40.800 -0.461 0.000 0.966 129 D HN 0.193 nan 8.370 nan 0.000 0.456 130 F N 0.160 120.145 119.950 0.057 0.000 2.234 130 F HA 0.019 4.547 4.527 0.002 0.000 0.299 130 F C 2.000 177.917 175.800 0.195 0.000 1.087 130 F CA 0.190 58.284 58.000 0.157 0.000 1.340 130 F CB -0.698 38.369 39.000 0.111 0.000 1.031 130 F HN -0.051 nan 8.300 nan 0.000 0.500 131 L N 0.169 121.508 121.223 0.193 0.000 2.046 131 L HA -0.208 4.133 4.340 0.002 0.000 0.208 131 L C 2.074 179.019 176.870 0.124 0.000 1.077 131 L CA 1.779 56.681 54.840 0.103 0.000 0.747 131 L CB -0.943 41.129 42.059 0.022 0.000 0.896 131 L HN 0.016 nan 8.230 nan 0.000 0.432 132 D N -1.250 119.202 120.400 0.087 0.000 2.117 132 D HA -0.179 4.463 4.640 0.002 0.000 0.198 132 D C 2.196 178.542 176.300 0.077 0.000 0.982 132 D CA 0.932 54.967 54.000 0.058 0.000 0.828 132 D CB 0.018 40.828 40.800 0.017 0.000 0.967 132 D HN 0.446 nan 8.370 nan 0.000 0.464 133 Q N -0.478 119.397 119.800 0.124 0.000 2.020 133 Q HA -0.131 4.210 4.340 0.002 0.000 0.202 133 Q C 2.199 178.205 176.000 0.009 0.000 0.982 133 Q CA 1.122 56.961 55.803 0.060 0.000 0.838 133 Q CB -0.209 28.581 28.738 0.087 0.000 0.899 133 Q HN 0.264 nan 8.270 nan 0.000 0.423 134 F N 0.376 120.341 119.950 0.025 0.000 2.171 134 F HA -0.185 4.343 4.527 0.002 0.000 0.300 134 F C 2.517 178.298 175.800 -0.032 0.000 1.090 134 F CA 1.302 59.304 58.000 0.004 0.000 1.293 134 F CB -0.596 38.406 39.000 0.004 0.000 1.013 134 F HN 0.046 nan 8.300 nan 0.000 0.486 135 T N -0.603 114.028 114.554 0.128 0.000 2.684 135 T HA -0.195 4.157 4.350 0.002 0.000 0.267 135 T C 1.493 176.175 174.700 -0.029 0.000 1.036 135 T CA 1.729 63.833 62.100 0.007 0.000 1.148 135 T CB -0.388 68.484 68.868 0.006 0.000 0.863 135 T HN 0.155 nan 8.240 nan 0.000 0.436 136 D N 0.867 121.260 120.400 -0.012 0.000 2.149 136 D HA -0.107 4.535 4.640 0.002 0.000 0.198 136 D C 1.967 178.238 176.300 -0.049 0.000 0.990 136 D CA 1.099 55.081 54.000 -0.031 0.000 0.839 136 D CB -0.566 40.217 40.800 -0.029 0.000 0.948 136 D HN 0.403 nan 8.370 nan 0.000 0.460 137 D N 0.508 120.872 120.400 -0.060 0.000 2.123 137 D HA -0.143 4.498 4.640 0.002 0.000 0.196 137 D C 2.144 178.431 176.300 -0.021 0.000 0.992 137 D CA 0.827 54.790 54.000 -0.062 0.000 0.833 137 D CB -0.231 40.505 40.800 -0.107 0.000 0.954 137 D HN 0.186 nan 8.370 nan 0.000 0.455 138 I N 0.105 120.647 120.570 -0.047 0.000 2.127 138 I HA -0.285 3.887 4.170 0.002 0.000 0.241 138 I C 2.490 178.579 176.117 -0.046 0.000 1.075 138 I CA 1.170 62.374 61.300 -0.160 0.000 1.334 138 I CB -0.432 37.255 38.000 -0.520 0.000 1.040 138 I HN 0.015 nan 8.210 nan 0.000 0.405 139 S N 0.231 115.893 115.700 -0.063 0.000 2.359 139 S HA -0.266 4.206 4.470 0.002 0.000 0.223 139 S C 2.162 176.756 174.600 -0.011 0.000 1.039 139 S CA 1.980 60.169 58.200 -0.019 0.000 1.042 139 S CB -0.564 62.624 63.200 -0.021 0.000 0.915 139 S HN 0.494 nan 8.310 nan 0.000 0.439 140 S N 0.834 116.511 115.700 -0.038 0.000 2.353 140 S HA -0.169 4.302 4.470 0.002 0.000 0.222 140 S C 2.025 176.574 174.600 -0.086 0.000 1.035 140 S CA 2.049 60.218 58.200 -0.052 0.000 1.025 140 S CB -0.928 62.235 63.200 -0.061 0.000 0.902 140 S HN 0.606 nan 8.310 nan 0.000 0.440 141 T N 0.971 115.441 114.554 -0.140 0.000 2.708 141 T HA -0.018 4.333 4.350 0.002 0.000 0.266 141 T C 1.278 175.725 174.700 -0.421 0.000 1.037 141 T CA 1.657 63.576 62.100 -0.301 0.000 1.146 141 T CB -0.469 68.149 68.868 -0.417 0.000 0.865 141 T HN 0.475 nan 8.240 nan 0.000 0.435 142 F N 1.094 120.960 119.950 -0.139 0.000 2.743 142 F HA 0.315 4.843 4.527 0.002 0.000 0.297 142 F C 2.052 177.832 175.800 -0.034 0.000 1.131 142 F CA 0.032 57.968 58.000 -0.106 0.000 1.426 142 F CB -0.918 37.993 39.000 -0.148 0.000 1.116 142 F HN 0.338 nan 8.300 nan 0.000 0.583 143 G N 1.024 109.877 108.800 0.088 0.000 2.652 143 G HA2 -0.438 3.523 3.960 0.002 0.000 0.318 143 G HA3 -0.438 3.523 3.960 0.002 0.000 0.318 143 G C 1.267 176.230 174.900 0.105 0.000 1.295 143 G CA 1.074 46.215 45.100 0.068 0.000 0.999 143 G HN 0.513 nan 8.290 nan 0.000 0.548 144 S N 0.009 115.767 115.700 0.097 0.000 2.575 144 S HA 0.261 4.732 4.470 0.002 0.000 0.215 144 S C 2.215 176.902 174.600 0.145 0.000 0.966 144 S CA 1.231 59.494 58.200 0.106 0.000 0.911 144 S CB 0.098 63.344 63.200 0.077 0.000 0.780 144 S HN 1.925 nan 8.310 nan 0.000 0.514 145 S N 1.942 117.758 115.700 0.193 0.000 2.469 145 S HA 0.064 4.535 4.470 0.002 0.000 0.238 145 S C 0.770 175.541 174.600 0.284 0.000 0.998 145 S CA 0.362 58.716 58.200 0.257 0.000 0.957 145 S CB -0.996 62.417 63.200 0.355 0.000 0.764 145 S HN 0.865 nan 8.310 nan 0.000 0.514 146 I N -3.454 117.267 120.570 0.252 0.000 3.239 146 I HA 0.765 4.937 4.170 0.002 0.000 0.314 146 I C -1.214 175.014 176.117 0.186 0.000 1.126 146 I CA -1.031 60.411 61.300 0.237 0.000 0.973 146 I CB 2.202 40.303 38.000 0.168 0.000 1.252 146 I HN -0.221 nan 8.210 nan 0.000 0.463 147 T N 1.589 116.271 114.554 0.213 0.000 3.011 147 T HA 0.321 4.673 4.350 0.002 0.000 0.303 147 T C -1.057 173.755 174.700 0.187 0.000 0.997 147 T CA -0.473 61.720 62.100 0.155 0.000 1.007 147 T CB 1.571 70.507 68.868 0.114 0.000 1.017 147 T HN 0.601 nan 8.240 nan 0.000 0.443 148 Q N 2.302 122.190 119.800 0.147 0.000 2.361 148 Q HA 0.252 4.594 4.340 0.002 0.000 0.250 148 Q C 1.585 177.648 176.000 0.105 0.000 1.023 148 Q CA -0.457 55.443 55.803 0.161 0.000 0.915 148 Q CB 1.015 29.822 28.738 0.114 0.000 1.238 148 Q HN 0.671 nan 8.270 nan 0.000 0.451 149 V N 0.610 120.577 119.914 0.089 0.000 2.871 149 V HA -0.037 4.085 4.120 0.002 0.000 0.256 149 V C 0.385 176.494 176.094 0.024 0.000 1.082 149 V CA 0.994 63.304 62.300 0.016 0.000 1.105 149 V CB -0.274 31.508 31.823 -0.069 0.000 0.713 149 V HN 0.843 nan 8.190 nan 0.000 0.473 150 Q N -0.982 118.874 119.800 0.095 0.000 2.791 150 Q HA 0.641 4.982 4.340 0.002 0.000 0.280 150 Q C -1.943 174.195 176.000 0.229 0.000 0.928 150 Q CA -0.024 55.857 55.803 0.130 0.000 0.819 150 Q CB 1.492 30.279 28.738 0.081 0.000 1.552 150 Q HN 0.646 nan 8.270 nan 0.000 0.410 151 A N 3.023 125.954 122.820 0.186 0.000 2.381 151 A HA 0.731 5.052 4.320 0.002 0.000 0.299 151 A C -1.647 176.035 177.584 0.163 0.000 1.049 151 A CA -0.553 51.577 52.037 0.154 0.000 0.715 151 A CB 1.092 20.137 19.000 0.075 0.000 1.222 151 A HN 0.570 nan 8.150 nan 0.000 0.428 152 L N 2.055 123.408 121.223 0.216 0.000 2.296 152 L HA 0.565 4.906 4.340 0.002 0.000 0.286 152 L C -0.029 176.955 176.870 0.190 0.000 1.023 152 L CA -0.354 54.576 54.840 0.150 0.000 0.812 152 L CB 1.986 44.137 42.059 0.153 0.000 1.223 152 L HN 0.659 nan 8.230 nan 0.000 0.421 153 S N 1.279 117.042 115.700 0.104 0.000 2.482 153 S HA 0.799 5.270 4.470 0.002 0.000 0.303 153 S C 0.077 174.781 174.600 0.173 0.000 1.091 153 S CA -0.616 57.658 58.200 0.123 0.000 1.057 153 S CB 2.035 65.283 63.200 0.079 0.000 1.031 153 S HN 0.770 nan 8.310 nan 0.000 0.485 154 G N 0.991 109.917 108.800 0.209 0.000 2.714 154 G HA2 0.782 4.743 3.960 0.002 0.000 0.292 154 G HA3 0.782 4.743 3.960 0.002 0.000 0.292 154 G C -1.112 173.898 174.900 0.182 0.000 1.308 154 G CA -0.845 44.418 45.100 0.272 0.000 0.964 154 G HN 0.947 nan 8.290 nan 0.000 0.484 155 S N -1.434 114.373 115.700 0.179 0.000 2.535 155 S HA 0.698 5.170 4.470 0.002 0.000 0.272 155 S C -0.194 174.460 174.600 0.089 0.000 1.149 155 S CA -0.114 58.154 58.200 0.114 0.000 0.888 155 S CB 1.185 64.443 63.200 0.096 0.000 1.110 155 S HN 2.000 nan 8.310 nan 0.000 0.463 156 A N 2.903 125.761 122.820 0.064 0.000 2.555 156 A HA 0.427 4.748 4.320 0.002 0.000 0.233 156 A C 0.726 178.318 177.584 0.014 0.000 1.060 156 A CA -0.052 52.008 52.037 0.038 0.000 0.759 156 A CB -0.098 18.929 19.000 0.045 0.000 0.995 156 A HN 0.850 nan 8.150 nan 0.000 0.506 157 R N 1.512 121.994 120.500 -0.029 0.000 2.637 157 R HA 0.299 4.640 4.340 0.002 0.000 0.269 157 R C -2.401 173.888 176.300 -0.017 0.000 1.089 157 R CA -1.351 54.720 56.100 -0.047 0.000 1.177 157 R CB -0.223 29.997 30.300 -0.134 0.000 1.091 157 R HN 0.469 nan 8.270 nan 0.000 0.540 158 P HA -0.085 nan 4.420 nan 0.000 0.267 158 P C 0.567 177.850 177.300 -0.029 0.000 1.200 158 P CA 0.814 63.908 63.100 -0.010 0.000 0.772 158 P CB 0.495 32.194 31.700 -0.001 0.000 0.855 159 G N 3.791 112.580 108.800 -0.019 0.000 2.685 159 G HA2 -0.377 3.585 3.960 0.002 0.000 0.357 159 G HA3 -0.377 3.585 3.960 0.002 0.000 0.357 159 G C 0.853 175.727 174.900 -0.043 0.000 1.272 159 G CA 0.980 46.065 45.100 -0.025 0.000 0.972 159 G HN 0.673 nan 8.290 nan 0.000 0.550 160 D N 0.483 120.844 120.400 -0.066 0.000 2.392 160 D HA -0.017 4.624 4.640 0.002 0.000 0.228 160 D C 1.758 177.924 176.300 -0.223 0.000 1.003 160 D CA 1.202 55.143 54.000 -0.097 0.000 0.917 160 D CB -0.028 40.717 40.800 -0.091 0.000 0.890 160 D HN 0.434 nan 8.370 nan 0.000 0.532 161 Q N 0.071 119.740 119.800 -0.218 0.000 2.352 161 Q HA 0.260 4.601 4.340 0.002 0.000 0.212 161 Q C 0.595 176.538 176.000 -0.095 0.000 0.888 161 Q CA 0.024 55.611 55.803 -0.361 0.000 0.934 161 Q CB 0.602 29.204 28.738 -0.227 0.000 1.093 161 Q HN 0.388 nan 8.270 nan 0.000 0.523 162 A N 0.366 123.180 122.820 -0.009 0.000 2.584 162 A HA 0.325 4.646 4.320 0.002 0.000 0.239 162 A C 1.260 178.948 177.584 0.173 0.000 1.043 162 A CA 1.245 53.319 52.037 0.062 0.000 0.756 162 A CB -0.387 18.641 19.000 0.046 0.000 0.963 162 A HN 0.532 nan 8.150 nan 0.000 0.511 163 G N 1.702 110.585 108.800 0.139 0.000 2.175 163 G HA2 -0.186 3.775 3.960 0.002 0.000 0.244 163 G HA3 -0.186 3.775 3.960 0.002 0.000 0.244 163 G C 0.017 174.968 174.900 0.085 0.000 0.982 163 G CA 0.618 45.789 45.100 0.118 0.000 0.641 163 G HN 1.185 nan 8.290 nan 0.000 0.527 164 H N 1.151 120.203 119.070 -0.029 0.000 2.457 164 H HA 0.571 5.128 4.556 0.002 0.000 0.335 164 H C 0.426 175.700 175.328 -0.091 0.000 1.115 164 H CA -0.145 55.880 56.048 -0.039 0.000 1.219 164 H CB 1.294 31.025 29.762 -0.051 0.000 1.471 164 H HN 0.594 nan 8.280 nan 0.000 0.491 165 E N 1.416 121.630 120.200 0.022 0.000 2.371 165 E HA 0.038 4.389 4.350 0.002 0.000 0.257 165 E C 0.420 176.959 176.600 -0.102 0.000 1.134 165 E CA -0.283 56.079 56.400 -0.064 0.000 0.919 165 E CB 0.389 30.075 29.700 -0.024 0.000 1.025 165 E HN 0.568 nan 8.360 nan 0.000 0.438 166 H N 0.362 119.363 119.070 -0.115 0.000 2.539 166 H HA -0.106 4.451 4.556 0.002 0.000 0.292 166 H C 0.534 175.826 175.328 -0.061 0.000 1.069 166 H CA 1.011 56.974 56.048 -0.141 0.000 1.244 166 H CB -0.031 29.578 29.762 -0.254 0.000 1.365 166 H HN 0.457 nan 8.280 nan 0.000 0.575 167 F N -0.463 119.541 119.950 0.090 0.000 2.743 167 F HA 0.196 4.724 4.527 0.002 0.000 0.297 167 F C 2.024 177.927 175.800 0.171 0.000 1.131 167 F CA 0.773 58.813 58.000 0.066 0.000 1.426 167 F CB 0.197 39.127 39.000 -0.115 0.000 1.116 167 F HN 0.268 nan 8.300 nan 0.000 0.583 168 G N -0.751 108.209 108.800 0.267 0.000 2.184 168 G HA2 -0.239 3.722 3.960 0.002 0.000 0.206 168 G HA3 -0.239 3.722 3.960 0.002 0.000 0.206 168 G C 0.123 175.040 174.900 0.028 0.000 0.995 168 G CA -0.645 44.509 45.100 0.091 0.000 0.651 168 G HN 0.166 nan 8.290 nan 0.000 0.511 169 F N 0.605 120.539 119.950 -0.027 0.000 2.404 169 F HA 0.634 5.162 4.527 0.002 0.000 0.345 169 F C 0.784 176.385 175.800 -0.331 0.000 1.110 169 F CA -1.149 56.737 58.000 -0.189 0.000 1.130 169 F CB 1.362 40.020 39.000 -0.570 0.000 1.129 169 F HN 0.084 nan 8.300 nan 0.000 0.500 170 L N 3.693 124.628 121.223 -0.480 0.000 2.584 170 L HA 0.111 4.453 4.340 0.002 0.000 0.272 170 L C -0.490 176.244 176.870 -0.226 0.000 1.195 170 L CA 0.486 54.875 54.840 -0.752 0.000 0.920 170 L CB -0.121 41.591 42.059 -0.579 0.000 1.173 170 L HN 0.558 nan 8.230 nan 0.000 0.489 171 D N 3.657 123.975 120.400 -0.137 0.000 2.375 171 D HA 0.675 5.316 4.640 0.002 0.000 0.247 171 D C 0.376 176.695 176.300 0.033 0.000 1.061 171 D CA 0.372 54.371 54.000 -0.003 0.000 0.834 171 D CB 1.529 42.355 40.800 0.043 0.000 1.247 171 D HN 0.833 nan 8.370 nan 0.000 0.489 172 G N 2.877 111.719 108.800 0.070 0.000 2.157 172 G HA2 -0.159 3.803 3.960 0.002 0.000 0.118 172 G HA3 -0.159 3.803 3.960 0.002 0.000 0.118 172 G C 0.843 175.771 174.900 0.047 0.000 1.032 172 G CA 0.167 45.312 45.100 0.074 0.000 0.697 172 G HN 0.484 nan 8.290 nan 0.000 0.495 173 I N 0.182 120.783 120.570 0.051 0.000 2.272 173 I HA 0.121 4.293 4.170 0.002 0.000 0.235 173 I C 1.747 177.870 176.117 0.010 0.000 1.071 173 I CA 1.017 62.323 61.300 0.010 0.000 1.374 173 I CB -0.189 37.839 38.000 0.047 0.000 1.121 173 I HN 0.283 nan 8.210 nan 0.000 0.420 174 S N 1.819 117.568 115.700 0.083 0.000 2.465 174 S HA 0.248 4.720 4.470 0.002 0.000 0.279 174 S C -0.515 174.167 174.600 0.138 0.000 1.201 174 S CA -0.438 57.820 58.200 0.096 0.000 1.053 174 S CB 0.077 63.358 63.200 0.135 0.000 0.953 174 S HN 0.125 nan 8.310 nan 0.000 0.488 175 Q N 4.238 124.117 119.800 0.131 0.000 2.345 175 Q HA 0.450 4.792 4.340 0.002 0.000 0.275 175 Q C -2.650 173.448 176.000 0.164 0.000 1.063 175 Q CA -1.988 53.916 55.803 0.168 0.000 0.819 175 Q CB 2.159 30.993 28.738 0.161 0.000 1.356 175 Q HN 0.469 nan 8.270 nan 0.000 0.418 176 P HA 0.106 nan 4.420 nan 0.000 0.274 176 P C -0.596 176.780 177.300 0.127 0.000 1.256 176 P CA -0.232 62.929 63.100 0.101 0.000 0.795 176 P CB 0.936 32.692 31.700 0.094 0.000 1.038 177 S N 0.077 115.831 115.700 0.091 0.000 2.605 177 S HA 0.461 4.933 4.470 0.002 0.000 0.308 177 S C -0.344 174.346 174.600 0.149 0.000 1.113 177 S CA -0.731 57.560 58.200 0.153 0.000 1.049 177 S CB 0.126 63.387 63.200 0.102 0.000 1.001 177 S HN 0.346 nan 8.310 nan 0.000 0.480 178 V N 3.128 123.200 119.914 0.264 0.000 2.863 178 V HA 0.846 4.968 4.120 0.002 0.000 0.307 178 V C 0.390 176.659 176.094 0.292 0.000 1.061 178 V CA -0.554 61.878 62.300 0.220 0.000 1.024 178 V CB 1.025 32.944 31.823 0.158 0.000 1.049 178 V HN 0.890 nan 8.190 nan 0.000 0.471 179 T N -0.487 114.177 114.554 0.183 0.000 2.918 179 T HA 0.705 5.057 4.350 0.002 0.000 0.283 179 T C 0.932 175.766 174.700 0.222 0.000 1.001 179 T CA 0.094 62.291 62.100 0.163 0.000 1.041 179 T CB 1.012 69.926 68.868 0.076 0.000 1.028 179 T HN 2.492 nan 8.240 nan 0.000 0.511 180 G N 0.506 109.433 108.800 0.212 0.000 2.159 180 G HA2 -0.011 3.951 3.960 0.002 0.000 0.170 180 G HA3 -0.011 3.951 3.960 0.002 0.000 0.170 180 G C -0.313 174.778 174.900 0.319 0.000 1.007 180 G CA -0.134 45.086 45.100 0.200 0.000 0.672 180 G HN 1.345 nan 8.290 nan 0.000 0.507 181 W N 0.147 121.435 121.300 -0.022 0.000 3.059 181 W HA 0.565 5.227 4.660 0.002 0.000 0.329 181 W C 0.551 177.054 176.519 -0.026 0.000 1.246 181 W CA -0.474 56.857 57.345 -0.024 0.000 1.190 181 W CB -0.177 29.267 29.460 -0.027 0.000 1.423 181 W HN 0.346 nan 8.180 nan 0.000 0.571 182 E N 1.758 121.868 120.200 -0.151 0.000 1.973 182 E HA -0.177 4.175 4.350 0.002 0.000 0.233 182 E C 0.865 177.066 176.600 -0.665 0.000 0.960 182 E CA 2.057 58.255 56.400 -0.336 0.000 0.884 182 E CB -1.405 28.169 29.700 -0.211 0.000 0.817 182 E HN 0.692 nan 8.360 nan 0.000 0.570 183 T N -0.912 113.098 114.554 -0.908 0.000 0.541 183 T HA -0.186 4.166 4.350 0.002 0.000 0.774 183 T C -0.507 173.895 174.700 -0.497 0.000 0.992 183 T CA 1.267 62.836 62.100 -0.885 0.000 4.077 183 T CB -0.701 67.340 68.868 -1.378 0.000 2.303 183 T HN 1.112 nan 8.240 nan 0.000 0.398 184 T N 2.358 116.674 114.554 -0.397 0.000 2.864 184 T HA 0.620 4.972 4.350 0.002 0.000 0.299 184 T C -0.116 174.331 174.700 -0.421 0.000 1.011 184 T CA -0.820 61.054 62.100 -0.376 0.000 0.975 184 T CB 1.321 69.952 68.868 -0.396 0.000 0.962 184 T HN 0.696 nan 8.240 nan 0.000 0.448 185 V N 4.722 124.460 119.914 -0.294 0.000 2.521 185 V HA 0.295 4.416 4.120 0.002 0.000 0.286 185 V C 0.044 176.004 176.094 -0.223 0.000 1.034 185 V CA -0.300 61.893 62.300 -0.179 0.000 1.045 185 V CB -0.633 31.136 31.823 -0.091 0.000 0.974 185 V HN 0.787 nan 8.190 nan 0.000 0.480 186 F N 6.074 126.005 119.950 -0.031 0.000 2.371 186 F HA 0.411 4.940 4.527 0.002 0.000 0.329 186 F C -1.592 174.192 175.800 -0.027 0.000 1.107 186 F CA -2.394 55.594 58.000 -0.021 0.000 1.137 186 F CB 0.644 39.641 39.000 -0.005 0.000 1.214 186 F HN 0.332 nan 8.300 nan 0.000 0.536 187 P HA 0.126 nan 4.420 nan 0.000 0.266 187 P C 0.522 177.848 177.300 0.045 0.000 1.215 187 P CA 0.760 63.909 63.100 0.081 0.000 0.763 187 P CB 0.740 32.486 31.700 0.076 0.000 0.806 188 G N 2.197 110.991 108.800 -0.009 0.000 2.213 188 G HA2 -0.237 3.724 3.960 0.002 0.000 0.236 188 G HA3 -0.237 3.724 3.960 0.002 0.000 0.236 188 G C 0.185 175.027 174.900 -0.096 0.000 0.991 188 G CA 0.140 45.180 45.100 -0.101 0.000 0.629 188 G HN 0.726 nan 8.290 nan 0.000 0.517 189 Q N 0.967 120.766 119.800 -0.002 0.000 2.354 189 Q HA 0.659 5.000 4.340 0.002 0.000 0.244 189 Q C 0.487 176.486 176.000 -0.001 0.000 0.969 189 Q CA 0.227 56.046 55.803 0.027 0.000 0.885 189 Q CB 0.897 29.715 28.738 0.133 0.000 1.241 189 Q HN 1.033 nan 8.270 nan 0.000 0.461 190 A N 2.925 125.732 122.820 -0.021 0.000 2.304 190 A HA 0.549 4.870 4.320 0.002 0.000 0.301 190 A C -0.964 176.565 177.584 -0.092 0.000 1.132 190 A CA -0.644 51.334 52.037 -0.098 0.000 0.819 190 A CB 1.101 19.929 19.000 -0.286 0.000 1.094 190 A HN 0.552 nan 8.150 nan 0.000 0.492 191 V N 3.039 122.902 119.914 -0.084 0.000 2.409 191 V HA 0.563 4.685 4.120 0.002 0.000 0.291 191 V C -0.021 176.037 176.094 -0.060 0.000 1.020 191 V CA -0.339 61.935 62.300 -0.044 0.000 0.848 191 V CB 0.936 32.747 31.823 -0.020 0.000 0.990 191 V HN 1.055 nan 8.190 nan 0.000 0.430 192 V N 3.288 123.178 119.914 -0.040 0.000 3.102 192 V HA 0.812 4.933 4.120 0.002 0.000 0.312 192 V C -2.763 173.341 176.094 0.016 0.000 1.135 192 V CA -2.670 59.614 62.300 -0.027 0.000 1.022 192 V CB 2.456 34.249 31.823 -0.049 0.000 1.056 192 V HN 0.622 nan 8.190 nan 0.000 0.436 193 P HA 0.295 nan 4.420 nan 0.000 0.275 193 P C -2.211 175.106 177.300 0.029 0.000 1.228 193 P CA -1.500 61.614 63.100 0.023 0.000 0.786 193 P CB 0.650 32.356 31.700 0.011 0.000 0.927 194 P HA -0.170 nan 4.420 nan 0.000 0.221 194 P C 1.579 178.883 177.300 0.006 0.000 1.145 194 P CA 1.621 64.729 63.100 0.014 0.000 0.795 194 P CB -0.616 31.084 31.700 0.001 0.000 0.775 195 G N 0.309 109.114 108.800 0.008 0.000 2.470 195 G HA2 -0.186 3.775 3.960 0.002 0.000 0.220 195 G HA3 -0.186 3.775 3.960 0.002 0.000 0.220 195 G C 1.582 176.495 174.900 0.021 0.000 1.121 195 G CA 0.149 45.253 45.100 0.008 0.000 0.766 195 G HN 0.274 nan 8.290 nan 0.000 0.553 196 I N 0.397 120.983 120.570 0.027 0.000 2.614 196 I HA -0.061 4.110 4.170 0.002 0.000 0.258 196 I C 1.929 178.096 176.117 0.084 0.000 1.189 196 I CA 0.605 61.931 61.300 0.044 0.000 1.462 196 I CB 0.050 38.082 38.000 0.055 0.000 1.092 196 I HN 0.133 nan 8.210 nan 0.000 0.442 197 I N -0.340 120.273 120.570 0.072 0.000 3.883 197 I HA 0.171 4.342 4.170 0.002 0.000 0.305 197 I C 0.706 176.853 176.117 0.049 0.000 1.247 197 I CA 0.598 61.950 61.300 0.085 0.000 1.350 197 I CB -0.004 38.031 38.000 0.057 0.000 1.194 197 I HN -0.021 nan 8.210 nan 0.000 0.441 198 L N 2.460 123.689 121.223 0.010 0.000 2.287 198 L HA 0.298 4.639 4.340 0.002 0.000 0.287 198 L C 0.313 177.189 176.870 0.011 0.000 1.022 198 L CA -0.517 54.312 54.840 -0.020 0.000 0.814 198 L CB 1.539 43.558 42.059 -0.067 0.000 1.217 198 L HN 0.137 nan 8.230 nan 0.000 0.420 199 T N -0.553 114.021 114.554 0.033 0.000 2.928 199 T HA 0.361 4.712 4.350 0.002 0.000 0.305 199 T C 1.232 175.930 174.700 -0.004 0.000 1.035 199 T CA 0.273 62.396 62.100 0.039 0.000 1.145 199 T CB 1.259 70.160 68.868 0.056 0.000 0.963 199 T HN 0.991 nan 8.240 nan 0.000 0.545 200 G N 2.484 111.275 108.800 -0.014 0.000 2.258 200 G HA2 -0.220 3.741 3.960 0.002 0.000 0.233 200 G HA3 -0.220 3.741 3.960 0.002 0.000 0.233 200 G C 0.475 175.365 174.900 -0.017 0.000 1.006 200 G CA -0.277 44.807 45.100 -0.025 0.000 0.620 200 G HN 0.821 nan 8.290 nan 0.000 0.511 201 R N 1.127 121.620 120.500 -0.013 0.000 2.580 201 R HA 0.421 4.762 4.340 0.002 0.000 0.267 201 R C -0.162 176.134 176.300 -0.006 0.000 1.125 201 R CA -0.426 55.668 56.100 -0.010 0.000 1.188 201 R CB -0.150 30.141 30.300 -0.014 0.000 1.155 201 R HN 0.358 nan 8.270 nan 0.000 0.586 202 D N -0.695 119.703 120.400 -0.003 0.000 2.434 202 D HA 0.209 4.850 4.640 0.002 0.000 0.252 202 D C 0.952 177.250 176.300 -0.003 0.000 1.185 202 D CA 1.793 55.792 54.000 -0.003 0.000 0.886 202 D CB 0.197 40.997 40.800 0.001 0.000 1.148 202 D HN 0.636 nan 8.370 nan 0.000 0.483 203 G N 3.686 112.480 108.800 -0.010 0.000 2.316 203 G HA2 -0.230 3.732 3.960 0.002 0.000 0.203 203 G HA3 -0.230 3.732 3.960 0.002 0.000 0.203 203 G C 0.120 175.007 174.900 -0.022 0.000 0.999 203 G CA -0.082 45.008 45.100 -0.017 0.000 0.649 203 G HN 0.707 nan 8.290 nan 0.000 0.489 204 D N 1.911 122.304 120.400 -0.012 0.000 2.352 204 D HA 0.470 5.112 4.640 0.002 0.000 0.245 204 D C 1.812 178.101 176.300 -0.018 0.000 1.224 204 D CA 0.745 54.740 54.000 -0.008 0.000 0.879 204 D CB 0.919 41.723 40.800 0.008 0.000 1.057 204 D HN 0.284 nan 8.370 nan 0.000 0.491 205 T N 0.584 115.121 114.554 -0.029 0.000 3.160 205 T HA 0.179 4.530 4.350 0.002 0.000 0.257 205 T C 1.141 175.824 174.700 -0.028 0.000 1.147 205 T CA -0.134 61.947 62.100 -0.032 0.000 1.064 205 T CB -0.164 68.678 68.868 -0.043 0.000 0.949 205 T HN 0.300 nan 8.240 nan 0.000 0.526 206 G N 0.585 109.372 108.800 -0.023 0.000 2.572 206 G HA2 0.446 4.408 3.960 0.002 0.000 0.261 206 G HA3 0.446 4.408 3.960 0.002 0.000 0.261 206 G C -0.633 174.248 174.900 -0.032 0.000 1.197 206 G CA -0.578 44.506 45.100 -0.026 0.000 0.870 206 G HN 0.269 nan 8.290 nan 0.000 0.548 207 T N 1.787 116.317 114.554 -0.040 0.000 2.781 207 T HA 0.456 4.807 4.350 0.002 0.000 0.305 207 T C 0.204 174.859 174.700 -0.074 0.000 1.001 207 T CA -0.269 61.803 62.100 -0.047 0.000 0.950 207 T CB 0.513 69.359 68.868 -0.037 0.000 0.955 207 T HN 0.350 nan 8.240 nan 0.000 0.471 208 R N 3.201 123.643 120.500 -0.097 0.000 2.720 208 R HA 0.660 5.001 4.340 0.002 0.000 0.272 208 R C -2.423 173.760 176.300 -0.194 0.000 0.991 208 R CA -2.065 53.931 56.100 -0.174 0.000 1.010 208 R CB -0.058 30.125 30.300 -0.194 0.000 1.141 208 R HN 0.332 nan 8.270 nan 0.000 0.494 209 P HA 0.085 nan 4.420 nan 0.000 0.273 209 P C 0.158 177.315 177.300 -0.238 0.000 1.250 209 P CA -0.283 62.662 63.100 -0.258 0.000 0.793 209 P CB 0.734 32.181 31.700 -0.421 0.000 1.011 210 S N 0.027 115.692 115.700 -0.058 0.000 2.382 210 S HA -0.149 4.322 4.470 0.002 0.000 0.228 210 S C 1.632 176.265 174.600 0.054 0.000 1.027 210 S CA 0.820 59.026 58.200 0.011 0.000 0.991 210 S CB -1.204 62.043 63.200 0.079 0.000 0.823 210 S HN 0.735 nan 8.310 nan 0.000 0.469 211 W N 1.883 123.200 121.300 0.028 0.000 2.825 211 W HA 0.434 5.094 4.660 0.001 0.000 0.243 211 W C 1.587 178.157 176.519 0.085 0.000 1.293 211 W CA 0.198 57.571 57.345 0.047 0.000 1.403 211 W CB -0.626 28.863 29.460 0.048 0.000 1.134 211 W HN 0.405 nan 8.180 nan 0.000 0.666 212 A N 1.504 124.049 122.820 -0.458 0.000 2.208 212 A HA 0.094 4.415 4.320 0.002 0.000 0.209 212 A C 1.032 178.599 177.584 -0.027 0.000 1.161 212 A CA -0.072 51.734 52.037 -0.384 0.000 0.782 212 A CB -0.644 17.925 19.000 -0.718 0.000 0.816 212 A HN 0.210 nan 8.150 nan 0.000 0.477 213 L N 0.530 121.738 121.223 -0.024 0.000 2.559 213 L HA 0.032 4.373 4.340 0.002 0.000 0.282 213 L C -0.003 176.871 176.870 0.007 0.000 1.232 213 L CA 1.225 56.064 54.840 -0.002 0.000 0.885 213 L CB -0.380 41.684 42.059 0.008 0.000 1.131 213 L HN 0.483 nan 8.230 nan 0.000 0.498 214 D N 2.091 122.475 120.400 -0.026 0.000 3.059 214 D HA -0.172 4.469 4.640 0.002 0.000 0.220 214 D C 0.404 176.631 176.300 -0.122 0.000 1.169 214 D CA 1.164 55.122 54.000 -0.069 0.000 0.902 214 D CB -1.376 39.384 40.800 -0.066 0.000 1.116 214 D HN 0.876 nan 8.370 nan 0.000 0.417 215 G N -0.953 107.782 108.800 -0.108 0.000 2.568 215 G HA2 0.628 4.590 3.960 0.002 0.000 0.293 215 G HA3 0.628 4.590 3.960 0.002 0.000 0.293 215 G C -0.481 174.236 174.900 -0.306 0.000 1.347 215 G CA 0.370 45.251 45.100 -0.365 0.000 1.039 215 G HN 0.231 nan 8.290 nan 0.000 0.523 216 S N -2.238 113.140 115.700 -0.536 0.000 2.567 216 S HA 0.603 5.074 4.470 0.002 0.000 0.270 216 S C -2.002 172.507 174.600 -0.151 0.000 1.152 216 S CA -0.644 57.441 58.200 -0.191 0.000 0.835 216 S CB 0.898 64.019 63.200 -0.132 0.000 1.115 216 S HN 0.334 nan 8.310 nan 0.000 0.459 217 F N 2.777 122.917 119.950 0.316 0.000 2.427 217 F HA 0.546 5.074 4.527 0.002 0.000 0.346 217 F C 0.463 176.507 175.800 0.406 0.000 1.120 217 F CA -0.500 57.715 58.000 0.359 0.000 1.033 217 F CB 1.719 40.869 39.000 0.250 0.000 1.126 217 F HN 0.440 nan 8.300 nan 0.000 0.462 218 M N 3.707 123.680 119.600 0.622 0.000 2.268 218 M HA 0.701 5.183 4.480 0.002 0.000 0.344 218 M C -1.150 175.415 176.300 0.442 0.000 1.106 218 M CA -0.621 54.899 55.300 0.368 0.000 1.010 218 M CB 1.262 34.060 32.600 0.330 0.000 1.649 218 M HN 0.676 nan 8.290 nan 0.000 0.443 219 A N 5.629 128.584 122.820 0.225 0.000 2.341 219 A HA 0.470 4.791 4.320 0.002 0.000 0.326 219 A C -1.253 176.323 177.584 -0.012 0.000 1.402 219 A CA -0.505 51.633 52.037 0.168 0.000 0.957 219 A CB -0.122 18.803 19.000 -0.125 0.000 1.151 219 A HN 0.819 nan 8.150 nan 0.000 0.533 220 F N 2.994 122.914 119.950 -0.051 0.000 2.408 220 F HA 0.673 5.202 4.527 0.002 0.000 0.344 220 F C 0.326 175.921 175.800 -0.342 0.000 1.112 220 F CA -0.396 57.528 58.000 -0.127 0.000 1.096 220 F CB 0.964 40.031 39.000 0.112 0.000 1.129 220 F HN 0.545 nan 8.300 nan 0.000 0.486 221 R N 4.340 124.067 120.500 -1.287 0.000 2.538 221 R HA 0.156 4.498 4.340 0.002 0.000 0.292 221 R C -1.449 173.872 176.300 -1.633 0.000 1.008 221 R CA -0.841 54.410 56.100 -1.415 0.000 0.896 221 R CB 1.539 31.069 30.300 -1.285 0.000 1.187 221 R HN 0.782 nan 8.270 nan 0.000 0.440 222 H N 4.610 122.770 119.070 -1.516 0.000 2.787 222 H HA 0.251 4.808 4.556 0.002 0.000 0.275 222 H C -0.969 173.936 175.328 -0.706 0.000 1.183 222 H CA -0.552 54.897 56.048 -0.997 0.000 1.290 222 H CB 0.278 29.558 29.762 -0.803 0.000 1.438 222 H HN 0.288 nan 8.280 nan 0.000 0.487 223 F N 2.622 122.535 119.950 -0.062 0.000 2.399 223 F HA 0.176 4.704 4.527 0.002 0.000 0.334 223 F C 0.393 176.251 175.800 0.096 0.000 1.097 223 F CA -0.679 57.274 58.000 -0.079 0.000 1.076 223 F CB 1.666 40.622 39.000 -0.073 0.000 1.162 223 F HN 0.567 nan 8.300 nan 0.000 0.495 224 Q N 3.456 123.367 119.800 0.184 0.000 2.341 224 Q HA 0.373 4.714 4.340 0.002 0.000 0.268 224 Q C -1.334 174.698 176.000 0.054 0.000 1.013 224 Q CA -0.706 55.181 55.803 0.140 0.000 0.798 224 Q CB 1.090 29.871 28.738 0.071 0.000 1.253 224 Q HN 0.694 nan 8.270 nan 0.000 0.457 225 Q N 2.607 122.374 119.800 -0.056 0.000 2.227 225 Q HA 0.352 4.694 4.340 0.002 0.000 0.245 225 Q C -0.876 175.141 176.000 0.028 0.000 0.926 225 Q CA -0.484 55.261 55.803 -0.096 0.000 0.895 225 Q CB 1.530 29.936 28.738 -0.553 0.000 1.230 225 Q HN 0.427 nan 8.270 nan 0.000 0.450 226 K N 1.611 122.158 120.400 0.245 0.000 2.499 226 K HA 0.177 4.498 4.320 0.002 0.000 0.215 226 K C 0.394 177.191 176.600 0.328 0.000 1.041 226 K CA -0.134 56.307 56.287 0.257 0.000 1.031 226 K CB 0.823 33.518 32.500 0.326 0.000 1.479 226 K HN 0.363 nan 8.250 nan 0.000 0.518 227 V N 1.903 121.981 119.914 0.273 0.000 2.261 227 V HA -0.187 3.935 4.120 0.002 0.000 0.246 227 V C -0.959 175.268 176.094 0.221 0.000 1.047 227 V CA 1.522 64.029 62.300 0.345 0.000 1.015 227 V CB -1.018 30.945 31.823 0.233 0.000 0.642 227 V HN 0.457 nan 8.190 nan 0.000 0.446 228 P HA -0.164 nan 4.420 nan 0.000 0.213 228 P C 1.571 178.907 177.300 0.060 0.000 1.170 228 P CA 1.583 64.739 63.100 0.092 0.000 0.902 228 P CB -0.035 31.712 31.700 0.078 0.000 0.789 229 E N -1.219 119.025 120.200 0.074 0.000 2.033 229 E HA -0.221 4.131 4.350 0.002 0.000 0.199 229 E C 1.806 178.269 176.600 -0.229 0.000 1.011 229 E CA 1.232 57.674 56.400 0.069 0.000 0.815 229 E CB -1.389 28.471 29.700 0.266 0.000 0.755 229 E HN 0.197 nan 8.360 nan 0.000 0.451 230 F N 1.670 121.091 119.950 -0.881 0.000 2.063 230 F HA -0.332 4.196 4.527 0.002 0.000 0.298 230 F C 1.670 177.157 175.800 -0.522 0.000 1.109 230 F CA 2.218 59.333 58.000 -1.475 0.000 1.212 230 F CB -0.572 37.691 39.000 -1.228 0.000 0.973 230 F HN -0.002 nan 8.300 nan 0.000 0.480 231 N N 0.110 118.670 118.700 -0.233 0.000 2.025 231 N HA -0.221 4.520 4.740 0.002 0.000 0.194 231 N C 2.067 177.480 175.510 -0.161 0.000 1.044 231 N CA 1.295 54.239 53.050 -0.177 0.000 0.851 231 N CB -0.565 37.936 38.487 0.023 0.000 1.036 231 N HN 0.417 nan 8.380 nan 0.000 0.422 232 A N 0.587 123.364 122.820 -0.072 0.000 1.927 232 A HA -0.264 4.058 4.320 0.002 0.000 0.220 232 A C 2.046 179.613 177.584 -0.028 0.000 1.185 232 A CA 1.541 53.564 52.037 -0.024 0.000 0.639 232 A CB -1.111 17.908 19.000 0.031 0.000 0.820 232 A HN 0.575 nan 8.150 nan 0.000 0.451 233 Y N 1.569 121.779 120.300 -0.150 0.000 2.200 233 Y HA -0.207 4.345 4.550 0.002 0.000 0.290 233 Y C 2.888 178.698 175.900 -0.150 0.000 1.137 233 Y CA 2.539 60.589 58.100 -0.083 0.000 1.163 233 Y CB -0.555 37.935 38.460 0.049 0.000 0.988 233 Y HN 0.457 nan 8.280 nan 0.000 0.518 234 T N -1.706 112.708 114.554 -0.234 0.000 2.915 234 T HA -0.180 4.172 4.350 0.002 0.000 0.269 234 T C 1.759 176.336 174.700 -0.206 0.000 1.071 234 T CA 1.326 63.258 62.100 -0.281 0.000 1.132 234 T CB -0.685 67.960 68.868 -0.372 0.000 0.878 234 T HN 0.285 nan 8.240 nan 0.000 0.479 235 L N 1.424 122.549 121.223 -0.164 0.000 2.131 235 L HA 0.457 4.798 4.340 0.002 0.000 0.206 235 L C 2.758 179.564 176.870 -0.106 0.000 1.087 235 L CA 1.390 56.170 54.840 -0.099 0.000 0.767 235 L CB -1.080 40.940 42.059 -0.065 0.000 0.917 235 L HN 0.391 nan 8.230 nan 0.000 0.441 236 A N -1.391 121.339 122.820 -0.150 0.000 2.206 236 A HA 0.003 4.324 4.320 0.002 0.000 0.211 236 A C 1.461 178.936 177.584 -0.182 0.000 1.158 236 A CA 0.842 52.794 52.037 -0.141 0.000 0.761 236 A CB -0.413 18.510 19.000 -0.128 0.000 0.801 236 A HN 0.569 nan 8.150 nan 0.000 0.473 237 N N -0.331 118.226 118.700 -0.239 0.000 2.194 237 N HA 0.215 4.956 4.740 0.002 0.000 0.231 237 N C 0.189 175.669 175.510 -0.049 0.000 1.247 237 N CA 0.420 53.371 53.050 -0.165 0.000 0.884 237 N CB 0.663 38.957 38.487 -0.323 0.000 1.146 237 N HN 0.359 nan 8.380 nan 0.000 0.516 238 A N 1.449 124.235 122.820 -0.057 0.000 2.598 238 A HA -0.002 4.320 4.320 0.002 0.000 0.239 238 A C 0.655 178.277 177.584 0.062 0.000 1.032 238 A CA 0.364 52.404 52.037 0.004 0.000 0.760 238 A CB -0.338 18.667 19.000 0.008 0.000 0.946 238 A HN 0.262 nan 8.150 nan 0.000 0.512 239 I N 4.987 125.629 120.570 0.120 0.000 2.533 239 I HA 0.066 4.238 4.170 0.002 0.000 0.284 239 I C -1.330 174.872 176.117 0.142 0.000 1.109 239 I CA -1.467 59.939 61.300 0.177 0.000 1.412 239 I CB 0.978 39.170 38.000 0.320 0.000 1.396 239 I HN 0.542 nan 8.210 nan 0.000 0.543 240 P HA -0.137 nan 4.420 nan 0.000 0.212 240 P C -0.071 177.249 177.300 0.034 0.000 1.178 240 P CA 1.201 64.334 63.100 0.054 0.000 0.915 240 P CB 0.297 32.023 31.700 0.044 0.000 0.788 241 A N -2.207 120.635 122.820 0.037 0.000 2.599 241 A HA 0.620 4.941 4.320 0.002 0.000 0.290 241 A C -1.167 176.406 177.584 -0.018 0.000 1.101 241 A CA -0.462 51.562 52.037 -0.021 0.000 0.674 241 A CB 0.786 19.773 19.000 -0.021 0.000 1.277 241 A HN 0.236 nan 8.150 nan 0.000 0.419 242 N N -1.039 117.601 118.700 -0.100 0.000 3.283 242 N HA 0.480 5.222 4.740 0.002 0.000 0.338 242 N C 0.769 176.249 175.510 -0.050 0.000 1.517 242 N CA 0.142 53.152 53.050 -0.067 0.000 0.733 242 N CB 0.117 38.476 38.487 -0.214 0.000 1.797 242 N HN 0.267 nan 8.380 nan 0.000 0.637 243 S N -0.437 115.251 115.700 -0.021 0.000 2.369 243 S HA -0.203 4.268 4.470 0.002 0.000 0.225 243 S C 1.751 176.333 174.600 -0.030 0.000 1.043 243 S CA 1.974 60.167 58.200 -0.012 0.000 1.074 243 S CB -1.131 62.074 63.200 0.008 0.000 0.962 243 S HN 0.755 nan 8.310 nan 0.000 0.433 244 A N 0.939 123.728 122.820 -0.051 0.000 2.272 244 A HA 0.417 4.738 4.320 0.002 0.000 0.213 244 A C 1.147 178.694 177.584 -0.061 0.000 1.183 244 A CA 1.082 53.086 52.037 -0.055 0.000 0.719 244 A CB -1.140 17.818 19.000 -0.070 0.000 0.771 244 A HN 1.053 nan 8.150 nan 0.000 0.484 245 G N -1.207 107.556 108.800 -0.061 0.000 2.434 245 G HA2 -0.099 3.862 3.960 0.002 0.000 0.671 245 G HA3 -0.099 3.862 3.960 0.002 0.000 0.671 245 G C -0.678 174.185 174.900 -0.061 0.000 1.280 245 G CA -0.492 44.577 45.100 -0.051 0.000 0.975 245 G HN 0.343 nan 8.290 nan 0.000 0.510 246 N N -0.623 118.051 118.700 -0.042 0.000 2.329 246 N HA 0.329 5.070 4.740 0.002 0.000 0.237 246 N C -0.017 175.466 175.510 -0.046 0.000 1.258 246 N CA 0.572 53.600 53.050 -0.035 0.000 0.866 246 N CB 0.418 38.892 38.487 -0.022 0.000 1.102 246 N HN 0.547 nan 8.380 nan 0.000 0.440 247 L N 0.620 121.823 121.223 -0.034 0.000 2.410 247 L HA 0.284 4.625 4.340 0.002 0.000 0.270 247 L C 0.827 177.695 176.870 -0.003 0.000 0.983 247 L CA -0.919 53.904 54.840 -0.028 0.000 0.822 247 L CB 1.987 44.025 42.059 -0.035 0.000 1.285 247 L HN 0.581 nan 8.230 nan 0.000 0.409 248 T N -1.922 112.631 114.554 -0.000 0.000 2.748 248 T HA -0.016 4.335 4.350 0.002 0.000 0.304 248 T C 0.869 175.579 174.700 0.017 0.000 1.041 248 T CA -0.045 62.058 62.100 0.005 0.000 1.033 248 T CB 1.014 69.884 68.868 0.003 0.000 0.995 248 T HN 0.774 nan 8.240 nan 0.000 0.536 249 Q N -0.304 119.503 119.800 0.012 0.000 2.135 249 Q HA -0.217 4.124 4.340 0.002 0.000 0.204 249 Q C 2.273 178.285 176.000 0.020 0.000 0.981 249 Q CA 1.334 57.145 55.803 0.012 0.000 0.856 249 Q CB -0.118 28.621 28.738 0.001 0.000 0.902 249 Q HN 0.695 nan 8.270 nan 0.000 0.425 250 Q N 0.504 120.316 119.800 0.021 0.000 2.079 250 Q HA -0.164 4.177 4.340 0.002 0.000 0.200 250 Q C 1.555 177.590 176.000 0.059 0.000 0.974 250 Q CA 1.700 57.521 55.803 0.030 0.000 0.840 250 Q CB 0.098 28.849 28.738 0.022 0.000 0.898 250 Q HN 0.565 nan 8.270 nan 0.000 0.430 251 E N -1.235 119.003 120.200 0.063 0.000 2.216 251 E HA -0.043 4.308 4.350 0.002 0.000 0.192 251 E C 1.857 178.555 176.600 0.164 0.000 0.988 251 E CA 0.679 57.142 56.400 0.105 0.000 0.834 251 E CB -0.129 29.603 29.700 0.053 0.000 0.772 251 E HN 0.397 nan 8.360 nan 0.000 0.479 252 G N 1.591 110.463 108.800 0.119 0.000 2.402 252 G HA2 -0.244 3.717 3.960 0.002 0.000 0.216 252 G HA3 -0.244 3.717 3.960 0.002 0.000 0.216 252 G C 1.698 176.688 174.900 0.151 0.000 1.162 252 G CA 0.822 46.017 45.100 0.158 0.000 0.777 252 G HN 0.337 nan 8.290 nan 0.000 0.539 253 A N 0.926 123.793 122.820 0.079 0.000 1.845 253 A HA -0.032 4.289 4.320 0.002 0.000 0.215 253 A C 2.217 179.842 177.584 0.069 0.000 1.195 253 A CA 1.928 53.978 52.037 0.022 0.000 0.616 253 A CB -0.474 18.520 19.000 -0.011 0.000 0.832 253 A HN 0.273 nan 8.150 nan 0.000 0.443 254 E N -0.970 119.313 120.200 0.139 0.000 2.097 254 E HA -0.218 4.134 4.350 0.002 0.000 0.196 254 E C 1.768 178.526 176.600 0.264 0.000 1.000 254 E CA 1.336 57.864 56.400 0.213 0.000 0.804 254 E CB -0.484 29.377 29.700 0.267 0.000 0.740 254 E HN 0.658 nan 8.360 nan 0.000 0.454 255 F N 1.351 121.366 119.950 0.109 0.000 2.186 255 F HA -0.146 4.382 4.527 0.002 0.000 0.299 255 F C 2.201 177.914 175.800 -0.146 0.000 1.090 255 F CA 0.718 58.695 58.000 -0.039 0.000 1.307 255 F CB -0.353 38.694 39.000 0.079 0.000 1.019 255 F HN -0.004 nan 8.300 nan 0.000 0.489 256 L N 0.596 121.736 121.223 -0.139 0.000 2.017 256 L HA 0.025 4.366 4.340 0.002 0.000 0.208 256 L C 2.479 179.207 176.870 -0.236 0.000 1.073 256 L CA 2.286 56.953 54.840 -0.288 0.000 0.745 256 L CB -1.605 40.343 42.059 -0.185 0.000 0.894 256 L HN 0.188 nan 8.230 nan 0.000 0.432 257 G N -1.098 107.673 108.800 -0.048 0.000 2.440 257 G HA2 -0.265 3.696 3.960 0.002 0.000 0.218 257 G HA3 -0.265 3.696 3.960 0.002 0.000 0.218 257 G C 1.605 176.643 174.900 0.229 0.000 1.154 257 G CA 0.876 46.107 45.100 0.217 0.000 0.767 257 G HN 0.656 nan 8.290 nan 0.000 0.552 258 A N 0.751 123.568 122.820 -0.004 0.000 1.902 258 A HA -0.028 4.293 4.320 0.002 0.000 0.217 258 A C 2.493 179.858 177.584 -0.366 0.000 1.181 258 A CA 1.559 53.451 52.037 -0.241 0.000 0.623 258 A CB -0.327 18.040 19.000 -1.056 0.000 0.818 258 A HN 0.230 nan 8.150 nan 0.000 0.443 259 R N -0.696 119.478 120.500 -0.543 0.000 2.096 259 R HA -0.080 4.262 4.340 0.002 0.000 0.235 259 R C 2.114 178.215 176.300 -0.330 0.000 1.127 259 R CA 1.651 57.440 56.100 -0.517 0.000 0.968 259 R CB -0.747 29.146 30.300 -0.679 0.000 0.861 259 R HN 0.662 nan 8.270 nan 0.000 0.440 260 M N -0.901 118.537 119.600 -0.271 0.000 2.099 260 M HA -0.106 4.376 4.480 0.002 0.000 0.262 260 M C 1.904 178.036 176.300 -0.280 0.000 1.067 260 M CA 1.719 56.859 55.300 -0.265 0.000 1.124 260 M CB -0.321 32.139 32.600 -0.233 0.000 1.353 260 M HN -0.036 nan 8.290 nan 0.000 0.410 261 F N -0.352 119.441 119.950 -0.262 0.000 2.270 261 F HA 0.127 4.655 4.527 0.002 0.000 0.295 261 F C 1.918 177.659 175.800 -0.098 0.000 1.087 261 F CA 1.427 59.284 58.000 -0.239 0.000 1.365 261 F CB -0.148 38.515 39.000 -0.562 0.000 1.056 261 F HN 0.356 nan 8.300 nan 0.000 0.506 262 G N 0.347 109.168 108.800 0.034 0.000 2.179 262 G HA2 -0.217 3.744 3.960 0.002 0.000 0.220 262 G HA3 -0.217 3.744 3.960 0.002 0.000 0.220 262 G C 0.297 175.195 174.900 -0.005 0.000 0.990 262 G CA -0.253 44.842 45.100 -0.009 0.000 0.646 262 G HN 0.348 nan 8.290 nan 0.000 0.517 263 R N -1.690 118.838 120.500 0.047 0.000 2.739 263 R HA 0.525 4.866 4.340 0.002 0.000 0.271 263 R C -0.908 175.499 176.300 0.179 0.000 1.010 263 R CA -0.921 55.242 56.100 0.106 0.000 0.897 263 R CB 1.119 31.538 30.300 0.198 0.000 1.236 263 R HN 0.104 nan 8.270 nan 0.000 0.466 264 W N 1.611 123.044 121.300 0.220 0.000 2.183 264 W HA 0.300 4.961 4.660 0.002 0.000 0.348 264 W C 1.279 177.865 176.519 0.112 0.000 1.257 264 W CA -0.310 57.147 57.345 0.186 0.000 1.324 264 W CB 0.535 30.055 29.460 0.100 0.000 1.144 264 W HN 0.460 nan 8.180 nan 0.000 0.622 265 K N 0.323 120.741 120.400 0.031 0.000 2.286 265 K HA -0.190 4.131 4.320 0.002 0.000 0.203 265 K C 1.948 178.582 176.600 0.056 0.000 1.045 265 K CA 1.697 57.814 56.287 -0.283 0.000 0.935 265 K CB -0.261 31.956 32.500 -0.472 0.000 0.737 265 K HN 0.514 nan 8.250 nan 0.000 0.460 266 S N -0.612 115.182 115.700 0.155 0.000 2.481 266 S HA 0.007 4.479 4.470 0.002 0.000 0.231 266 S C 1.552 176.216 174.600 0.107 0.000 0.996 266 S CA 0.850 59.138 58.200 0.146 0.000 0.942 266 S CB 0.113 63.377 63.200 0.107 0.000 0.768 266 S HN 0.468 nan 8.310 nan 0.000 0.520 267 G N 0.496 109.385 108.800 0.147 0.000 2.201 267 G HA2 -0.029 3.932 3.960 0.002 0.000 0.212 267 G HA3 -0.029 3.932 3.960 0.002 0.000 0.212 267 G C 0.205 175.214 174.900 0.181 0.000 0.994 267 G CA -0.187 44.988 45.100 0.126 0.000 0.644 267 G HN 1.321 nan 8.290 nan 0.000 0.508 268 A N 2.404 125.366 122.820 0.237 0.000 2.476 268 A HA 0.583 4.905 4.320 0.002 0.000 0.275 268 A C -1.310 176.473 177.584 0.332 0.000 1.133 268 A CA -0.418 51.778 52.037 0.266 0.000 0.797 268 A CB -0.009 19.136 19.000 0.242 0.000 1.081 268 A HN 0.281 nan 8.150 nan 0.000 0.510 269 P HA 0.036 nan 4.420 nan 0.000 0.271 269 P C 0.987 178.282 177.300 -0.008 0.000 1.226 269 P CA -0.033 63.053 63.100 -0.024 0.000 0.765 269 P CB 0.519 32.051 31.700 -0.280 0.000 0.835 270 I N -0.182 120.358 120.570 -0.050 0.000 2.850 270 I HA -0.150 4.021 4.170 0.002 0.000 0.266 270 I C 1.220 177.328 176.117 -0.015 0.000 1.257 270 I CA 1.350 62.658 61.300 0.013 0.000 1.465 270 I CB -0.801 37.115 38.000 -0.139 0.000 1.091 270 I HN 0.147 nan 8.210 nan 0.000 0.467 271 D N 1.025 121.315 120.400 -0.184 0.000 2.363 271 D HA 0.032 4.674 4.640 0.002 0.000 0.226 271 D C 1.767 178.035 176.300 -0.053 0.000 1.020 271 D CA 0.852 54.766 54.000 -0.144 0.000 0.892 271 D CB 0.174 40.778 40.800 -0.327 0.000 0.900 271 D HN 0.479 nan 8.370 nan 0.000 0.531 272 L N -1.148 120.063 121.223 -0.020 0.000 2.685 272 L HA 0.426 4.768 4.340 0.002 0.000 0.235 272 L C 0.720 177.653 176.870 0.104 0.000 1.070 272 L CA 0.101 54.977 54.840 0.059 0.000 0.888 272 L CB 0.549 42.657 42.059 0.081 0.000 1.203 272 L HN -0.050 nan 8.230 nan 0.000 0.499 273 A N 0.520 123.445 122.820 0.174 0.000 3.297 273 A HA 0.412 4.734 4.320 0.002 0.000 0.304 273 A C -1.914 175.925 177.584 0.426 0.000 0.963 273 A CA -0.766 51.422 52.037 0.251 0.000 0.935 273 A CB -0.103 19.040 19.000 0.238 0.000 1.093 273 A HN -0.074 nan 8.150 nan 0.000 0.480 274 P HA -0.132 nan 4.420 nan 0.000 0.228 274 P C 0.999 178.541 177.300 0.403 0.000 1.151 274 P CA 1.955 65.231 63.100 0.294 0.000 0.770 274 P CB 0.125 31.923 31.700 0.163 0.000 0.786 275 T N -4.945 109.810 114.554 0.334 0.000 2.954 275 T HA 0.569 4.920 4.350 0.002 0.000 0.252 275 T C 0.639 175.441 174.700 0.170 0.000 0.983 275 T CA 0.165 62.370 62.100 0.174 0.000 0.941 275 T CB 0.318 69.198 68.868 0.019 0.000 1.141 275 T HN 0.137 nan 8.240 nan 0.000 0.500 276 A N 1.187 124.102 122.820 0.157 0.000 2.547 276 A HA 0.609 4.930 4.320 0.002 0.000 0.297 276 A C -1.368 175.731 177.584 -0.807 0.000 1.056 276 A CA -0.759 51.096 52.037 -0.302 0.000 0.688 276 A CB 1.304 20.159 19.000 -0.241 0.000 1.282 276 A HN 0.164 nan 8.150 nan 0.000 0.400 277 D N 0.706 120.005 120.400 -1.836 0.000 2.443 277 D HA 0.202 4.843 4.640 0.002 0.000 0.234 277 D C -0.449 175.451 176.300 -0.666 0.000 1.172 277 D CA 1.141 54.107 54.000 -1.723 0.000 0.878 277 D CB 0.681 40.749 40.800 -1.220 0.000 1.204 277 D HN 0.390 nan 8.370 nan 0.000 0.453 278 D N 2.808 122.970 120.400 -0.396 0.000 2.513 278 D HA 0.228 4.869 4.640 0.002 0.000 0.295 278 D C -2.053 174.193 176.300 -0.089 0.000 1.202 278 D CA -1.791 52.107 54.000 -0.171 0.000 0.849 278 D CB 1.043 41.798 40.800 -0.077 0.000 1.116 278 D HN 0.106 nan 8.370 nan 0.000 0.502 279 P HA -0.250 nan 4.420 nan 0.000 0.216 279 P C 1.316 178.615 177.300 -0.003 0.000 1.167 279 P CA 2.376 65.455 63.100 -0.036 0.000 0.933 279 P CB 0.257 31.930 31.700 -0.046 0.000 0.793 280 A N -1.118 121.697 122.820 -0.009 0.000 1.927 280 A HA -0.243 4.079 4.320 0.002 0.000 0.220 280 A C 2.163 179.760 177.584 0.023 0.000 1.185 280 A CA 2.107 54.149 52.037 0.008 0.000 0.639 280 A CB -1.723 17.278 19.000 0.002 0.000 0.820 280 A HN 0.222 nan 8.150 nan 0.000 0.451 281 L N 0.040 121.277 121.223 0.023 0.000 1.976 281 L HA 0.006 4.347 4.340 0.002 0.000 0.209 281 L C 2.403 179.309 176.870 0.060 0.000 1.071 281 L CA 2.677 57.544 54.840 0.045 0.000 0.746 281 L CB -1.398 40.691 42.059 0.050 0.000 0.890 281 L HN 0.270 nan 8.230 nan 0.000 0.432 282 G N -0.962 107.877 108.800 0.065 0.000 2.475 282 G HA2 -0.278 3.684 3.960 0.002 0.000 0.220 282 G HA3 -0.278 3.684 3.960 0.002 0.000 0.220 282 G C 1.521 176.453 174.900 0.055 0.000 1.125 282 G CA 0.904 46.051 45.100 0.079 0.000 0.755 282 G HN 0.712 nan 8.290 nan 0.000 0.565 283 A N -0.055 122.793 122.820 0.047 0.000 2.067 283 A HA 0.160 4.481 4.320 0.002 0.000 0.217 283 A C 1.113 178.719 177.584 0.035 0.000 1.156 283 A CA 0.957 53.018 52.037 0.040 0.000 0.683 283 A CB -0.068 18.957 19.000 0.042 0.000 0.808 283 A HN 0.320 nan 8.150 nan 0.000 0.455 284 D N 0.114 120.539 120.400 0.041 0.000 2.393 284 D HA 0.217 4.859 4.640 0.002 0.000 0.232 284 D C -1.430 174.895 176.300 0.042 0.000 1.192 284 D CA -2.259 51.772 54.000 0.051 0.000 0.882 284 D CB 1.026 41.861 40.800 0.059 0.000 1.038 284 D HN 0.103 nan 8.370 nan 0.000 0.499 285 P HA -0.169 nan 4.420 nan 0.000 0.226 285 P C 0.745 178.087 177.300 0.070 0.000 1.146 285 P CA 0.753 63.773 63.100 -0.132 0.000 0.773 285 P CB 0.459 32.014 31.700 -0.241 0.000 0.772 286 Q N -0.786 119.128 119.800 0.189 0.000 2.425 286 Q HA 0.096 4.437 4.340 0.002 0.000 0.204 286 Q C 1.800 177.885 176.000 0.142 0.000 0.933 286 Q CA 0.539 56.478 55.803 0.227 0.000 0.939 286 Q CB 0.385 29.223 28.738 0.166 0.000 1.044 286 Q HN 0.434 nan 8.270 nan 0.000 0.513 287 R N -0.439 120.126 120.500 0.107 0.000 2.551 287 R HA 0.029 4.370 4.340 0.002 0.000 0.202 287 R C 1.530 177.903 176.300 0.122 0.000 0.861 287 R CA 0.602 56.764 56.100 0.103 0.000 1.018 287 R CB 0.036 30.390 30.300 0.089 0.000 1.435 287 R HN 0.168 nan 8.270 nan 0.000 0.659 288 N N 1.183 119.945 118.700 0.104 0.000 2.334 288 N HA -0.193 4.548 4.740 0.002 0.000 0.187 288 N C 0.803 176.453 175.510 0.233 0.000 1.016 288 N CA 1.512 54.648 53.050 0.143 0.000 0.879 288 N CB -0.299 38.241 38.487 0.088 0.000 0.965 288 N HN 0.069 nan 8.380 nan 0.000 0.438 289 N N -0.814 117.967 118.700 0.135 0.000 2.338 289 N HA 0.086 4.827 4.740 0.002 0.000 0.251 289 N C -1.223 174.199 175.510 -0.146 0.000 1.199 289 N CA -0.402 52.672 53.050 0.041 0.000 0.879 289 N CB -0.243 38.215 38.487 -0.049 0.000 1.159 289 N HN 0.208 nan 8.380 nan 0.000 0.514 290 N N 0.886 119.614 118.700 0.048 0.000 3.091 290 N HA 0.255 4.996 4.740 0.002 0.000 0.255 290 N C -1.495 174.064 175.510 0.082 0.000 1.204 290 N CA -0.445 52.605 53.050 -0.001 0.000 0.990 290 N CB -0.164 38.365 38.487 0.070 0.000 1.260 290 N HN 0.193 nan 8.380 nan 0.000 0.502 291 F N -0.833 119.082 119.950 -0.059 0.000 2.831 291 F HA 0.529 5.057 4.527 0.002 0.000 0.318 291 F C -0.695 174.981 175.800 -0.207 0.000 1.174 291 F CA -1.048 56.879 58.000 -0.122 0.000 0.918 291 F CB 0.940 39.845 39.000 -0.158 0.000 1.364 291 F HN 0.023 nan 8.300 nan 0.000 0.475 292 D N -1.840 118.538 120.400 -0.038 0.000 2.672 292 D HA 0.047 4.689 4.640 0.002 0.000 0.321 292 D C -0.333 175.947 176.300 -0.034 0.000 1.496 292 D CA -0.108 53.797 54.000 -0.159 0.000 0.901 292 D CB -0.762 40.013 40.800 -0.041 0.000 1.441 292 D HN 0.689 nan 8.370 nan 0.000 0.423 293 Y N 0.575 121.040 120.300 0.274 0.000 4.753 293 Y HA -0.311 4.241 4.550 0.002 0.000 0.232 293 Y C 1.988 177.960 175.900 0.119 0.000 1.029 293 Y CA 0.699 58.899 58.100 0.167 0.000 1.996 293 Y CB -2.860 35.688 38.460 0.146 0.000 1.602 293 Y HN 0.290 nan 8.280 nan 0.000 0.621 294 S N -0.321 115.493 115.700 0.190 0.000 2.447 294 S HA -0.107 4.364 4.470 0.002 0.000 0.233 294 S C 1.246 175.919 174.600 0.122 0.000 1.006 294 S CA 1.170 59.453 58.200 0.139 0.000 0.957 294 S CB -0.160 63.099 63.200 0.098 0.000 0.773 294 S HN 0.604 nan 8.310 nan 0.000 0.507 295 D N -0.217 120.258 120.400 0.125 0.000 2.342 295 D HA 0.149 4.790 4.640 0.002 0.000 0.221 295 D C 0.581 176.942 176.300 0.102 0.000 1.101 295 D CA 0.107 54.166 54.000 0.099 0.000 0.837 295 D CB 0.112 40.962 40.800 0.085 0.000 0.938 295 D HN 0.312 nan 8.370 nan 0.000 0.508 296 T N -0.314 114.322 114.554 0.137 0.000 4.314 296 T HA 0.219 4.571 4.350 0.002 0.000 0.234 296 T C 0.611 175.421 174.700 0.184 0.000 0.954 296 T CA -0.335 61.836 62.100 0.118 0.000 1.329 296 T CB -0.842 68.079 68.868 0.088 0.000 0.883 296 T HN 0.053 nan 8.240 nan 0.000 0.577 297 L N 0.651 121.985 121.223 0.185 0.000 2.102 297 L HA 0.192 4.533 4.340 0.002 0.000 0.202 297 L C 2.362 179.391 176.870 0.265 0.000 1.076 297 L CA 1.430 56.391 54.840 0.201 0.000 0.761 297 L CB -0.064 42.067 42.059 0.119 0.000 0.921 297 L HN 0.504 nan 8.230 nan 0.000 0.444 298 T N -4.161 110.521 114.554 0.212 0.000 3.215 298 T HA 0.229 4.580 4.350 0.002 0.000 0.271 298 T C -0.362 174.481 174.700 0.239 0.000 1.012 298 T CA -0.500 61.740 62.100 0.233 0.000 0.899 298 T CB -0.168 68.767 68.868 0.112 0.000 1.089 298 T HN 0.213 nan 8.240 nan 0.000 0.552 299 D N -0.235 120.268 120.400 0.172 0.000 2.756 299 D HA 0.279 4.921 4.640 0.002 0.000 0.226 299 D C -0.154 175.986 176.300 -0.266 0.000 1.186 299 D CA -0.740 53.252 54.000 -0.013 0.000 0.845 299 D CB 1.689 42.493 40.800 0.008 0.000 1.610 299 D HN 0.029 nan 8.370 nan 0.000 0.465 300 E N 1.178 121.161 120.200 -0.361 0.000 2.569 300 E HA 0.115 4.466 4.350 0.002 0.000 0.205 300 E C 0.565 177.023 176.600 -0.237 0.000 1.006 300 E CA -0.051 56.052 56.400 -0.495 0.000 0.985 300 E CB 0.705 30.028 29.700 -0.628 0.000 1.060 300 E HN 0.489 nan 8.360 nan 0.000 0.460 301 T N 1.114 115.592 114.554 -0.126 0.000 2.701 301 T HA -0.118 4.234 4.350 0.002 0.000 0.263 301 T C 1.872 176.563 174.700 -0.015 0.000 1.040 301 T CA 1.110 63.185 62.100 -0.042 0.000 1.147 301 T CB 0.039 68.904 68.868 -0.005 0.000 0.865 301 T HN 0.181 nan 8.240 nan 0.000 0.426 302 R N -0.727 119.762 120.500 -0.018 0.000 2.093 302 R HA 0.217 4.558 4.340 0.002 0.000 0.224 302 R C 0.753 177.036 176.300 -0.028 0.000 1.101 302 R CA 0.434 56.543 56.100 0.014 0.000 0.979 302 R CB -0.013 30.310 30.300 0.038 0.000 0.877 302 R HN 0.297 nan 8.270 nan 0.000 0.441 303 C N 0.799 120.048 119.300 -0.085 0.000 2.752 303 C HA 0.412 4.873 4.460 0.002 0.000 0.360 303 C C -2.760 172.072 174.990 -0.264 0.000 1.081 303 C CA -2.254 56.684 59.018 -0.134 0.000 1.272 303 C CB 1.629 29.358 27.740 -0.019 0.000 1.754 303 C HN 0.102 nan 8.230 nan 0.000 0.483 304 P HA 0.179 nan 4.420 nan 0.000 0.269 304 P C 0.355 177.474 177.300 -0.302 0.000 1.209 304 P CA 0.082 62.972 63.100 -0.349 0.000 0.776 304 P CB 0.233 31.767 31.700 -0.276 0.000 0.876 305 F N 1.380 121.214 119.950 -0.194 0.000 2.171 305 F HA -0.029 4.500 4.527 0.002 0.000 0.300 305 F C 2.350 178.001 175.800 -0.250 0.000 1.090 305 F CA 1.805 59.657 58.000 -0.247 0.000 1.293 305 F CB -1.519 37.346 39.000 -0.226 0.000 1.013 305 F HN 0.396 nan 8.300 nan 0.000 0.486 306 G N -0.721 108.066 108.800 -0.022 0.000 3.233 306 G HA2 0.360 4.321 3.960 0.002 0.000 0.227 306 G HA3 0.360 4.321 3.960 0.002 0.000 0.227 306 G C 0.536 175.369 174.900 -0.111 0.000 1.175 306 G CA 0.271 45.330 45.100 -0.069 0.000 0.781 306 G HN 0.412 nan 8.290 nan 0.000 0.542 307 A N 0.071 122.807 122.820 -0.139 0.000 2.498 307 A HA 0.294 4.616 4.320 0.002 0.000 0.239 307 A C 1.240 178.780 177.584 -0.073 0.000 1.068 307 A CA 0.300 52.258 52.037 -0.132 0.000 0.766 307 A CB 0.215 19.134 19.000 -0.134 0.000 1.003 307 A HN 0.520 nan 8.150 nan 0.000 0.497 308 H N 2.069 121.033 119.070 -0.177 0.000 2.268 308 H HA -0.246 4.312 4.556 0.002 0.000 0.288 308 H C 1.830 177.168 175.328 0.017 0.000 1.088 308 H CA 3.906 59.879 56.048 -0.126 0.000 1.182 308 H CB -0.381 29.255 29.762 -0.211 0.000 1.348 308 H HN 0.604 nan 8.280 nan 0.000 0.499 309 V N -0.872 119.064 119.914 0.036 0.000 2.594 309 V HA -0.139 3.983 4.120 0.002 0.000 0.253 309 V C 2.456 178.610 176.094 0.099 0.000 1.069 309 V CA 2.261 64.602 62.300 0.069 0.000 1.082 309 V CB -0.787 31.205 31.823 0.281 0.000 0.680 309 V HN 0.399 nan 8.190 nan 0.000 0.469 310 R N -0.019 120.483 120.500 0.003 0.000 2.148 310 R HA -0.011 4.331 4.340 0.002 0.000 0.223 310 R C 2.279 178.471 176.300 -0.180 0.000 1.088 310 R CA 0.866 56.849 56.100 -0.195 0.000 0.985 310 R CB -0.026 29.966 30.300 -0.513 0.000 0.880 310 R HN 0.450 nan 8.270 nan 0.000 0.451 311 K N -0.438 119.888 120.400 -0.123 0.000 2.137 311 K HA -0.017 4.305 4.320 0.002 0.000 0.202 311 K C 1.951 178.539 176.600 -0.020 0.000 1.052 311 K CA 1.656 57.900 56.287 -0.072 0.000 0.961 311 K CB -0.058 32.427 32.500 -0.025 0.000 0.741 311 K HN 0.311 nan 8.250 nan 0.000 0.452 312 T N -0.802 113.743 114.554 -0.016 0.000 3.035 312 T HA -0.049 4.302 4.350 0.002 0.000 0.268 312 T C 0.630 175.485 174.700 0.259 0.000 1.109 312 T CA 0.588 62.776 62.100 0.147 0.000 1.119 312 T CB -0.105 68.735 68.868 -0.047 0.000 0.900 312 T HN 0.006 nan 8.240 nan 0.000 0.503 313 N N 0.819 119.569 118.700 0.083 0.000 2.839 313 N HA 0.319 5.061 4.740 0.002 0.000 0.230 313 N C -2.870 172.674 175.510 0.056 0.000 1.388 313 N CA -1.710 51.399 53.050 0.099 0.000 0.747 313 N CB 1.457 40.076 38.487 0.219 0.000 1.411 313 N HN -0.160 nan 8.380 nan 0.000 0.556 314 P HA -0.154 nan 4.420 nan 0.000 0.218 314 P C 0.271 177.671 177.300 0.167 0.000 1.146 314 P CA 0.917 63.933 63.100 -0.139 0.000 0.813 314 P CB 0.162 31.669 31.700 -0.321 0.000 0.778 315 R N -2.335 118.285 120.500 0.202 0.000 3.883 315 R HA -0.323 4.018 4.340 0.002 0.000 0.407 315 R C 1.618 178.039 176.300 0.201 0.000 0.242 315 R CA 1.966 58.206 56.100 0.233 0.000 1.306 315 R CB -2.222 28.226 30.300 0.248 0.000 0.973 315 R HN 0.101 nan 8.270 nan 0.000 0.574 316 Q N 1.219 121.152 119.800 0.222 0.000 2.439 316 Q HA -0.065 4.276 4.340 0.002 0.000 0.211 316 Q C 0.953 177.027 176.000 0.123 0.000 0.978 316 Q CA 1.667 57.569 55.803 0.164 0.000 0.897 316 Q CB -0.151 28.685 28.738 0.163 0.000 0.956 316 Q HN 0.304 nan 8.270 nan 0.000 0.483 317 D N -0.958 119.498 120.400 0.094 0.000 2.378 317 D HA -0.087 4.554 4.640 0.002 0.000 0.222 317 D C 0.465 176.757 176.300 -0.012 0.000 0.980 317 D CA 0.382 54.355 54.000 -0.045 0.000 0.907 317 D CB 0.355 41.020 40.800 -0.226 0.000 0.899 317 D HN 0.228 nan 8.370 nan 0.000 0.527 318 L N -0.906 120.368 121.223 0.086 0.000 2.607 318 L HA 0.247 4.589 4.340 0.002 0.000 0.228 318 L C 1.821 178.775 176.870 0.140 0.000 1.123 318 L CA 0.469 55.406 54.840 0.162 0.000 0.890 318 L CB -0.128 42.075 42.059 0.240 0.000 1.103 318 L HN 0.144 nan 8.230 nan 0.000 0.468 319 G N -1.368 107.494 108.800 0.103 0.000 2.217 319 G HA2 -0.068 3.893 3.960 0.002 0.000 0.246 319 G HA3 -0.068 3.893 3.960 0.002 0.000 0.246 319 G C 0.670 175.627 174.900 0.095 0.000 0.990 319 G CA 0.083 45.237 45.100 0.089 0.000 0.627 319 G HN 0.894 nan 8.290 nan 0.000 0.522 320 G N -1.278 107.592 108.800 0.116 0.000 2.324 320 G HA2 0.589 4.550 3.960 0.002 0.000 0.293 320 G HA3 0.589 4.550 3.960 0.002 0.000 0.293 320 G C -3.179 171.804 174.900 0.139 0.000 1.297 320 G CA 0.110 45.276 45.100 0.110 0.000 0.853 320 G HN 0.466 nan 8.290 nan 0.000 0.535 321 P HA 0.465 nan 4.420 nan 0.000 0.269 321 P C -0.625 176.780 177.300 0.175 0.000 1.209 321 P CA -0.214 62.979 63.100 0.155 0.000 0.776 321 P CB 1.270 33.032 31.700 0.103 0.000 0.876 322 V N 2.639 122.701 119.914 0.247 0.000 2.612 322 V HA 0.087 4.208 4.120 0.002 0.000 0.301 322 V C 0.515 176.742 176.094 0.220 0.000 1.059 322 V CA -0.434 61.992 62.300 0.209 0.000 0.886 322 V CB 1.763 33.759 31.823 0.287 0.000 1.007 322 V HN 0.423 nan 8.190 nan 0.000 0.426 323 D N 2.344 122.794 120.400 0.083 0.000 2.137 323 D HA -0.107 4.534 4.640 0.002 0.000 0.193 323 D C 1.399 177.708 176.300 0.015 0.000 0.993 323 D CA 2.185 56.221 54.000 0.060 0.000 0.846 323 D CB -0.228 40.552 40.800 -0.032 0.000 0.990 323 D HN 0.786 nan 8.370 nan 0.000 0.448 324 T N -1.599 112.753 114.554 -0.337 0.000 2.709 324 T HA -0.004 4.347 4.350 0.002 0.000 0.345 324 T C 0.607 174.844 174.700 -0.772 0.000 1.086 324 T CA 0.309 61.995 62.100 -0.690 0.000 1.084 324 T CB 0.316 68.428 68.868 -1.261 0.000 1.000 324 T HN 0.236 nan 8.240 nan 0.000 0.549 325 F N -2.610 117.251 119.950 -0.149 0.000 2.498 325 F HA -0.210 4.318 4.527 0.002 0.000 0.563 325 F C 0.956 176.731 175.800 -0.042 0.000 0.514 325 F CA 0.985 58.868 58.000 -0.195 0.000 1.189 325 F CB -2.300 36.553 39.000 -0.244 0.000 1.924 325 F HN 0.748 nan 8.300 nan 0.000 0.261 326 H N 0.699 119.904 119.070 0.223 0.000 2.629 326 H HA 0.746 5.303 4.556 0.002 0.000 0.357 326 H C 0.410 175.861 175.328 0.205 0.000 1.121 326 H CA 0.655 56.840 56.048 0.229 0.000 1.406 326 H CB 1.392 31.257 29.762 0.172 0.000 1.456 326 H HN 0.405 nan 8.280 nan 0.000 0.579 327 A N 3.053 126.083 122.820 0.349 0.000 2.609 327 A HA 0.484 4.805 4.320 0.002 0.000 0.291 327 A C -0.859 176.890 177.584 0.274 0.000 1.096 327 A CA -0.841 51.373 52.037 0.296 0.000 0.684 327 A CB 1.750 20.934 19.000 0.306 0.000 1.282 327 A HN 0.471 nan 8.150 nan 0.000 0.412 328 M N 1.187 120.944 119.600 0.262 0.000 2.209 328 M HA 0.445 4.927 4.480 0.002 0.000 0.355 328 M C -0.041 176.373 176.300 0.190 0.000 1.171 328 M CA 0.125 55.572 55.300 0.245 0.000 1.069 328 M CB 0.921 33.687 32.600 0.275 0.000 1.622 328 M HN 0.717 nan 8.290 nan 0.000 0.459 329 R N 0.596 121.177 120.500 0.135 0.000 2.589 329 R HA 0.521 4.862 4.340 0.002 0.000 0.293 329 R C -0.163 176.166 176.300 0.049 0.000 0.963 329 R CA -0.383 55.716 56.100 -0.002 0.000 0.905 329 R CB 1.741 32.054 30.300 0.022 0.000 1.144 329 R HN 0.694 nan 8.270 nan 0.000 0.459 330 S N 1.050 116.744 115.700 -0.011 0.000 2.598 330 S HA 0.175 4.647 4.470 0.002 0.000 0.209 330 S C -0.809 173.840 174.600 0.082 0.000 1.029 330 S CA -0.403 57.854 58.200 0.095 0.000 1.172 330 S CB 0.301 63.631 63.200 0.217 0.000 1.427 330 S HN 0.571 nan 8.310 nan 0.000 0.418 331 S N 1.565 117.279 115.700 0.023 0.000 2.645 331 S HA 0.694 5.165 4.470 0.002 0.000 0.266 331 S C -0.298 174.401 174.600 0.165 0.000 1.258 331 S CA -0.535 57.711 58.200 0.076 0.000 0.990 331 S CB 1.152 64.387 63.200 0.058 0.000 0.967 331 S HN 0.696 nan 8.310 nan 0.000 0.556 332 I N 1.163 121.865 120.570 0.220 0.000 2.722 332 I HA 0.399 4.570 4.170 0.002 0.000 0.292 332 I C -2.942 173.320 176.117 0.242 0.000 1.267 332 I CA -2.620 58.808 61.300 0.213 0.000 1.036 332 I CB 2.508 40.647 38.000 0.231 0.000 1.281 332 I HN 0.404 nan 8.210 nan 0.000 0.423 333 P HA 0.237 nan 4.420 nan 0.000 0.272 333 P C -1.967 175.518 177.300 0.309 0.000 1.240 333 P CA 0.324 63.530 63.100 0.176 0.000 0.791 333 P CB 0.315 31.975 31.700 -0.067 0.000 0.978 334 Y N -1.721 118.734 120.300 0.259 0.000 2.571 334 Y HA 0.723 5.275 4.550 0.002 0.000 0.341 334 Y C -0.174 175.857 175.900 0.218 0.000 1.076 334 Y CA -0.900 57.325 58.100 0.208 0.000 1.029 334 Y CB 0.913 39.458 38.460 0.142 0.000 1.308 334 Y HN 0.874 nan 8.280 nan 0.000 0.461 335 G N 2.235 111.146 108.800 0.186 0.000 2.699 335 G HA2 0.056 4.017 3.960 0.002 0.000 0.686 335 G HA3 0.056 4.017 3.960 0.002 0.000 0.686 335 G C -3.153 171.755 174.900 0.014 0.000 1.301 335 G CA -0.744 44.354 45.100 -0.003 0.000 0.816 335 G HN 0.720 nan 8.290 nan 0.000 0.595 336 P HA 0.351 nan 4.420 nan 0.000 0.274 336 P C -0.339 176.958 177.300 -0.005 0.000 1.256 336 P CA -0.129 62.981 63.100 0.018 0.000 0.795 336 P CB 0.774 32.480 31.700 0.009 0.000 1.038 337 E N -0.092 120.140 120.200 0.054 0.000 2.349 337 E HA 0.160 4.512 4.350 0.002 0.000 0.262 337 E C 0.209 176.819 176.600 0.017 0.000 1.088 337 E CA -0.157 56.284 56.400 0.068 0.000 0.899 337 E CB 0.134 29.880 29.700 0.076 0.000 1.044 337 E HN 0.462 nan 8.360 nan 0.000 0.420 338 T N -1.019 113.549 114.554 0.023 0.000 2.902 338 T HA 0.139 4.490 4.350 0.002 0.000 0.301 338 T C 0.637 175.350 174.700 0.022 0.000 1.012 338 T CA -0.568 61.542 62.100 0.016 0.000 1.151 338 T CB 0.291 69.180 68.868 0.036 0.000 0.946 338 T HN 0.394 nan 8.240 nan 0.000 0.542 339 S N 2.318 118.028 115.700 0.017 0.000 2.634 339 S HA 0.185 4.656 4.470 0.002 0.000 0.261 339 S C 0.426 175.039 174.600 0.022 0.000 1.271 339 S CA -0.383 57.828 58.200 0.019 0.000 0.985 339 S CB 0.498 63.708 63.200 0.017 0.000 0.968 339 S HN 0.733 nan 8.310 nan 0.000 0.568 340 D N 0.624 121.036 120.400 0.020 0.000 2.234 340 D HA 0.171 4.812 4.640 0.002 0.000 0.205 340 D C 2.023 178.336 176.300 0.021 0.000 0.962 340 D CA 1.154 55.166 54.000 0.020 0.000 0.855 340 D CB -0.364 40.446 40.800 0.017 0.000 0.951 340 D HN 0.625 nan 8.370 nan 0.000 0.500 341 A N 0.812 123.644 122.820 0.021 0.000 1.930 341 A HA -0.173 4.149 4.320 0.002 0.000 0.217 341 A C 1.966 179.566 177.584 0.025 0.000 1.175 341 A CA 1.138 53.188 52.037 0.022 0.000 0.627 341 A CB -0.356 18.657 19.000 0.021 0.000 0.815 341 A HN 0.133 nan 8.150 nan 0.000 0.443 342 E N -0.085 120.131 120.200 0.027 0.000 2.072 342 E HA -0.111 4.240 4.350 0.002 0.000 0.191 342 E C 1.899 178.520 176.600 0.036 0.000 0.985 342 E CA 1.104 57.523 56.400 0.032 0.000 0.801 342 E CB -0.277 29.441 29.700 0.031 0.000 0.750 342 E HN 0.615 nan 8.360 nan 0.000 0.452 343 L N 0.559 121.802 121.223 0.033 0.000 2.141 343 L HA -0.120 4.221 4.340 0.002 0.000 0.209 343 L C 2.539 179.426 176.870 0.029 0.000 1.094 343 L CA 0.819 55.680 54.840 0.034 0.000 0.763 343 L CB -0.391 41.688 42.059 0.032 0.000 0.908 343 L HN 0.129 nan 8.230 nan 0.000 0.437 344 A N 0.036 122.872 122.820 0.026 0.000 1.898 344 A HA -0.163 4.158 4.320 0.002 0.000 0.216 344 A C 2.435 180.034 177.584 0.025 0.000 1.181 344 A CA 1.840 53.891 52.037 0.023 0.000 0.620 344 A CB -0.469 18.543 19.000 0.020 0.000 0.819 344 A HN 0.486 nan 8.150 nan 0.000 0.442 345 S N -2.092 113.625 115.700 0.029 0.000 2.535 345 S HA 0.385 4.856 4.470 0.002 0.000 0.214 345 S C 1.353 175.977 174.600 0.039 0.000 0.980 345 S CA 0.974 59.193 58.200 0.032 0.000 0.907 345 S CB -0.246 62.973 63.200 0.032 0.000 0.790 345 S HN 1.883 nan 8.310 nan 0.000 0.510 346 G N 0.611 109.435 108.800 0.041 0.000 2.225 346 G HA2 -0.206 3.755 3.960 0.002 0.000 0.267 346 G HA3 -0.206 3.755 3.960 0.002 0.000 0.267 346 G C -0.090 174.848 174.900 0.063 0.000 1.024 346 G CA 0.388 45.517 45.100 0.050 0.000 0.784 346 G HN 0.763 nan 8.290 nan 0.000 0.507 347 V N -0.316 119.633 119.914 0.058 0.000 2.789 347 V HA 0.620 4.741 4.120 0.002 0.000 0.311 347 V C 0.569 176.699 176.094 0.059 0.000 1.073 347 V CA -0.480 61.860 62.300 0.065 0.000 0.921 347 V CB 2.164 34.021 31.823 0.057 0.000 1.009 347 V HN 0.272 nan 8.190 nan 0.000 0.426 348 T N 3.275 117.870 114.554 0.068 0.000 2.814 348 T HA 0.467 4.819 4.350 0.002 0.000 0.297 348 T C 0.700 175.427 174.700 0.044 0.000 0.956 348 T CA 0.585 62.717 62.100 0.054 0.000 1.123 348 T CB 1.357 70.264 68.868 0.065 0.000 0.902 348 T HN 0.937 nan 8.240 nan 0.000 0.528 349 A N 3.483 126.322 122.820 0.031 0.000 2.427 349 A HA 0.301 4.622 4.320 0.002 0.000 0.225 349 A C 0.585 178.185 177.584 0.027 0.000 1.257 349 A CA -0.073 51.983 52.037 0.031 0.000 0.985 349 A CB 0.490 19.507 19.000 0.029 0.000 1.136 349 A HN 0.708 nan 8.150 nan 0.000 0.538 350 Q N 0.180 119.988 119.800 0.014 0.000 2.377 350 Q HA 0.365 4.706 4.340 0.002 0.000 0.271 350 Q C -1.725 174.271 176.000 -0.006 0.000 1.077 350 Q CA -0.886 54.922 55.803 0.008 0.000 0.820 350 Q CB 2.118 30.852 28.738 -0.006 0.000 1.347 350 Q HN 0.238 nan 8.270 nan 0.000 0.444 351 D N 2.491 122.909 120.400 0.031 0.000 2.352 351 D HA 0.113 4.754 4.640 0.002 0.000 0.245 351 D C -0.931 175.345 176.300 -0.040 0.000 1.224 351 D CA -0.030 54.012 54.000 0.070 0.000 0.879 351 D CB 0.338 41.253 40.800 0.192 0.000 1.057 351 D HN 0.444 nan 8.370 nan 0.000 0.491 352 R N 1.846 122.172 120.500 -0.289 0.000 2.740 352 R HA 0.825 5.166 4.340 0.002 0.000 0.273 352 R C -0.264 175.524 176.300 -0.854 0.000 0.998 352 R CA -1.132 54.483 56.100 -0.808 0.000 0.900 352 R CB 1.724 31.515 30.300 -0.849 0.000 1.223 352 R HN 0.399 nan 8.270 nan 0.000 0.466 353 G N 0.756 108.847 108.800 -1.181 0.000 2.539 353 G HA2 0.368 4.329 3.960 0.002 0.000 0.138 353 G HA3 0.368 4.329 3.960 0.002 0.000 0.138 353 G C -2.124 172.768 174.900 -0.014 0.000 1.148 353 G CA -0.331 44.538 45.100 -0.386 0.000 1.057 353 G HN 0.531 nan 8.290 nan 0.000 0.511 354 L N 0.467 121.908 121.223 0.363 0.000 2.470 354 L HA 0.684 5.026 4.340 0.002 0.000 0.268 354 L C -1.046 176.059 176.870 0.391 0.000 0.964 354 L CA -0.550 54.526 54.840 0.393 0.000 0.839 354 L CB 1.862 44.106 42.059 0.308 0.000 1.276 354 L HN 0.454 nan 8.230 nan 0.000 0.403 355 L N 5.829 127.227 121.223 0.293 0.000 2.389 355 L HA 0.267 4.608 4.340 0.002 0.000 0.265 355 L C -0.394 176.462 176.870 -0.022 0.000 1.167 355 L CA -0.258 54.583 54.840 0.001 0.000 1.045 355 L CB -0.145 41.988 42.059 0.124 0.000 1.351 355 L HN 0.547 nan 8.230 nan 0.000 0.419 356 F N 3.606 123.386 119.950 -0.282 0.000 2.538 356 F HA 0.295 4.823 4.527 0.002 0.000 0.371 356 F C -0.052 175.585 175.800 -0.272 0.000 1.087 356 F CA 0.053 57.956 58.000 -0.163 0.000 1.250 356 F CB 0.753 39.738 39.000 -0.025 0.000 1.110 356 F HN -0.021 nan 8.300 nan 0.000 0.570 357 V N 6.024 125.487 119.914 -0.750 0.000 2.569 357 V HA 0.327 4.449 4.120 0.002 0.000 0.301 357 V C -0.861 174.763 176.094 -0.783 0.000 1.044 357 V CA -0.851 61.119 62.300 -0.550 0.000 0.874 357 V CB 1.598 33.311 31.823 -0.185 0.000 1.002 357 V HN 0.777 nan 8.190 nan 0.000 0.424 358 E N 3.215 123.036 120.200 -0.631 0.000 2.256 358 E HA 0.635 4.987 4.350 0.002 0.000 0.268 358 E C -1.996 174.466 176.600 -0.230 0.000 0.877 358 E CA -0.586 55.610 56.400 -0.340 0.000 0.757 358 E CB 2.004 31.695 29.700 -0.014 0.000 1.183 358 E HN 0.593 nan 8.360 nan 0.000 0.418 359 Y N 2.536 122.917 120.300 0.135 0.000 2.446 359 Y HA 0.410 4.961 4.550 0.002 0.000 0.338 359 Y C 0.109 176.123 175.900 0.189 0.000 1.055 359 Y CA -0.449 57.751 58.100 0.166 0.000 1.101 359 Y CB 1.766 40.285 38.460 0.098 0.000 1.221 359 Y HN 0.416 nan 8.280 nan 0.000 0.460 360 Q N -0.672 119.366 119.800 0.396 0.000 2.647 360 Q HA 0.241 4.582 4.340 0.002 0.000 0.283 360 Q C -0.574 175.627 176.000 0.335 0.000 0.943 360 Q CA -0.367 55.617 55.803 0.302 0.000 0.813 360 Q CB 0.983 29.881 28.738 0.266 0.000 1.477 360 Q HN 0.645 nan 8.270 nan 0.000 0.393 361 S N 0.343 116.194 115.700 0.252 0.000 2.453 361 S HA 0.182 4.654 4.470 0.002 0.000 0.231 361 S C 0.926 175.717 174.600 0.319 0.000 1.005 361 S CA 0.581 58.956 58.200 0.291 0.000 0.949 361 S CB -0.182 63.109 63.200 0.152 0.000 0.774 361 S HN 0.525 nan 8.310 nan 0.000 0.510 362 I N 1.647 122.320 120.570 0.171 0.000 2.466 362 I HA 0.345 4.516 4.170 0.002 0.000 0.279 362 I C 0.672 176.801 176.117 0.021 0.000 1.033 362 I CA -0.547 60.775 61.300 0.036 0.000 1.123 362 I CB 1.387 39.386 38.000 -0.003 0.000 1.237 362 I HN 0.075 nan 8.210 nan 0.000 0.460 363 I N 3.994 124.512 120.570 -0.088 0.000 2.145 363 I HA -0.277 3.895 4.170 0.002 0.000 0.244 363 I C 2.480 178.601 176.117 0.007 0.000 1.075 363 I CA 2.120 63.390 61.300 -0.049 0.000 1.332 363 I CB -0.390 37.410 38.000 -0.334 0.000 1.033 363 I HN 0.784 nan 8.210 nan 0.000 0.410 364 G N 0.656 109.424 108.800 -0.053 0.000 2.470 364 G HA2 -0.205 3.756 3.960 0.002 0.000 0.220 364 G HA3 -0.205 3.756 3.960 0.002 0.000 0.220 364 G C 1.329 176.288 174.900 0.099 0.000 1.121 364 G CA 0.649 45.752 45.100 0.005 0.000 0.766 364 G HN 0.364 nan 8.290 nan 0.000 0.553 365 N N 0.259 119.005 118.700 0.076 0.000 2.356 365 N HA 0.091 4.833 4.740 0.002 0.000 0.178 365 N C 1.765 177.370 175.510 0.158 0.000 1.075 365 N CA 0.793 53.890 53.050 0.079 0.000 0.889 365 N CB 0.410 38.854 38.487 -0.073 0.000 0.999 365 N HN 0.326 nan 8.380 nan 0.000 0.464 366 G N 0.327 109.232 108.800 0.175 0.000 2.754 366 G HA2 0.011 3.972 3.960 0.002 0.000 0.210 366 G HA3 0.011 3.972 3.960 0.002 0.000 0.210 366 G C 0.988 176.039 174.900 0.252 0.000 2.092 366 G CA -0.095 45.145 45.100 0.232 0.000 0.766 366 G HN 0.098 nan 8.290 nan 0.000 0.745 367 F N 1.541 121.616 119.950 0.208 0.000 2.027 367 F HA -0.145 4.383 4.527 0.002 0.000 0.297 367 F C 2.738 178.629 175.800 0.150 0.000 1.129 367 F CA 2.613 60.757 58.000 0.241 0.000 1.195 367 F CB -0.409 38.784 39.000 0.323 0.000 0.960 367 F HN 0.122 nan 8.300 nan 0.000 0.485 368 R N -1.108 119.221 120.500 -0.286 0.000 2.091 368 R HA -0.213 4.128 4.340 0.002 0.000 0.238 368 R C 2.400 178.494 176.300 -0.344 0.000 1.136 368 R CA 1.937 57.782 56.100 -0.424 0.000 0.959 368 R CB -0.785 29.442 30.300 -0.120 0.000 0.856 368 R HN 0.449 nan 8.270 nan 0.000 0.437 369 F N 1.323 121.053 119.950 -0.366 0.000 2.146 369 F HA -0.198 4.330 4.527 0.002 0.000 0.298 369 F C 2.270 177.618 175.800 -0.753 0.000 1.096 369 F CA 1.655 59.314 58.000 -0.569 0.000 1.275 369 F CB -0.036 38.611 39.000 -0.589 0.000 1.008 369 F HN 0.036 nan 8.300 nan 0.000 0.480 370 Q N -0.546 119.036 119.800 -0.363 0.000 2.084 370 Q HA -0.270 4.072 4.340 0.002 0.000 0.202 370 Q C 2.109 177.973 176.000 -0.226 0.000 0.978 370 Q CA 1.866 57.549 55.803 -0.200 0.000 0.844 370 Q CB -0.260 28.526 28.738 0.081 0.000 0.898 370 Q HN 0.403 nan 8.270 nan 0.000 0.426 371 Q N 0.746 120.336 119.800 -0.350 0.000 1.946 371 Q HA -0.097 4.244 4.340 0.002 0.000 0.199 371 Q C 1.816 177.629 176.000 -0.312 0.000 0.979 371 Q CA 1.558 57.165 55.803 -0.326 0.000 0.834 371 Q CB -0.214 28.232 28.738 -0.487 0.000 0.899 371 Q HN 0.361 nan 8.270 nan 0.000 0.431 372 I N 0.280 120.620 120.570 -0.383 0.000 2.113 372 I HA -0.271 3.901 4.170 0.002 0.000 0.238 372 I C 1.812 177.673 176.117 -0.427 0.000 1.070 372 I CA 1.741 62.830 61.300 -0.351 0.000 1.332 372 I CB -0.445 37.358 38.000 -0.327 0.000 1.044 372 I HN 0.309 nan 8.210 nan 0.000 0.402 373 N N -1.092 117.165 118.700 -0.737 0.000 2.463 373 N HA -0.093 4.649 4.740 0.002 0.000 0.181 373 N C 1.103 176.228 175.510 -0.642 0.000 1.078 373 N CA 0.419 52.951 53.050 -0.864 0.000 0.902 373 N CB 0.212 37.687 38.487 -1.687 0.000 0.970 373 N HN 0.350 nan 8.380 nan 0.000 0.451 374 W N 0.465 121.336 121.300 -0.715 0.000 3.797 374 W HA 0.427 5.089 4.660 0.003 0.000 0.217 374 W C 2.293 178.636 176.519 -0.294 0.000 0.934 374 W CA -0.139 56.803 57.345 -0.672 0.000 2.464 374 W CB -1.370 27.664 29.460 -0.710 0.000 1.165 374 W HN -0.148 nan 8.180 nan 0.000 0.677 375 A N 1.289 124.117 122.820 0.014 0.000 1.892 375 A HA -0.251 4.070 4.320 0.002 0.000 0.218 375 A C 1.670 179.217 177.584 -0.062 0.000 1.188 375 A CA 2.471 54.492 52.037 -0.027 0.000 0.631 375 A CB -0.949 18.023 19.000 -0.047 0.000 0.822 375 A HN 0.351 nan 8.150 nan 0.000 0.447 376 N N -0.115 118.524 118.700 -0.101 0.000 2.463 376 N HA -0.029 4.712 4.740 0.002 0.000 0.181 376 N C 0.147 175.606 175.510 -0.086 0.000 1.078 376 N CA 0.314 53.303 53.050 -0.101 0.000 0.902 376 N CB -0.346 38.065 38.487 -0.127 0.000 0.970 376 N HN 0.439 nan 8.380 nan 0.000 0.451 377 N N 0.823 119.477 118.700 -0.078 0.000 2.437 377 N HA 0.236 4.977 4.740 0.002 0.000 0.243 377 N C 0.630 176.107 175.510 -0.056 0.000 1.041 377 N CA -0.178 52.838 53.050 -0.057 0.000 0.940 377 N CB 1.074 39.535 38.487 -0.043 0.000 1.133 377 N HN 0.022 nan 8.380 nan 0.000 0.506 378 A N 4.012 126.794 122.820 -0.063 0.000 1.978 378 A HA -0.150 4.171 4.320 0.002 0.000 0.220 378 A C 1.488 178.994 177.584 -0.131 0.000 1.170 378 A CA 1.237 53.229 52.037 -0.075 0.000 0.636 378 A CB -0.173 18.796 19.000 -0.052 0.000 0.810 378 A HN 0.707 nan 8.150 nan 0.000 0.448 379 N N -1.622 116.974 118.700 -0.172 0.000 2.383 379 N HA 0.149 4.891 4.740 0.002 0.000 0.192 379 N C -0.659 174.332 175.510 -0.864 0.000 1.141 379 N CA 0.115 52.962 53.050 -0.338 0.000 0.851 379 N CB -0.044 38.380 38.487 -0.104 0.000 0.976 379 N HN 0.509 nan 8.380 nan 0.000 0.465 380 F N 1.531 121.032 119.950 -0.748 0.000 2.469 380 F HA 0.482 5.010 4.527 0.002 0.000 0.332 380 F C -2.384 173.115 175.800 -0.502 0.000 1.103 380 F CA -2.482 55.027 58.000 -0.819 0.000 0.979 380 F CB 1.781 40.483 39.000 -0.496 0.000 1.137 380 F HN -0.162 nan 8.300 nan 0.000 0.463 381 P HA 0.083 nan 4.420 nan 0.000 0.269 381 P C -0.891 175.735 177.300 -1.124 0.000 1.209 381 P CA 0.296 62.277 63.100 -1.865 0.000 0.776 381 P CB 0.402 31.373 31.700 -1.215 0.000 0.876 382 F N 0.344 119.912 119.950 -0.636 0.000 2.368 382 F HA 0.168 4.696 4.527 0.002 0.000 0.308 382 F C 1.524 177.134 175.800 -0.316 0.000 1.198 382 F CA 0.473 58.275 58.000 -0.331 0.000 1.130 382 F CB -0.233 38.675 39.000 -0.155 0.000 1.300 382 F HN 0.310 nan 8.300 nan 0.000 0.537 383 S N -0.671 115.047 115.700 0.030 0.000 3.445 383 S HA -0.176 4.295 4.470 0.002 0.000 0.319 383 S C -0.215 174.289 174.600 -0.160 0.000 1.209 383 S CA 0.324 58.493 58.200 -0.051 0.000 0.934 383 S CB -1.633 61.549 63.200 -0.031 0.000 0.999 383 S HN 0.388 nan 8.310 nan 0.000 0.582 384 K N 1.336 121.564 120.400 -0.287 0.000 2.144 384 K HA 0.348 4.669 4.320 0.002 0.000 0.270 384 K C -1.055 175.455 176.600 -0.150 0.000 1.005 384 K CA -2.114 53.932 56.287 -0.402 0.000 0.932 384 K CB 0.214 32.136 32.500 -0.964 0.000 1.021 384 K HN 0.077 nan 8.250 nan 0.000 0.462 385 P HA -0.003 nan 4.420 nan 0.000 0.221 385 P C 0.103 177.444 177.300 0.068 0.000 1.150 385 P CA 1.023 64.151 63.100 0.046 0.000 0.800 385 P CB 0.539 32.294 31.700 0.091 0.000 0.787 386 I N -0.375 120.281 120.570 0.144 0.000 2.465 386 I HA 0.172 4.343 4.170 0.002 0.000 0.291 386 I C 0.011 176.188 176.117 0.100 0.000 1.014 386 I CA -0.844 60.539 61.300 0.137 0.000 1.093 386 I CB 2.130 40.240 38.000 0.183 0.000 1.267 386 I HN -0.347 nan 8.210 nan 0.000 0.431 387 T N 7.537 122.112 114.554 0.034 0.000 2.871 387 T HA 0.024 4.376 4.350 0.002 0.000 0.296 387 T C -1.634 173.079 174.700 0.021 0.000 0.998 387 T CA -0.447 61.644 62.100 -0.015 0.000 1.162 387 T CB 0.686 69.544 68.868 -0.017 0.000 0.947 387 T HN 0.433 nan 8.240 nan 0.000 0.536 388 P HA 0.063 nan 4.420 nan 0.000 0.214 388 P C 0.995 178.289 177.300 -0.011 0.000 1.162 388 P CA 1.394 64.502 63.100 0.013 0.000 0.879 388 P CB -0.102 31.525 31.700 -0.121 0.000 0.786 389 G N -1.329 107.443 108.800 -0.047 0.000 2.548 389 G HA2 -0.131 3.830 3.960 0.002 0.000 0.208 389 G HA3 -0.131 3.830 3.960 0.002 0.000 0.208 389 G C -1.026 173.845 174.900 -0.049 0.000 1.308 389 G CA -0.725 44.352 45.100 -0.038 0.000 0.924 389 G HN 0.068 nan 8.290 nan 0.000 0.540 390 I N 1.194 121.734 120.570 -0.050 0.000 2.396 390 I HA 0.338 4.509 4.170 0.002 0.000 0.292 390 I C 0.875 176.946 176.117 -0.076 0.000 0.999 390 I CA -1.113 60.149 61.300 -0.064 0.000 1.310 390 I CB 1.329 39.286 38.000 -0.072 0.000 1.404 390 I HN 0.570 nan 8.210 nan 0.000 0.496 391 E N 9.068 129.222 120.200 -0.076 0.000 2.383 391 E HA 0.014 4.366 4.350 0.002 0.000 0.257 391 E C -1.567 174.955 176.600 -0.130 0.000 1.079 391 E CA -1.346 55.001 56.400 -0.088 0.000 0.934 391 E CB 1.008 30.677 29.700 -0.052 0.000 0.978 391 E HN 0.300 nan 8.360 nan 0.000 0.462 392 P HA -0.202 nan 4.420 nan 0.000 0.217 392 P C 1.382 178.534 177.300 -0.247 0.000 1.148 392 P CA 0.945 63.924 63.100 -0.202 0.000 0.828 392 P CB 0.288 31.866 31.700 -0.202 0.000 0.783 393 I N 0.355 120.720 120.570 -0.342 0.000 2.206 393 I HA -0.091 4.081 4.170 0.002 0.000 0.239 393 I C 2.206 178.147 176.117 -0.294 0.000 1.078 393 I CA 1.408 62.445 61.300 -0.438 0.000 1.367 393 I CB -1.290 36.172 38.000 -0.896 0.000 1.078 393 I HN 0.038 nan 8.210 nan 0.000 0.413 394 I N -0.930 119.503 120.570 -0.228 0.000 4.050 394 I HA 0.373 4.545 4.170 0.002 0.000 0.327 394 I C 0.754 176.787 176.117 -0.141 0.000 1.473 394 I CA -0.309 60.860 61.300 -0.219 0.000 1.124 394 I CB -0.850 36.987 38.000 -0.272 0.000 1.129 394 I HN -0.012 nan 8.210 nan 0.000 0.428 395 G N 2.022 110.748 108.800 -0.123 0.000 2.365 395 G HA2 0.232 4.193 3.960 0.002 0.000 0.249 395 G HA3 0.232 4.193 3.960 0.002 0.000 0.249 395 G C -0.247 174.590 174.900 -0.104 0.000 1.288 395 G CA -0.135 44.903 45.100 -0.103 0.000 0.887 395 G HN 0.567 nan 8.290 nan 0.000 0.524 396 Q N 1.210 120.959 119.800 -0.085 0.000 2.943 396 Q HA 0.260 4.602 4.340 0.002 0.000 0.327 396 Q C -0.765 175.195 176.000 -0.066 0.000 0.937 396 Q CA -0.139 55.622 55.803 -0.070 0.000 0.914 396 Q CB 1.298 30.013 28.738 -0.039 0.000 1.339 396 Q HN 0.477 nan 8.270 nan 0.000 0.417 397 T N 0.911 115.422 114.554 -0.071 0.000 2.991 397 T HA 0.318 4.669 4.350 0.002 0.000 0.303 397 T C -0.245 174.417 174.700 -0.062 0.000 1.015 397 T CA -0.580 61.482 62.100 -0.064 0.000 1.007 397 T CB 1.585 70.414 68.868 -0.064 0.000 1.034 397 T HN 0.362 nan 8.240 nan 0.000 0.446 398 T N 1.788 116.309 114.554 -0.055 0.000 2.875 398 T HA 0.714 5.065 4.350 0.002 0.000 0.284 398 T C -2.180 172.493 174.700 -0.044 0.000 0.995 398 T CA -1.522 60.547 62.100 -0.053 0.000 1.060 398 T CB 0.719 69.557 68.868 -0.049 0.000 0.967 398 T HN 0.382 nan 8.240 nan 0.000 0.476 399 P HA 0.299 nan 4.420 nan 0.000 0.279 399 P C -0.494 176.774 177.300 -0.053 0.000 1.239 399 P CA -0.736 62.337 63.100 -0.045 0.000 0.789 399 P CB 0.851 32.530 31.700 -0.035 0.000 0.933 400 R N 1.412 121.870 120.500 -0.071 0.000 4.154 400 R HA 0.200 4.542 4.340 0.002 0.000 0.186 400 R C -0.107 176.158 176.300 -0.060 0.000 1.750 400 R CA 0.106 56.155 56.100 -0.085 0.000 1.431 400 R CB -0.566 29.653 30.300 -0.134 0.000 1.383 400 R HN 0.435 nan 8.270 nan 0.000 0.788 401 T N 0.966 115.500 114.554 -0.034 0.000 2.771 401 T HA 0.296 4.647 4.350 0.002 0.000 0.281 401 T C -0.528 174.176 174.700 0.006 0.000 0.982 401 T CA -0.439 61.663 62.100 0.002 0.000 0.978 401 T CB 2.007 70.878 68.868 0.004 0.000 0.930 401 T HN 0.089 nan 8.240 nan 0.000 0.447 402 V N 2.552 122.490 119.914 0.041 0.000 2.864 402 V HA 0.970 5.091 4.120 0.002 0.000 0.314 402 V C 0.003 176.151 176.094 0.089 0.000 1.073 402 V CA -0.276 62.038 62.300 0.023 0.000 0.956 402 V CB 2.031 33.834 31.823 -0.034 0.000 1.023 402 V HN 0.982 nan 8.190 nan 0.000 0.435 403 G N 1.812 110.646 108.800 0.058 0.000 2.600 403 G HA2 0.591 4.552 3.960 0.002 0.000 0.303 403 G HA3 0.591 4.552 3.960 0.002 0.000 0.303 403 G C 0.603 175.517 174.900 0.024 0.000 1.253 403 G CA -0.294 44.860 45.100 0.091 0.000 0.974 403 G HN 2.011 nan 8.290 nan 0.000 0.483 404 G N -1.057 107.763 108.800 0.033 0.000 2.153 404 G HA2 -0.262 3.699 3.960 0.002 0.000 0.252 404 G HA3 -0.262 3.699 3.960 0.002 0.000 0.252 404 G C 1.215 176.036 174.900 -0.131 0.000 0.994 404 G CA 0.680 45.739 45.100 -0.068 0.000 0.698 404 G HN 0.625 nan 8.290 nan 0.000 0.521 405 L N -0.208 120.926 121.223 -0.147 0.000 2.056 405 L HA 0.050 4.392 4.340 0.002 0.000 0.207 405 L C 1.437 178.156 176.870 -0.251 0.000 1.078 405 L CA 1.352 55.978 54.840 -0.356 0.000 0.749 405 L CB -0.193 41.379 42.059 -0.812 0.000 0.901 405 L HN 0.297 nan 8.230 nan 0.000 0.433 406 D N 0.934 121.313 120.400 -0.035 0.000 2.352 406 D HA 0.053 4.694 4.640 0.002 0.000 0.245 406 D C -1.519 174.813 176.300 0.052 0.000 1.224 406 D CA -1.984 52.058 54.000 0.070 0.000 0.879 406 D CB 1.478 42.394 40.800 0.194 0.000 1.057 406 D HN 0.005 nan 8.370 nan 0.000 0.491 407 P HA -0.141 nan 4.420 nan 0.000 0.218 407 P C 1.339 178.670 177.300 0.052 0.000 1.148 407 P CA 0.780 63.913 63.100 0.056 0.000 0.822 407 P CB 0.358 32.143 31.700 0.142 0.000 0.784 408 L N -1.732 119.537 121.223 0.077 0.000 2.629 408 L HA 0.185 4.527 4.340 0.002 0.000 0.230 408 L C 0.584 177.481 176.870 0.044 0.000 1.151 408 L CA 0.363 55.235 54.840 0.053 0.000 0.924 408 L CB -0.761 41.331 42.059 0.054 0.000 1.137 408 L HN -0.078 nan 8.230 nan 0.000 0.457 409 N N -0.862 117.867 118.700 0.048 0.000 2.581 409 N HA 0.026 4.768 4.740 0.002 0.000 0.274 409 N C 0.922 176.458 175.510 0.045 0.000 1.629 409 N CA -0.077 52.999 53.050 0.044 0.000 0.884 409 N CB 0.492 39.013 38.487 0.056 0.000 1.423 409 N HN 0.059 nan 8.380 nan 0.000 0.507 410 Q N -0.568 119.243 119.800 0.018 0.000 2.242 410 Q HA -0.227 4.114 4.340 0.002 0.000 0.211 410 Q C 0.919 176.931 176.000 0.020 0.000 0.992 410 Q CA 1.057 56.856 55.803 -0.006 0.000 0.889 410 Q CB -0.131 28.577 28.738 -0.049 0.000 0.913 410 Q HN 0.456 nan 8.270 nan 0.000 0.422 411 N N 1.192 119.906 118.700 0.023 0.000 2.244 411 N HA -0.099 4.642 4.740 0.002 0.000 0.183 411 N C 0.512 176.038 175.510 0.026 0.000 1.016 411 N CA 0.360 53.425 53.050 0.024 0.000 0.866 411 N CB 0.021 38.516 38.487 0.014 0.000 0.980 411 N HN 0.423 nan 8.380 nan 0.000 0.430 412 E N 1.132 121.351 120.200 0.031 0.000 2.442 412 E HA -0.015 4.336 4.350 0.002 0.000 0.262 412 E C -0.241 176.395 176.600 0.059 0.000 1.004 412 E CA 0.176 56.576 56.400 -0.000 0.000 0.928 412 E CB 0.590 30.280 29.700 -0.016 0.000 0.937 412 E HN 0.164 nan 8.360 nan 0.000 0.446 413 T N 0.914 115.441 114.554 -0.045 0.000 2.940 413 T HA 0.632 4.983 4.350 0.002 0.000 0.288 413 T C -0.586 174.062 174.700 -0.088 0.000 1.045 413 T CA -0.807 61.338 62.100 0.074 0.000 1.018 413 T CB 0.724 69.611 68.868 0.032 0.000 1.151 413 T HN 0.363 nan 8.240 nan 0.000 0.529 414 F N -0.309 119.641 119.950 -0.001 0.000 2.569 414 F HA 0.492 5.021 4.527 0.002 0.000 0.312 414 F C 0.139 175.950 175.800 0.017 0.000 1.109 414 F CA -1.017 57.004 58.000 0.035 0.000 0.919 414 F CB 2.845 41.890 39.000 0.075 0.000 1.211 414 F HN 0.524 nan 8.300 nan 0.000 0.446 415 T N 3.312 117.973 114.554 0.179 0.000 2.853 415 T HA 0.431 4.783 4.350 0.002 0.000 0.317 415 T C -0.303 174.422 174.700 0.042 0.000 1.059 415 T CA -0.442 61.698 62.100 0.067 0.000 0.954 415 T CB 0.585 69.465 68.868 0.021 0.000 0.994 415 T HN 0.212 nan 8.240 nan 0.000 0.479 416 V N 6.773 126.642 119.914 -0.076 0.000 2.607 416 V HA 0.325 4.447 4.120 0.002 0.000 0.289 416 V C -2.027 173.778 176.094 -0.482 0.000 1.053 416 V CA -2.080 60.011 62.300 -0.349 0.000 0.996 416 V CB 1.035 32.644 31.823 -0.357 0.000 0.995 416 V HN 0.614 nan 8.190 nan 0.000 0.476 417 P HA 0.233 nan 4.420 nan 0.000 0.278 417 P C -0.719 175.925 177.300 -1.094 0.000 1.238 417 P CA -0.561 62.100 63.100 -0.733 0.000 0.794 417 P CB 0.584 31.893 31.700 -0.652 0.000 0.955 418 L N 3.360 124.189 121.223 -0.656 0.000 2.361 418 L HA 0.225 4.566 4.340 0.002 0.000 0.278 418 L C -0.140 176.453 176.870 -0.463 0.000 1.113 418 L CA 0.611 55.152 54.840 -0.499 0.000 0.849 418 L CB -0.699 41.218 42.059 -0.237 0.000 1.155 418 L HN 0.296 nan 8.230 nan 0.000 0.452 419 F N 4.287 124.227 119.950 -0.017 0.000 2.731 419 F HA 0.260 4.788 4.527 0.002 0.000 0.298 419 F C 0.570 176.459 175.800 0.149 0.000 1.106 419 F CA -0.264 57.796 58.000 0.101 0.000 1.329 419 F CB -0.003 39.086 39.000 0.148 0.000 1.100 419 F HN 0.132 nan 8.300 nan 0.000 0.592 420 V N 2.636 122.647 119.914 0.161 0.000 2.347 420 V HA 0.330 4.451 4.120 0.002 0.000 0.280 420 V C -0.495 175.603 176.094 0.007 0.000 1.021 420 V CA -0.642 61.671 62.300 0.021 0.000 0.847 420 V CB 1.427 33.117 31.823 -0.221 0.000 0.990 420 V HN -0.133 nan 8.190 nan 0.000 0.444 421 I N 8.151 128.762 120.570 0.067 0.000 2.355 421 I HA 0.466 4.637 4.170 0.002 0.000 0.288 421 I C -2.444 173.720 176.117 0.078 0.000 0.999 421 I CA -2.348 58.991 61.300 0.065 0.000 1.163 421 I CB 1.909 39.932 38.000 0.038 0.000 1.316 421 I HN 0.407 nan 8.210 nan 0.000 0.454 422 P HA 0.203 nan 4.420 nan 0.000 0.276 422 P C -0.067 176.991 177.300 -0.404 0.000 1.230 422 P CA -0.261 62.770 63.100 -0.115 0.000 0.776 422 P CB 0.739 32.452 31.700 0.021 0.000 0.888 423 K N 1.546 121.487 120.400 -0.764 0.000 2.402 423 K HA 0.443 4.764 4.320 0.002 0.000 0.204 423 K C 0.709 176.678 176.600 -1.052 0.000 1.056 423 K CA 0.018 55.838 56.287 -0.777 0.000 1.069 423 K CB 0.872 32.810 32.500 -0.936 0.000 0.888 423 K HN 0.754 nan 8.250 nan 0.000 0.546 424 G N -0.401 107.344 108.800 -1.759 0.000 2.353 424 G HA2 0.369 4.330 3.960 0.002 0.000 0.308 424 G HA3 0.369 4.330 3.960 0.002 0.000 0.308 424 G C -0.861 172.845 174.900 -1.990 0.000 1.418 424 G CA -0.381 43.371 45.100 -2.247 0.000 0.966 424 G HN 0.290 nan 8.290 nan 0.000 0.638 425 G N -1.089 106.743 108.800 -1.614 0.000 2.430 425 G HA2 0.852 4.813 3.960 0.002 0.000 0.300 425 G HA3 0.852 4.813 3.960 0.002 0.000 0.300 425 G C -1.567 173.204 174.900 -0.216 0.000 1.330 425 G CA 0.780 45.388 45.100 -0.820 0.000 0.813 425 G HN 1.474 nan 8.290 nan 0.000 0.487 426 E N -2.007 118.115 120.200 -0.130 0.000 2.392 426 E HA 0.572 4.924 4.350 0.002 0.000 0.281 426 E C -2.219 174.180 176.600 -0.334 0.000 1.088 426 E CA -0.723 55.512 56.400 -0.275 0.000 0.850 426 E CB 0.943 30.456 29.700 -0.312 0.000 1.267 426 E HN 0.449 nan 8.360 nan 0.000 0.438 427 Y N 1.587 121.794 120.300 -0.156 0.000 2.331 427 Y HA 0.655 5.207 4.550 0.002 0.000 0.338 427 Y C -0.405 175.584 175.900 0.148 0.000 0.992 427 Y CA -0.554 57.624 58.100 0.130 0.000 1.121 427 Y CB 0.864 39.491 38.460 0.279 0.000 1.184 427 Y HN 0.326 nan 8.280 nan 0.000 0.469 428 F N 2.584 123.003 119.950 0.781 0.000 2.611 428 F HA 0.546 5.074 4.527 0.002 0.000 0.324 428 F C -0.986 175.200 175.800 0.643 0.000 1.061 428 F CA -1.312 57.127 58.000 0.732 0.000 0.954 428 F CB 1.706 40.948 39.000 0.404 0.000 1.301 428 F HN 0.257 nan 8.300 nan 0.000 0.482 429 F N 2.608 122.839 119.950 0.468 0.000 2.493 429 F HA 0.689 5.218 4.527 0.003 0.000 0.329 429 F C -1.662 174.202 175.800 0.107 0.000 1.126 429 F CA -1.213 56.739 58.000 -0.079 0.000 0.937 429 F CB 1.075 39.770 39.000 -0.509 0.000 1.146 429 F HN 0.158 nan 8.300 nan 0.000 0.442 430 L N 8.795 129.624 121.223 -0.656 0.000 2.272 430 L HA 0.491 4.832 4.340 0.002 0.000 0.284 430 L C -2.206 174.152 176.870 -0.854 0.000 1.045 430 L CA -1.998 52.550 54.840 -0.486 0.000 0.842 430 L CB 0.640 42.522 42.059 -0.295 0.000 1.224 430 L HN 0.457 nan 8.230 nan 0.000 0.430 431 P HA 0.174 nan 4.420 nan 0.000 0.274 431 P C -0.317 176.893 177.300 -0.150 0.000 1.260 431 P CA -0.497 62.448 63.100 -0.258 0.000 0.793 431 P CB 0.459 32.328 31.700 0.282 0.000 1.048 432 S N -0.405 115.280 115.700 -0.026 0.000 2.600 432 S HA 0.154 4.625 4.470 0.002 0.000 0.265 432 S C 1.412 176.019 174.600 0.012 0.000 1.325 432 S CA -0.342 57.840 58.200 -0.031 0.000 1.002 432 S CB -0.365 62.843 63.200 0.014 0.000 0.921 432 S HN 0.290 nan 8.310 nan 0.000 0.554 433 I N 1.592 122.155 120.570 -0.011 0.000 2.286 433 I HA -0.209 3.963 4.170 0.002 0.000 0.248 433 I C 2.850 178.989 176.117 0.037 0.000 1.115 433 I CA 1.599 62.906 61.300 0.012 0.000 1.392 433 I CB -0.769 37.224 38.000 -0.011 0.000 1.065 433 I HN 0.913 nan 8.210 nan 0.000 0.418 434 S N 1.439 117.159 115.700 0.034 0.000 2.368 434 S HA -0.100 4.372 4.470 0.002 0.000 0.224 434 S C 2.300 176.938 174.600 0.064 0.000 1.029 434 S CA 0.751 58.975 58.200 0.041 0.000 0.988 434 S CB -0.560 62.663 63.200 0.037 0.000 0.838 434 S HN 0.386 nan 8.310 nan 0.000 0.462 435 A N 2.161 125.043 122.820 0.103 0.000 1.948 435 A HA 0.029 4.351 4.320 0.002 0.000 0.220 435 A C 2.306 179.944 177.584 0.091 0.000 1.177 435 A CA 1.561 53.690 52.037 0.153 0.000 0.636 435 A CB -0.999 18.191 19.000 0.317 0.000 0.815 435 A HN 0.562 nan 8.150 nan 0.000 0.449 436 L N -0.422 120.865 121.223 0.107 0.000 2.012 436 L HA -0.219 4.123 4.340 0.002 0.000 0.210 436 L C 2.979 179.893 176.870 0.072 0.000 1.073 436 L CA 2.086 57.000 54.840 0.123 0.000 0.748 436 L CB -0.629 41.524 42.059 0.157 0.000 0.891 436 L HN 0.700 nan 8.230 nan 0.000 0.431 437 T N -4.231 110.352 114.554 0.049 0.000 3.010 437 T HA 0.149 4.500 4.350 0.002 0.000 0.252 437 T C 1.829 176.526 174.700 -0.006 0.000 1.047 437 T CA 0.492 62.607 62.100 0.025 0.000 1.140 437 T CB -0.062 68.821 68.868 0.024 0.000 0.885 437 T HN 0.237 nan 8.240 nan 0.000 0.464 438 A N 1.289 124.105 122.820 -0.007 0.000 1.968 438 A HA 0.146 4.467 4.320 0.002 0.000 0.217 438 A C 2.357 179.894 177.584 -0.078 0.000 1.169 438 A CA 1.655 53.678 52.037 -0.024 0.000 0.638 438 A CB -0.814 18.188 19.000 0.004 0.000 0.812 438 A HN 0.506 nan 8.150 nan 0.000 0.446 439 T N -0.858 113.614 114.554 -0.138 0.000 3.156 439 T HA 0.211 4.562 4.350 0.002 0.000 0.236 439 T C 1.839 176.337 174.700 -0.338 0.000 0.978 439 T CA 0.683 62.588 62.100 -0.324 0.000 1.240 439 T CB -0.281 68.216 68.868 -0.617 0.000 0.951 439 T HN 0.253 nan 8.240 nan 0.000 0.420 440 I N 1.860 122.245 120.570 -0.309 0.000 2.113 440 I HA -0.167 4.004 4.170 0.002 0.000 0.238 440 I C 2.923 178.978 176.117 -0.103 0.000 1.070 440 I CA 1.469 62.621 61.300 -0.246 0.000 1.332 440 I CB -0.482 37.394 38.000 -0.208 0.000 1.044 440 I HN 0.220 nan 8.210 nan 0.000 0.402 441 A N 0.784 123.584 122.820 -0.034 0.000 2.015 441 A HA 0.091 4.412 4.320 0.002 0.000 0.219 441 A C 1.701 179.276 177.584 -0.015 0.000 1.163 441 A CA 0.957 52.998 52.037 0.007 0.000 0.646 441 A CB -0.753 18.258 19.000 0.018 0.000 0.806 441 A HN 0.408 nan 8.150 nan 0.000 0.448 442 A N 0.000 122.791 122.820 -0.048 0.000 2.254 442 A HA 0.000 4.321 4.320 0.002 0.000 0.244 442 A CA 0.000 52.008 52.037 -0.048 0.000 0.836 442 A CB 0.000 18.956 19.000 -0.074 0.000 0.831 442 A HN 0.000 nan 8.150 nan 0.000 0.486