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 2nz1_1_X DATA FIRST_RESID 12 DATA SEQUENCE HSSGVSTQSV DLSQIKRGDE IQAHcLTPAE TEVTEcAGIL KDVLSKNLHE DATA SEQUENCE LQGLcNVKNK MGVPWVSVEE LGQEIITGRL PFPSVGGTPV NDLVRVLVVA DATA SEQUENCE ESNTPEETPE EEFYAYVELQ TELYTFGLSD DNVVFTSDYM TVWMIDIPKS DATA SEQUENCE YVDVGMLTRA TFLEQWPGAK VTVMIPYSST FTWcGELGAI SEESAPQPSL DATA SEQUENCE SARSPVcKNS ARYSTSKFCE VDGcTAETGM EKMSLLTPFG GPPQQAKMNT DATA SEQUENCE cPcYYKYSVS PLPAMDHLIL ADLAGLDSLT SPVYVMAAYF DSTHENPVRP DATA SEQUENCE SSKLYHcALQ MTSHDGVWTS TSSEQcPIRL VEGQSQNVLQ VRVAPTSMPN DATA SEQUENCE LVGVSLMLEG QQYRLEYFGD H 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 12 H HA 0.000 nan 4.556 nan 0.000 0.296 12 H C 0.000 175.304 175.328 -0.040 0.000 0.993 12 H CA 0.000 56.029 56.048 -0.031 0.000 1.023 12 H CB 0.000 29.744 29.762 -0.030 0.000 1.292 13 S N 0.592 116.359 115.700 0.112 0.000 2.528 13 S HA 0.069 4.542 4.470 0.005 0.000 0.219 13 S C 0.440 175.042 174.600 0.004 0.000 0.985 13 S CA 0.816 59.033 58.200 0.028 0.000 0.914 13 S CB 0.094 63.300 63.200 0.010 0.000 0.776 13 S HN 0.585 nan 8.310 nan 0.000 0.526 14 S N -1.100 114.610 115.700 0.017 0.000 2.627 14 S HA 0.918 5.391 4.470 0.005 0.000 0.283 14 S C -0.140 174.438 174.600 -0.038 0.000 1.127 14 S CA -0.178 58.006 58.200 -0.026 0.000 0.863 14 S CB 1.613 64.792 63.200 -0.035 0.000 1.121 14 S HN 0.693 nan 8.310 nan 0.000 0.479 15 G N -0.607 108.159 108.800 -0.057 0.000 2.359 15 G HA2 0.428 4.391 3.960 0.005 0.000 0.293 15 G HA3 0.428 4.391 3.960 0.005 0.000 0.293 15 G C -2.110 172.748 174.900 -0.071 0.000 1.300 15 G CA -0.138 44.925 45.100 -0.062 0.000 0.888 15 G HN 1.493 nan 8.290 nan 0.000 0.541 16 V N 0.877 120.755 119.914 -0.061 0.000 2.623 16 V HA 0.832 4.955 4.120 0.005 0.000 0.304 16 V C 0.035 176.107 176.094 -0.036 0.000 1.054 16 V CA -0.051 62.215 62.300 -0.057 0.000 0.882 16 V CB 1.512 33.311 31.823 -0.039 0.000 1.002 16 V HN 1.696 nan 8.190 nan 0.000 0.424 17 S N 2.164 117.838 115.700 -0.044 0.000 2.564 17 S HA 0.937 5.410 4.470 0.005 0.000 0.274 17 S C -0.514 174.090 174.600 0.008 0.000 1.124 17 S CA -0.405 57.787 58.200 -0.012 0.000 0.869 17 S CB 2.406 65.588 63.200 -0.030 0.000 1.105 17 S HN 1.064 nan 8.310 nan 0.000 0.472 18 T N -1.401 113.196 114.554 0.071 0.000 2.907 18 T HA 0.864 5.217 4.350 0.005 0.000 0.290 18 T C -1.073 173.715 174.700 0.146 0.000 1.066 18 T CA -0.649 61.541 62.100 0.152 0.000 1.012 18 T CB 1.721 70.782 68.868 0.322 0.000 1.184 18 T HN 1.251 nan 8.240 nan 0.000 0.522 19 Q N -0.096 119.834 119.800 0.216 0.000 2.721 19 Q HA 0.528 4.871 4.340 0.005 0.000 0.282 19 Q C -1.634 174.504 176.000 0.230 0.000 0.932 19 Q CA -1.008 54.889 55.803 0.157 0.000 0.816 19 Q CB 0.940 29.716 28.738 0.064 0.000 1.506 19 Q HN 0.608 nan 8.270 nan 0.000 0.399 20 S N 0.405 116.201 115.700 0.160 0.000 2.601 20 S HA 0.542 5.015 4.470 0.005 0.000 0.271 20 S C -0.504 174.170 174.600 0.123 0.000 1.305 20 S CA -0.535 57.770 58.200 0.175 0.000 1.022 20 S CB 1.267 64.531 63.200 0.107 0.000 0.940 20 S HN 0.389 nan 8.310 nan 0.000 0.525 21 V N 2.603 122.594 119.914 0.128 0.000 2.380 21 V HA 0.305 4.428 4.120 0.005 0.000 0.286 21 V C -0.761 175.374 176.094 0.069 0.000 1.015 21 V CA -0.669 61.674 62.300 0.071 0.000 0.834 21 V CB 1.536 33.384 31.823 0.042 0.000 1.009 21 V HN 0.809 nan 8.190 nan 0.000 0.428 22 D N 4.393 124.822 120.400 0.048 0.000 2.460 22 D HA 0.354 4.997 4.640 0.005 0.000 0.232 22 D C 1.027 177.344 176.300 0.027 0.000 1.079 22 D CA -0.320 53.705 54.000 0.042 0.000 0.864 22 D CB 1.542 42.364 40.800 0.036 0.000 1.048 22 D HN 0.393 nan 8.370 nan 0.000 0.523 23 L N 1.947 123.187 121.223 0.027 0.000 2.187 23 L HA -0.164 4.179 4.340 0.005 0.000 0.213 23 L C 2.151 179.029 176.870 0.014 0.000 1.100 23 L CA 0.606 55.456 54.840 0.018 0.000 0.765 23 L CB -0.298 41.772 42.059 0.019 0.000 0.904 23 L HN 0.278 nan 8.230 nan 0.000 0.437 24 S N 0.112 115.822 115.700 0.016 0.000 2.383 24 S HA -0.222 4.251 4.470 0.005 0.000 0.229 24 S C 1.472 176.077 174.600 0.009 0.000 1.030 24 S CA 1.323 59.530 58.200 0.012 0.000 1.002 24 S CB -0.264 62.944 63.200 0.013 0.000 0.829 24 S HN 0.617 nan 8.310 nan 0.000 0.467 25 Q N 0.442 120.248 119.800 0.009 0.000 2.211 25 Q HA 0.321 4.664 4.340 0.005 0.000 0.231 25 Q C -0.769 175.232 176.000 0.001 0.000 0.865 25 Q CA 0.016 55.822 55.803 0.005 0.000 0.997 25 Q CB 0.101 28.843 28.738 0.007 0.000 1.101 25 Q HN 0.353 nan 8.270 nan 0.000 0.468 26 I N 2.163 122.734 120.570 0.000 0.000 2.410 26 I HA 0.217 4.390 4.170 0.005 0.000 0.286 26 I C -0.080 176.032 176.117 -0.008 0.000 1.009 26 I CA -1.091 60.206 61.300 -0.006 0.000 1.111 26 I CB 1.569 39.565 38.000 -0.007 0.000 1.262 26 I HN 0.003 nan 8.210 nan 0.000 0.443 27 K N 7.260 127.652 120.400 -0.014 0.000 2.365 27 K HA -0.091 4.232 4.320 0.005 0.000 0.268 27 K C 0.693 177.285 176.600 -0.013 0.000 1.173 27 K CA 0.374 56.653 56.287 -0.014 0.000 1.204 27 K CB -0.204 32.283 32.500 -0.022 0.000 0.832 27 K HN 0.480 nan 8.250 nan 0.000 0.481 28 R N 0.380 120.878 120.500 -0.003 0.000 3.758 28 R HA -0.226 4.117 4.340 0.005 0.000 0.299 28 R C 1.328 177.631 176.300 0.006 0.000 1.182 28 R CA 0.527 56.630 56.100 0.005 0.000 0.809 28 R CB -2.277 28.026 30.300 0.005 0.000 1.249 28 R HN 0.869 nan 8.270 nan 0.000 0.497 29 G N 1.631 110.432 108.800 0.001 0.000 2.450 29 G HA2 -0.342 3.621 3.960 0.005 0.000 0.220 29 G HA3 -0.342 3.621 3.960 0.005 0.000 0.220 29 G C 0.998 175.902 174.900 0.007 0.000 1.130 29 G CA 1.438 46.538 45.100 -0.001 0.000 0.760 29 G HN 0.655 nan 8.290 nan 0.000 0.557 30 D N 0.899 121.306 120.400 0.011 0.000 2.097 30 D HA -0.108 4.535 4.640 0.005 0.000 0.195 30 D C 2.065 178.374 176.300 0.014 0.000 0.989 30 D CA 1.449 55.456 54.000 0.011 0.000 0.827 30 D CB -0.519 40.289 40.800 0.014 0.000 0.966 30 D HN 0.482 nan 8.370 nan 0.000 0.456 31 E N 0.124 120.349 120.200 0.042 0.000 2.107 31 E HA -0.044 4.309 4.350 0.005 0.000 0.191 31 E C 2.331 178.990 176.600 0.098 0.000 0.982 31 E CA 0.504 56.966 56.400 0.102 0.000 0.809 31 E CB -0.141 29.640 29.700 0.134 0.000 0.756 31 E HN 0.364 nan 8.360 nan 0.000 0.459 32 I N 1.363 121.964 120.570 0.052 0.000 2.208 32 I HA -0.296 3.877 4.170 0.005 0.000 0.245 32 I C 2.812 178.943 176.117 0.023 0.000 1.097 32 I CA 1.066 62.387 61.300 0.036 0.000 1.363 32 I CB -0.236 37.765 38.000 0.002 0.000 1.051 32 I HN 0.147 nan 8.210 nan 0.000 0.413 33 Q N 1.246 121.049 119.800 0.004 0.000 2.079 33 Q HA -0.178 4.165 4.340 0.005 0.000 0.200 33 Q C 2.254 178.231 176.000 -0.039 0.000 0.974 33 Q CA 2.054 57.850 55.803 -0.011 0.000 0.840 33 Q CB -0.043 28.691 28.738 -0.007 0.000 0.898 33 Q HN 0.535 nan 8.270 nan 0.000 0.430 34 A N -0.232 122.537 122.820 -0.085 0.000 1.970 34 A HA -0.115 4.208 4.320 0.005 0.000 0.216 34 A C 1.582 178.964 177.584 -0.336 0.000 1.170 34 A CA 1.132 53.032 52.037 -0.229 0.000 0.645 34 A CB -0.350 18.449 19.000 -0.334 0.000 0.816 34 A HN 0.433 nan 8.150 nan 0.000 0.447 35 H N -2.814 116.262 119.070 0.010 0.000 2.885 35 H HA 0.149 4.707 4.556 0.004 0.000 0.260 35 H C 1.363 176.699 175.328 0.014 0.000 0.985 35 H CA 0.842 56.898 56.048 0.012 0.000 1.210 35 H CB 0.389 30.158 29.762 0.012 0.000 1.466 35 H HN 0.532 nan 8.280 nan 0.000 0.493 36 c N 0.022 118.685 118.600 0.105 0.000 3.097 36 c HA 0.281 4.854 4.570 0.005 0.000 0.335 36 c C 1.951 176.064 174.090 0.038 0.000 1.283 36 c CA -0.033 56.338 56.329 0.069 0.000 1.778 36 c CB 0.236 42.777 42.510 0.052 0.000 2.365 36 c HN 0.270 nan 8.230 nan 0.000 0.627 37 L N 0.282 121.516 121.223 0.019 0.000 2.959 37 L HA 0.237 4.580 4.340 0.005 0.000 0.259 37 L C -0.155 176.709 176.870 -0.009 0.000 1.185 37 L CA 0.604 55.445 54.840 0.002 0.000 0.998 37 L CB 0.223 42.279 42.059 -0.004 0.000 1.337 37 L HN 0.155 nan 8.230 nan 0.000 0.555 38 T N 1.545 116.094 114.554 -0.009 0.000 2.928 38 T HA 0.312 4.665 4.350 0.005 0.000 0.296 38 T C -2.717 171.979 174.700 -0.006 0.000 1.000 38 T CA -1.159 60.929 62.100 -0.019 0.000 0.989 38 T CB 2.353 71.196 68.868 -0.043 0.000 1.005 38 T HN -0.187 nan 8.240 nan 0.000 0.442 39 P HA 0.323 nan 4.420 nan 0.000 0.264 39 P C -0.499 176.812 177.300 0.018 0.000 1.236 39 P CA 0.118 63.224 63.100 0.010 0.000 0.811 39 P CB 0.671 32.372 31.700 0.002 0.000 0.840 40 A N 4.410 127.255 122.820 0.042 0.000 2.751 40 A HA 0.355 4.678 4.320 0.005 0.000 0.201 40 A C -0.124 177.506 177.584 0.077 0.000 1.619 40 A CA -0.159 51.914 52.037 0.060 0.000 1.607 40 A CB -0.265 18.788 19.000 0.089 0.000 1.580 40 A HN 0.355 nan 8.150 nan 0.000 0.499 41 E N 1.542 121.809 120.200 0.113 0.000 2.452 41 E HA 0.244 4.597 4.350 0.005 0.000 0.261 41 E C 0.274 176.913 176.600 0.064 0.000 0.987 41 E CA 0.827 57.275 56.400 0.081 0.000 0.926 41 E CB 0.335 30.079 29.700 0.074 0.000 0.934 41 E HN 0.531 nan 8.360 nan 0.000 0.452 42 T N 0.284 114.867 114.554 0.050 0.000 3.332 42 T HA 0.140 4.493 4.350 0.005 0.000 0.246 42 T C -0.177 174.551 174.700 0.046 0.000 0.943 42 T CA -0.531 61.597 62.100 0.047 0.000 0.922 42 T CB -0.784 68.108 68.868 0.039 0.000 1.086 42 T HN 0.531 nan 8.240 nan 0.000 0.590 43 E N -0.630 119.598 120.200 0.047 0.000 2.413 43 E HA 0.441 4.794 4.350 0.005 0.000 0.277 43 E C 0.424 177.050 176.600 0.044 0.000 0.958 43 E CA -1.195 55.230 56.400 0.042 0.000 0.779 43 E CB 1.747 31.464 29.700 0.029 0.000 1.278 43 E HN 0.013 nan 8.360 nan 0.000 0.456 44 V N -1.104 118.837 119.914 0.045 0.000 3.461 44 V HA -0.068 4.055 4.120 0.005 0.000 0.267 44 V C 1.478 177.587 176.094 0.025 0.000 1.186 44 V CA 1.539 63.867 62.300 0.046 0.000 1.154 44 V CB -0.820 31.036 31.823 0.055 0.000 0.802 44 V HN 0.753 nan 8.190 nan 0.000 0.474 45 T N 1.400 115.961 114.554 0.011 0.000 2.635 45 T HA -0.220 4.133 4.350 0.005 0.000 0.267 45 T C 1.748 176.430 174.700 -0.029 0.000 1.040 45 T CA 2.492 64.587 62.100 -0.007 0.000 1.156 45 T CB -0.283 68.577 68.868 -0.013 0.000 0.863 45 T HN 0.581 nan 8.240 nan 0.000 0.430 46 E N 0.261 120.425 120.200 -0.059 0.000 2.031 46 E HA -0.075 4.278 4.350 0.005 0.000 0.193 46 E C 2.420 178.973 176.600 -0.079 0.000 0.994 46 E CA 0.882 57.200 56.400 -0.136 0.000 0.800 46 E CB -0.962 28.560 29.700 -0.296 0.000 0.752 46 E HN 0.533 nan 8.360 nan 0.000 0.447 47 c N 0.443 119.037 118.600 -0.011 0.000 2.440 47 c HA 0.048 4.621 4.570 0.005 0.000 0.278 47 c C 2.707 176.816 174.090 0.032 0.000 1.295 47 c CA 1.030 57.379 56.329 0.034 0.000 1.738 47 c CB -1.086 41.463 42.510 0.065 0.000 1.987 47 c HN 0.458 nan 8.230 nan 0.000 0.492 48 A N 0.571 123.410 122.820 0.031 0.000 1.877 48 A HA 0.101 4.424 4.320 0.005 0.000 0.216 48 A C 2.502 180.114 177.584 0.047 0.000 1.186 48 A CA 2.046 54.113 52.037 0.050 0.000 0.620 48 A CB -1.532 17.485 19.000 0.030 0.000 0.822 48 A HN 0.677 nan 8.150 nan 0.000 0.443 49 G N -0.066 108.741 108.800 0.013 0.000 2.442 49 G HA2 -0.191 3.772 3.960 0.005 0.000 0.219 49 G HA3 -0.191 3.772 3.960 0.005 0.000 0.219 49 G C 1.513 176.418 174.900 0.009 0.000 1.141 49 G CA 1.179 46.282 45.100 0.004 0.000 0.763 49 G HN 0.486 nan 8.290 nan 0.000 0.554 50 I N 0.235 120.806 120.570 0.002 0.000 2.133 50 I HA -0.089 4.084 4.170 0.005 0.000 0.238 50 I C 2.733 178.847 176.117 -0.005 0.000 1.074 50 I CA 0.666 61.966 61.300 0.001 0.000 1.342 50 I CB -0.296 37.709 38.000 0.010 0.000 1.053 50 I HN 0.098 nan 8.210 nan 0.000 0.404 51 L N 0.561 121.780 121.223 -0.007 0.000 2.043 51 L HA -0.261 4.082 4.340 0.005 0.000 0.212 51 L C 2.608 179.480 176.870 0.002 0.000 1.075 51 L CA 1.366 56.162 54.840 -0.073 0.000 0.752 51 L CB -0.733 41.279 42.059 -0.077 0.000 0.891 51 L HN 0.216 nan 8.230 nan 0.000 0.432 52 K N 0.588 121.089 120.400 0.169 0.000 2.089 52 K HA -0.266 4.057 4.320 0.005 0.000 0.210 52 K C 1.650 178.324 176.600 0.123 0.000 1.048 52 K CA 2.132 58.560 56.287 0.235 0.000 0.926 52 K CB -0.283 32.290 32.500 0.122 0.000 0.714 52 K HN 0.347 nan 8.250 nan 0.000 0.448 53 D N -0.883 119.545 120.400 0.046 0.000 2.087 53 D HA -0.096 4.547 4.640 0.005 0.000 0.201 53 D C 1.792 178.083 176.300 -0.014 0.000 0.980 53 D CA 1.766 55.775 54.000 0.015 0.000 0.849 53 D CB -0.261 40.541 40.800 0.004 0.000 1.001 53 D HN 0.006 nan 8.370 nan 0.000 0.452 54 V N 0.374 120.260 119.914 -0.046 0.000 2.295 54 V HA -0.190 3.933 4.120 0.005 0.000 0.246 54 V C 2.523 178.538 176.094 -0.132 0.000 1.049 54 V CA 1.209 63.463 62.300 -0.077 0.000 1.024 54 V CB -0.537 31.237 31.823 -0.081 0.000 0.648 54 V HN 0.248 nan 8.190 nan 0.000 0.447 55 L N -0.068 121.010 121.223 -0.241 0.000 2.275 55 L HA -0.037 4.306 4.340 0.005 0.000 0.215 55 L C 2.449 179.197 176.870 -0.204 0.000 1.119 55 L CA 1.509 56.103 54.840 -0.410 0.000 0.790 55 L CB -0.955 40.458 42.059 -1.078 0.000 0.919 55 L HN 0.232 nan 8.230 nan 0.000 0.443 56 S N -1.040 114.645 115.700 -0.024 0.000 2.453 56 S HA -0.074 4.399 4.470 0.005 0.000 0.231 56 S C 1.865 176.467 174.600 0.003 0.000 1.005 56 S CA 0.776 59.018 58.200 0.070 0.000 0.949 56 S CB 0.044 63.303 63.200 0.099 0.000 0.774 56 S HN 0.448 nan 8.310 nan 0.000 0.510 57 K N 0.913 121.295 120.400 -0.031 0.000 2.128 57 K HA 0.117 4.440 4.320 0.005 0.000 0.202 57 K C 0.475 177.047 176.600 -0.047 0.000 1.050 57 K CA 0.607 56.875 56.287 -0.031 0.000 0.966 57 K CB 0.054 32.536 32.500 -0.030 0.000 0.759 57 K HN 0.109 nan 8.250 nan 0.000 0.454 58 N N 0.846 119.498 118.700 -0.080 0.000 2.609 58 N HA 0.048 4.791 4.740 0.005 0.000 0.268 58 N C 0.068 175.476 175.510 -0.170 0.000 1.106 58 N CA -0.204 52.792 53.050 -0.089 0.000 0.823 58 N CB 1.015 39.467 38.487 -0.058 0.000 1.263 58 N HN -0.081 nan 8.380 nan 0.000 0.533 59 L N 2.814 123.894 121.223 -0.238 0.000 2.089 59 L HA -0.126 4.217 4.340 0.005 0.000 0.213 59 L C 0.942 177.509 176.870 -0.504 0.000 1.079 59 L CA 1.964 56.557 54.840 -0.412 0.000 0.758 59 L CB -0.371 41.373 42.059 -0.525 0.000 0.891 59 L HN 0.661 nan 8.230 nan 0.000 0.433 60 H N -1.516 117.501 119.070 -0.088 0.000 2.517 60 H HA 0.087 4.646 4.556 0.005 0.000 0.282 60 H C 1.677 176.950 175.328 -0.091 0.000 1.023 60 H CA 0.653 56.651 56.048 -0.084 0.000 1.169 60 H CB 0.181 29.906 29.762 -0.061 0.000 1.454 60 H HN 0.478 nan 8.280 nan 0.000 0.556 61 E N 1.999 122.167 120.200 -0.054 0.000 2.136 61 E HA -0.200 4.153 4.350 0.005 0.000 0.202 61 E C 1.782 178.349 176.600 -0.056 0.000 1.019 61 E CA 1.253 57.616 56.400 -0.061 0.000 0.819 61 E CB -0.458 29.178 29.700 -0.106 0.000 0.739 61 E HN 0.457 nan 8.360 nan 0.000 0.458 62 L N -0.006 121.172 121.223 -0.075 0.000 2.187 62 L HA -0.208 4.135 4.340 0.005 0.000 0.213 62 L C 2.635 179.477 176.870 -0.046 0.000 1.100 62 L CA 1.507 56.309 54.840 -0.063 0.000 0.765 62 L CB -0.523 41.494 42.059 -0.070 0.000 0.904 62 L HN 0.277 nan 8.230 nan 0.000 0.437 63 Q N -0.211 119.571 119.800 -0.029 0.000 2.364 63 Q HA -0.107 4.236 4.340 0.005 0.000 0.207 63 Q C 2.153 178.123 176.000 -0.049 0.000 0.970 63 Q CA 1.023 56.802 55.803 -0.041 0.000 0.888 63 Q CB -0.193 28.528 28.738 -0.028 0.000 0.951 63 Q HN 0.603 nan 8.270 nan 0.000 0.469 64 G N 0.007 108.784 108.800 -0.037 0.000 2.744 64 G HA2 -0.048 3.915 3.960 0.005 0.000 0.211 64 G HA3 -0.048 3.915 3.960 0.005 0.000 0.211 64 G C 1.111 175.987 174.900 -0.040 0.000 1.143 64 G CA 0.052 45.133 45.100 -0.032 0.000 0.788 64 G HN 0.200 nan 8.290 nan 0.000 0.534 65 L N 0.206 121.396 121.223 -0.055 0.000 2.585 65 L HA 0.229 4.572 4.340 0.005 0.000 0.226 65 L C 0.371 177.175 176.870 -0.111 0.000 1.113 65 L CA -0.447 54.355 54.840 -0.064 0.000 0.876 65 L CB 0.161 42.188 42.059 -0.053 0.000 1.072 65 L HN 0.039 nan 8.230 nan 0.000 0.468 66 c N 1.045 119.565 118.600 -0.133 0.000 2.394 66 c HA 0.121 4.694 4.570 0.005 0.000 0.362 66 c C 1.616 175.557 174.090 -0.249 0.000 1.268 66 c CA -0.643 55.559 56.329 -0.211 0.000 1.828 66 c CB -0.044 42.340 42.510 -0.210 0.000 2.442 66 c HN 0.427 nan 8.230 nan 0.000 0.549 67 N N 1.032 119.477 118.700 -0.426 0.000 2.300 67 N HA 0.040 4.783 4.740 0.005 0.000 0.179 67 N C -0.104 175.118 175.510 -0.480 0.000 1.016 67 N CA 0.829 53.576 53.050 -0.504 0.000 0.876 67 N CB 0.170 38.081 38.487 -0.961 0.000 0.979 67 N HN 0.531 nan 8.380 nan 0.000 0.432 68 V N 0.234 119.863 119.914 -0.474 0.000 2.686 68 V HA 0.309 4.432 4.120 0.005 0.000 0.306 68 V C -0.752 175.082 176.094 -0.434 0.000 1.065 68 V CA -1.051 61.074 62.300 -0.291 0.000 0.894 68 V CB 2.187 33.989 31.823 -0.036 0.000 1.004 68 V HN -0.000 nan 8.190 nan 0.000 0.424 69 K N 3.661 123.851 120.400 -0.350 0.000 2.323 69 K HA 0.546 4.869 4.320 0.005 0.000 0.259 69 K C -0.817 175.540 176.600 -0.405 0.000 0.947 69 K CA -0.484 55.543 56.287 -0.432 0.000 0.819 69 K CB 1.399 33.738 32.500 -0.269 0.000 1.109 69 K HN 0.643 nan 8.250 nan 0.000 0.429 70 N N 4.229 122.586 118.700 -0.573 0.000 2.531 70 N HA 0.192 4.935 4.740 0.005 0.000 0.268 70 N C -1.795 173.542 175.510 -0.288 0.000 1.023 70 N CA -0.547 52.289 53.050 -0.356 0.000 0.896 70 N CB 1.075 39.394 38.487 -0.280 0.000 1.233 70 N HN 0.782 nan 8.380 nan 0.000 0.512 71 K N 2.581 122.874 120.400 -0.179 0.000 2.203 71 K HA 0.662 4.985 4.320 0.005 0.000 0.251 71 K C -0.277 176.269 176.600 -0.089 0.000 0.944 71 K CA -0.797 55.408 56.287 -0.136 0.000 0.829 71 K CB 1.803 34.233 32.500 -0.116 0.000 1.125 71 K HN 0.420 nan 8.250 nan 0.000 0.430 72 M N -0.332 119.220 119.600 -0.080 0.000 2.446 72 M HA 0.505 4.988 4.480 0.005 0.000 0.294 72 M C -0.777 175.483 176.300 -0.066 0.000 1.158 72 M CA -0.803 54.461 55.300 -0.060 0.000 0.899 72 M CB 2.233 34.804 32.600 -0.048 0.000 1.687 72 M HN 0.691 nan 8.290 nan 0.000 0.455 73 G N 1.527 110.292 108.800 -0.057 0.000 2.325 73 G HA2 0.540 4.503 3.960 0.005 0.000 0.298 73 G HA3 0.540 4.503 3.960 0.005 0.000 0.298 73 G C -1.315 173.537 174.900 -0.080 0.000 1.134 73 G CA -0.631 44.425 45.100 -0.074 0.000 0.876 73 G HN 0.714 nan 8.290 nan 0.000 0.452 74 V N 4.610 124.449 119.914 -0.125 0.000 2.604 74 V HA 0.657 4.780 4.120 0.005 0.000 0.305 74 V C -2.373 173.619 176.094 -0.169 0.000 1.043 74 V CA -2.328 59.901 62.300 -0.117 0.000 0.888 74 V CB 2.807 34.565 31.823 -0.107 0.000 0.995 74 V HN 0.570 nan 8.190 nan 0.000 0.429 75 P HA 0.151 nan 4.420 nan 0.000 0.271 75 P C -1.052 176.238 177.300 -0.016 0.000 1.218 75 P CA 0.114 63.189 63.100 -0.041 0.000 0.780 75 P CB 0.364 32.081 31.700 0.028 0.000 0.901 76 W N 1.337 122.649 121.300 0.020 0.000 2.150 76 W HA 0.360 5.023 4.660 0.005 0.000 0.341 76 W C -0.349 176.189 176.519 0.032 0.000 1.276 76 W CA -0.052 57.308 57.345 0.026 0.000 1.238 76 W CB 0.607 30.075 29.460 0.013 0.000 1.128 76 W HN 0.006 nan 8.180 nan 0.000 0.581 77 V N 3.383 123.516 119.914 0.366 0.000 2.445 77 V HA 0.175 4.298 4.120 0.005 0.000 0.283 77 V C -0.121 176.089 176.094 0.193 0.000 1.014 77 V CA -0.903 61.524 62.300 0.212 0.000 0.852 77 V CB 0.851 32.769 31.823 0.157 0.000 1.021 77 V HN 0.547 nan 8.190 nan 0.000 0.435 78 S N 2.993 118.766 115.700 0.123 0.000 2.614 78 S HA 0.620 5.093 4.470 0.005 0.000 0.265 78 S C 0.021 174.655 174.600 0.056 0.000 1.303 78 S CA -0.433 57.805 58.200 0.064 0.000 1.000 78 S CB 1.670 64.871 63.200 0.002 0.000 0.935 78 S HN 0.522 nan 8.310 nan 0.000 0.551 79 V N 2.685 122.622 119.914 0.038 0.000 2.670 79 V HA 0.176 4.299 4.120 0.005 0.000 0.258 79 V C 0.632 176.733 176.094 0.012 0.000 0.906 79 V CA -0.530 61.790 62.300 0.033 0.000 0.887 79 V CB 0.964 32.817 31.823 0.050 0.000 1.059 79 V HN 0.783 nan 8.190 nan 0.000 0.484 80 E N 1.587 121.787 120.200 -0.001 0.000 2.147 80 E HA -0.242 4.111 4.350 0.005 0.000 0.199 80 E C 1.868 178.462 176.600 -0.010 0.000 1.005 80 E CA 1.716 58.108 56.400 -0.014 0.000 0.810 80 E CB 0.235 29.926 29.700 -0.015 0.000 0.736 80 E HN 0.793 nan 8.360 nan 0.000 0.460 81 E N 0.650 120.849 120.200 -0.003 0.000 2.055 81 E HA -0.200 4.153 4.350 0.005 0.000 0.209 81 E C 2.193 178.789 176.600 -0.006 0.000 1.036 81 E CA 1.213 57.611 56.400 -0.003 0.000 0.849 81 E CB -0.523 29.178 29.700 0.002 0.000 0.767 81 E HN 0.361 nan 8.360 nan 0.000 0.461 82 L N -0.368 120.855 121.223 -0.001 0.000 2.667 82 L HA 0.312 4.655 4.340 0.005 0.000 0.232 82 L C 0.958 177.824 176.870 -0.006 0.000 1.138 82 L CA 0.177 55.013 54.840 -0.006 0.000 0.921 82 L CB 0.146 42.203 42.059 -0.004 0.000 1.180 82 L HN 0.279 nan 8.230 nan 0.000 0.487 83 G N 0.951 109.747 108.800 -0.006 0.000 2.225 83 G HA2 -0.253 3.710 3.960 0.005 0.000 0.264 83 G HA3 -0.253 3.710 3.960 0.005 0.000 0.264 83 G C -0.055 174.849 174.900 0.007 0.000 1.060 83 G CA -0.080 45.011 45.100 -0.015 0.000 0.833 83 G HN 0.491 nan 8.290 nan 0.000 0.498 84 Q N -0.350 119.469 119.800 0.032 0.000 2.245 84 Q HA 0.611 4.954 4.340 0.005 0.000 0.256 84 Q C -0.593 175.459 176.000 0.087 0.000 0.942 84 Q CA -0.682 55.174 55.803 0.089 0.000 0.896 84 Q CB 1.670 30.477 28.738 0.114 0.000 1.272 84 Q HN 0.247 nan 8.270 nan 0.000 0.442 85 E N 2.410 122.703 120.200 0.155 0.000 2.185 85 E HA 0.393 4.746 4.350 0.005 0.000 0.261 85 E C -1.152 175.756 176.600 0.513 0.000 0.879 85 E CA -0.554 55.943 56.400 0.160 0.000 0.756 85 E CB 1.463 30.990 29.700 -0.288 0.000 1.152 85 E HN 0.416 nan 8.360 nan 0.000 0.416 86 I N 3.745 124.611 120.570 0.493 0.000 2.436 86 I HA 0.364 4.537 4.170 0.005 0.000 0.289 86 I C 0.150 176.485 176.117 0.364 0.000 1.010 86 I CA -0.697 60.871 61.300 0.447 0.000 1.098 86 I CB 1.296 39.455 38.000 0.266 0.000 1.266 86 I HN 0.359 nan 8.210 nan 0.000 0.434 87 I N 2.239 122.963 120.570 0.256 0.000 2.377 87 I HA 0.819 4.992 4.170 0.005 0.000 0.293 87 I C -0.231 175.918 176.117 0.055 0.000 0.987 87 I CA -0.229 61.079 61.300 0.014 0.000 1.185 87 I CB 1.877 39.728 38.000 -0.249 0.000 1.341 87 I HN 0.568 nan 8.210 nan 0.000 0.455 88 T N 3.457 118.026 114.554 0.026 0.000 2.912 88 T HA 0.854 5.207 4.350 0.005 0.000 0.299 88 T C -0.535 174.172 174.700 0.011 0.000 1.052 88 T CA -0.281 61.837 62.100 0.030 0.000 0.996 88 T CB 1.624 70.521 68.868 0.048 0.000 1.070 88 T HN 1.190 nan 8.240 nan 0.000 0.465 89 G N 2.524 111.333 108.800 0.014 0.000 2.623 89 G HA2 0.584 4.547 3.960 0.005 0.000 0.290 89 G HA3 0.584 4.547 3.960 0.005 0.000 0.290 89 G C -1.784 173.134 174.900 0.031 0.000 1.437 89 G CA -0.980 44.128 45.100 0.012 0.000 0.798 89 G HN 0.799 nan 8.290 nan 0.000 0.488 90 R N 0.901 121.422 120.500 0.035 0.000 2.239 90 R HA 0.387 4.730 4.340 0.005 0.000 0.332 90 R C -0.125 176.177 176.300 0.003 0.000 0.988 90 R CA -0.652 55.489 56.100 0.067 0.000 0.859 90 R CB 1.511 31.865 30.300 0.090 0.000 1.148 90 R HN 0.328 nan 8.270 nan 0.000 0.482 91 L N 4.805 125.968 121.223 -0.100 0.000 2.485 91 L HA 0.131 4.474 4.340 0.005 0.000 0.275 91 L C -1.469 175.167 176.870 -0.389 0.000 1.207 91 L CA -1.483 53.176 54.840 -0.302 0.000 0.855 91 L CB 0.309 42.039 42.059 -0.548 0.000 1.114 91 L HN 0.322 nan 8.230 nan 0.000 0.485 92 P HA 0.099 nan 4.420 nan 0.000 0.231 92 P C -0.607 176.580 177.300 -0.187 0.000 1.811 92 P CA -0.430 62.642 63.100 -0.046 0.000 1.051 92 P CB -0.357 31.382 31.700 0.065 0.000 1.951 93 F N 3.968 123.834 119.950 -0.140 0.000 2.580 93 F HA -0.016 4.515 4.527 0.006 0.000 0.398 93 F C -0.304 175.194 175.800 -0.503 0.000 1.023 93 F CA -1.163 56.558 58.000 -0.464 0.000 1.188 93 F CB -0.495 38.406 39.000 -0.165 0.000 1.005 93 F HN 0.264 nan 8.300 nan 0.000 0.546 94 P HA -0.135 nan 4.420 nan 0.000 0.220 94 P C 0.002 177.126 177.300 -0.293 0.000 1.144 94 P CA 1.459 64.231 63.100 -0.547 0.000 0.800 94 P CB 0.238 31.419 31.700 -0.865 0.000 0.772 95 S N -3.233 112.346 115.700 -0.202 0.000 2.627 95 S HA 0.217 4.690 4.470 0.005 0.000 0.268 95 S C -0.851 173.821 174.600 0.120 0.000 1.130 95 S CA -0.948 57.245 58.200 -0.011 0.000 0.819 95 S CB 0.838 64.038 63.200 -0.000 0.000 1.100 95 S HN -0.198 nan 8.310 nan 0.000 0.465 96 V N 2.706 122.708 119.914 0.147 0.000 2.583 96 V HA 0.165 4.288 4.120 0.005 0.000 0.302 96 V C 2.090 178.285 176.094 0.169 0.000 1.033 96 V CA 1.254 63.619 62.300 0.108 0.000 1.194 96 V CB -0.351 31.468 31.823 -0.007 0.000 0.879 96 V HN 1.216 nan 8.190 nan 0.000 0.482 97 G N 3.566 112.406 108.800 0.066 0.000 2.440 97 G HA2 0.299 4.262 3.960 0.005 0.000 0.218 97 G HA3 0.299 4.262 3.960 0.005 0.000 0.218 97 G C 0.663 175.589 174.900 0.044 0.000 1.154 97 G CA 0.898 46.015 45.100 0.028 0.000 0.767 97 G HN 1.377 nan 8.290 nan 0.000 0.552 98 G N -2.820 105.972 108.800 -0.014 0.000 2.323 98 G HA2 0.425 4.388 3.960 0.005 0.000 0.291 98 G HA3 0.425 4.388 3.960 0.005 0.000 0.291 98 G C -1.298 173.543 174.900 -0.098 0.000 1.278 98 G CA 0.207 45.275 45.100 -0.054 0.000 0.860 98 G HN 0.298 nan 8.290 nan 0.000 0.504 99 T N 0.131 114.628 114.554 -0.096 0.000 2.940 99 T HA 0.652 5.005 4.350 0.005 0.000 0.288 99 T C -1.706 172.935 174.700 -0.099 0.000 1.045 99 T CA -1.250 60.807 62.100 -0.072 0.000 1.018 99 T CB 2.109 70.982 68.868 0.009 0.000 1.151 99 T HN 0.164 nan 8.240 nan 0.000 0.529 100 P HA -0.027 nan 4.420 nan 0.000 0.220 100 P C 1.294 178.543 177.300 -0.085 0.000 1.148 100 P CA 0.561 63.595 63.100 -0.110 0.000 0.803 100 P CB 0.102 31.745 31.700 -0.094 0.000 0.782 101 V N -1.265 118.608 119.914 -0.070 0.000 2.809 101 V HA -0.138 3.985 4.120 0.005 0.000 0.256 101 V C 1.053 177.099 176.094 -0.080 0.000 1.080 101 V CA 0.984 63.246 62.300 -0.063 0.000 1.102 101 V CB -1.419 30.373 31.823 -0.052 0.000 0.705 101 V HN 0.181 nan 8.190 nan 0.000 0.475 102 N N 0.148 118.787 118.700 -0.102 0.000 2.288 102 N HA 0.062 4.805 4.740 0.005 0.000 0.237 102 N C 0.282 175.738 175.510 -0.089 0.000 1.311 102 N CA 0.157 53.134 53.050 -0.121 0.000 0.909 102 N CB 0.326 38.731 38.487 -0.136 0.000 1.167 102 N HN 0.203 nan 8.380 nan 0.000 0.476 103 D N -0.626 119.725 120.400 -0.082 0.000 2.350 103 D HA 0.339 4.982 4.640 0.005 0.000 0.272 103 D C -0.308 175.960 176.300 -0.054 0.000 1.204 103 D CA 0.012 53.980 54.000 -0.054 0.000 1.124 103 D CB 0.234 41.010 40.800 -0.040 0.000 1.189 103 D HN 0.037 nan 8.370 nan 0.000 0.556 104 L N 0.367 121.565 121.223 -0.041 0.000 2.322 104 L HA 0.469 4.812 4.340 0.005 0.000 0.269 104 L C -0.145 176.686 176.870 -0.064 0.000 1.012 104 L CA -0.973 53.841 54.840 -0.044 0.000 0.815 104 L CB 1.271 43.320 42.059 -0.016 0.000 1.295 104 L HN 0.014 nan 8.230 nan 0.000 0.438 105 V N 2.724 122.584 119.914 -0.090 0.000 2.495 105 V HA 0.569 4.692 4.120 0.005 0.000 0.298 105 V C -0.270 175.771 176.094 -0.087 0.000 1.031 105 V CA -0.777 61.456 62.300 -0.112 0.000 0.871 105 V CB 1.697 33.407 31.823 -0.188 0.000 0.988 105 V HN 0.835 nan 8.190 nan 0.000 0.432 106 R N 5.723 126.188 120.500 -0.058 0.000 2.204 106 R HA 0.629 4.972 4.340 0.005 0.000 0.341 106 R C -0.735 175.548 176.300 -0.029 0.000 1.035 106 R CA -0.329 55.753 56.100 -0.030 0.000 0.887 106 R CB 1.173 31.472 30.300 -0.002 0.000 1.114 106 R HN 0.797 nan 8.270 nan 0.000 0.473 107 V N 2.609 122.507 119.914 -0.028 0.000 2.713 107 V HA 0.555 4.678 4.120 0.005 0.000 0.307 107 V C -0.760 175.354 176.094 0.034 0.000 1.052 107 V CA -1.138 61.158 62.300 -0.006 0.000 0.967 107 V CB 1.571 33.386 31.823 -0.013 0.000 1.019 107 V HN 0.523 nan 8.190 nan 0.000 0.459 108 L N 3.879 125.131 121.223 0.049 0.000 2.322 108 L HA 0.723 5.066 4.340 0.005 0.000 0.279 108 L C -0.173 176.764 176.870 0.112 0.000 1.036 108 L CA -0.133 54.757 54.840 0.083 0.000 0.807 108 L CB 1.788 43.880 42.059 0.056 0.000 1.226 108 L HN 0.698 nan 8.230 nan 0.000 0.433 109 V N 4.546 124.577 119.914 0.194 0.000 2.540 109 V HA 0.619 4.742 4.120 0.005 0.000 0.302 109 V C -0.585 175.734 176.094 0.375 0.000 1.035 109 V CA -0.731 61.713 62.300 0.239 0.000 0.873 109 V CB 2.102 34.038 31.823 0.188 0.000 0.992 109 V HN 0.441 nan 8.190 nan 0.000 0.428 110 V N 3.462 123.543 119.914 0.279 0.000 2.540 110 V HA 0.875 4.998 4.120 0.005 0.000 0.302 110 V C 0.056 176.349 176.094 0.332 0.000 1.035 110 V CA -0.524 61.936 62.300 0.267 0.000 0.873 110 V CB 1.914 33.820 31.823 0.139 0.000 0.992 110 V HN 0.999 nan 8.190 nan 0.000 0.428 111 A N 4.603 127.668 122.820 0.408 0.000 2.343 111 A HA 0.926 5.249 4.320 0.005 0.000 0.308 111 A C -0.459 177.426 177.584 0.502 0.000 1.092 111 A CA -0.453 51.878 52.037 0.489 0.000 0.751 111 A CB 1.140 20.473 19.000 0.555 0.000 1.203 111 A HN 1.007 nan 8.150 nan 0.000 0.452 112 E N 0.688 121.177 120.200 0.481 0.000 2.449 112 E HA 0.798 5.151 4.350 0.005 0.000 0.278 112 E C -0.744 175.970 176.600 0.189 0.000 1.059 112 E CA -0.494 56.046 56.400 0.234 0.000 0.854 112 E CB 1.610 31.363 29.700 0.089 0.000 1.465 112 E HN 1.025 nan 8.360 nan 0.000 0.462 113 S N -0.051 115.607 115.700 -0.071 0.000 2.643 113 S HA 0.447 4.920 4.470 0.005 0.000 0.270 113 S C -1.062 173.474 174.600 -0.106 0.000 1.166 113 S CA -1.169 57.034 58.200 0.004 0.000 0.815 113 S CB 0.680 63.961 63.200 0.136 0.000 1.139 113 S HN 0.520 nan 8.310 nan 0.000 0.472 114 N N 1.955 120.612 118.700 -0.071 0.000 2.525 114 N HA 0.267 5.010 4.740 0.005 0.000 0.271 114 N C -0.143 175.134 175.510 -0.389 0.000 1.194 114 N CA 0.203 53.165 53.050 -0.148 0.000 0.964 114 N CB 0.953 39.397 38.487 -0.072 0.000 1.126 114 N HN 0.864 nan 8.380 nan 0.000 0.452 115 T N -0.720 113.525 114.554 -0.515 0.000 2.727 115 T HA 0.255 4.608 4.350 0.005 0.000 0.295 115 T C -2.152 172.246 174.700 -0.503 0.000 0.915 115 T CA -1.393 60.108 62.100 -0.998 0.000 1.066 115 T CB 0.424 68.931 68.868 -0.602 0.000 0.891 115 T HN 0.294 nan 8.240 nan 0.000 0.516 116 P HA 0.143 nan 4.420 nan 0.000 0.271 116 P C 1.054 178.322 177.300 -0.053 0.000 1.216 116 P CA -0.422 62.621 63.100 -0.096 0.000 0.771 116 P CB 1.151 32.896 31.700 0.075 0.000 0.864 117 E N 2.629 122.815 120.200 -0.023 0.000 2.021 117 E HA -0.175 4.178 4.350 0.005 0.000 0.200 117 E C -0.128 176.490 176.600 0.030 0.000 1.015 117 E CA 1.005 57.404 56.400 -0.002 0.000 0.824 117 E CB -0.502 29.198 29.700 0.001 0.000 0.762 117 E HN 0.456 nan 8.360 nan 0.000 0.454 118 E N 2.457 122.682 120.200 0.041 0.000 2.166 118 E HA 0.104 4.457 4.350 0.005 0.000 0.279 118 E C -0.627 176.031 176.600 0.095 0.000 1.095 118 E CA 0.083 56.517 56.400 0.057 0.000 0.888 118 E CB 0.704 30.431 29.700 0.045 0.000 1.041 118 E HN 0.115 nan 8.360 nan 0.000 0.414 119 T N 6.710 121.329 114.554 0.108 0.000 2.656 119 T HA 0.010 4.363 4.350 0.005 0.000 0.263 119 T C -1.522 173.283 174.700 0.175 0.000 1.017 119 T CA -0.654 61.542 62.100 0.160 0.000 1.216 119 T CB -0.227 68.718 68.868 0.128 0.000 0.989 119 T HN 0.343 nan 8.240 nan 0.000 0.507 120 P HA 0.144 nan 4.420 nan 0.000 0.272 120 P C 1.114 178.530 177.300 0.194 0.000 1.254 120 P CA -0.441 62.807 63.100 0.247 0.000 0.795 120 P CB 0.920 32.884 31.700 0.441 0.000 1.022 121 E N 0.157 120.441 120.200 0.139 0.000 2.005 121 E HA -0.143 4.210 4.350 0.005 0.000 0.198 121 E C 1.066 177.747 176.600 0.135 0.000 1.010 121 E CA 1.467 57.928 56.400 0.102 0.000 0.825 121 E CB -0.331 29.402 29.700 0.056 0.000 0.769 121 E HN 0.652 nan 8.360 nan 0.000 0.456 122 E N 1.560 121.868 120.200 0.182 0.000 2.302 122 E HA 0.248 4.601 4.350 0.005 0.000 0.255 122 E C -0.272 176.505 176.600 0.295 0.000 1.099 122 E CA -0.418 56.103 56.400 0.200 0.000 0.929 122 E CB 0.765 30.571 29.700 0.176 0.000 1.203 122 E HN -0.053 nan 8.360 nan 0.000 0.459 123 E N -0.257 120.072 120.200 0.214 0.000 2.371 123 E HA 0.186 4.539 4.350 0.005 0.000 0.257 123 E C -0.640 176.110 176.600 0.250 0.000 1.134 123 E CA -0.590 55.906 56.400 0.160 0.000 0.919 123 E CB 0.478 30.224 29.700 0.076 0.000 1.025 123 E HN 0.330 nan 8.360 nan 0.000 0.438 124 F N 2.636 122.490 119.950 -0.160 0.000 2.495 124 F HA 0.192 4.722 4.527 0.005 0.000 0.365 124 F C -0.909 174.915 175.800 0.040 0.000 1.090 124 F CA -0.112 57.712 58.000 -0.292 0.000 1.235 124 F CB 0.157 38.749 39.000 -0.680 0.000 1.119 124 F HN 0.298 nan 8.300 nan 0.000 0.562 125 Y N 4.762 124.714 120.300 -0.580 0.000 2.492 125 Y HA 0.715 5.268 4.550 0.005 0.000 0.346 125 Y C -1.702 173.833 175.900 -0.608 0.000 0.997 125 Y CA -0.983 56.856 58.100 -0.434 0.000 1.025 125 Y CB 1.605 40.017 38.460 -0.081 0.000 1.263 125 Y HN 0.869 nan 8.280 nan 0.000 0.454 126 A N 4.537 126.433 122.820 -1.540 0.000 2.540 126 A HA 0.579 4.902 4.320 0.005 0.000 0.297 126 A C -2.768 174.223 177.584 -0.988 0.000 1.056 126 A CA -0.520 50.722 52.037 -1.325 0.000 0.700 126 A CB 0.919 19.281 19.000 -1.064 0.000 1.280 126 A HN 0.762 nan 8.150 nan 0.000 0.398 127 Y N 2.311 122.092 120.300 -0.864 0.000 2.338 127 Y HA 0.620 5.173 4.550 0.005 0.000 0.333 127 Y C -1.218 174.386 175.900 -0.493 0.000 0.968 127 Y CA -0.841 56.933 58.100 -0.543 0.000 1.123 127 Y CB 1.706 40.041 38.460 -0.208 0.000 1.165 127 Y HN 0.596 nan 8.280 nan 0.000 0.452 128 V N 6.468 125.634 119.914 -1.246 0.000 2.715 128 V HA 0.576 4.699 4.120 0.005 0.000 0.310 128 V C -0.854 174.639 176.094 -1.001 0.000 1.054 128 V CA -0.806 60.931 62.300 -0.938 0.000 0.928 128 V CB 1.873 33.242 31.823 -0.757 0.000 1.007 128 V HN 0.766 nan 8.190 nan 0.000 0.437 129 E N 4.020 123.871 120.200 -0.581 0.000 2.390 129 E HA 0.618 4.971 4.350 0.005 0.000 0.277 129 E C -1.967 174.521 176.600 -0.187 0.000 0.939 129 E CA -0.957 55.204 56.400 -0.398 0.000 0.769 129 E CB 2.628 32.128 29.700 -0.334 0.000 1.251 129 E HN 0.484 nan 8.360 nan 0.000 0.450 130 L N 2.423 123.589 121.223 -0.094 0.000 2.353 130 L HA 0.312 4.655 4.340 0.005 0.000 0.270 130 L C -0.254 176.641 176.870 0.042 0.000 1.003 130 L CA -0.718 54.122 54.840 0.000 0.000 0.862 130 L CB 1.376 43.444 42.059 0.016 0.000 1.221 130 L HN 0.565 nan 8.230 nan 0.000 0.430 131 Q N 1.972 121.772 119.800 -0.001 0.000 2.241 131 Q HA 0.653 4.996 4.340 0.005 0.000 0.254 131 Q C -0.345 175.664 176.000 0.015 0.000 0.917 131 Q CA -0.642 55.140 55.803 -0.035 0.000 0.919 131 Q CB 2.148 30.848 28.738 -0.063 0.000 1.237 131 Q HN 0.587 nan 8.270 nan 0.000 0.434 132 T N -1.267 113.286 114.554 -0.001 0.000 2.804 132 T HA 0.250 4.603 4.350 0.005 0.000 0.272 132 T C 0.806 175.526 174.700 0.034 0.000 0.986 132 T CA -0.383 61.748 62.100 0.052 0.000 0.999 132 T CB 1.149 70.074 68.868 0.096 0.000 1.307 132 T HN 0.789 nan 8.240 nan 0.000 0.586 133 E N -0.441 119.808 120.200 0.082 0.000 2.051 133 E HA -0.074 4.279 4.350 0.005 0.000 0.192 133 E C 1.821 178.450 176.600 0.048 0.000 0.991 133 E CA 1.186 57.626 56.400 0.066 0.000 0.799 133 E CB -0.183 29.571 29.700 0.090 0.000 0.748 133 E HN 0.574 nan 8.360 nan 0.000 0.449 134 L N -1.126 120.144 121.223 0.078 0.000 2.116 134 L HA 0.057 4.400 4.340 0.005 0.000 0.200 134 L C 0.876 177.756 176.870 0.016 0.000 1.084 134 L CA 0.216 55.096 54.840 0.066 0.000 0.766 134 L CB -0.101 42.037 42.059 0.131 0.000 0.930 134 L HN 0.147 nan 8.230 nan 0.000 0.453 135 Y N 0.187 120.362 120.300 -0.208 0.000 2.387 135 Y HA 0.312 4.866 4.550 0.008 0.000 0.336 135 Y C -0.452 175.182 175.900 -0.443 0.000 1.067 135 Y CA -0.969 56.901 58.100 -0.383 0.000 1.114 135 Y CB 1.578 39.678 38.460 -0.600 0.000 1.208 135 Y HN -0.197 nan 8.280 nan 0.000 0.458 136 T N 7.700 121.450 114.554 -1.340 0.000 2.801 136 T HA 0.318 4.671 4.350 0.005 0.000 0.306 136 T C -0.991 172.985 174.700 -1.207 0.000 1.020 136 T CA -0.304 61.251 62.100 -0.907 0.000 0.948 136 T CB -0.671 67.890 68.868 -0.513 0.000 0.962 136 T HN 0.351 nan 8.240 nan 0.000 0.465 137 F N 2.596 122.231 119.950 -0.525 0.000 2.494 137 F HA 0.433 4.962 4.527 0.003 0.000 0.369 137 F C 1.367 177.047 175.800 -0.200 0.000 1.098 137 F CA -0.530 57.364 58.000 -0.178 0.000 1.154 137 F CB 0.308 39.295 39.000 -0.021 0.000 1.103 137 F HN 0.539 nan 8.300 nan 0.000 0.549 138 G N 4.124 112.911 108.800 -0.022 0.000 2.367 138 G HA2 0.498 4.461 3.960 0.005 0.000 0.314 138 G HA3 0.498 4.461 3.960 0.005 0.000 0.314 138 G C -0.646 174.203 174.900 -0.084 0.000 1.130 138 G CA -0.700 44.359 45.100 -0.069 0.000 0.864 138 G HN 0.432 nan 8.290 nan 0.000 0.486 139 L N 3.404 124.416 121.223 -0.351 0.000 2.449 139 L HA 0.200 4.543 4.340 0.005 0.000 0.255 139 L C 1.375 178.124 176.870 -0.202 0.000 1.167 139 L CA -0.249 54.326 54.840 -0.442 0.000 1.090 139 L CB -0.671 40.733 42.059 -1.091 0.000 1.385 139 L HN 0.688 nan 8.230 nan 0.000 0.411 140 S N 0.004 115.768 115.700 0.106 0.000 2.606 140 S HA 0.066 4.539 4.470 0.005 0.000 0.257 140 S C 0.901 175.692 174.600 0.318 0.000 1.327 140 S CA -0.362 57.976 58.200 0.231 0.000 0.984 140 S CB 1.089 64.392 63.200 0.172 0.000 0.941 140 S HN 0.483 nan 8.310 nan 0.000 0.576 141 D N 0.237 120.798 120.400 0.269 0.000 2.263 141 D HA -0.026 4.617 4.640 0.005 0.000 0.208 141 D C 0.914 177.327 176.300 0.188 0.000 0.971 141 D CA 1.128 55.273 54.000 0.242 0.000 0.867 141 D CB -0.190 40.704 40.800 0.156 0.000 0.929 141 D HN 0.551 nan 8.370 nan 0.000 0.492 142 D N -0.373 120.128 120.400 0.168 0.000 2.349 142 D HA 0.005 4.648 4.640 0.005 0.000 0.224 142 D C 0.741 177.135 176.300 0.156 0.000 1.029 142 D CA 0.384 54.462 54.000 0.131 0.000 0.879 142 D CB 0.028 40.889 40.800 0.102 0.000 0.906 142 D HN 0.223 nan 8.370 nan 0.000 0.528 143 N N -0.558 118.287 118.700 0.241 0.000 2.254 143 N HA 0.018 4.761 4.740 0.005 0.000 0.190 143 N C -0.012 175.680 175.510 0.303 0.000 1.107 143 N CA -0.011 53.203 53.050 0.274 0.000 0.869 143 N CB 0.974 39.645 38.487 0.307 0.000 0.983 143 N HN -0.128 nan 8.380 nan 0.000 0.487 144 V N 1.782 121.838 119.914 0.236 0.000 2.540 144 V HA 0.002 4.125 4.120 0.005 0.000 0.297 144 V C 1.327 177.411 176.094 -0.018 0.000 1.024 144 V CA 0.204 62.487 62.300 -0.029 0.000 1.105 144 V CB 0.980 32.737 31.823 -0.109 0.000 0.938 144 V HN 0.172 nan 8.190 nan 0.000 0.482 145 V N 1.861 121.751 119.914 -0.040 0.000 3.432 145 V HA 0.561 4.684 4.120 0.005 0.000 0.298 145 V C -0.166 175.985 176.094 0.096 0.000 1.464 145 V CA -0.035 62.284 62.300 0.032 0.000 1.046 145 V CB -0.021 31.841 31.823 0.064 0.000 0.887 145 V HN 0.604 nan 8.190 nan 0.000 0.441 146 F N 1.245 121.086 119.950 -0.181 0.000 2.680 146 F HA 0.614 5.143 4.527 0.004 0.000 0.315 146 F C -0.890 174.768 175.800 -0.236 0.000 1.099 146 F CA 0.377 58.274 58.000 -0.172 0.000 1.033 146 F CB 1.453 40.370 39.000 -0.138 0.000 1.285 146 F HN 0.156 nan 8.300 nan 0.000 0.457 147 T N 1.340 115.267 114.554 -1.044 0.000 2.909 147 T HA 0.883 5.236 4.350 0.005 0.000 0.299 147 T C -0.861 173.313 174.700 -0.877 0.000 1.073 147 T CA -0.225 61.454 62.100 -0.702 0.000 0.999 147 T CB 1.724 70.340 68.868 -0.421 0.000 1.098 147 T HN 1.031 nan 8.240 nan 0.000 0.477 148 S N 0.478 115.931 115.700 -0.411 0.000 2.794 148 S HA 0.498 4.971 4.470 0.005 0.000 0.299 148 S C 0.050 174.525 174.600 -0.208 0.000 1.179 148 S CA -0.870 57.180 58.200 -0.250 0.000 0.838 148 S CB 1.189 64.386 63.200 -0.004 0.000 1.206 148 S HN 0.587 nan 8.310 nan 0.000 0.523 149 D N -0.138 120.148 120.400 -0.190 0.000 2.182 149 D HA -0.061 4.582 4.640 0.005 0.000 0.201 149 D C 0.093 175.917 176.300 -0.794 0.000 0.986 149 D CA 1.834 55.613 54.000 -0.368 0.000 0.847 149 D CB -0.146 40.529 40.800 -0.209 0.000 0.942 149 D HN 0.625 nan 8.370 nan 0.000 0.467 150 Y N -0.928 119.164 120.300 -0.347 0.000 2.738 150 Y HA 0.376 4.929 4.550 0.005 0.000 0.249 150 Y C 0.227 175.633 175.900 -0.823 0.000 1.153 150 Y CA -0.418 57.172 58.100 -0.850 0.000 1.165 150 Y CB 0.797 38.850 38.460 -0.678 0.000 1.235 150 Y HN -0.210 nan 8.280 nan 0.000 0.559 151 M N 0.571 120.024 119.600 -0.245 0.000 2.322 151 M HA 0.514 4.997 4.480 0.005 0.000 0.285 151 M C -1.688 174.634 176.300 0.037 0.000 1.119 151 M CA -0.062 55.228 55.300 -0.015 0.000 0.953 151 M CB 1.786 34.404 32.600 0.030 0.000 1.701 151 M HN -0.030 nan 8.290 nan 0.000 0.479 152 T N 3.306 117.858 114.554 -0.002 0.000 2.861 152 T HA 0.700 5.053 4.350 0.005 0.000 0.287 152 T C -1.211 173.181 174.700 -0.513 0.000 1.003 152 T CA -0.534 61.328 62.100 -0.397 0.000 0.977 152 T CB 1.992 70.393 68.868 -0.779 0.000 0.996 152 T HN 0.458 nan 8.240 nan 0.000 0.448 153 V N 3.292 122.914 119.914 -0.486 0.000 2.487 153 V HA 0.527 4.650 4.120 0.005 0.000 0.298 153 V C -0.705 175.212 176.094 -0.294 0.000 1.028 153 V CA -0.962 61.200 62.300 -0.229 0.000 0.860 153 V CB 1.488 33.316 31.823 0.008 0.000 0.991 153 V HN 0.780 nan 8.190 nan 0.000 0.427 154 W N 4.066 125.395 121.300 0.048 0.000 2.703 154 W HA 0.759 5.421 4.660 0.004 0.000 0.359 154 W C -0.150 176.388 176.519 0.033 0.000 1.168 154 W CA -0.821 56.545 57.345 0.035 0.000 1.177 154 W CB 2.048 31.513 29.460 0.009 0.000 1.434 154 W HN 0.432 nan 8.180 nan 0.000 0.618 155 M N 2.115 121.891 119.600 0.293 0.000 2.421 155 M HA 0.676 5.159 4.480 0.005 0.000 0.287 155 M C -2.067 174.319 176.300 0.144 0.000 1.183 155 M CA -0.540 54.861 55.300 0.170 0.000 0.916 155 M CB 3.006 35.680 32.600 0.125 0.000 1.701 155 M HN 0.504 nan 8.290 nan 0.000 0.470 156 I N 2.551 123.177 120.570 0.094 0.000 2.746 156 I HA 0.268 4.441 4.170 0.005 0.000 0.290 156 I C -1.895 174.239 176.117 0.029 0.000 1.600 156 I CA -0.512 60.835 61.300 0.078 0.000 1.019 156 I CB 2.173 40.227 38.000 0.091 0.000 1.426 156 I HN 0.659 nan 8.210 nan 0.000 0.460 157 D N 7.981 128.405 120.400 0.040 0.000 2.249 157 D HA 0.593 5.236 4.640 0.005 0.000 0.246 157 D C -0.627 175.662 176.300 -0.018 0.000 1.114 157 D CA 0.315 54.320 54.000 0.008 0.000 0.854 157 D CB 1.847 42.667 40.800 0.033 0.000 1.132 157 D HN 0.308 nan 8.370 nan 0.000 0.461 158 I N 2.568 123.067 120.570 -0.117 0.000 2.647 158 I HA 0.237 4.410 4.170 0.005 0.000 0.295 158 I C -2.465 173.607 176.117 -0.075 0.000 1.078 158 I CA -2.453 58.699 61.300 -0.246 0.000 1.048 158 I CB 2.723 40.348 38.000 -0.625 0.000 1.239 158 I HN -0.080 nan 8.210 nan 0.000 0.421 159 P HA 0.089 nan 4.420 nan 0.000 0.267 159 P C 0.152 177.436 177.300 -0.027 0.000 1.209 159 P CA -0.060 63.080 63.100 0.067 0.000 0.763 159 P CB 0.533 32.312 31.700 0.132 0.000 0.816 160 K N 1.735 122.078 120.400 -0.096 0.000 2.127 160 K HA -0.184 4.139 4.320 0.005 0.000 0.208 160 K C 1.826 178.344 176.600 -0.138 0.000 1.047 160 K CA 2.220 58.426 56.287 -0.135 0.000 0.927 160 K CB -0.452 31.969 32.500 -0.133 0.000 0.716 160 K HN 0.543 nan 8.250 nan 0.000 0.450 161 S N 0.042 115.643 115.700 -0.167 0.000 2.469 161 S HA -0.153 4.320 4.470 0.005 0.000 0.238 161 S C 1.670 176.169 174.600 -0.169 0.000 0.998 161 S CA 0.863 58.949 58.200 -0.190 0.000 0.957 161 S CB -0.403 62.648 63.200 -0.249 0.000 0.764 161 S HN 0.247 nan 8.310 nan 0.000 0.514 162 Y N 1.771 122.009 120.300 -0.102 0.000 2.337 162 Y HA 0.229 4.781 4.550 0.004 0.000 0.293 162 Y C 1.360 177.123 175.900 -0.228 0.000 1.123 162 Y CA -0.458 57.584 58.100 -0.096 0.000 1.201 162 Y CB -0.411 38.028 38.460 -0.036 0.000 1.011 162 Y HN 0.084 nan 8.280 nan 0.000 0.545 163 V N 2.328 122.149 119.914 -0.155 0.000 2.157 163 V HA 0.077 4.200 4.120 0.005 0.000 0.241 163 V C -0.200 175.495 176.094 -0.665 0.000 1.349 163 V CA 0.309 62.359 62.300 -0.416 0.000 1.319 163 V CB -1.100 30.536 31.823 -0.311 0.000 1.421 163 V HN 0.201 nan 8.190 nan 0.000 0.501 164 D N 1.241 121.159 120.400 -0.803 0.000 2.768 164 D HA 0.317 4.960 4.640 0.005 0.000 0.327 164 D C -0.521 175.487 176.300 -0.487 0.000 1.302 164 D CA -0.450 53.162 54.000 -0.647 0.000 0.897 164 D CB 2.550 43.230 40.800 -0.200 0.000 1.420 164 D HN 0.011 nan 8.370 nan 0.000 0.494 165 V N 0.623 120.534 119.914 -0.005 0.000 2.788 165 V HA 0.442 4.565 4.120 0.005 0.000 0.307 165 V C 1.675 177.826 176.094 0.095 0.000 1.069 165 V CA 1.597 64.014 62.300 0.194 0.000 1.173 165 V CB 0.484 32.419 31.823 0.188 0.000 0.925 165 V HN 0.957 nan 8.190 nan 0.000 0.492 166 G N 3.478 112.357 108.800 0.132 0.000 2.491 166 G HA2 -0.211 3.752 3.960 0.005 0.000 0.203 166 G HA3 -0.211 3.752 3.960 0.005 0.000 0.203 166 G C 0.251 175.214 174.900 0.104 0.000 1.052 166 G CA 0.127 45.286 45.100 0.099 0.000 0.675 166 G HN 0.709 nan 8.290 nan 0.000 0.504 167 M N 2.100 121.758 119.600 0.097 0.000 2.217 167 M HA 0.663 5.146 4.480 0.005 0.000 0.352 167 M C -0.515 175.898 176.300 0.188 0.000 1.376 167 M CA -0.375 54.990 55.300 0.109 0.000 1.107 167 M CB 0.766 33.381 32.600 0.024 0.000 1.723 167 M HN 0.267 nan 8.290 nan 0.000 0.461 168 L N 5.198 126.496 121.223 0.125 0.000 2.317 168 L HA 0.557 4.900 4.340 0.005 0.000 0.281 168 L C -0.663 176.255 176.870 0.081 0.000 1.024 168 L CA 0.179 55.083 54.840 0.107 0.000 0.810 168 L CB 2.204 44.303 42.059 0.066 0.000 1.240 168 L HN 0.713 nan 8.230 nan 0.000 0.427 169 T N 5.064 119.662 114.554 0.072 0.000 2.771 169 T HA 0.562 4.915 4.350 0.005 0.000 0.281 169 T C -0.586 174.116 174.700 0.004 0.000 0.982 169 T CA -0.445 61.673 62.100 0.030 0.000 0.978 169 T CB 0.862 69.753 68.868 0.039 0.000 0.930 169 T HN 0.538 nan 8.240 nan 0.000 0.447 170 R N 1.780 122.259 120.500 -0.035 0.000 2.532 170 R HA 0.714 5.057 4.340 0.005 0.000 0.297 170 R C -1.626 174.640 176.300 -0.057 0.000 0.984 170 R CA -0.634 55.456 56.100 -0.018 0.000 0.884 170 R CB 1.190 31.487 30.300 -0.005 0.000 1.182 170 R HN 0.714 nan 8.270 nan 0.000 0.442 171 A N 2.666 125.508 122.820 0.037 0.000 2.342 171 A HA 0.645 4.968 4.320 0.005 0.000 0.323 171 A C -0.997 176.697 177.584 0.182 0.000 1.125 171 A CA -0.588 51.471 52.037 0.036 0.000 0.785 171 A CB 2.025 21.153 19.000 0.214 0.000 1.221 171 A HN 0.649 nan 8.150 nan 0.000 0.463 172 T N 2.299 116.858 114.554 0.008 0.000 2.812 172 T HA 0.676 5.029 4.350 0.005 0.000 0.282 172 T C -1.080 173.643 174.700 0.039 0.000 0.990 172 T CA 0.087 62.307 62.100 0.199 0.000 0.960 172 T CB 0.272 69.275 68.868 0.225 0.000 0.948 172 T HN 0.380 nan 8.240 nan 0.000 0.438 173 F N 0.848 120.990 119.950 0.319 0.000 2.631 173 F HA 0.560 5.091 4.527 0.005 0.000 0.328 173 F C 0.898 176.881 175.800 0.305 0.000 1.067 173 F CA -1.422 56.797 58.000 0.366 0.000 0.969 173 F CB 1.145 40.464 39.000 0.531 0.000 1.332 173 F HN 0.316 nan 8.300 nan 0.000 0.490 174 L N -0.057 121.480 121.223 0.524 0.000 2.585 174 L HA 0.268 4.611 4.340 0.005 0.000 0.226 174 L C -0.092 176.778 176.870 0.001 0.000 1.113 174 L CA 0.537 55.519 54.840 0.237 0.000 0.876 174 L CB -0.040 42.152 42.059 0.222 0.000 1.072 174 L HN 0.505 nan 8.230 nan 0.000 0.468 175 E N -0.427 119.674 120.200 -0.164 0.000 2.446 175 E HA 0.253 4.606 4.350 0.005 0.000 0.276 175 E C -0.891 175.283 176.600 -0.711 0.000 0.969 175 E CA -0.517 55.521 56.400 -0.603 0.000 0.800 175 E CB 1.263 30.256 29.700 -1.178 0.000 1.341 175 E HN -0.023 nan 8.360 nan 0.000 0.460 176 Q N 0.877 120.209 119.800 -0.780 0.000 3.150 176 Q HA 0.125 4.468 4.340 0.005 0.000 0.297 176 Q C -0.774 175.012 176.000 -0.356 0.000 1.382 176 Q CA -0.294 54.918 55.803 -0.985 0.000 1.059 176 Q CB -0.292 27.835 28.738 -1.019 0.000 1.559 176 Q HN 0.239 nan 8.270 nan 0.000 0.548 177 W N 2.600 123.886 121.300 -0.022 0.000 2.476 177 W HA 0.006 4.669 4.660 0.005 0.000 0.338 177 W C -1.878 174.743 176.519 0.170 0.000 1.328 177 W CA -1.379 56.052 57.345 0.143 0.000 1.300 177 W CB -0.269 29.370 29.460 0.297 0.000 1.252 177 W HN 0.296 nan 8.180 nan 0.000 0.568 178 P HA 0.055 nan 4.420 nan 0.000 0.264 178 P C 0.757 178.176 177.300 0.198 0.000 1.193 178 P CA 1.260 64.495 63.100 0.225 0.000 0.763 178 P CB 0.621 32.403 31.700 0.136 0.000 0.810 179 G N 2.203 111.092 108.800 0.149 0.000 2.160 179 G HA2 -0.169 3.794 3.960 0.005 0.000 0.251 179 G HA3 -0.169 3.794 3.960 0.005 0.000 0.251 179 G C 0.407 175.354 174.900 0.078 0.000 1.008 179 G CA -0.108 45.039 45.100 0.078 0.000 0.724 179 G HN 0.825 nan 8.290 nan 0.000 0.514 180 A N 0.054 122.939 122.820 0.108 0.000 2.492 180 A HA 0.614 4.937 4.320 0.005 0.000 0.254 180 A C 0.637 178.191 177.584 -0.051 0.000 1.091 180 A CA 1.081 53.132 52.037 0.023 0.000 0.768 180 A CB 0.236 19.137 19.000 -0.166 0.000 1.028 180 A HN 1.366 nan 8.150 nan 0.000 0.498 181 K N 0.886 121.336 120.400 0.083 0.000 2.527 181 K HA 0.706 5.029 4.320 0.005 0.000 0.260 181 K C -1.682 175.035 176.600 0.195 0.000 0.937 181 K CA -0.868 55.462 56.287 0.072 0.000 0.826 181 K CB 2.036 34.550 32.500 0.024 0.000 1.359 181 K HN 0.218 nan 8.250 nan 0.000 0.434 182 V N 1.586 121.585 119.914 0.142 0.000 2.487 182 V HA 0.445 4.568 4.120 0.005 0.000 0.298 182 V C -0.783 175.356 176.094 0.074 0.000 1.028 182 V CA -0.554 61.842 62.300 0.160 0.000 0.860 182 V CB 1.757 33.661 31.823 0.136 0.000 0.991 182 V HN 0.922 nan 8.190 nan 0.000 0.427 183 T N 3.987 118.591 114.554 0.083 0.000 2.807 183 T HA 0.576 4.929 4.350 0.005 0.000 0.279 183 T C -0.494 174.231 174.700 0.041 0.000 0.993 183 T CA -0.424 61.690 62.100 0.024 0.000 0.970 183 T CB 1.821 70.691 68.868 0.002 0.000 0.950 183 T HN 0.339 nan 8.240 nan 0.000 0.441 184 V N 4.803 124.728 119.914 0.018 0.000 2.313 184 V HA 0.355 4.478 4.120 0.005 0.000 0.278 184 V C -0.009 176.121 176.094 0.061 0.000 1.017 184 V CA -0.669 61.668 62.300 0.061 0.000 0.823 184 V CB 0.912 32.799 31.823 0.107 0.000 1.010 184 V HN 0.884 nan 8.190 nan 0.000 0.443 185 M N 6.308 125.935 119.600 0.047 0.000 2.146 185 M HA 0.491 4.974 4.480 0.005 0.000 0.352 185 M C -0.702 175.639 176.300 0.068 0.000 1.343 185 M CA 0.273 55.592 55.300 0.032 0.000 1.115 185 M CB 0.580 33.181 32.600 0.001 0.000 1.657 185 M HN 0.441 nan 8.290 nan 0.000 0.471 186 I N 6.507 127.158 120.570 0.136 0.000 2.420 186 I HA 0.340 4.513 4.170 0.005 0.000 0.282 186 I C -2.182 173.949 176.117 0.023 0.000 1.019 186 I CA -1.968 59.377 61.300 0.075 0.000 1.130 186 I CB 1.472 39.578 38.000 0.177 0.000 1.262 186 I HN 0.367 nan 8.210 nan 0.000 0.454 187 P HA 0.146 nan 4.420 nan 0.000 0.287 187 P C -0.462 176.778 177.300 -0.100 0.000 1.294 187 P CA -0.071 63.023 63.100 -0.010 0.000 0.776 187 P CB 0.799 32.490 31.700 -0.016 0.000 0.889 188 Y N 1.484 121.856 120.300 0.120 0.000 2.503 188 Y HA 0.025 4.578 4.550 0.006 0.000 0.278 188 Y C 1.678 177.612 175.900 0.056 0.000 1.111 188 Y CA 0.837 58.945 58.100 0.014 0.000 1.270 188 Y CB 0.583 39.064 38.460 0.035 0.000 1.063 188 Y HN 0.428 nan 8.280 nan 0.000 0.548 189 S N -2.319 113.547 115.700 0.276 0.000 2.688 189 S HA 0.219 4.692 4.470 0.005 0.000 0.275 189 S C 0.879 175.583 174.600 0.174 0.000 1.175 189 S CA -0.215 58.120 58.200 0.225 0.000 0.818 189 S CB 0.974 64.340 63.200 0.277 0.000 1.157 189 S HN 0.064 nan 8.310 nan 0.000 0.482 190 S N 0.184 115.969 115.700 0.142 0.000 2.419 190 S HA -0.057 4.416 4.470 0.005 0.000 0.233 190 S C 1.343 176.012 174.600 0.115 0.000 1.016 190 S CA 1.472 59.734 58.200 0.103 0.000 0.974 190 S CB -1.169 62.082 63.200 0.085 0.000 0.786 190 S HN 1.413 nan 8.310 nan 0.000 0.492 191 T N -2.632 112.024 114.554 0.170 0.000 3.200 191 T HA 0.472 4.825 4.350 0.005 0.000 0.284 191 T C -0.531 174.326 174.700 0.262 0.000 1.009 191 T CA -0.678 61.531 62.100 0.181 0.000 0.907 191 T CB -0.490 68.486 68.868 0.181 0.000 1.120 191 T HN 0.276 nan 8.240 nan 0.000 0.534 192 F N 2.019 122.038 119.950 0.114 0.000 2.612 192 F HA 0.580 5.109 4.527 0.004 0.000 0.332 192 F C -1.139 174.739 175.800 0.130 0.000 1.167 192 F CA -0.379 57.685 58.000 0.108 0.000 0.970 192 F CB 1.916 40.997 39.000 0.136 0.000 1.234 192 F HN -0.051 nan 8.300 nan 0.000 0.453 193 T N 5.135 119.366 114.554 -0.539 0.000 2.792 193 T HA 0.198 4.551 4.350 0.005 0.000 0.280 193 T C -1.632 172.806 174.700 -0.437 0.000 0.990 193 T CA -0.282 61.645 62.100 -0.288 0.000 0.960 193 T CB 0.797 69.571 68.868 -0.156 0.000 0.939 193 T HN 0.607 nan 8.240 nan 0.000 0.439 194 W N 3.795 124.945 121.300 -0.250 0.000 2.478 194 W HA 0.570 5.233 4.660 0.005 0.000 0.318 194 W C -1.054 175.441 176.519 -0.039 0.000 1.062 194 W CA -0.708 56.557 57.345 -0.133 0.000 1.210 194 W CB 0.772 30.352 29.460 0.199 0.000 1.325 194 W HN 0.559 nan 8.180 nan 0.000 0.496 195 c N 5.433 123.701 118.600 -0.552 0.000 2.281 195 c HA 0.695 5.268 4.570 0.005 0.000 0.323 195 c C 0.835 174.384 174.090 -0.903 0.000 1.270 195 c CA -0.656 55.378 56.329 -0.492 0.000 1.559 195 c CB 0.202 42.515 42.510 -0.328 0.000 2.239 195 c HN 0.836 nan 8.230 nan 0.000 0.488 196 G N 2.439 110.875 108.800 -0.608 0.000 2.319 196 G HA2 0.528 4.491 3.960 0.005 0.000 0.308 196 G HA3 0.528 4.491 3.960 0.005 0.000 0.308 196 G C -0.842 173.903 174.900 -0.257 0.000 1.117 196 G CA -0.011 44.765 45.100 -0.539 0.000 0.903 196 G HN 0.817 nan 8.290 nan 0.000 0.436 197 E N 2.700 122.752 120.200 -0.246 0.000 2.210 197 E HA 0.455 4.808 4.350 0.005 0.000 0.266 197 E C -0.919 175.618 176.600 -0.105 0.000 0.883 197 E CA -0.710 55.605 56.400 -0.141 0.000 0.761 197 E CB 1.464 31.079 29.700 -0.143 0.000 1.156 197 E HN 0.328 nan 8.360 nan 0.000 0.412 198 L N 3.793 124.976 121.223 -0.067 0.000 2.280 198 L HA 0.525 4.868 4.340 0.005 0.000 0.287 198 L C 0.340 177.159 176.870 -0.085 0.000 1.023 198 L CA -0.731 54.067 54.840 -0.070 0.000 0.819 198 L CB 1.707 43.736 42.059 -0.049 0.000 1.212 198 L HN 0.626 nan 8.230 nan 0.000 0.420 199 G N 2.271 111.006 108.800 -0.109 0.000 2.343 199 G HA2 0.587 4.550 3.960 0.005 0.000 0.319 199 G HA3 0.587 4.550 3.960 0.005 0.000 0.319 199 G C -0.288 174.481 174.900 -0.217 0.000 1.126 199 G CA -0.442 44.581 45.100 -0.129 0.000 0.889 199 G HN 0.702 nan 8.290 nan 0.000 0.457 200 A N 2.114 124.743 122.820 -0.319 0.000 2.404 200 A HA 0.579 4.902 4.320 0.005 0.000 0.273 200 A C 0.122 177.477 177.584 -0.381 0.000 1.144 200 A CA -0.185 51.492 52.037 -0.599 0.000 0.806 200 A CB -0.255 18.140 19.000 -1.008 0.000 1.080 200 A HN 1.182 nan 8.150 nan 0.000 0.509 201 I N -0.247 120.115 120.570 -0.347 0.000 2.785 201 I HA 0.583 4.756 4.170 0.005 0.000 0.302 201 I C 0.196 176.300 176.117 -0.022 0.000 1.069 201 I CA -0.717 60.513 61.300 -0.117 0.000 1.045 201 I CB 1.499 39.461 38.000 -0.064 0.000 1.236 201 I HN 0.345 nan 8.210 nan 0.000 0.429 202 S N 2.621 118.395 115.700 0.123 0.000 2.643 202 S HA -0.067 4.406 4.470 0.005 0.000 0.310 202 S C 1.101 175.808 174.600 0.178 0.000 1.253 202 S CA 0.222 58.549 58.200 0.212 0.000 1.047 202 S CB -0.097 63.179 63.200 0.128 0.000 0.767 202 S HN 0.792 nan 8.310 nan 0.000 0.498 203 E N 2.466 122.809 120.200 0.238 0.000 2.086 203 E HA -0.284 4.069 4.350 0.005 0.000 0.200 203 E C 2.027 178.687 176.600 0.101 0.000 1.012 203 E CA 1.666 58.172 56.400 0.177 0.000 0.812 203 E CB -0.218 29.572 29.700 0.150 0.000 0.743 203 E HN 0.905 nan 8.360 nan 0.000 0.453 204 E N 1.467 121.717 120.200 0.083 0.000 2.204 204 E HA -0.069 4.284 4.350 0.005 0.000 0.195 204 E C 0.541 177.170 176.600 0.048 0.000 0.990 204 E CA 0.555 56.989 56.400 0.056 0.000 0.821 204 E CB -0.058 29.669 29.700 0.046 0.000 0.750 204 E HN -0.022 nan 8.360 nan 0.000 0.477 205 S N 0.777 116.509 115.700 0.052 0.000 2.600 205 S HA 0.471 4.944 4.470 0.005 0.000 0.265 205 S C 0.062 174.680 174.600 0.029 0.000 1.325 205 S CA -0.361 57.861 58.200 0.037 0.000 1.002 205 S CB 1.432 64.652 63.200 0.033 0.000 0.921 205 S HN 0.454 nan 8.310 nan 0.000 0.554 206 A N 1.673 124.506 122.820 0.021 0.000 2.320 206 A HA 0.725 5.048 4.320 0.005 0.000 0.334 206 A C -2.719 174.869 177.584 0.007 0.000 1.147 206 A CA -2.179 49.868 52.037 0.017 0.000 0.820 206 A CB -0.262 18.748 19.000 0.017 0.000 1.218 206 A HN 0.544 nan 8.150 nan 0.000 0.482 207 P HA -0.009 nan 4.420 nan 0.000 0.261 207 P C -0.819 176.478 177.300 -0.006 0.000 1.165 207 P CA 0.812 63.908 63.100 -0.007 0.000 0.759 207 P CB 0.195 31.894 31.700 -0.001 0.000 0.772 208 Q N 4.493 124.284 119.800 -0.015 0.000 2.626 208 Q HA 0.247 4.590 4.340 0.005 0.000 0.239 208 Q C -2.134 173.854 176.000 -0.020 0.000 1.101 208 Q CA -1.814 53.981 55.803 -0.014 0.000 0.918 208 Q CB 1.002 29.733 28.738 -0.011 0.000 1.151 208 Q HN 0.397 nan 8.270 nan 0.000 0.531 209 P HA 0.021 nan 4.420 nan 0.000 0.278 209 P C -0.274 177.013 177.300 -0.022 0.000 1.238 209 P CA -0.111 62.980 63.100 -0.015 0.000 0.794 209 P CB 1.403 33.102 31.700 -0.003 0.000 0.955 210 S N 2.230 117.914 115.700 -0.026 0.000 2.614 210 S HA 0.179 4.652 4.470 0.005 0.000 0.265 210 S C 0.486 175.067 174.600 -0.032 0.000 1.303 210 S CA -0.790 57.388 58.200 -0.037 0.000 1.000 210 S CB 0.115 63.290 63.200 -0.041 0.000 0.935 210 S HN 0.420 nan 8.310 nan 0.000 0.551 211 L N 2.480 123.674 121.223 -0.047 0.000 2.382 211 L HA 0.382 4.725 4.340 0.005 0.000 0.259 211 L C -0.631 176.181 176.870 -0.097 0.000 1.291 211 L CA 0.537 55.349 54.840 -0.046 0.000 1.176 211 L CB -1.243 40.789 42.059 -0.045 0.000 1.373 211 L HN 0.684 nan 8.230 nan 0.000 0.426 212 S N 3.054 118.723 115.700 -0.051 0.000 2.561 212 S HA 0.926 5.399 4.470 0.005 0.000 0.303 212 S C -0.385 174.222 174.600 0.011 0.000 1.110 212 S CA -0.354 57.811 58.200 -0.058 0.000 1.034 212 S CB 1.719 64.919 63.200 0.000 0.000 1.010 212 S HN 0.757 nan 8.310 nan 0.000 0.482 213 A N 2.622 125.470 122.820 0.047 0.000 2.469 213 A HA 0.868 5.191 4.320 0.005 0.000 0.299 213 A C -0.778 176.869 177.584 0.105 0.000 1.098 213 A CA -0.865 51.242 52.037 0.116 0.000 0.737 213 A CB 1.486 20.612 19.000 0.210 0.000 1.312 213 A HN 0.732 nan 8.150 nan 0.000 0.414 214 R N 0.880 121.422 120.500 0.069 0.000 2.439 214 R HA 0.578 4.921 4.340 0.005 0.000 0.310 214 R C -1.190 175.110 176.300 0.000 0.000 0.955 214 R CA 0.009 56.129 56.100 0.032 0.000 0.853 214 R CB 1.422 31.739 30.300 0.029 0.000 1.171 214 R HN 0.736 nan 8.270 nan 0.000 0.449 215 S N 5.564 121.241 115.700 -0.039 0.000 2.552 215 S HA 0.511 4.984 4.470 0.005 0.000 0.314 215 S C -2.542 171.954 174.600 -0.173 0.000 1.099 215 S CA -1.602 56.548 58.200 -0.084 0.000 1.070 215 S CB 1.628 64.784 63.200 -0.074 0.000 0.998 215 S HN 0.526 nan 8.310 nan 0.000 0.474 216 P HA 0.193 nan 4.420 nan 0.000 0.251 216 P C 1.099 178.272 177.300 -0.212 0.000 1.718 216 P CA -0.384 62.555 63.100 -0.269 0.000 1.119 216 P CB 0.803 32.348 31.700 -0.258 0.000 1.762 217 V N 1.829 121.586 119.914 -0.261 0.000 2.370 217 V HA -0.233 3.890 4.120 0.005 0.000 0.252 217 V C 1.267 177.322 176.094 -0.065 0.000 1.068 217 V CA 1.777 63.974 62.300 -0.171 0.000 1.061 217 V CB -0.907 30.765 31.823 -0.250 0.000 0.656 217 V HN 0.544 nan 8.190 nan 0.000 0.455 218 c N 1.722 120.290 118.600 -0.054 0.000 2.185 218 c HA 0.411 4.984 4.570 0.005 0.000 0.357 218 c C 0.513 174.630 174.090 0.045 0.000 1.053 218 c CA -1.437 54.921 56.329 0.049 0.000 1.552 218 c CB -1.441 41.119 42.510 0.083 0.000 1.679 218 c HN 0.377 nan 8.230 nan 0.000 0.453 219 K N 2.251 122.669 120.400 0.030 0.000 2.218 219 K HA 0.166 4.489 4.320 0.005 0.000 0.276 219 K C 0.512 177.075 176.600 -0.062 0.000 1.022 219 K CA -0.067 56.178 56.287 -0.069 0.000 0.946 219 K CB 0.355 32.792 32.500 -0.105 0.000 1.000 219 K HN 0.643 nan 8.250 nan 0.000 0.468 220 N N 1.943 120.572 118.700 -0.119 0.000 2.663 220 N HA -0.164 4.579 4.740 0.005 0.000 0.263 220 N C 0.533 175.945 175.510 -0.164 0.000 1.109 220 N CA 0.696 53.658 53.050 -0.146 0.000 0.701 220 N CB -0.649 37.732 38.487 -0.177 0.000 0.879 220 N HN 0.780 nan 8.380 nan 0.000 0.550 221 S N -0.055 115.523 115.700 -0.202 0.000 2.440 221 S HA -0.119 4.354 4.470 0.005 0.000 0.238 221 S C 2.031 176.415 174.600 -0.359 0.000 1.010 221 S CA 1.196 59.134 58.200 -0.438 0.000 0.972 221 S CB -0.135 62.543 63.200 -0.869 0.000 0.774 221 S HN 0.621 nan 8.310 nan 0.000 0.501 222 A N 2.433 125.124 122.820 -0.216 0.000 1.969 222 A HA -0.011 4.312 4.320 0.005 0.000 0.218 222 A C 2.265 179.783 177.584 -0.111 0.000 1.169 222 A CA 1.276 53.240 52.037 -0.122 0.000 0.635 222 A CB -0.807 18.148 19.000 -0.074 0.000 0.810 222 A HN 0.615 nan 8.150 nan 0.000 0.445 223 R N -1.488 118.879 120.500 -0.222 0.000 2.170 223 R HA -0.194 4.149 4.340 0.005 0.000 0.242 223 R C 0.675 176.773 176.300 -0.338 0.000 1.145 223 R CA 1.782 57.711 56.100 -0.286 0.000 0.984 223 R CB -0.312 29.608 30.300 -0.634 0.000 0.869 223 R HN 0.593 nan 8.270 nan 0.000 0.455 224 Y N -0.018 120.199 120.300 -0.138 0.000 2.468 224 Y HA 0.106 4.659 4.550 0.005 0.000 0.268 224 Y C 2.075 177.972 175.900 -0.004 0.000 1.177 224 Y CA 0.397 58.369 58.100 -0.214 0.000 1.265 224 Y CB 0.465 38.754 38.460 -0.285 0.000 1.103 224 Y HN 0.166 nan 8.280 nan 0.000 0.522 225 S N -1.261 114.509 115.700 0.118 0.000 2.515 225 S HA -0.010 4.463 4.470 0.005 0.000 0.231 225 S C 0.913 175.583 174.600 0.116 0.000 0.987 225 S CA 0.755 59.031 58.200 0.126 0.000 0.936 225 S CB -0.657 62.585 63.200 0.070 0.000 0.766 225 S HN 0.373 nan 8.310 nan 0.000 0.528 226 T N -2.010 112.621 114.554 0.128 0.000 2.754 226 T HA 0.537 4.890 4.350 0.005 0.000 0.296 226 T C 0.451 175.265 174.700 0.190 0.000 1.205 226 T CA -0.118 62.044 62.100 0.102 0.000 1.009 226 T CB 1.140 70.015 68.868 0.012 0.000 1.368 226 T HN 0.150 nan 8.240 nan 0.000 0.509 227 S N -0.823 114.930 115.700 0.089 0.000 2.593 227 S HA 0.101 4.574 4.470 0.005 0.000 0.217 227 S C 1.650 176.232 174.600 -0.030 0.000 0.966 227 S CA 0.154 58.379 58.200 0.043 0.000 0.914 227 S CB -0.481 62.683 63.200 -0.059 0.000 0.776 227 S HN 0.817 nan 8.310 nan 0.000 0.523 228 K N 1.021 121.355 120.400 -0.110 0.000 2.107 228 K HA -0.175 4.148 4.320 0.005 0.000 0.211 228 K C 0.337 176.704 176.600 -0.387 0.000 1.049 228 K CA 1.729 57.812 56.287 -0.340 0.000 0.927 228 K CB -0.290 31.845 32.500 -0.610 0.000 0.714 228 K HN 0.488 nan 8.250 nan 0.000 0.452 229 F N -0.371 119.634 119.950 0.091 0.000 2.641 229 F HA 0.157 4.687 4.527 0.005 0.000 0.302 229 F C 1.793 177.637 175.800 0.072 0.000 1.098 229 F CA -0.660 57.392 58.000 0.088 0.000 1.318 229 F CB -0.297 38.757 39.000 0.090 0.000 1.035 229 F HN 0.072 nan 8.300 nan 0.000 0.551 230 C N 0.160 119.474 119.300 0.023 0.000 2.398 230 C HA -0.218 4.245 4.460 0.005 0.000 0.276 230 C C 2.909 177.839 174.990 -0.100 0.000 1.222 230 C CA 1.511 60.362 59.018 -0.279 0.000 1.746 230 C CB -0.538 26.972 27.740 -0.384 0.000 2.039 230 C HN 0.456 nan 8.230 nan 0.000 0.470 231 E N 0.442 120.621 120.200 -0.036 0.000 2.047 231 E HA -0.125 4.228 4.350 0.005 0.000 0.191 231 E C 2.081 178.704 176.600 0.039 0.000 0.987 231 E CA 1.118 57.513 56.400 -0.007 0.000 0.799 231 E CB -0.222 29.473 29.700 -0.008 0.000 0.752 231 E HN 0.380 nan 8.360 nan 0.000 0.449 232 V N 1.386 121.356 119.914 0.094 0.000 2.407 232 V HA -0.208 3.915 4.120 0.005 0.000 0.248 232 V C 1.203 177.357 176.094 0.100 0.000 1.055 232 V CA 2.031 64.398 62.300 0.112 0.000 1.049 232 V CB -0.414 31.523 31.823 0.190 0.000 0.662 232 V HN 0.245 nan 8.190 nan 0.000 0.455 233 D N -0.039 120.444 120.400 0.138 0.000 2.349 233 D HA 0.147 4.790 4.640 0.005 0.000 0.224 233 D C 1.688 178.051 176.300 0.106 0.000 1.029 233 D CA 1.017 55.107 54.000 0.150 0.000 0.879 233 D CB 0.156 41.137 40.800 0.302 0.000 0.906 233 D HN 0.512 nan 8.370 nan 0.000 0.528 234 G N 0.653 109.488 108.800 0.059 0.000 2.225 234 G HA2 -0.292 3.671 3.960 0.005 0.000 0.264 234 G HA3 -0.292 3.671 3.960 0.005 0.000 0.264 234 G C 0.210 175.127 174.900 0.027 0.000 1.060 234 G CA 0.026 45.147 45.100 0.035 0.000 0.833 234 G HN 0.385 nan 8.290 nan 0.000 0.498 235 c N 1.739 120.330 118.600 -0.016 0.000 2.357 235 c HA 0.785 5.358 4.570 0.005 0.000 0.300 235 c C 0.842 174.855 174.090 -0.129 0.000 1.074 235 c CA 0.031 56.325 56.329 -0.058 0.000 1.566 235 c CB -0.776 41.666 42.510 -0.113 0.000 1.791 235 c HN 0.936 nan 8.230 nan 0.000 0.415 236 T N -1.339 113.181 114.554 -0.057 0.000 2.804 236 T HA 0.680 5.033 4.350 0.005 0.000 0.290 236 T C 0.928 175.618 174.700 -0.018 0.000 1.099 236 T CA 0.151 62.217 62.100 -0.056 0.000 1.011 236 T CB 1.452 70.293 68.868 -0.046 0.000 1.291 236 T HN 0.297 nan 8.240 nan 0.000 0.523 237 A N 0.383 123.193 122.820 -0.016 0.000 1.969 237 A HA 0.003 4.326 4.320 0.005 0.000 0.218 237 A C 2.123 179.702 177.584 -0.009 0.000 1.169 237 A CA 1.298 53.332 52.037 -0.004 0.000 0.635 237 A CB -0.850 18.147 19.000 -0.006 0.000 0.810 237 A HN 0.869 nan 8.150 nan 0.000 0.445 238 E N 0.575 120.768 120.200 -0.011 0.000 2.051 238 E HA -0.183 4.170 4.350 0.005 0.000 0.192 238 E C 1.948 178.545 176.600 -0.005 0.000 0.991 238 E CA 1.876 58.271 56.400 -0.009 0.000 0.799 238 E CB -1.581 28.113 29.700 -0.009 0.000 0.748 238 E HN 0.724 nan 8.360 nan 0.000 0.449 239 T N -2.256 112.296 114.554 -0.003 0.000 3.160 239 T HA 0.279 4.632 4.350 0.005 0.000 0.257 239 T C 1.406 176.107 174.700 0.002 0.000 1.147 239 T CA 0.620 62.722 62.100 0.003 0.000 1.064 239 T CB -0.227 68.646 68.868 0.010 0.000 0.949 239 T HN 0.385 nan 8.240 nan 0.000 0.526 240 G N 2.194 110.992 108.800 -0.004 0.000 2.221 240 G HA2 -0.256 3.707 3.960 0.005 0.000 0.265 240 G HA3 -0.256 3.707 3.960 0.005 0.000 0.265 240 G C 0.458 175.356 174.900 -0.003 0.000 1.041 240 G CA -0.053 45.036 45.100 -0.017 0.000 0.807 240 G HN 0.566 nan 8.290 nan 0.000 0.502 241 M N -1.606 118.012 119.600 0.030 0.000 2.298 241 M HA -0.147 4.336 4.480 0.005 0.000 0.196 241 M C 0.045 176.387 176.300 0.070 0.000 0.531 241 M CA 1.398 56.745 55.300 0.079 0.000 0.459 241 M CB -2.220 30.475 32.600 0.159 0.000 1.279 241 M HN 0.738 nan 8.290 nan 0.000 0.915 242 E N 0.179 120.409 120.200 0.051 0.000 2.255 242 E HA 0.499 4.852 4.350 0.005 0.000 0.256 242 E C -0.163 176.468 176.600 0.052 0.000 0.887 242 E CA -0.696 55.734 56.400 0.049 0.000 0.782 242 E CB 1.686 31.404 29.700 0.029 0.000 1.214 242 E HN 0.122 nan 8.360 nan 0.000 0.417 243 K N 4.672 125.112 120.400 0.067 0.000 2.579 243 K HA 0.287 4.610 4.320 0.005 0.000 0.225 243 K C -1.105 175.526 176.600 0.051 0.000 0.992 243 K CA -0.476 55.849 56.287 0.064 0.000 1.018 243 K CB 0.414 32.971 32.500 0.096 0.000 1.249 243 K HN 0.358 nan 8.250 nan 0.000 0.489 244 M N 2.012 121.630 119.600 0.031 0.000 2.249 244 M HA 0.370 4.853 4.480 0.005 0.000 0.351 244 M C -0.069 176.233 176.300 0.004 0.000 1.180 244 M CA -0.292 55.017 55.300 0.014 0.000 1.127 244 M CB 0.900 33.503 32.600 0.006 0.000 1.546 244 M HN 0.690 nan 8.290 nan 0.000 0.461 245 S N 2.011 117.703 115.700 -0.013 0.000 2.549 245 S HA 0.708 5.181 4.470 0.005 0.000 0.280 245 S C -0.927 173.639 174.600 -0.056 0.000 1.109 245 S CA -1.031 57.153 58.200 -0.026 0.000 0.905 245 S CB 1.957 65.143 63.200 -0.023 0.000 1.081 245 S HN 0.547 nan 8.310 nan 0.000 0.477 246 L N 2.456 123.645 121.223 -0.057 0.000 2.367 246 L HA 0.439 4.782 4.340 0.005 0.000 0.275 246 L C 0.424 177.209 176.870 -0.142 0.000 1.129 246 L CA -0.079 54.712 54.840 -0.082 0.000 0.839 246 L CB 0.190 42.225 42.059 -0.040 0.000 1.133 246 L HN 0.942 nan 8.230 nan 0.000 0.453 247 L N 1.895 122.963 121.223 -0.258 0.000 2.388 247 L HA 0.153 4.496 4.340 0.005 0.000 0.209 247 L C 0.645 177.288 176.870 -0.378 0.000 1.061 247 L CA 0.122 54.667 54.840 -0.492 0.000 0.834 247 L CB -0.129 41.310 42.059 -1.033 0.000 1.029 247 L HN 0.581 nan 8.230 nan 0.000 0.473 248 T N 3.450 117.880 114.554 -0.207 0.000 2.799 248 T HA 0.156 4.509 4.350 0.005 0.000 0.296 248 T C -2.111 172.619 174.700 0.050 0.000 0.947 248 T CA -0.835 61.285 62.100 0.033 0.000 1.141 248 T CB 0.549 69.448 68.868 0.051 0.000 0.891 248 T HN 0.058 nan 8.240 nan 0.000 0.533 249 P HA 0.122 nan 4.420 nan 0.000 0.274 249 P C 0.964 178.342 177.300 0.130 0.000 1.246 249 P CA -0.701 62.465 63.100 0.109 0.000 0.795 249 P CB 0.689 32.456 31.700 0.111 0.000 1.006 250 F N 2.256 122.212 119.950 0.011 0.000 2.039 250 F HA -0.193 4.337 4.527 0.005 0.000 0.296 250 F C 2.037 177.842 175.800 0.010 0.000 1.119 250 F CA 2.799 60.803 58.000 0.007 0.000 1.211 250 F CB -1.291 37.712 39.000 0.005 0.000 0.956 250 F HN 0.425 nan 8.300 nan 0.000 0.496 251 G N -0.117 108.593 108.800 -0.150 0.000 3.379 251 G HA2 0.355 4.318 3.960 0.005 0.000 0.253 251 G HA3 0.355 4.318 3.960 0.005 0.000 0.253 251 G C 0.737 175.554 174.900 -0.138 0.000 1.262 251 G CA 0.186 45.121 45.100 -0.275 0.000 0.959 251 G HN 0.741 nan 8.290 nan 0.000 0.524 252 G N 0.367 109.116 108.800 -0.085 0.000 2.611 252 G HA2 0.463 4.426 3.960 0.005 0.000 0.273 252 G HA3 0.463 4.426 3.960 0.005 0.000 0.273 252 G C -2.092 172.776 174.900 -0.054 0.000 1.305 252 G CA -0.847 44.232 45.100 -0.034 0.000 1.010 252 G HN 0.161 nan 8.290 nan 0.000 0.509 253 P HA 0.159 nan 4.420 nan 0.000 0.271 253 P C -1.573 175.711 177.300 -0.026 0.000 1.244 253 P CA -0.910 62.174 63.100 -0.027 0.000 0.793 253 P CB 0.434 32.128 31.700 -0.011 0.000 0.984 254 P HA -0.121 nan 4.420 nan 0.000 0.229 254 P C -0.083 177.208 177.300 -0.016 0.000 1.150 254 P CA 1.202 64.288 63.100 -0.023 0.000 0.765 254 P CB 0.340 32.031 31.700 -0.014 0.000 0.783 255 Q N -0.033 119.763 119.800 -0.007 0.000 2.222 255 Q HA 0.394 4.737 4.340 0.005 0.000 0.252 255 Q C -0.137 175.866 176.000 0.005 0.000 0.926 255 Q CA -0.191 55.606 55.803 -0.010 0.000 0.899 255 Q CB 1.295 30.027 28.738 -0.011 0.000 1.250 255 Q HN 0.058 nan 8.270 nan 0.000 0.441 256 Q N 0.889 120.684 119.800 -0.008 0.000 2.333 256 Q HA 0.743 5.086 4.340 0.005 0.000 0.268 256 Q C -1.606 174.386 176.000 -0.014 0.000 1.007 256 Q CA -0.661 55.139 55.803 -0.006 0.000 0.810 256 Q CB 1.226 29.955 28.738 -0.016 0.000 1.264 256 Q HN 0.736 nan 8.270 nan 0.000 0.452 257 A N 4.325 127.134 122.820 -0.017 0.000 2.337 257 A HA 0.740 5.063 4.320 0.005 0.000 0.329 257 A C -1.114 176.387 177.584 -0.137 0.000 1.146 257 A CA -0.601 51.403 52.037 -0.054 0.000 0.800 257 A CB 1.097 20.102 19.000 0.009 0.000 1.220 257 A HN 0.753 nan 8.150 nan 0.000 0.472 258 K N 1.268 121.605 120.400 -0.105 0.000 2.469 258 K HA 0.604 4.927 4.320 0.005 0.000 0.254 258 K C -0.950 175.603 176.600 -0.078 0.000 0.939 258 K CA -0.499 55.726 56.287 -0.102 0.000 0.812 258 K CB 2.459 34.925 32.500 -0.058 0.000 1.301 258 K HN 0.895 nan 8.250 nan 0.000 0.433 259 M N 0.113 119.667 119.600 -0.076 0.000 2.598 259 M HA 0.514 4.997 4.480 0.005 0.000 0.317 259 M C -0.765 175.536 176.300 0.002 0.000 1.179 259 M CA -0.617 54.661 55.300 -0.036 0.000 0.936 259 M CB 1.689 34.251 32.600 -0.062 0.000 1.713 259 M HN 0.309 nan 8.290 nan 0.000 0.460 260 N N 0.677 119.402 118.700 0.041 0.000 2.372 260 N HA 0.401 5.144 4.740 0.005 0.000 0.291 260 N C 0.125 175.695 175.510 0.099 0.000 1.024 260 N CA -0.252 52.838 53.050 0.066 0.000 0.873 260 N CB 1.873 40.402 38.487 0.070 0.000 1.206 260 N HN 0.884 nan 8.380 nan 0.000 0.486 261 T N -1.096 113.521 114.554 0.105 0.000 3.037 261 T HA 0.025 4.378 4.350 0.005 0.000 0.251 261 T C 1.813 176.601 174.700 0.147 0.000 1.079 261 T CA 0.275 62.445 62.100 0.117 0.000 1.067 261 T CB -0.650 68.291 68.868 0.122 0.000 0.948 261 T HN 0.497 nan 8.240 nan 0.000 0.496 262 c N 2.508 121.231 118.600 0.204 0.000 2.403 262 c HA 0.029 4.602 4.570 0.005 0.000 0.279 262 c C -0.080 174.189 174.090 0.299 0.000 1.269 262 c CA 0.523 57.036 56.329 0.306 0.000 1.774 262 c CB -1.524 41.133 42.510 0.244 0.000 1.993 262 c HN 0.467 nan 8.230 nan 0.000 0.496 263 P HA -0.097 nan 4.420 nan 0.000 0.218 263 P C 1.417 178.756 177.300 0.066 0.000 1.146 263 P CA 1.389 64.581 63.100 0.153 0.000 0.813 263 P CB -0.367 31.334 31.700 0.002 0.000 0.778 264 c N -2.650 115.906 118.600 -0.073 0.000 2.401 264 c HA -0.191 4.382 4.570 0.005 0.000 0.276 264 c C 2.405 176.322 174.090 -0.287 0.000 1.233 264 c CA 0.784 56.903 56.329 -0.349 0.000 1.753 264 c CB -2.092 39.717 42.510 -1.168 0.000 2.029 264 c HN 0.233 nan 8.230 nan 0.000 0.478 265 Y N -0.791 119.435 120.300 -0.124 0.000 2.181 265 Y HA -0.204 4.349 4.550 0.005 0.000 0.288 265 Y C 2.344 178.151 175.900 -0.154 0.000 1.146 265 Y CA 2.016 60.098 58.100 -0.030 0.000 1.164 265 Y CB -0.736 37.669 38.460 -0.091 0.000 0.982 265 Y HN 0.390 nan 8.280 nan 0.000 0.515 266 Y N -0.393 119.970 120.300 0.105 0.000 2.439 266 Y HA -0.136 4.417 4.550 0.005 0.000 0.292 266 Y C 2.373 178.226 175.900 -0.078 0.000 1.130 266 Y CA 1.213 59.322 58.100 0.014 0.000 1.254 266 Y CB -0.219 38.225 38.460 -0.027 0.000 1.000 266 Y HN 0.024 nan 8.280 nan 0.000 0.554 267 K N -0.896 119.466 120.400 -0.063 0.000 2.116 267 K HA -0.128 4.195 4.320 0.005 0.000 0.203 267 K C 0.864 177.188 176.600 -0.460 0.000 1.052 267 K CA 1.461 57.555 56.287 -0.322 0.000 0.952 267 K CB -0.084 32.098 32.500 -0.530 0.000 0.729 267 K HN 0.281 nan 8.250 nan 0.000 0.446 268 Y N -0.297 120.014 120.300 0.018 0.000 2.535 268 Y HA 0.235 4.788 4.550 0.005 0.000 0.266 268 Y C 0.919 176.854 175.900 0.059 0.000 1.088 268 Y CA -0.247 57.883 58.100 0.049 0.000 1.285 268 Y CB 0.283 38.789 38.460 0.077 0.000 1.166 268 Y HN -0.138 nan 8.280 nan 0.000 0.525 269 S N 1.318 117.133 115.700 0.193 0.000 2.546 269 S HA 0.098 4.571 4.470 0.005 0.000 0.290 269 S C 1.060 175.713 174.600 0.088 0.000 1.262 269 S CA -0.111 58.179 58.200 0.151 0.000 1.083 269 S CB 0.444 63.735 63.200 0.151 0.000 0.859 269 S HN 0.266 nan 8.310 nan 0.000 0.495 270 V N 2.938 122.901 119.914 0.082 0.000 3.514 270 V HA 0.390 4.513 4.120 0.005 0.000 0.301 270 V C 0.674 176.789 176.094 0.035 0.000 1.346 270 V CA -0.277 62.054 62.300 0.052 0.000 1.156 270 V CB -0.248 31.605 31.823 0.049 0.000 1.029 270 V HN 0.568 nan 8.190 nan 0.000 0.428 271 S N 1.530 117.253 115.700 0.037 0.000 2.565 271 S HA 0.628 5.101 4.470 0.005 0.000 0.290 271 S C -2.467 172.132 174.600 -0.002 0.000 1.150 271 S CA -0.838 57.371 58.200 0.016 0.000 1.058 271 S CB 1.461 64.673 63.200 0.019 0.000 1.032 271 S HN 0.310 nan 8.310 nan 0.000 0.510 272 P HA 0.230 nan 4.420 nan 0.000 0.268 272 P C -1.139 176.138 177.300 -0.038 0.000 1.204 272 P CA 0.156 63.248 63.100 -0.013 0.000 0.768 272 P CB 0.360 32.055 31.700 -0.009 0.000 0.842 273 L N 4.832 126.033 121.223 -0.037 0.000 2.323 273 L HA 0.538 4.881 4.340 0.005 0.000 0.265 273 L C -2.052 174.838 176.870 0.033 0.000 1.012 273 L CA -2.410 52.383 54.840 -0.079 0.000 0.820 273 L CB 1.211 43.099 42.059 -0.285 0.000 1.334 273 L HN 0.199 nan 8.230 nan 0.000 0.427 274 P HA 0.118 nan 4.420 nan 0.000 0.264 274 P C -0.714 176.674 177.300 0.145 0.000 1.193 274 P CA -0.196 62.953 63.100 0.082 0.000 0.763 274 P CB 0.619 32.360 31.700 0.069 0.000 0.810 275 A N 4.571 127.435 122.820 0.074 0.000 2.488 275 A HA 0.470 4.793 4.320 0.005 0.000 0.249 275 A C -0.013 177.570 177.584 -0.001 0.000 1.083 275 A CA 0.244 52.310 52.037 0.048 0.000 0.768 275 A CB -0.271 18.741 19.000 0.020 0.000 1.017 275 A HN 0.437 nan 8.150 nan 0.000 0.496 276 M N 1.819 121.382 119.600 -0.061 0.000 2.446 276 M HA 0.171 4.654 4.480 0.005 0.000 0.294 276 M C 0.260 176.467 176.300 -0.155 0.000 1.158 276 M CA -0.511 54.698 55.300 -0.151 0.000 0.899 276 M CB 1.797 34.237 32.600 -0.266 0.000 1.687 276 M HN 0.934 nan 8.290 nan 0.000 0.455 277 D N 1.150 121.459 120.400 -0.151 0.000 2.117 277 D HA -0.075 4.568 4.640 0.005 0.000 0.198 277 D C 0.153 176.445 176.300 -0.012 0.000 0.982 277 D CA 1.845 55.820 54.000 -0.042 0.000 0.828 277 D CB 0.510 41.353 40.800 0.073 0.000 0.967 277 D HN 0.672 nan 8.370 nan 0.000 0.464 278 H N -2.469 116.531 119.070 -0.117 0.000 3.014 278 H HA 0.428 4.987 4.556 0.005 0.000 0.337 278 H C -1.325 173.906 175.328 -0.163 0.000 1.320 278 H CA -1.069 54.897 56.048 -0.137 0.000 1.128 278 H CB 0.216 29.920 29.762 -0.097 0.000 1.862 278 H HN -0.040 nan 8.280 nan 0.000 0.536 279 L N 1.626 122.795 121.223 -0.089 0.000 2.354 279 L HA 0.489 4.832 4.340 0.005 0.000 0.269 279 L C -0.169 176.714 176.870 0.021 0.000 1.005 279 L CA -1.071 53.695 54.840 -0.122 0.000 0.819 279 L CB 2.368 44.301 42.059 -0.209 0.000 1.311 279 L HN 0.460 nan 8.230 nan 0.000 0.423 280 I N 3.166 123.756 120.570 0.033 0.000 2.307 280 I HA 0.140 4.313 4.170 0.005 0.000 0.289 280 I C 0.984 177.124 176.117 0.038 0.000 1.021 280 I CA -0.234 61.097 61.300 0.052 0.000 1.224 280 I CB 1.328 39.363 38.000 0.059 0.000 1.376 280 I HN 0.600 nan 8.210 nan 0.000 0.470 281 L N 6.013 127.259 121.223 0.037 0.000 2.240 281 L HA 0.216 4.559 4.340 0.005 0.000 0.211 281 L C 0.943 177.856 176.870 0.072 0.000 1.106 281 L CA 0.467 55.352 54.840 0.076 0.000 0.793 281 L CB -0.250 41.865 42.059 0.094 0.000 0.927 281 L HN 0.775 nan 8.230 nan 0.000 0.446 282 A N -0.191 122.653 122.820 0.040 0.000 2.522 282 A HA 0.515 4.838 4.320 0.005 0.000 0.291 282 A C -1.987 175.598 177.584 0.002 0.000 1.039 282 A CA -0.637 51.412 52.037 0.019 0.000 0.643 282 A CB 1.023 20.036 19.000 0.022 0.000 1.310 282 A HN 0.143 nan 8.150 nan 0.000 0.436 283 D N -1.080 119.312 120.400 -0.014 0.000 2.583 283 D HA 0.674 5.317 4.640 0.005 0.000 0.248 283 D C -1.282 174.996 176.300 -0.037 0.000 1.209 283 D CA -0.411 53.572 54.000 -0.028 0.000 0.848 283 D CB 1.442 42.226 40.800 -0.027 0.000 1.431 283 D HN 1.074 nan 8.370 nan 0.000 0.436 284 L N 0.358 121.547 121.223 -0.058 0.000 2.438 284 L HA 0.854 5.197 4.340 0.005 0.000 0.270 284 L C -1.508 175.301 176.870 -0.101 0.000 0.972 284 L CA -0.400 54.400 54.840 -0.067 0.000 0.831 284 L CB 1.577 43.594 42.059 -0.071 0.000 1.273 284 L HN 0.873 nan 8.230 nan 0.000 0.405 285 A N 2.887 125.659 122.820 -0.080 0.000 2.356 285 A HA 0.828 5.151 4.320 0.005 0.000 0.323 285 A C 0.702 178.235 177.584 -0.084 0.000 1.119 285 A CA 0.083 52.068 52.037 -0.087 0.000 0.790 285 A CB 1.343 20.310 19.000 -0.055 0.000 1.273 285 A HN 1.931 nan 8.150 nan 0.000 0.452 286 G N -0.162 108.585 108.800 -0.088 0.000 2.143 286 G HA2 -0.153 3.810 3.960 0.005 0.000 0.175 286 G HA3 -0.153 3.810 3.960 0.005 0.000 0.175 286 G C 0.567 175.419 174.900 -0.081 0.000 1.004 286 G CA 0.188 45.251 45.100 -0.062 0.000 0.671 286 G HN 0.742 nan 8.290 nan 0.000 0.512 287 L N 0.210 121.323 121.223 -0.184 0.000 2.353 287 L HA 0.005 4.348 4.340 0.005 0.000 0.220 287 L C 2.315 179.236 176.870 0.085 0.000 1.133 287 L CA 1.267 55.926 54.840 -0.300 0.000 0.798 287 L CB -0.311 41.210 42.059 -0.895 0.000 0.922 287 L HN 0.123 nan 8.230 nan 0.000 0.445 288 D N -0.063 120.388 120.400 0.086 0.000 2.178 288 D HA -0.139 4.504 4.640 0.005 0.000 0.201 288 D C 2.104 178.496 176.300 0.153 0.000 0.980 288 D CA 1.780 55.876 54.000 0.162 0.000 0.842 288 D CB 0.079 40.930 40.800 0.086 0.000 0.948 288 D HN 0.406 nan 8.370 nan 0.000 0.472 289 S N -0.507 115.258 115.700 0.108 0.000 2.554 289 S HA 0.132 4.605 4.470 0.005 0.000 0.226 289 S C 0.451 175.119 174.600 0.114 0.000 0.980 289 S CA -0.593 57.661 58.200 0.090 0.000 0.939 289 S CB 0.184 63.413 63.200 0.048 0.000 0.832 289 S HN -0.004 nan 8.310 nan 0.000 0.486 290 L N 3.845 125.180 121.223 0.186 0.000 2.281 290 L HA 0.453 4.796 4.340 0.005 0.000 0.285 290 L C 0.909 177.947 176.870 0.280 0.000 1.074 290 L CA 0.454 55.425 54.840 0.218 0.000 0.817 290 L CB 1.052 43.225 42.059 0.190 0.000 1.168 290 L HN 0.355 nan 8.230 nan 0.000 0.434 291 T N -0.405 114.242 114.554 0.155 0.000 3.223 291 T HA 0.353 4.706 4.350 0.005 0.000 0.259 291 T C 0.287 175.027 174.700 0.067 0.000 1.015 291 T CA 0.191 62.341 62.100 0.084 0.000 0.908 291 T CB -0.506 68.387 68.868 0.041 0.000 1.054 291 T HN 0.638 nan 8.240 nan 0.000 0.567 292 S N 0.285 116.067 115.700 0.137 0.000 2.607 292 S HA 0.740 5.213 4.470 0.005 0.000 0.273 292 S C -3.364 171.354 174.600 0.197 0.000 1.148 292 S CA -1.517 56.751 58.200 0.113 0.000 0.833 292 S CB 1.774 65.035 63.200 0.102 0.000 1.130 292 S HN 0.081 nan 8.310 nan 0.000 0.470 293 P HA 0.358 nan 4.420 nan 0.000 0.272 293 P C -0.888 176.478 177.300 0.109 0.000 1.240 293 P CA -0.416 62.759 63.100 0.124 0.000 0.791 293 P CB 0.528 32.184 31.700 -0.073 0.000 0.978 294 V N 2.183 122.118 119.914 0.034 0.000 2.459 294 V HA 0.310 4.433 4.120 0.005 0.000 0.295 294 V C -0.434 175.628 176.094 -0.054 0.000 1.029 294 V CA -0.372 61.948 62.300 0.032 0.000 0.874 294 V CB 0.663 32.468 31.823 -0.029 0.000 0.985 294 V HN 0.416 nan 8.190 nan 0.000 0.438 295 Y N 2.608 122.977 120.300 0.114 0.000 2.429 295 Y HA 0.729 5.282 4.550 0.005 0.000 0.342 295 Y C -0.090 175.821 175.900 0.018 0.000 1.004 295 Y CA -0.841 57.321 58.100 0.103 0.000 1.075 295 Y CB 2.300 40.903 38.460 0.239 0.000 1.214 295 Y HN 0.349 nan 8.280 nan 0.000 0.455 296 V N 4.832 124.813 119.914 0.112 0.000 2.577 296 V HA 0.430 4.553 4.120 0.005 0.000 0.303 296 V C -0.677 175.378 176.094 -0.064 0.000 1.042 296 V CA -0.898 61.415 62.300 0.021 0.000 0.872 296 V CB 1.832 33.666 31.823 0.018 0.000 0.998 296 V HN 0.821 nan 8.190 nan 0.000 0.423 297 M N 4.469 123.997 119.600 -0.120 0.000 2.321 297 M HA 0.869 5.352 4.480 0.005 0.000 0.315 297 M C -0.540 175.731 176.300 -0.050 0.000 1.052 297 M CA -0.406 54.795 55.300 -0.165 0.000 0.936 297 M CB 1.739 34.118 32.600 -0.369 0.000 1.639 297 M HN 0.761 nan 8.290 nan 0.000 0.433 298 A N 3.572 126.396 122.820 0.007 0.000 2.324 298 A HA 0.927 5.250 4.320 0.005 0.000 0.330 298 A C -1.042 176.577 177.584 0.057 0.000 1.165 298 A CA -0.668 51.401 52.037 0.052 0.000 0.813 298 A CB 1.190 20.213 19.000 0.037 0.000 1.197 298 A HN 0.968 nan 8.150 nan 0.000 0.484 299 A N 1.715 124.521 122.820 -0.024 0.000 2.304 299 A HA 0.774 5.097 4.320 0.005 0.000 0.314 299 A C -0.865 176.654 177.584 -0.107 0.000 1.187 299 A CA -0.454 51.398 52.037 -0.308 0.000 0.810 299 A CB 0.260 19.015 19.000 -0.409 0.000 1.183 299 A HN 1.774 nan 8.150 nan 0.000 0.487 300 Y N -0.083 120.027 120.300 -0.316 0.000 2.609 300 Y HA 0.810 5.363 4.550 0.006 0.000 0.336 300 Y C -1.556 174.215 175.900 -0.214 0.000 1.129 300 Y CA -2.375 55.575 58.100 -0.250 0.000 1.040 300 Y CB 0.589 38.995 38.460 -0.090 0.000 1.310 300 Y HN 0.394 nan 8.280 nan 0.000 0.460 301 F N 1.679 121.680 119.950 0.085 0.000 2.379 301 F HA 0.313 4.842 4.527 0.003 0.000 0.332 301 F C 0.709 176.623 175.800 0.189 0.000 1.096 301 F CA -0.400 57.641 58.000 0.069 0.000 1.105 301 F CB 0.702 39.731 39.000 0.047 0.000 1.189 301 F HN 0.575 nan 8.300 nan 0.000 0.515 302 D N 0.540 121.185 120.400 0.408 0.000 2.399 302 D HA -0.036 4.607 4.640 0.005 0.000 0.241 302 D C 1.123 177.541 176.300 0.196 0.000 1.133 302 D CA 0.334 54.479 54.000 0.241 0.000 0.890 302 D CB 1.563 42.469 40.800 0.177 0.000 1.201 302 D HN 0.560 nan 8.370 nan 0.000 0.432 303 S N 1.694 117.475 115.700 0.135 0.000 2.368 303 S HA -0.109 4.364 4.470 0.005 0.000 0.224 303 S C 0.776 175.424 174.600 0.080 0.000 1.029 303 S CA 1.231 59.489 58.200 0.096 0.000 0.988 303 S CB -0.371 62.865 63.200 0.060 0.000 0.838 303 S HN 0.733 nan 8.310 nan 0.000 0.462 304 T N 1.847 116.437 114.554 0.059 0.000 2.897 304 T HA -0.034 4.319 4.350 0.005 0.000 0.304 304 T C 0.132 174.867 174.700 0.058 0.000 1.051 304 T CA 0.465 62.587 62.100 0.036 0.000 1.132 304 T CB -0.368 68.498 68.868 -0.002 0.000 1.066 304 T HN 0.703 nan 8.240 nan 0.000 0.518 305 H N 1.283 120.364 119.070 0.019 0.000 2.603 305 H HA 0.509 5.069 4.556 0.007 0.000 0.370 305 H C 0.203 175.534 175.328 0.007 0.000 1.225 305 H CA -0.667 55.387 56.048 0.010 0.000 1.410 305 H CB 0.656 30.422 29.762 0.006 0.000 1.495 305 H HN 0.697 nan 8.280 nan 0.000 0.602 306 E N 0.828 121.205 120.200 0.294 0.000 2.405 306 E HA 0.174 4.527 4.350 0.005 0.000 0.249 306 E C -0.407 176.309 176.600 0.193 0.000 1.028 306 E CA -1.185 55.289 56.400 0.123 0.000 0.897 306 E CB 0.702 30.445 29.700 0.070 0.000 1.262 306 E HN 0.657 nan 8.360 nan 0.000 0.442 307 N N 1.355 120.097 118.700 0.070 0.000 2.501 307 N HA 0.186 4.929 4.740 0.005 0.000 0.245 307 N C -2.155 173.382 175.510 0.046 0.000 0.974 307 N CA -2.034 51.058 53.050 0.070 0.000 0.941 307 N CB 1.283 39.785 38.487 0.024 0.000 1.122 307 N HN -0.045 nan 8.380 nan 0.000 0.507 308 P HA -0.185 nan 4.420 nan 0.000 0.218 308 P C 1.329 178.634 177.300 0.008 0.000 1.152 308 P CA 0.959 64.072 63.100 0.021 0.000 0.857 308 P CB 0.492 32.201 31.700 0.015 0.000 0.787 309 V N -1.394 118.526 119.914 0.010 0.000 2.759 309 V HA -0.118 4.005 4.120 0.005 0.000 0.256 309 V C 1.537 177.629 176.094 -0.004 0.000 1.080 309 V CA 1.264 63.566 62.300 0.003 0.000 1.101 309 V CB -0.806 31.020 31.823 0.005 0.000 0.698 309 V HN 0.098 nan 8.190 nan 0.000 0.477 310 R N 0.285 120.783 120.500 -0.004 0.000 2.687 310 R HA 0.263 4.606 4.340 0.005 0.000 0.264 310 R C -2.927 173.361 176.300 -0.021 0.000 1.715 310 R CA -1.486 54.606 56.100 -0.013 0.000 1.633 310 R CB 1.243 31.536 30.300 -0.012 0.000 1.353 310 R HN 0.197 nan 8.270 nan 0.000 0.653 311 P HA -0.051 nan 4.420 nan 0.000 0.259 311 P C -0.574 176.685 177.300 -0.069 0.000 1.211 311 P CA 0.407 63.476 63.100 -0.051 0.000 0.810 311 P CB 1.078 32.737 31.700 -0.069 0.000 0.815 312 S N 3.103 118.769 115.700 -0.057 0.000 2.423 312 S HA 0.180 4.653 4.470 0.005 0.000 0.302 312 S C 0.560 175.117 174.600 -0.072 0.000 1.143 312 S CA -0.503 57.668 58.200 -0.049 0.000 1.080 312 S CB -0.645 62.543 63.200 -0.021 0.000 1.081 312 S HN 0.346 nan 8.310 nan 0.000 0.522 313 S N 4.478 120.122 115.700 -0.093 0.000 3.548 313 S HA 0.299 4.772 4.470 0.005 0.000 0.195 313 S C -0.167 174.492 174.600 0.098 0.000 1.432 313 S CA -0.782 57.348 58.200 -0.116 0.000 1.087 313 S CB -0.161 62.900 63.200 -0.232 0.000 1.337 313 S HN 0.748 nan 8.310 nan 0.000 0.505 314 K N 2.145 122.589 120.400 0.075 0.000 2.285 314 K HA 0.329 4.652 4.320 0.005 0.000 0.286 314 K C -0.650 175.844 176.600 -0.177 0.000 1.072 314 K CA -0.810 55.424 56.287 -0.088 0.000 0.913 314 K CB 0.439 32.819 32.500 -0.201 0.000 1.067 314 K HN 0.465 nan 8.250 nan 0.000 0.479 315 L N 5.762 126.816 121.223 -0.282 0.000 2.305 315 L HA 0.301 4.644 4.340 0.005 0.000 0.281 315 L C -1.371 175.104 176.870 -0.658 0.000 1.085 315 L CA 0.104 54.647 54.840 -0.494 0.000 0.813 315 L CB 0.281 42.069 42.059 -0.453 0.000 1.157 315 L HN 0.544 nan 8.230 nan 0.000 0.436 316 Y N 3.052 123.009 120.300 -0.572 0.000 2.567 316 Y HA 0.584 5.135 4.550 0.003 0.000 0.333 316 Y C -0.437 175.144 175.900 -0.531 0.000 1.106 316 Y CA -0.490 57.294 58.100 -0.527 0.000 1.157 316 Y CB 1.482 39.467 38.460 -0.792 0.000 1.277 316 Y HN 0.567 nan 8.280 nan 0.000 0.490 317 H N -0.341 118.759 119.070 0.051 0.000 2.771 317 H HA 0.637 5.195 4.556 0.004 0.000 0.361 317 H C -1.348 174.105 175.328 0.208 0.000 1.108 317 H CA -0.997 55.130 56.048 0.131 0.000 1.201 317 H CB 1.362 31.213 29.762 0.148 0.000 1.681 317 H HN 0.828 nan 8.280 nan 0.000 0.534 318 c N 1.618 120.398 118.600 0.300 0.000 2.783 318 c HA 0.973 5.546 4.570 0.005 0.000 0.312 318 c C -0.441 173.689 174.090 0.066 0.000 1.182 318 c CA -0.939 55.512 56.329 0.203 0.000 1.432 318 c CB 0.527 43.157 42.510 0.200 0.000 1.933 318 c HN 0.968 nan 8.230 nan 0.000 0.473 319 A N 3.446 126.283 122.820 0.029 0.000 2.343 319 A HA 0.803 5.126 4.320 0.005 0.000 0.308 319 A C -0.818 176.810 177.584 0.073 0.000 1.092 319 A CA -0.471 51.516 52.037 -0.084 0.000 0.751 319 A CB 0.639 19.361 19.000 -0.464 0.000 1.203 319 A HN 0.984 nan 8.150 nan 0.000 0.452 320 L N 1.234 122.490 121.223 0.054 0.000 2.375 320 L HA 0.601 4.944 4.340 0.005 0.000 0.268 320 L C 0.317 177.221 176.870 0.057 0.000 1.058 320 L CA -0.518 54.359 54.840 0.063 0.000 0.803 320 L CB 1.626 43.696 42.059 0.018 0.000 1.212 320 L HN 0.833 nan 8.230 nan 0.000 0.451 321 Q N 2.195 121.984 119.800 -0.018 0.000 2.304 321 Q HA 0.448 4.791 4.340 0.005 0.000 0.270 321 Q C -1.433 174.504 176.000 -0.105 0.000 1.035 321 Q CA -0.788 54.882 55.803 -0.221 0.000 0.781 321 Q CB 2.310 30.863 28.738 -0.308 0.000 1.261 321 Q HN 0.534 nan 8.270 nan 0.000 0.444 322 M N 2.763 122.311 119.600 -0.087 0.000 2.129 322 M HA 0.437 4.920 4.480 0.005 0.000 0.348 322 M C -1.389 175.020 176.300 0.183 0.000 1.116 322 M CA 0.338 55.679 55.300 0.069 0.000 1.022 322 M CB 1.711 34.338 32.600 0.045 0.000 1.599 322 M HN 0.526 nan 8.290 nan 0.000 0.449 323 T N 2.218 116.853 114.554 0.135 0.000 2.906 323 T HA 0.487 4.840 4.350 0.005 0.000 0.295 323 T C -1.081 173.266 174.700 -0.588 0.000 1.061 323 T CA -0.787 61.221 62.100 -0.152 0.000 1.000 323 T CB 1.735 70.416 68.868 -0.312 0.000 1.103 323 T HN 0.578 nan 8.240 nan 0.000 0.486 324 S N 2.076 117.085 115.700 -1.152 0.000 2.438 324 S HA 0.359 4.832 4.470 0.005 0.000 0.293 324 S C -0.963 173.103 174.600 -0.890 0.000 1.141 324 S CA -0.659 56.720 58.200 -1.368 0.000 1.080 324 S CB -0.050 62.071 63.200 -1.799 0.000 0.978 324 S HN 0.634 nan 8.310 nan 0.000 0.479 325 H N 3.555 122.413 119.070 -0.354 0.000 2.646 325 H HA 0.274 4.833 4.556 0.005 0.000 0.328 325 H C -0.244 174.975 175.328 -0.181 0.000 0.998 325 H CA -0.322 55.602 56.048 -0.207 0.000 1.225 325 H CB 1.096 30.780 29.762 -0.131 0.000 1.457 325 H HN 0.754 nan 8.280 nan 0.000 0.505 326 D N 2.903 123.272 120.400 -0.052 0.000 2.737 326 D HA -0.196 4.447 4.640 0.005 0.000 0.233 326 D C 1.349 177.597 176.300 -0.087 0.000 1.155 326 D CA 1.626 55.592 54.000 -0.057 0.000 0.667 326 D CB -0.898 39.890 40.800 -0.021 0.000 1.060 326 D HN 1.152 nan 8.370 nan 0.000 0.427 327 G N -2.285 106.412 108.800 -0.172 0.000 2.217 327 G HA2 -0.326 3.637 3.960 0.005 0.000 0.246 327 G HA3 -0.326 3.637 3.960 0.005 0.000 0.246 327 G C 0.379 175.169 174.900 -0.183 0.000 0.990 327 G CA 0.215 45.211 45.100 -0.172 0.000 0.627 327 G HN 0.544 nan 8.290 nan 0.000 0.522 328 V N 0.555 120.373 119.914 -0.160 0.000 2.439 328 V HA 0.599 4.722 4.120 0.005 0.000 0.282 328 V C 0.042 176.056 176.094 -0.133 0.000 1.039 328 V CA -0.576 61.686 62.300 -0.062 0.000 0.913 328 V CB 0.998 32.831 31.823 0.017 0.000 0.983 328 V HN 0.276 nan 8.190 nan 0.000 0.460 329 W N 3.607 124.898 121.300 -0.014 0.000 2.316 329 W HA 0.589 5.251 4.660 0.004 0.000 0.308 329 W C 0.580 177.095 176.519 -0.006 0.000 1.106 329 W CA -0.292 57.029 57.345 -0.040 0.000 1.262 329 W CB 1.497 30.930 29.460 -0.046 0.000 1.233 329 W HN 0.670 nan 8.180 nan 0.000 0.447 330 T N -0.379 114.305 114.554 0.216 0.000 2.916 330 T HA 0.800 5.153 4.350 0.005 0.000 0.292 330 T C -0.116 174.671 174.700 0.145 0.000 1.055 330 T CA -0.991 61.211 62.100 0.170 0.000 1.009 330 T CB 1.647 70.618 68.868 0.172 0.000 1.118 330 T HN 0.292 nan 8.240 nan 0.000 0.497 331 S N 0.295 116.053 115.700 0.096 0.000 2.600 331 S HA 0.767 5.240 4.470 0.005 0.000 0.300 331 S C 0.248 174.880 174.600 0.054 0.000 1.087 331 S CA -0.643 57.596 58.200 0.065 0.000 0.965 331 S CB 1.175 64.396 63.200 0.034 0.000 1.089 331 S HN 1.194 nan 8.310 nan 0.000 0.496 332 T N -0.048 114.534 114.554 0.046 0.000 2.788 332 T HA 0.664 5.017 4.350 0.005 0.000 0.287 332 T C 0.311 175.029 174.700 0.031 0.000 1.007 332 T CA -0.350 61.779 62.100 0.047 0.000 1.005 332 T CB 0.492 69.397 68.868 0.063 0.000 1.012 332 T HN 1.276 nan 8.240 nan 0.000 0.530 333 S N -0.605 115.111 115.700 0.027 0.000 2.627 333 S HA 0.761 5.234 4.470 0.005 0.000 0.283 333 S C -0.805 173.804 174.600 0.014 0.000 1.127 333 S CA -0.943 57.264 58.200 0.011 0.000 0.863 333 S CB 1.826 65.028 63.200 0.002 0.000 1.121 333 S HN 1.079 nan 8.310 nan 0.000 0.479 334 S N -0.521 115.179 115.700 -0.000 0.000 2.603 334 S HA 0.331 4.804 4.470 0.005 0.000 0.274 334 S C 0.080 174.668 174.600 -0.019 0.000 1.168 334 S CA -0.609 57.592 58.200 0.002 0.000 0.963 334 S CB 1.445 64.653 63.200 0.014 0.000 1.078 334 S HN 0.761 nan 8.310 nan 0.000 0.477 335 E N 1.990 122.182 120.200 -0.014 0.000 2.204 335 E HA -0.098 4.255 4.350 0.005 0.000 0.194 335 E C 1.133 177.708 176.600 -0.041 0.000 0.989 335 E CA 0.778 57.163 56.400 -0.026 0.000 0.824 335 E CB 0.134 29.824 29.700 -0.016 0.000 0.756 335 E HN 0.546 nan 8.360 nan 0.000 0.477 336 Q N -0.363 119.419 119.800 -0.032 0.000 2.376 336 Q HA 0.034 4.377 4.340 0.005 0.000 0.206 336 Q C 0.727 176.665 176.000 -0.104 0.000 0.921 336 Q CA 0.142 55.922 55.803 -0.039 0.000 0.911 336 Q CB 0.038 28.779 28.738 0.004 0.000 1.032 336 Q HN 0.156 nan 8.270 nan 0.000 0.510 337 c N 4.216 122.751 118.600 -0.109 0.000 2.576 337 c HA 0.156 4.729 4.570 0.005 0.000 0.401 337 c C -0.615 173.295 174.090 -0.300 0.000 1.314 337 c CA -1.487 54.715 56.329 -0.212 0.000 1.855 337 c CB 0.424 42.881 42.510 -0.088 0.000 2.537 337 c HN 0.310 nan 8.230 nan 0.000 0.578 338 P HA -0.082 nan 4.420 nan 0.000 0.218 338 P C 0.455 177.616 177.300 -0.232 0.000 1.149 338 P CA 1.322 64.188 63.100 -0.390 0.000 0.817 338 P CB -0.092 31.285 31.700 -0.539 0.000 0.785 339 I N -1.721 118.730 120.570 -0.198 0.000 2.934 339 I HA 0.553 4.726 4.170 0.005 0.000 0.315 339 I C 0.121 176.183 176.117 -0.092 0.000 0.997 339 I CA -1.399 59.829 61.300 -0.119 0.000 1.184 339 I CB 1.195 39.146 38.000 -0.082 0.000 1.400 339 I HN -0.159 nan 8.210 nan 0.000 0.549 340 R N 3.168 123.626 120.500 -0.070 0.000 2.643 340 R HA 0.663 5.006 4.340 0.005 0.000 0.269 340 R C -2.210 174.059 176.300 -0.051 0.000 1.037 340 R CA -1.001 55.063 56.100 -0.059 0.000 0.894 340 R CB 1.337 31.596 30.300 -0.068 0.000 1.238 340 R HN 0.726 nan 8.270 nan 0.000 0.459 341 L N 2.497 123.696 121.223 -0.039 0.000 2.322 341 L HA 0.762 5.105 4.340 0.005 0.000 0.281 341 L C -0.171 176.675 176.870 -0.040 0.000 1.014 341 L CA -1.196 53.621 54.840 -0.038 0.000 0.815 341 L CB 1.871 43.914 42.059 -0.026 0.000 1.247 341 L HN 0.647 nan 8.230 nan 0.000 0.421 342 V N -0.551 119.332 119.914 -0.052 0.000 3.114 342 V HA 0.524 4.647 4.120 0.005 0.000 0.308 342 V C -0.541 175.523 176.094 -0.050 0.000 1.168 342 V CA -1.032 61.237 62.300 -0.050 0.000 1.015 342 V CB 1.926 33.699 31.823 -0.082 0.000 1.050 342 V HN 0.855 nan 8.190 nan 0.000 0.433 343 E N 2.146 122.326 120.200 -0.032 0.000 2.404 343 E HA 0.520 4.873 4.350 0.005 0.000 0.261 343 E C 0.622 177.196 176.600 -0.044 0.000 1.074 343 E CA 0.014 56.393 56.400 -0.035 0.000 0.917 343 E CB 0.870 30.569 29.700 -0.001 0.000 0.965 343 E HN 1.065 nan 8.360 nan 0.000 0.433 344 G N 1.219 109.990 108.800 -0.049 0.000 2.873 344 G HA2 -0.105 3.858 3.960 0.005 0.000 0.170 344 G HA3 -0.105 3.858 3.960 0.005 0.000 0.170 344 G C 0.553 175.439 174.900 -0.022 0.000 1.608 344 G CA -0.336 44.742 45.100 -0.037 0.000 1.084 344 G HN 0.661 nan 8.290 nan 0.000 0.563 345 Q N -0.610 119.181 119.800 -0.015 0.000 2.436 345 Q HA 0.136 4.479 4.340 0.005 0.000 0.209 345 Q C 0.908 176.905 176.000 -0.005 0.000 0.965 345 Q CA 0.840 56.639 55.803 -0.006 0.000 0.910 345 Q CB 0.126 28.862 28.738 -0.003 0.000 0.980 345 Q HN 0.420 nan 8.270 nan 0.000 0.491 346 S N -2.007 113.687 115.700 -0.010 0.000 2.625 346 S HA 0.197 4.670 4.470 0.005 0.000 0.271 346 S C 0.074 174.671 174.600 -0.006 0.000 1.161 346 S CA -0.911 57.288 58.200 -0.001 0.000 0.820 346 S CB 1.460 64.660 63.200 -0.001 0.000 1.137 346 S HN -0.077 nan 8.310 nan 0.000 0.470 347 Q N 0.535 120.347 119.800 0.020 0.000 2.515 347 Q HA 0.046 4.389 4.340 0.005 0.000 0.212 347 Q C 0.759 176.752 176.000 -0.013 0.000 0.970 347 Q CA 0.565 56.394 55.803 0.044 0.000 0.941 347 Q CB -0.516 28.297 28.738 0.125 0.000 0.998 347 Q HN 0.739 nan 8.270 nan 0.000 0.518 348 N N -0.533 118.144 118.700 -0.037 0.000 2.336 348 N HA -0.004 4.739 4.740 0.005 0.000 0.189 348 N C -0.691 174.734 175.510 -0.143 0.000 1.113 348 N CA 0.101 53.104 53.050 -0.078 0.000 0.858 348 N CB 0.689 39.158 38.487 -0.031 0.000 0.970 348 N HN -0.177 nan 8.380 nan 0.000 0.471 349 V N 1.504 121.336 119.914 -0.138 0.000 2.709 349 V HA 0.468 4.591 4.120 0.005 0.000 0.308 349 V C -0.828 175.173 176.094 -0.155 0.000 1.062 349 V CA -1.149 61.068 62.300 -0.139 0.000 0.901 349 V CB 1.753 33.528 31.823 -0.080 0.000 1.003 349 V HN 0.104 nan 8.190 nan 0.000 0.425 350 L N 2.569 123.691 121.223 -0.168 0.000 2.342 350 L HA 0.842 5.185 4.340 0.005 0.000 0.271 350 L C -0.630 176.186 176.870 -0.090 0.000 1.008 350 L CA -0.295 54.459 54.840 -0.143 0.000 0.818 350 L CB 1.910 43.854 42.059 -0.192 0.000 1.296 350 L HN 0.678 nan 8.230 nan 0.000 0.427 351 Q N 1.769 121.528 119.800 -0.068 0.000 2.365 351 Q HA 0.697 5.040 4.340 0.005 0.000 0.269 351 Q C -1.403 174.573 176.000 -0.040 0.000 1.061 351 Q CA -1.036 54.739 55.803 -0.045 0.000 0.816 351 Q CB 2.988 31.703 28.738 -0.039 0.000 1.325 351 Q HN 0.656 nan 8.270 nan 0.000 0.446 352 V N 3.316 123.217 119.914 -0.021 0.000 2.364 352 V HA 0.399 4.522 4.120 0.005 0.000 0.272 352 V C 0.011 176.096 176.094 -0.015 0.000 1.036 352 V CA -0.294 61.997 62.300 -0.016 0.000 0.880 352 V CB 0.737 32.564 31.823 0.006 0.000 0.991 352 V HN 0.627 nan 8.190 nan 0.000 0.460 353 R N 2.898 123.377 120.500 -0.035 0.000 2.828 353 R HA 0.914 5.257 4.340 0.005 0.000 0.264 353 R C -1.306 174.965 176.300 -0.049 0.000 1.022 353 R CA -0.803 55.279 56.100 -0.031 0.000 1.021 353 R CB 2.488 32.743 30.300 -0.074 0.000 1.163 353 R HN 0.466 nan 8.270 nan 0.000 0.494 354 V N -0.002 119.886 119.914 -0.045 0.000 3.167 354 V HA 0.570 4.693 4.120 0.005 0.000 0.293 354 V C -1.482 174.563 176.094 -0.081 0.000 1.379 354 V CA -0.642 61.608 62.300 -0.084 0.000 1.019 354 V CB 2.190 33.941 31.823 -0.120 0.000 1.115 354 V HN 0.940 nan 8.190 nan 0.000 0.442 355 A N 5.970 128.732 122.820 -0.096 0.000 2.366 355 A HA 0.689 5.012 4.320 0.005 0.000 0.272 355 A C -1.700 175.795 177.584 -0.148 0.000 1.135 355 A CA -1.026 50.952 52.037 -0.098 0.000 0.804 355 A CB 0.535 19.488 19.000 -0.079 0.000 1.064 355 A HN 0.763 nan 8.150 nan 0.000 0.499 356 P HA -0.232 nan 4.420 nan 0.000 0.219 356 P C 1.583 178.811 177.300 -0.121 0.000 1.158 356 P CA 2.303 65.219 63.100 -0.306 0.000 0.895 356 P CB 0.127 31.586 31.700 -0.402 0.000 0.792 357 T N -2.214 112.296 114.554 -0.073 0.000 3.155 357 T HA -0.033 4.320 4.350 0.005 0.000 0.264 357 T C 1.609 176.285 174.700 -0.041 0.000 1.160 357 T CA 1.200 63.283 62.100 -0.028 0.000 1.075 357 T CB -0.804 68.052 68.868 -0.019 0.000 0.921 357 T HN -0.003 nan 8.240 nan 0.000 0.533 358 S N 0.415 116.070 115.700 -0.076 0.000 2.503 358 S HA 0.152 4.625 4.470 0.005 0.000 0.217 358 S C 1.894 176.437 174.600 -0.096 0.000 0.999 358 S CA -0.049 58.100 58.200 -0.085 0.000 0.914 358 S CB -0.070 63.054 63.200 -0.126 0.000 0.782 358 S HN 0.375 nan 8.310 nan 0.000 0.520 359 M N 1.530 121.058 119.600 -0.120 0.000 2.073 359 M HA -0.051 4.432 4.480 0.005 0.000 0.258 359 M C -0.917 175.292 176.300 -0.153 0.000 1.070 359 M CA 1.516 56.709 55.300 -0.178 0.000 1.103 359 M CB -2.869 29.637 32.600 -0.157 0.000 1.321 359 M HN 0.059 nan 8.290 nan 0.000 0.405 360 P HA -0.146 nan 4.420 nan 0.000 0.217 360 P C 0.846 178.149 177.300 0.006 0.000 1.148 360 P CA 1.311 64.356 63.100 -0.093 0.000 0.834 360 P CB -0.122 31.551 31.700 -0.045 0.000 0.783 361 N N -1.656 117.082 118.700 0.064 0.000 2.280 361 N HA 0.064 4.807 4.740 0.005 0.000 0.192 361 N C 0.149 175.770 175.510 0.185 0.000 1.109 361 N CA -0.051 53.126 53.050 0.212 0.000 0.855 361 N CB -0.088 38.547 38.487 0.246 0.000 0.974 361 N HN 0.141 nan 8.380 nan 0.000 0.482 362 L N 1.261 122.517 121.223 0.054 0.000 2.281 362 L HA 0.192 4.535 4.340 0.005 0.000 0.285 362 L C 1.015 177.953 176.870 0.114 0.000 1.074 362 L CA 0.078 54.934 54.840 0.028 0.000 0.817 362 L CB 1.246 43.216 42.059 -0.148 0.000 1.168 362 L HN -0.222 nan 8.230 nan 0.000 0.434 363 V N 4.161 124.149 119.914 0.123 0.000 2.500 363 V HA 0.472 4.595 4.120 0.005 0.000 0.243 363 V C 1.031 177.373 176.094 0.412 0.000 1.039 363 V CA 0.959 63.381 62.300 0.204 0.000 1.053 363 V CB -0.255 31.486 31.823 -0.136 0.000 0.695 363 V HN 0.923 nan 8.190 nan 0.000 0.463 364 G N -0.781 108.203 108.800 0.306 0.000 2.466 364 G HA2 0.543 4.506 3.960 0.005 0.000 0.291 364 G HA3 0.543 4.506 3.960 0.005 0.000 0.291 364 G C -1.781 173.229 174.900 0.184 0.000 1.460 364 G CA 0.214 45.471 45.100 0.263 0.000 0.791 364 G HN 0.635 nan 8.290 nan 0.000 0.505 365 V N -2.438 117.557 119.914 0.134 0.000 2.971 365 V HA 0.951 5.074 4.120 0.005 0.000 0.309 365 V C -0.494 175.619 176.094 0.031 0.000 1.130 365 V CA -0.851 61.499 62.300 0.083 0.000 0.964 365 V CB 1.665 33.560 31.823 0.120 0.000 1.029 365 V HN 1.083 nan 8.190 nan 0.000 0.427 366 S N 4.294 119.993 115.700 -0.002 0.000 2.532 366 S HA 0.765 5.238 4.470 0.005 0.000 0.299 366 S C -0.848 173.765 174.600 0.023 0.000 1.105 366 S CA -0.469 57.727 58.200 -0.006 0.000 1.018 366 S CB 1.489 64.641 63.200 -0.080 0.000 1.021 366 S HN 1.153 nan 8.310 nan 0.000 0.483 367 L N 3.956 125.226 121.223 0.078 0.000 2.272 367 L HA 0.695 5.038 4.340 0.005 0.000 0.289 367 L C -1.083 175.837 176.870 0.083 0.000 1.032 367 L CA -0.067 54.837 54.840 0.106 0.000 0.810 367 L CB 0.573 42.740 42.059 0.180 0.000 1.205 367 L HN 0.714 nan 8.230 nan 0.000 0.422 368 M N 7.572 127.246 119.600 0.124 0.000 2.263 368 M HA 0.663 5.146 4.480 0.005 0.000 0.295 368 M C -1.127 175.277 176.300 0.173 0.000 1.028 368 M CA -0.393 54.993 55.300 0.145 0.000 0.921 368 M CB 1.931 34.681 32.600 0.250 0.000 1.601 368 M HN 0.648 nan 8.290 nan 0.000 0.440 369 L N -0.994 120.291 121.223 0.104 0.000 2.765 369 L HA 0.741 5.084 4.340 0.005 0.000 0.263 369 L C -0.617 176.288 176.870 0.058 0.000 1.068 369 L CA -1.281 53.622 54.840 0.105 0.000 0.903 369 L CB 1.279 43.380 42.059 0.070 0.000 1.512 369 L HN 0.489 nan 8.230 nan 0.000 0.404 370 E N 1.175 121.412 120.200 0.061 0.000 2.820 370 E HA 0.273 4.626 4.350 0.005 0.000 0.251 370 E C 1.160 177.761 176.600 0.002 0.000 0.944 370 E CA 1.871 58.291 56.400 0.033 0.000 0.955 370 E CB -0.038 29.686 29.700 0.041 0.000 0.904 370 E HN 1.098 nan 8.360 nan 0.000 0.513 371 G N 3.812 112.601 108.800 -0.019 0.000 2.205 371 G HA2 -0.344 3.619 3.960 0.005 0.000 0.269 371 G HA3 -0.344 3.619 3.960 0.005 0.000 0.269 371 G C -0.019 174.837 174.900 -0.073 0.000 0.977 371 G CA 0.859 45.932 45.100 -0.045 0.000 0.652 371 G HN 0.574 nan 8.290 nan 0.000 0.539 372 Q N -1.069 118.670 119.800 -0.103 0.000 2.315 372 Q HA 0.641 4.984 4.340 0.005 0.000 0.273 372 Q C -0.765 175.009 176.000 -0.376 0.000 1.053 372 Q CA -0.612 55.031 55.803 -0.266 0.000 0.817 372 Q CB 2.210 30.832 28.738 -0.193 0.000 1.326 372 Q HN 0.340 nan 8.270 nan 0.000 0.423 373 Q N 2.007 121.426 119.800 -0.634 0.000 2.263 373 Q HA 0.452 4.795 4.340 0.005 0.000 0.266 373 Q C -2.015 173.598 176.000 -0.645 0.000 1.002 373 Q CA -0.478 55.062 55.803 -0.440 0.000 0.790 373 Q CB 1.445 30.120 28.738 -0.105 0.000 1.272 373 Q HN 0.614 nan 8.270 nan 0.000 0.435 374 Y N 1.784 122.100 120.300 0.027 0.000 2.326 374 Y HA 0.413 4.966 4.550 0.005 0.000 0.329 374 Y C -0.427 175.460 175.900 -0.022 0.000 0.973 374 Y CA -0.824 57.275 58.100 -0.001 0.000 1.162 374 Y CB 1.709 40.164 38.460 -0.007 0.000 1.147 374 Y HN 0.510 nan 8.280 nan 0.000 0.456 375 R N 3.908 124.467 120.500 0.098 0.000 2.215 375 R HA 0.529 4.872 4.340 0.005 0.000 0.337 375 R C -1.712 174.576 176.300 -0.021 0.000 1.010 375 R CA -0.655 55.457 56.100 0.019 0.000 0.871 375 R CB 0.192 30.491 30.300 -0.001 0.000 1.134 375 R HN 0.549 nan 8.270 nan 0.000 0.477 376 L N 4.080 125.267 121.223 -0.061 0.000 2.275 376 L HA 0.363 4.706 4.340 0.005 0.000 0.288 376 L C -0.164 176.504 176.870 -0.336 0.000 1.046 376 L CA 0.102 54.819 54.840 -0.205 0.000 0.805 376 L CB 1.511 43.450 42.059 -0.200 0.000 1.193 376 L HN 0.609 nan 8.230 nan 0.000 0.426 377 E N 2.572 122.503 120.200 -0.448 0.000 2.199 377 E HA 0.275 4.628 4.350 0.005 0.000 0.269 377 E C -0.788 175.448 176.600 -0.606 0.000 0.899 377 E CA -0.440 55.688 56.400 -0.452 0.000 0.772 377 E CB 1.442 30.799 29.700 -0.570 0.000 1.155 377 E HN 0.392 nan 8.360 nan 0.000 0.408 378 Y N 1.246 121.567 120.300 0.034 0.000 2.524 378 Y HA 0.176 4.728 4.550 0.005 0.000 0.266 378 Y C -0.003 176.026 175.900 0.215 0.000 1.180 378 Y CA -0.454 57.698 58.100 0.087 0.000 1.244 378 Y CB -0.027 38.489 38.460 0.094 0.000 1.125 378 Y HN 0.410 nan 8.280 nan 0.000 0.524 379 F N -2.047 118.009 119.950 0.176 0.000 2.654 379 F HA 0.905 5.436 4.527 0.007 0.000 0.334 379 F C 0.648 176.498 175.800 0.083 0.000 1.078 379 F CA -1.355 56.754 58.000 0.183 0.000 0.986 379 F CB 0.631 39.734 39.000 0.172 0.000 1.362 379 F HN 0.013 nan 8.300 nan 0.000 0.498 380 G N 1.122 109.993 108.800 0.119 0.000 2.752 380 G HA2 -0.105 3.858 3.960 0.005 0.000 0.234 380 G HA3 -0.105 3.858 3.960 0.005 0.000 0.234 380 G C -0.565 174.237 174.900 -0.163 0.000 1.367 380 G CA 0.184 45.268 45.100 -0.028 0.000 0.879 380 G HN 1.015 nan 8.290 nan 0.000 0.563 381 D N -0.502 119.764 120.400 -0.223 0.000 2.530 381 D HA 0.177 4.820 4.640 0.005 0.000 0.253 381 D C 0.376 176.300 176.300 -0.628 0.000 1.338 381 D CA 0.205 53.968 54.000 -0.396 0.000 0.806 381 D CB 0.478 41.015 40.800 -0.439 0.000 1.160 381 D HN 0.518 nan 8.370 nan 0.000 0.514 382 H N 0.000 119.026 119.070 -0.074 0.000 2.539 382 H HA 0.000 4.559 4.556 0.005 0.000 0.296 382 H CA 0.000 56.017 56.048 -0.051 0.000 1.023 382 H CB 0.000 29.755 29.762 -0.012 0.000 1.292 382 H HN 0.000 nan 8.280 nan 0.000 0.496