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 2x4m_1_B DATA FIRST_RESID 13 DATA SEQUENCE SFTVAASTGM LSGKSHEMLY DAETGRKISQ LDWKIKNVAI LKGDISWDPY DATA SEQUENCE SFLTLNARGW TSLASGSGNM DDYAWMNENQ SEWTDHSSHP ATNVNHANEY DATA SEQUENCE DLNVKGWLLQ DENYKAGITA GYQETRFSWT ATGGSYSYNN GAYTGNFPKG DATA SEQUENCE VRVIGYNQRF SMPYIGLAGQ YRINDFELNA LFKFSDWVRA HDNDEHYMRD DATA SEQUENCE LTFREKTSGS RYYGTVINAG YYVTPNAKVF AEFTYSKYDE GKGGTQTIDK DATA SEQUENCE NSGDSVSIGG DAAGISNKNY TVTAGLQYRF GGGGGG 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 13 S HA 0.000 nan 4.470 nan 0.000 0.327 13 S C 0.000 174.527 174.600 -0.121 0.000 1.055 13 S CA 0.000 58.147 58.200 -0.088 0.000 1.107 13 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 14 F N 0.917 121.079 119.950 0.353 0.000 2.507 14 F HA 0.790 5.318 4.527 0.001 0.000 0.327 14 F C 0.799 176.692 175.800 0.155 0.000 1.068 14 F CA -0.657 57.563 58.000 0.367 0.000 0.965 14 F CB 1.924 41.158 39.000 0.390 0.000 1.192 14 F HN 0.392 nan 8.300 nan 0.000 0.476 15 T N 1.628 116.361 114.554 0.298 0.000 2.893 15 T HA 0.730 5.081 4.350 0.001 0.000 0.293 15 T C -1.504 173.295 174.700 0.164 0.000 1.027 15 T CA -0.525 61.612 62.100 0.063 0.000 0.988 15 T CB 1.511 70.395 68.868 0.027 0.000 1.043 15 T HN 0.385 nan 8.240 nan 0.000 0.461 16 V N 2.622 122.600 119.914 0.107 0.000 2.638 16 V HA 0.890 5.011 4.120 0.001 0.000 0.306 16 V C -0.357 175.850 176.094 0.189 0.000 1.052 16 V CA -0.834 61.592 62.300 0.210 0.000 0.885 16 V CB 1.542 33.570 31.823 0.343 0.000 0.999 16 V HN 1.085 nan 8.190 nan 0.000 0.424 17 A N 3.447 126.386 122.820 0.198 0.000 2.435 17 A HA 1.037 5.358 4.320 0.001 0.000 0.304 17 A C -0.548 177.196 177.584 0.265 0.000 1.064 17 A CA -0.272 51.921 52.037 0.260 0.000 0.727 17 A CB 2.017 21.174 19.000 0.262 0.000 1.284 17 A HN 1.658 nan 8.150 nan 0.000 0.415 18 A N 1.096 124.076 122.820 0.268 0.000 2.427 18 A HA 0.860 5.181 4.320 0.001 0.000 0.298 18 A C -0.185 177.490 177.584 0.151 0.000 1.036 18 A CA 0.161 52.320 52.037 0.203 0.000 0.701 18 A CB 1.245 20.329 19.000 0.140 0.000 1.250 18 A HN 2.100 nan 8.150 nan 0.000 0.412 19 S N 0.434 116.231 115.700 0.161 0.000 2.704 19 S HA 0.948 5.419 4.470 0.001 0.000 0.296 19 S C -0.367 174.270 174.600 0.062 0.000 1.138 19 S CA -0.507 57.728 58.200 0.058 0.000 0.875 19 S CB 1.946 65.223 63.200 0.128 0.000 1.151 19 S HN 1.447 nan 8.310 nan 0.000 0.500 20 T N -1.294 113.271 114.554 0.019 0.000 2.853 20 T HA 0.780 5.131 4.350 0.001 0.000 0.311 20 T C -0.146 174.560 174.700 0.010 0.000 1.307 20 T CA 0.389 62.504 62.100 0.025 0.000 1.019 20 T CB 1.040 69.919 68.868 0.019 0.000 1.264 20 T HN 1.801 nan 8.240 nan 0.000 0.497 21 G N 2.095 110.899 108.800 0.006 0.000 2.512 21 G HA2 0.379 4.340 3.960 0.001 0.000 0.181 21 G HA3 0.379 4.340 3.960 0.001 0.000 0.181 21 G C -1.477 173.417 174.900 -0.010 0.000 1.173 21 G CA -0.048 45.055 45.100 0.005 0.000 0.988 21 G HN 0.902 nan 8.290 nan 0.000 0.485 22 M N 0.479 120.074 119.600 -0.009 0.000 2.528 22 M HA 0.875 5.356 4.480 0.001 0.000 0.321 22 M C -1.744 174.523 176.300 -0.055 0.000 1.153 22 M CA -0.986 54.307 55.300 -0.011 0.000 0.951 22 M CB 2.206 34.827 32.600 0.034 0.000 1.705 22 M HN 0.807 nan 8.290 nan 0.000 0.451 23 L N 2.839 124.015 121.223 -0.079 0.000 2.346 23 L HA 0.763 5.104 4.340 0.001 0.000 0.276 23 L C -1.308 175.558 176.870 -0.007 0.000 1.006 23 L CA 0.309 55.068 54.840 -0.136 0.000 0.817 23 L CB 2.225 44.109 42.059 -0.291 0.000 1.272 23 L HN 0.826 nan 8.230 nan 0.000 0.421 24 S N 1.927 117.643 115.700 0.027 0.000 2.588 24 S HA 1.011 5.482 4.470 0.001 0.000 0.275 24 S C -0.610 173.842 174.600 -0.247 0.000 1.130 24 S CA 0.014 58.277 58.200 0.105 0.000 0.855 24 S CB 1.738 65.212 63.200 0.456 0.000 1.116 24 S HN 1.288 nan 8.310 nan 0.000 0.472 25 G N 1.440 110.112 108.800 -0.214 0.000 2.317 25 G HA2 0.476 4.437 3.960 0.001 0.000 0.293 25 G HA3 0.476 4.437 3.960 0.001 0.000 0.293 25 G C -2.156 172.682 174.900 -0.104 0.000 1.287 25 G CA -0.652 44.177 45.100 -0.453 0.000 0.850 25 G HN 0.662 nan 8.290 nan 0.000 0.515 26 K N 0.007 120.343 120.400 -0.105 0.000 2.589 26 K HA 0.622 4.943 4.320 0.001 0.000 0.253 26 K C -1.022 175.507 176.600 -0.118 0.000 0.974 26 K CA -0.492 55.763 56.287 -0.054 0.000 0.835 26 K CB 1.651 34.149 32.500 -0.002 0.000 1.272 26 K HN 0.606 nan 8.250 nan 0.000 0.444 27 S N 1.566 117.181 115.700 -0.143 0.000 2.681 27 S HA 0.533 5.004 4.470 0.001 0.000 0.299 27 S C -1.286 173.125 174.600 -0.315 0.000 1.113 27 S CA -0.636 57.522 58.200 -0.071 0.000 1.013 27 S CB 0.854 64.151 63.200 0.162 0.000 1.076 27 S HN 0.604 nan 8.310 nan 0.000 0.534 28 H N 0.544 119.718 119.070 0.173 0.000 2.717 28 H HA 0.503 5.060 4.556 0.001 0.000 0.366 28 H C -0.766 174.641 175.328 0.132 0.000 1.132 28 H CA -0.581 55.537 56.048 0.115 0.000 1.180 28 H CB 1.419 31.237 29.762 0.093 0.000 1.678 28 H HN 0.528 nan 8.280 nan 0.000 0.537 29 E N 3.207 123.489 120.200 0.137 0.000 2.235 29 E HA 0.346 4.697 4.350 0.001 0.000 0.252 29 E C -1.301 175.296 176.600 -0.005 0.000 0.886 29 E CA -0.880 55.543 56.400 0.038 0.000 0.767 29 E CB 0.809 30.382 29.700 -0.212 0.000 1.205 29 E HN 0.407 nan 8.360 nan 0.000 0.421 30 M N 3.770 123.357 119.600 -0.022 0.000 2.472 30 M HA 0.439 4.920 4.480 0.001 0.000 0.331 30 M C -1.340 174.775 176.300 -0.310 0.000 1.170 30 M CA -0.810 54.359 55.300 -0.218 0.000 1.009 30 M CB 1.695 34.104 32.600 -0.318 0.000 1.672 30 M HN 0.516 nan 8.290 nan 0.000 0.453 31 L N 3.663 124.621 121.223 -0.441 0.000 2.406 31 L HA 0.617 4.957 4.340 0.001 0.000 0.272 31 L C -2.045 174.588 176.870 -0.395 0.000 0.980 31 L CA -0.135 54.516 54.840 -0.315 0.000 0.831 31 L CB 1.081 43.029 42.059 -0.186 0.000 1.253 31 L HN 0.652 nan 8.230 nan 0.000 0.406 32 Y N 1.683 121.982 120.300 -0.002 0.000 2.509 32 Y HA 0.443 4.994 4.550 0.001 0.000 0.341 32 Y C -0.230 175.670 175.900 -0.001 0.000 1.038 32 Y CA -0.835 57.260 58.100 -0.010 0.000 1.089 32 Y CB 1.577 40.026 38.460 -0.018 0.000 1.241 32 Y HN 0.553 nan 8.280 nan 0.000 0.468 33 D N 1.062 121.572 120.400 0.183 0.000 2.325 33 D HA 0.278 4.919 4.640 0.001 0.000 0.251 33 D C 0.531 176.893 176.300 0.102 0.000 1.196 33 D CA 0.198 54.264 54.000 0.111 0.000 0.866 33 D CB 1.623 42.469 40.800 0.077 0.000 1.101 33 D HN 0.685 nan 8.370 nan 0.000 0.476 34 A N 4.106 126.972 122.820 0.077 0.000 1.897 34 A HA -0.151 4.170 4.320 0.001 0.000 0.215 34 A C 1.860 179.446 177.584 0.003 0.000 1.181 34 A CA 1.481 53.537 52.037 0.032 0.000 0.620 34 A CB -0.536 18.485 19.000 0.035 0.000 0.821 34 A HN 0.632 nan 8.150 nan 0.000 0.443 35 E N 0.628 120.837 120.200 0.015 0.000 2.160 35 E HA -0.172 4.179 4.350 0.001 0.000 0.195 35 E C 1.693 178.291 176.600 -0.003 0.000 0.991 35 E CA 2.343 58.747 56.400 0.006 0.000 0.810 35 E CB -0.455 29.253 29.700 0.014 0.000 0.742 35 E HN 0.611 nan 8.360 nan 0.000 0.466 36 T N -5.070 109.484 114.554 0.001 0.000 3.003 36 T HA 0.372 4.723 4.350 0.001 0.000 0.261 36 T C 1.548 176.233 174.700 -0.025 0.000 1.003 36 T CA 0.443 62.538 62.100 -0.007 0.000 0.917 36 T CB 0.228 69.099 68.868 0.006 0.000 1.084 36 T HN 0.374 nan 8.240 nan 0.000 0.522 37 G N 2.295 111.072 108.800 -0.040 0.000 2.196 37 G HA2 -0.358 3.603 3.960 0.001 0.000 0.268 37 G HA3 -0.358 3.603 3.960 0.001 0.000 0.268 37 G C 0.204 175.096 174.900 -0.013 0.000 0.975 37 G CA 0.360 45.400 45.100 -0.100 0.000 0.648 37 G HN 0.857 nan 8.290 nan 0.000 0.538 38 R N 1.134 121.650 120.500 0.027 0.000 2.399 38 R HA 0.310 4.651 4.340 0.001 0.000 0.324 38 R C 1.049 177.415 176.300 0.110 0.000 1.030 38 R CA 0.245 56.362 56.100 0.029 0.000 0.984 38 R CB 0.153 30.463 30.300 0.017 0.000 0.961 38 R HN 0.551 nan 8.270 nan 0.000 0.433 39 K N 5.499 125.938 120.400 0.065 0.000 2.218 39 K HA 0.119 4.439 4.320 0.001 0.000 0.276 39 K C 0.890 177.416 176.600 -0.123 0.000 1.022 39 K CA -0.454 55.793 56.287 -0.068 0.000 0.946 39 K CB 0.875 33.190 32.500 -0.308 0.000 1.000 39 K HN 0.700 nan 8.250 nan 0.000 0.468 40 I N -1.728 118.868 120.570 0.044 0.000 4.244 40 I HA 0.167 4.338 4.170 0.001 0.000 0.318 40 I C -0.145 176.268 176.117 0.494 0.000 1.282 40 I CA -0.226 61.248 61.300 0.290 0.000 1.276 40 I CB 0.805 38.903 38.000 0.163 0.000 1.183 40 I HN 0.538 nan 8.210 nan 0.000 0.431 41 S N 0.945 116.822 115.700 0.295 0.000 2.546 41 S HA 0.566 5.036 4.470 0.001 0.000 0.274 41 S C -1.248 173.483 174.600 0.219 0.000 1.121 41 S CA -0.366 57.995 58.200 0.270 0.000 0.887 41 S CB 2.054 65.289 63.200 0.057 0.000 1.094 41 S HN 0.467 nan 8.310 nan 0.000 0.474 42 Q N 3.991 123.943 119.800 0.253 0.000 2.380 42 Q HA 0.372 4.713 4.340 0.001 0.000 0.245 42 Q C -2.071 173.988 176.000 0.098 0.000 0.893 42 Q CA -0.615 55.289 55.803 0.167 0.000 0.922 42 Q CB 0.916 29.826 28.738 0.287 0.000 1.432 42 Q HN 0.651 nan 8.270 nan 0.000 0.434 43 L N 3.042 124.237 121.223 -0.047 0.000 2.317 43 L HA 0.574 4.915 4.340 0.001 0.000 0.281 43 L C -0.668 175.994 176.870 -0.346 0.000 1.024 43 L CA -0.638 54.043 54.840 -0.266 0.000 0.810 43 L CB 1.591 43.443 42.059 -0.346 0.000 1.240 43 L HN 0.663 nan 8.230 nan 0.000 0.427 44 D N 2.848 122.948 120.400 -0.500 0.000 2.440 44 D HA 0.306 4.947 4.640 0.001 0.000 0.239 44 D C -1.003 174.881 176.300 -0.692 0.000 1.084 44 D CA -0.072 53.663 54.000 -0.442 0.000 0.843 44 D CB 1.255 41.952 40.800 -0.172 0.000 1.097 44 D HN 0.251 nan 8.370 nan 0.000 0.531 45 W N 2.578 123.539 121.300 -0.565 0.000 2.329 45 W HA 0.331 4.992 4.660 0.001 0.000 0.312 45 W C 0.730 176.997 176.519 -0.421 0.000 1.054 45 W CA -0.853 56.019 57.345 -0.789 0.000 1.245 45 W CB 1.212 29.617 29.460 -1.758 0.000 1.255 45 W HN -0.141 nan 8.180 nan 0.000 0.436 46 K N 3.356 123.767 120.400 0.018 0.000 2.118 46 K HA 0.529 4.850 4.320 0.001 0.000 0.267 46 K C -0.535 176.306 176.600 0.402 0.000 0.991 46 K CA -0.917 55.467 56.287 0.162 0.000 0.916 46 K CB 1.580 34.153 32.500 0.122 0.000 1.041 46 K HN 0.366 nan 8.250 nan 0.000 0.455 47 I N 2.910 123.656 120.570 0.294 0.000 2.442 47 I HA 0.158 4.329 4.170 0.001 0.000 0.279 47 I C -0.146 176.072 176.117 0.168 0.000 1.081 47 I CA -0.358 61.091 61.300 0.247 0.000 1.197 47 I CB 0.829 38.892 38.000 0.105 0.000 1.394 47 I HN 0.300 nan 8.210 nan 0.000 0.488 48 K N 4.016 124.521 120.400 0.175 0.000 2.298 48 K HA 0.152 4.472 4.320 0.001 0.000 0.280 48 K C 0.373 177.043 176.600 0.116 0.000 1.032 48 K CA -0.377 55.996 56.287 0.143 0.000 0.958 48 K CB 0.432 33.010 32.500 0.130 0.000 0.978 48 K HN 0.514 nan 8.250 nan 0.000 0.472 49 N N 1.972 120.737 118.700 0.108 0.000 1.368 49 N HA -0.214 4.527 4.740 0.001 0.000 0.392 49 N C -1.514 174.036 175.510 0.067 0.000 1.170 49 N CA 0.448 53.548 53.050 0.084 0.000 0.768 49 N CB 0.098 38.629 38.487 0.072 0.000 0.970 49 N HN 0.156 nan 8.380 nan 0.000 0.550 50 V N 2.665 122.606 119.914 0.046 0.000 2.577 50 V HA 0.687 4.807 4.120 0.001 0.000 0.303 50 V C 0.169 176.270 176.094 0.010 0.000 1.042 50 V CA -0.613 61.708 62.300 0.035 0.000 0.872 50 V CB 1.442 33.288 31.823 0.038 0.000 0.998 50 V HN 0.884 nan 8.190 nan 0.000 0.423 51 A N 6.752 129.586 122.820 0.024 0.000 2.366 51 A HA 0.831 5.151 4.320 0.001 0.000 0.272 51 A C -0.233 177.366 177.584 0.025 0.000 1.135 51 A CA -0.237 51.809 52.037 0.016 0.000 0.804 51 A CB 0.196 19.212 19.000 0.027 0.000 1.064 51 A HN 0.985 nan 8.150 nan 0.000 0.499 52 I N -0.292 120.280 120.570 0.003 0.000 3.108 52 I HA 0.788 4.959 4.170 0.001 0.000 0.312 52 I C -1.365 174.798 176.117 0.076 0.000 1.095 52 I CA -1.302 60.026 61.300 0.046 0.000 1.000 52 I CB 2.043 39.999 38.000 -0.073 0.000 1.229 52 I HN 0.452 nan 8.210 nan 0.000 0.454 53 L N 3.446 124.758 121.223 0.150 0.000 2.324 53 L HA 0.512 4.853 4.340 0.001 0.000 0.274 53 L C -0.358 176.651 176.870 0.231 0.000 1.012 53 L CA -0.148 54.780 54.840 0.148 0.000 0.859 53 L CB 0.831 42.964 42.059 0.123 0.000 1.224 53 L HN 0.596 nan 8.230 nan 0.000 0.429 54 K N 2.770 123.305 120.400 0.225 0.000 2.107 54 K HA 0.843 5.164 4.320 0.001 0.000 0.251 54 K C -0.069 176.671 176.600 0.233 0.000 1.012 54 K CA -0.283 56.181 56.287 0.294 0.000 0.920 54 K CB 1.277 33.938 32.500 0.268 0.000 1.033 54 K HN 0.788 nan 8.250 nan 0.000 0.478 55 G N 0.507 109.445 108.800 0.229 0.000 2.519 55 G HA2 0.211 4.171 3.960 0.001 0.000 0.292 55 G HA3 0.211 4.171 3.960 0.001 0.000 0.292 55 G C -1.969 173.035 174.900 0.174 0.000 1.507 55 G CA -0.436 44.782 45.100 0.196 0.000 0.806 55 G HN 0.523 nan 8.290 nan 0.000 0.523 56 D N -0.793 119.707 120.400 0.167 0.000 2.592 56 D HA 0.773 5.414 4.640 0.001 0.000 0.263 56 D C -1.015 175.378 176.300 0.155 0.000 1.132 56 D CA -0.456 53.634 54.000 0.150 0.000 0.996 56 D CB 2.487 43.366 40.800 0.131 0.000 1.442 56 D HN 0.387 nan 8.370 nan 0.000 0.486 57 I N 1.066 121.729 120.570 0.156 0.000 2.651 57 I HA 0.120 4.290 4.170 0.001 0.000 0.287 57 I C -0.944 175.292 176.117 0.198 0.000 1.244 57 I CA -0.372 61.041 61.300 0.188 0.000 1.061 57 I CB 2.062 40.166 38.000 0.174 0.000 1.286 57 I HN 0.040 nan 8.210 nan 0.000 0.434 58 S N 5.679 121.507 115.700 0.214 0.000 2.454 58 S HA 0.467 4.937 4.470 0.001 0.000 0.306 58 S C -1.278 173.508 174.600 0.310 0.000 1.100 58 S CA -0.538 57.787 58.200 0.207 0.000 1.087 58 S CB 1.675 64.952 63.200 0.128 0.000 1.019 58 S HN 0.619 nan 8.310 nan 0.000 0.480 59 W N 3.239 124.585 121.300 0.077 0.000 2.551 59 W HA 0.450 5.111 4.660 0.002 0.000 0.330 59 W C -1.694 174.766 176.519 -0.099 0.000 1.063 59 W CA -0.707 56.637 57.345 -0.001 0.000 1.222 59 W CB 1.185 30.689 29.460 0.072 0.000 1.349 59 W HN 0.479 nan 8.180 nan 0.000 0.536 60 D N 6.999 126.640 120.400 -1.265 0.000 2.432 60 D HA 0.225 4.866 4.640 0.001 0.000 0.265 60 D C -1.650 173.663 176.300 -1.646 0.000 1.160 60 D CA -1.618 51.693 54.000 -1.149 0.000 0.911 60 D CB 1.627 42.054 40.800 -0.620 0.000 1.052 60 D HN 0.020 nan 8.370 nan 0.000 0.508 61 P HA -0.205 nan 4.420 nan 0.000 0.216 61 P C -0.348 176.184 177.300 -1.280 0.000 1.167 61 P CA 1.793 64.151 63.100 -1.236 0.000 0.933 61 P CB 0.168 31.468 31.700 -0.666 0.000 0.793 62 Y N -4.431 115.477 120.300 -0.653 0.000 2.965 62 Y HA 0.353 4.904 4.550 0.001 0.000 0.310 62 Y C 1.577 177.168 175.900 -0.515 0.000 1.480 62 Y CA -0.820 56.951 58.100 -0.550 0.000 1.094 62 Y CB -0.202 37.939 38.460 -0.531 0.000 1.377 62 Y HN -0.446 nan 8.280 nan 0.000 0.514 63 S N 0.672 116.325 115.700 -0.079 0.000 2.786 63 S HA 0.028 4.499 4.470 0.001 0.000 0.223 63 S C 0.145 174.837 174.600 0.155 0.000 0.956 63 S CA 0.657 58.874 58.200 0.029 0.000 0.961 63 S CB -1.017 62.258 63.200 0.124 0.000 0.784 63 S HN 0.601 nan 8.310 nan 0.000 0.519 64 F N -1.827 118.219 119.950 0.161 0.000 3.087 64 F HA 0.570 5.098 4.527 0.001 0.000 0.371 64 F C -0.628 175.386 175.800 0.356 0.000 1.144 64 F CA -0.971 57.190 58.000 0.269 0.000 1.030 64 F CB 0.419 39.518 39.000 0.165 0.000 1.366 64 F HN 0.050 nan 8.300 nan 0.000 0.522 65 L N 2.096 123.210 121.223 -0.182 0.000 2.445 65 L HA 0.816 5.157 4.340 0.001 0.000 0.262 65 L C -0.808 175.955 176.870 -0.178 0.000 0.974 65 L CA -0.209 54.543 54.840 -0.148 0.000 0.822 65 L CB 2.387 44.280 42.059 -0.276 0.000 1.339 65 L HN 0.257 nan 8.230 nan 0.000 0.409 66 T N 3.273 117.762 114.554 -0.109 0.000 2.886 66 T HA 0.685 5.036 4.350 0.001 0.000 0.292 66 T C -0.886 173.767 174.700 -0.078 0.000 1.012 66 T CA -0.686 61.348 62.100 -0.109 0.000 0.982 66 T CB 1.013 69.905 68.868 0.040 0.000 1.018 66 T HN 0.593 nan 8.240 nan 0.000 0.451 67 L N 4.226 125.416 121.223 -0.055 0.000 2.295 67 L HA 0.594 4.935 4.340 0.001 0.000 0.285 67 L C 0.513 177.449 176.870 0.110 0.000 1.035 67 L CA -0.952 53.921 54.840 0.055 0.000 0.806 67 L CB 1.159 43.307 42.059 0.148 0.000 1.214 67 L HN 0.746 nan 8.230 nan 0.000 0.426 68 N N 2.173 120.935 118.700 0.104 0.000 2.272 68 N HA 0.738 5.479 4.740 0.001 0.000 0.305 68 N C -1.503 174.086 175.510 0.132 0.000 1.103 68 N CA -0.492 52.632 53.050 0.123 0.000 0.791 68 N CB 2.616 41.167 38.487 0.108 0.000 1.356 68 N HN 0.736 nan 8.380 nan 0.000 0.486 69 A N 3.261 126.164 122.820 0.138 0.000 2.702 69 A HA 0.407 4.728 4.320 0.001 0.000 0.305 69 A C -0.534 177.128 177.584 0.130 0.000 1.213 69 A CA -0.738 51.378 52.037 0.131 0.000 0.745 69 A CB 0.361 19.430 19.000 0.114 0.000 1.161 69 A HN 0.781 nan 8.150 nan 0.000 0.445 70 R N 0.800 121.383 120.500 0.139 0.000 2.843 70 R HA 0.945 5.286 4.340 0.001 0.000 0.232 70 R C 0.314 176.689 176.300 0.125 0.000 1.305 70 R CA -0.557 55.625 56.100 0.137 0.000 1.096 70 R CB 1.001 31.387 30.300 0.143 0.000 1.455 70 R HN 1.156 nan 8.270 nan 0.000 0.520 71 G N -0.424 108.447 108.800 0.117 0.000 2.358 71 G HA2 0.292 4.253 3.960 0.001 0.000 0.303 71 G HA3 0.292 4.253 3.960 0.001 0.000 0.303 71 G C -2.057 172.912 174.900 0.114 0.000 1.537 71 G CA -0.952 44.158 45.100 0.017 0.000 0.928 71 G HN 0.685 nan 8.290 nan 0.000 0.656 72 W N -0.771 120.566 121.300 0.062 0.000 3.047 72 W HA 0.832 5.493 4.660 0.001 0.000 0.341 72 W C -1.249 175.289 176.519 0.032 0.000 1.225 72 W CA -0.763 56.614 57.345 0.053 0.000 1.150 72 W CB 1.521 31.015 29.460 0.057 0.000 1.470 72 W HN 1.060 nan 8.180 nan 0.000 0.578 73 T N 0.377 115.233 114.554 0.502 0.000 2.923 73 T HA 0.296 4.647 4.350 0.001 0.000 0.311 73 T C -0.846 174.066 174.700 0.354 0.000 1.183 73 T CA -0.300 62.008 62.100 0.346 0.000 1.020 73 T CB 1.739 70.681 68.868 0.123 0.000 1.165 73 T HN 0.634 nan 8.240 nan 0.000 0.482 74 S N 3.376 119.261 115.700 0.309 0.000 2.544 74 S HA 0.137 4.608 4.470 0.001 0.000 0.290 74 S C 1.544 176.224 174.600 0.133 0.000 1.276 74 S CA -0.346 57.977 58.200 0.205 0.000 1.075 74 S CB -0.288 63.029 63.200 0.194 0.000 0.849 74 S HN 0.612 nan 8.310 nan 0.000 0.494 75 L N 3.916 125.201 121.223 0.102 0.000 2.156 75 L HA 0.221 4.562 4.340 0.001 0.000 0.208 75 L C 1.131 178.038 176.870 0.061 0.000 1.095 75 L CA 0.964 55.848 54.840 0.073 0.000 0.770 75 L CB -0.467 41.628 42.059 0.059 0.000 0.914 75 L HN 0.835 nan 8.230 nan 0.000 0.439 76 A N -1.792 121.068 122.820 0.066 0.000 2.511 76 A HA 0.374 4.695 4.320 0.001 0.000 0.293 76 A C -0.621 177.002 177.584 0.064 0.000 1.098 76 A CA -0.459 51.614 52.037 0.060 0.000 0.643 76 A CB 0.664 19.692 19.000 0.047 0.000 1.302 76 A HN -0.195 nan 8.150 nan 0.000 0.446 77 S N -0.639 115.096 115.700 0.059 0.000 2.593 77 S HA 0.421 4.891 4.470 0.001 0.000 0.300 77 S C 0.543 175.174 174.600 0.051 0.000 1.267 77 S CA 0.867 59.098 58.200 0.052 0.000 1.065 77 S CB -0.265 62.966 63.200 0.051 0.000 0.807 77 S HN 1.744 nan 8.310 nan 0.000 0.499 78 G N 2.159 110.987 108.800 0.046 0.000 2.816 78 G HA2 0.553 4.514 3.960 0.001 0.000 0.288 78 G HA3 0.553 4.514 3.960 0.001 0.000 0.288 78 G C -0.870 174.077 174.900 0.079 0.000 1.334 78 G CA -0.633 44.501 45.100 0.057 0.000 0.978 78 G HN 0.731 nan 8.290 nan 0.000 0.493 79 S N -0.922 114.833 115.700 0.090 0.000 2.474 79 S HA 0.642 5.113 4.470 0.001 0.000 0.276 79 S C 0.605 175.302 174.600 0.162 0.000 1.227 79 S CA 0.307 58.576 58.200 0.115 0.000 1.050 79 S CB 0.220 63.478 63.200 0.096 0.000 0.939 79 S HN 1.148 nan 8.310 nan 0.000 0.490 80 G N 3.052 111.980 108.800 0.213 0.000 3.243 80 G HA2 0.630 4.591 3.960 0.001 0.000 0.248 80 G HA3 0.630 4.591 3.960 0.001 0.000 0.248 80 G C -1.095 173.946 174.900 0.235 0.000 1.267 80 G CA -0.601 44.685 45.100 0.309 0.000 0.906 80 G HN 0.714 nan 8.290 nan 0.000 0.592 81 N N -1.555 117.285 118.700 0.234 0.000 3.127 81 N HA 0.506 5.246 4.740 0.001 0.000 0.239 81 N C -1.816 173.670 175.510 -0.041 0.000 1.407 81 N CA -0.517 52.593 53.050 0.099 0.000 0.891 81 N CB 1.983 40.508 38.487 0.063 0.000 1.447 81 N HN 0.570 nan 8.380 nan 0.000 0.507 82 M N 1.881 121.391 119.600 -0.151 0.000 2.333 82 M HA 0.343 4.824 4.480 0.001 0.000 0.286 82 M C -2.257 173.856 176.300 -0.311 0.000 1.113 82 M CA -0.240 54.786 55.300 -0.457 0.000 0.959 82 M CB 1.524 33.617 32.600 -0.845 0.000 1.776 82 M HN 0.570 nan 8.290 nan 0.000 0.492 83 D N 2.494 122.656 120.400 -0.396 0.000 2.619 83 D HA 0.424 5.065 4.640 0.001 0.000 0.241 83 D C -1.521 174.466 176.300 -0.520 0.000 1.087 83 D CA -0.182 53.603 54.000 -0.360 0.000 0.851 83 D CB 2.605 43.275 40.800 -0.217 0.000 1.474 83 D HN 0.464 nan 8.370 nan 0.000 0.478 84 D N 2.000 122.065 120.400 -0.558 0.000 2.469 84 D HA 0.226 4.867 4.640 0.001 0.000 0.251 84 D C -1.388 174.623 176.300 -0.481 0.000 1.173 84 D CA -0.342 53.416 54.000 -0.403 0.000 0.882 84 D CB 0.455 41.162 40.800 -0.155 0.000 1.129 84 D HN 0.217 nan 8.370 nan 0.000 0.549 85 Y N 1.007 121.187 120.300 -0.199 0.000 2.409 85 Y HA 0.710 5.261 4.550 0.001 0.000 0.339 85 Y C 0.401 176.079 175.900 -0.371 0.000 1.033 85 Y CA -1.068 56.762 58.100 -0.449 0.000 1.094 85 Y CB 2.245 40.108 38.460 -0.994 0.000 1.210 85 Y HN 0.400 nan 8.280 nan 0.000 0.456 86 A N 2.575 125.271 122.820 -0.205 0.000 2.408 86 A HA 0.482 4.803 4.320 0.001 0.000 0.295 86 A C -1.715 175.862 177.584 -0.012 0.000 1.040 86 A CA -0.723 51.316 52.037 0.004 0.000 0.707 86 A CB 0.906 19.961 19.000 0.091 0.000 1.235 86 A HN 0.841 nan 8.150 nan 0.000 0.418 87 W N 4.366 125.790 121.300 0.206 0.000 2.228 87 W HA 0.205 4.866 4.660 0.001 0.000 0.364 87 W C 0.212 176.803 176.519 0.120 0.000 0.917 87 W CA -0.673 56.786 57.345 0.191 0.000 1.513 87 W CB 0.851 30.412 29.460 0.169 0.000 1.494 87 W HN 0.650 nan 8.180 nan 0.000 0.346 88 M N 0.660 120.402 119.600 0.236 0.000 2.506 88 M HA -0.043 4.438 4.480 0.001 0.000 0.260 88 M C 0.525 176.908 176.300 0.138 0.000 1.104 88 M CA 0.812 56.207 55.300 0.159 0.000 1.112 88 M CB -0.752 31.910 32.600 0.104 0.000 1.401 88 M HN 0.132 nan 8.290 nan 0.000 0.473 89 N N 1.521 120.311 118.700 0.151 0.000 2.501 89 N HA 0.117 4.858 4.740 0.001 0.000 0.245 89 N C 0.623 176.208 175.510 0.125 0.000 0.974 89 N CA 0.121 53.240 53.050 0.114 0.000 0.941 89 N CB 1.070 39.609 38.487 0.087 0.000 1.122 89 N HN 0.125 nan 8.380 nan 0.000 0.507 90 E N 2.204 122.463 120.200 0.098 0.000 2.147 90 E HA -0.230 4.121 4.350 0.001 0.000 0.199 90 E C -0.102 176.540 176.600 0.069 0.000 1.005 90 E CA 1.365 57.814 56.400 0.081 0.000 0.810 90 E CB 0.051 29.785 29.700 0.058 0.000 0.736 90 E HN 0.670 nan 8.360 nan 0.000 0.460 91 N N 0.306 119.042 118.700 0.060 0.000 2.327 91 N HA 0.029 4.770 4.740 0.001 0.000 0.231 91 N C -0.393 175.145 175.510 0.046 0.000 1.130 91 N CA -0.114 52.963 53.050 0.044 0.000 0.845 91 N CB 0.520 39.027 38.487 0.032 0.000 1.073 91 N HN 0.030 nan 8.380 nan 0.000 0.496 92 Q N -0.040 119.804 119.800 0.073 0.000 2.304 92 Q HA 0.294 4.634 4.340 0.001 0.000 0.270 92 Q C 0.352 176.426 176.000 0.122 0.000 1.035 92 Q CA -0.415 55.433 55.803 0.075 0.000 0.781 92 Q CB 1.497 30.280 28.738 0.074 0.000 1.261 92 Q HN 0.027 nan 8.270 nan 0.000 0.444 93 S N 2.963 118.711 115.700 0.081 0.000 2.368 93 S HA -0.042 4.429 4.470 0.001 0.000 0.224 93 S C 0.110 174.856 174.600 0.243 0.000 1.029 93 S CA 1.206 59.468 58.200 0.105 0.000 0.988 93 S CB 0.188 63.417 63.200 0.049 0.000 0.838 93 S HN 0.647 nan 8.310 nan 0.000 0.462 94 E N 0.753 121.020 120.200 0.110 0.000 2.242 94 E HA 0.390 4.741 4.350 0.001 0.000 0.275 94 E C -0.426 176.114 176.600 -0.100 0.000 1.002 94 E CA -0.735 55.615 56.400 -0.083 0.000 0.841 94 E CB 0.490 29.799 29.700 -0.651 0.000 1.109 94 E HN 0.515 nan 8.360 nan 0.000 0.394 95 W N 1.497 122.633 121.300 -0.273 0.000 2.187 95 W HA 0.118 4.779 4.660 0.001 0.000 0.348 95 W C 1.046 177.414 176.519 -0.253 0.000 1.282 95 W CA 0.325 57.166 57.345 -0.840 0.000 1.271 95 W CB -0.054 28.625 29.460 -1.302 0.000 1.170 95 W HN 0.550 nan 8.180 nan 0.000 0.583 96 T N -2.432 112.113 114.554 -0.015 0.000 3.039 96 T HA 0.093 4.444 4.350 0.001 0.000 0.250 96 T C -0.166 174.636 174.700 0.171 0.000 1.052 96 T CA 0.313 62.438 62.100 0.042 0.000 1.125 96 T CB -0.128 68.789 68.868 0.081 0.000 0.908 96 T HN 0.380 nan 8.240 nan 0.000 0.473 97 D N 1.023 121.560 120.400 0.228 0.000 2.248 97 D HA 0.473 5.114 4.640 0.001 0.000 0.246 97 D C -0.899 175.599 176.300 0.329 0.000 1.027 97 D CA -0.362 53.833 54.000 0.326 0.000 0.853 97 D CB 1.047 42.034 40.800 0.312 0.000 1.243 97 D HN 0.443 nan 8.370 nan 0.000 0.462 98 H N 0.321 119.460 119.070 0.115 0.000 3.240 98 H HA 0.315 4.872 4.556 0.001 0.000 0.329 98 H C -1.484 173.720 175.328 -0.206 0.000 1.024 98 H CA -0.550 55.419 56.048 -0.133 0.000 1.487 98 H CB 0.843 30.595 29.762 -0.016 0.000 1.909 98 H HN 0.399 nan 8.280 nan 0.000 0.465 99 S N 3.456 118.841 115.700 -0.525 0.000 2.593 99 S HA 0.571 5.042 4.470 0.001 0.000 0.297 99 S C -0.254 173.837 174.600 -0.847 0.000 1.112 99 S CA -0.859 56.981 58.200 -0.600 0.000 1.043 99 S CB 2.324 65.479 63.200 -0.076 0.000 1.054 99 S HN 0.470 nan 8.310 nan 0.000 0.516 100 S N 0.631 115.778 115.700 -0.921 0.000 2.538 100 S HA 0.499 4.970 4.470 0.001 0.000 0.288 100 S C -1.493 172.628 174.600 -0.798 0.000 1.108 100 S CA -0.706 57.078 58.200 -0.694 0.000 0.971 100 S CB 0.608 63.524 63.200 -0.472 0.000 1.041 100 S HN 0.823 nan 8.310 nan 0.000 0.483 101 H N 4.057 123.052 119.070 -0.125 0.000 2.429 101 H HA 0.243 4.800 4.556 0.001 0.000 0.231 101 H C -2.397 172.918 175.328 -0.022 0.000 1.416 101 H CA -1.350 54.672 56.048 -0.044 0.000 1.443 101 H CB 1.051 30.787 29.762 -0.044 0.000 1.591 101 H HN 0.414 nan 8.280 nan 0.000 0.507 102 P HA -0.102 nan 4.420 nan 0.000 0.221 102 P C 1.260 178.617 177.300 0.095 0.000 1.145 102 P CA 0.914 64.047 63.100 0.055 0.000 0.795 102 P CB 0.277 31.992 31.700 0.026 0.000 0.775 103 A N -0.736 122.154 122.820 0.116 0.000 2.543 103 A HA 0.161 4.482 4.320 0.001 0.000 0.258 103 A C 0.416 178.094 177.584 0.158 0.000 1.391 103 A CA 0.232 52.343 52.037 0.124 0.000 1.066 103 A CB -1.284 17.786 19.000 0.115 0.000 0.972 103 A HN 0.034 nan 8.150 nan 0.000 0.560 104 T N 1.720 116.385 114.554 0.185 0.000 2.749 104 T HA 0.171 4.522 4.350 0.001 0.000 0.295 104 T C 0.087 174.957 174.700 0.283 0.000 0.936 104 T CA -0.297 61.959 62.100 0.261 0.000 1.060 104 T CB 0.300 69.347 68.868 0.299 0.000 0.904 104 T HN 0.416 nan 8.240 nan 0.000 0.500 105 N N 2.529 121.390 118.700 0.269 0.000 2.434 105 N HA 0.211 4.952 4.740 0.001 0.000 0.272 105 N C -0.443 175.186 175.510 0.198 0.000 1.040 105 N CA -0.276 52.893 53.050 0.200 0.000 0.956 105 N CB 1.640 40.207 38.487 0.133 0.000 1.108 105 N HN 0.278 nan 8.380 nan 0.000 0.481 106 V N 4.414 124.389 119.914 0.102 0.000 2.223 106 V HA 0.034 4.154 4.120 0.001 0.000 0.249 106 V C 1.462 177.474 176.094 -0.138 0.000 1.233 106 V CA -0.261 61.961 62.300 -0.130 0.000 1.131 106 V CB -0.937 30.803 31.823 -0.139 0.000 1.298 106 V HN 0.633 nan 8.190 nan 0.000 0.498 107 N N 2.649 121.246 118.700 -0.171 0.000 2.036 107 N HA -0.158 4.583 4.740 0.001 0.000 0.199 107 N C 0.621 176.079 175.510 -0.085 0.000 1.036 107 N CA 1.929 54.895 53.050 -0.141 0.000 0.870 107 N CB -0.079 38.266 38.487 -0.238 0.000 1.055 107 N HN 0.910 nan 8.380 nan 0.000 0.436 108 H N -2.879 116.131 119.070 -0.100 0.000 2.987 108 H HA 0.696 5.253 4.556 0.001 0.000 0.316 108 H C -1.961 173.321 175.328 -0.076 0.000 1.380 108 H CA -1.040 54.972 56.048 -0.061 0.000 1.160 108 H CB 1.151 30.883 29.762 -0.049 0.000 1.865 108 H HN 0.068 nan 8.280 nan 0.000 0.521 109 A N 2.015 124.967 122.820 0.221 0.000 2.547 109 A HA 0.545 4.866 4.320 0.001 0.000 0.297 109 A C -1.334 176.353 177.584 0.172 0.000 1.056 109 A CA -0.384 51.771 52.037 0.196 0.000 0.688 109 A CB 1.910 21.171 19.000 0.433 0.000 1.282 109 A HN 1.027 nan 8.150 nan 0.000 0.400 110 N N 1.394 119.927 118.700 -0.278 0.000 2.859 110 N HA 0.505 5.246 4.740 0.001 0.000 0.250 110 N C -1.596 173.248 175.510 -1.110 0.000 1.341 110 N CA -0.577 52.080 53.050 -0.655 0.000 0.881 110 N CB 2.120 40.431 38.487 -0.293 0.000 1.516 110 N HN 0.734 nan 8.380 nan 0.000 0.503 111 E N 0.422 119.825 120.200 -1.327 0.000 2.390 111 E HA 0.372 4.723 4.350 0.001 0.000 0.277 111 E C -1.797 174.478 176.600 -0.541 0.000 0.939 111 E CA -0.538 55.264 56.400 -0.998 0.000 0.769 111 E CB 2.451 31.421 29.700 -1.216 0.000 1.251 111 E HN 0.601 nan 8.360 nan 0.000 0.450 112 Y N 0.213 120.304 120.300 -0.349 0.000 2.581 112 Y HA 0.738 5.289 4.550 0.001 0.000 0.345 112 Y C -1.317 174.531 175.900 -0.087 0.000 1.036 112 Y CA -1.054 56.937 58.100 -0.182 0.000 1.042 112 Y CB 1.923 40.317 38.460 -0.110 0.000 1.289 112 Y HN 0.305 nan 8.280 nan 0.000 0.471 113 D N 2.377 122.882 120.400 0.176 0.000 2.616 113 D HA 0.322 4.963 4.640 0.001 0.000 0.238 113 D C -1.849 174.596 176.300 0.243 0.000 1.354 113 D CA -0.264 53.829 54.000 0.154 0.000 0.970 113 D CB 1.322 42.179 40.800 0.096 0.000 1.369 113 D HN 0.773 nan 8.370 nan 0.000 0.585 114 L N 4.196 125.588 121.223 0.282 0.000 2.257 114 L HA 0.488 4.829 4.340 0.001 0.000 0.290 114 L C 0.389 177.339 176.870 0.133 0.000 1.044 114 L CA -0.702 54.261 54.840 0.204 0.000 0.810 114 L CB 0.984 43.164 42.059 0.201 0.000 1.193 114 L HN 0.344 nan 8.230 nan 0.000 0.425 115 N N 3.091 121.855 118.700 0.106 0.000 2.229 115 N HA 0.550 5.291 4.740 0.001 0.000 0.298 115 N C -1.997 173.523 175.510 0.017 0.000 1.114 115 N CA -0.392 52.694 53.050 0.060 0.000 0.776 115 N CB 3.331 41.920 38.487 0.170 0.000 1.501 115 N HN 0.356 nan 8.380 nan 0.000 0.474 116 V N 1.776 121.662 119.914 -0.046 0.000 2.735 116 V HA 0.572 4.693 4.120 0.001 0.000 0.310 116 V C -1.087 174.937 176.094 -0.117 0.000 1.061 116 V CA -0.644 61.621 62.300 -0.059 0.000 0.913 116 V CB 1.788 33.577 31.823 -0.055 0.000 1.005 116 V HN 0.771 nan 8.190 nan 0.000 0.428 117 K N 3.720 124.015 120.400 -0.175 0.000 2.292 117 K HA 0.775 5.096 4.320 0.001 0.000 0.257 117 K C -0.299 176.005 176.600 -0.493 0.000 0.940 117 K CA -0.245 55.811 56.287 -0.384 0.000 0.811 117 K CB 1.895 34.109 32.500 -0.476 0.000 1.120 117 K HN 0.948 nan 8.250 nan 0.000 0.428 118 G N 3.455 111.945 108.800 -0.518 0.000 2.605 118 G HA2 0.300 4.261 3.960 0.001 0.000 0.304 118 G HA3 0.300 4.261 3.960 0.001 0.000 0.304 118 G C -1.459 173.248 174.900 -0.323 0.000 1.333 118 G CA -0.661 44.260 45.100 -0.299 0.000 0.973 118 G HN 0.553 nan 8.290 nan 0.000 0.507 119 W N 3.331 124.728 121.300 0.161 0.000 2.387 119 W HA 0.364 5.025 4.660 0.002 0.000 0.310 119 W C 0.568 177.153 176.519 0.111 0.000 1.181 119 W CA -1.055 56.372 57.345 0.135 0.000 1.333 119 W CB 1.350 30.895 29.460 0.141 0.000 1.286 119 W HN 0.260 nan 8.180 nan 0.000 0.455 120 L N 3.208 124.606 121.223 0.293 0.000 2.316 120 L HA 0.246 4.587 4.340 0.001 0.000 0.207 120 L C 0.515 177.475 176.870 0.151 0.000 1.070 120 L CA 0.642 55.579 54.840 0.162 0.000 0.820 120 L CB -0.893 41.233 42.059 0.111 0.000 0.992 120 L HN 0.245 nan 8.230 nan 0.000 0.466 121 L N -0.261 121.078 121.223 0.194 0.000 2.341 121 L HA 0.636 4.977 4.340 0.001 0.000 0.278 121 L C -0.470 176.500 176.870 0.167 0.000 1.005 121 L CA -0.259 54.667 54.840 0.144 0.000 0.818 121 L CB 1.842 43.971 42.059 0.118 0.000 1.259 121 L HN 0.054 nan 8.230 nan 0.000 0.418 122 Q N 2.345 122.212 119.800 0.112 0.000 2.327 122 Q HA 0.437 4.778 4.340 0.001 0.000 0.265 122 Q C -2.127 173.905 176.000 0.053 0.000 0.993 122 Q CA -0.513 55.333 55.803 0.072 0.000 0.885 122 Q CB 2.818 31.593 28.738 0.063 0.000 1.379 122 Q HN 0.725 nan 8.270 nan 0.000 0.408 123 D N 2.752 123.182 120.400 0.050 0.000 2.227 123 D HA 0.150 4.791 4.640 0.001 0.000 0.176 123 D C -0.869 175.470 176.300 0.064 0.000 1.228 123 D CA 0.081 54.108 54.000 0.045 0.000 1.043 123 D CB 0.673 41.499 40.800 0.044 0.000 1.758 123 D HN 0.722 nan 8.370 nan 0.000 0.544 124 E N 1.075 121.290 120.200 0.026 0.000 3.916 124 E HA -0.244 4.107 4.350 0.001 0.000 0.331 124 E C 0.497 177.122 176.600 0.041 0.000 0.729 124 E CA 1.324 57.736 56.400 0.020 0.000 1.222 124 E CB -0.959 28.757 29.700 0.028 0.000 1.633 124 E HN 0.368 nan 8.360 nan 0.000 0.437 125 N N -2.281 116.479 118.700 0.100 0.000 1.850 125 N HA 0.072 4.813 4.740 0.001 0.000 0.225 125 N C -1.541 173.988 175.510 0.031 0.000 1.455 125 N CA 0.286 53.385 53.050 0.081 0.000 0.689 125 N CB 0.501 39.130 38.487 0.237 0.000 1.034 125 N HN 0.113 nan 8.380 nan 0.000 0.581 126 Y N 0.522 120.865 120.300 0.072 0.000 2.609 126 Y HA 0.458 5.009 4.550 0.001 0.000 0.336 126 Y C -0.768 175.114 175.900 -0.031 0.000 1.129 126 Y CA -1.043 57.105 58.100 0.081 0.000 1.040 126 Y CB 1.518 40.036 38.460 0.097 0.000 1.310 126 Y HN -0.112 nan 8.280 nan 0.000 0.460 127 K N 0.907 121.351 120.400 0.072 0.000 2.557 127 K HA 0.984 5.305 4.320 0.001 0.000 0.261 127 K C -1.934 174.745 176.600 0.132 0.000 0.932 127 K CA -1.052 55.200 56.287 -0.058 0.000 0.829 127 K CB 2.725 34.925 32.500 -0.501 0.000 1.358 127 K HN 0.750 nan 8.250 nan 0.000 0.430 128 A N 1.090 124.149 122.820 0.398 0.000 2.515 128 A HA 0.957 5.277 4.320 0.001 0.000 0.298 128 A C -0.642 177.311 177.584 0.615 0.000 1.059 128 A CA -0.207 52.156 52.037 0.543 0.000 0.698 128 A CB 2.074 21.256 19.000 0.304 0.000 1.289 128 A HN 1.113 nan 8.150 nan 0.000 0.404 129 G N -0.364 108.668 108.800 0.387 0.000 2.489 129 G HA2 0.596 4.557 3.960 0.001 0.000 0.305 129 G HA3 0.596 4.557 3.960 0.001 0.000 0.305 129 G C -0.971 173.909 174.900 -0.033 0.000 1.311 129 G CA -0.000 45.155 45.100 0.093 0.000 0.813 129 G HN 1.550 nan 8.290 nan 0.000 0.480 130 I N -1.356 119.151 120.570 -0.104 0.000 2.707 130 I HA 0.919 5.090 4.170 0.001 0.000 0.309 130 I C -0.038 175.989 176.117 -0.150 0.000 1.001 130 I CA -0.727 60.535 61.300 -0.062 0.000 1.129 130 I CB 2.243 40.234 38.000 -0.015 0.000 1.308 130 I HN 0.749 nan 8.210 nan 0.000 0.466 131 T N 1.203 115.706 114.554 -0.086 0.000 2.906 131 T HA 0.865 5.215 4.350 0.001 0.000 0.295 131 T C -0.724 173.909 174.700 -0.111 0.000 1.061 131 T CA -0.653 61.389 62.100 -0.095 0.000 1.000 131 T CB 1.851 70.710 68.868 -0.015 0.000 1.103 131 T HN 1.165 nan 8.240 nan 0.000 0.486 132 A N 0.588 123.292 122.820 -0.193 0.000 2.498 132 A HA 1.080 5.401 4.320 0.001 0.000 0.298 132 A C 0.073 177.329 177.584 -0.546 0.000 1.075 132 A CA -0.398 51.432 52.037 -0.345 0.000 0.714 132 A CB 1.586 20.459 19.000 -0.213 0.000 1.299 132 A HN 1.886 nan 8.150 nan 0.000 0.407 133 G N -1.191 107.043 108.800 -0.943 0.000 2.430 133 G HA2 0.523 4.484 3.960 0.001 0.000 0.300 133 G HA3 0.523 4.484 3.960 0.001 0.000 0.300 133 G C -2.244 172.346 174.900 -0.518 0.000 1.330 133 G CA -0.364 44.255 45.100 -0.803 0.000 0.813 133 G HN 1.458 nan 8.290 nan 0.000 0.487 134 Y N 0.411 120.602 120.300 -0.181 0.000 2.406 134 Y HA 0.719 5.270 4.550 0.001 0.000 0.340 134 Y C -0.387 175.567 175.900 0.090 0.000 0.975 134 Y CA -0.601 57.502 58.100 0.005 0.000 1.056 134 Y CB 2.013 40.479 38.460 0.009 0.000 1.210 134 Y HN 0.554 nan 8.280 nan 0.000 0.448 135 Q N 4.148 123.652 119.800 -0.492 0.000 2.377 135 Q HA 0.409 4.750 4.340 0.001 0.000 0.271 135 Q C -1.569 173.940 176.000 -0.819 0.000 1.077 135 Q CA -1.083 54.410 55.803 -0.517 0.000 0.820 135 Q CB 2.910 31.448 28.738 -0.333 0.000 1.347 135 Q HN 0.737 nan 8.270 nan 0.000 0.444 136 E N 0.755 120.401 120.200 -0.922 0.000 2.275 136 E HA 0.459 4.809 4.350 0.001 0.000 0.270 136 E C -1.601 174.631 176.600 -0.613 0.000 0.882 136 E CA -0.307 55.670 56.400 -0.704 0.000 0.758 136 E CB 2.058 31.378 29.700 -0.633 0.000 1.195 136 E HN 0.431 nan 8.360 nan 0.000 0.419 137 T N 3.355 117.651 114.554 -0.429 0.000 2.886 137 T HA 0.548 4.899 4.350 0.001 0.000 0.292 137 T C -0.782 173.575 174.700 -0.571 0.000 1.012 137 T CA -0.745 61.049 62.100 -0.510 0.000 0.982 137 T CB 1.170 69.817 68.868 -0.369 0.000 1.018 137 T HN 0.337 nan 8.240 nan 0.000 0.451 138 R N 1.508 121.539 120.500 -0.782 0.000 2.628 138 R HA 0.713 5.054 4.340 0.001 0.000 0.288 138 R C -1.571 174.173 176.300 -0.927 0.000 0.980 138 R CA -0.743 54.957 56.100 -0.667 0.000 0.891 138 R CB 1.717 31.805 30.300 -0.353 0.000 1.188 138 R HN 0.434 nan 8.270 nan 0.000 0.450 139 F N -0.210 119.607 119.950 -0.222 0.000 2.565 139 F HA 0.508 5.035 4.527 0.001 0.000 0.313 139 F C 0.108 175.541 175.800 -0.613 0.000 1.091 139 F CA -0.790 56.933 58.000 -0.462 0.000 0.915 139 F CB 2.540 41.202 39.000 -0.563 0.000 1.208 139 F HN 0.279 nan 8.300 nan 0.000 0.453 140 S N 2.559 117.863 115.700 -0.661 0.000 2.557 140 S HA 0.685 5.156 4.470 0.001 0.000 0.291 140 S C -1.651 172.598 174.600 -0.584 0.000 1.116 140 S CA -0.438 57.412 58.200 -0.583 0.000 0.992 140 S CB 0.869 63.596 63.200 -0.787 0.000 1.028 140 S HN 0.588 nan 8.310 nan 0.000 0.484 141 W N 1.529 122.689 121.300 -0.234 0.000 2.902 141 W HA 0.505 5.166 4.660 0.001 0.000 0.346 141 W C -0.899 175.600 176.519 -0.034 0.000 1.139 141 W CA -0.811 56.475 57.345 -0.098 0.000 1.139 141 W CB 2.054 31.467 29.460 -0.078 0.000 1.439 141 W HN 0.436 nan 8.180 nan 0.000 0.558 142 T N 1.389 116.169 114.554 0.376 0.000 3.050 142 T HA 0.432 4.783 4.350 0.001 0.000 0.310 142 T C -0.411 174.499 174.700 0.350 0.000 0.978 142 T CA -0.437 61.859 62.100 0.327 0.000 1.013 142 T CB 1.307 70.301 68.868 0.210 0.000 1.000 142 T HN 0.444 nan 8.240 nan 0.000 0.447 143 A N 3.277 126.313 122.820 0.359 0.000 2.362 143 A HA 0.708 5.029 4.320 0.001 0.000 0.276 143 A C 0.693 178.305 177.584 0.046 0.000 1.153 143 A CA -0.487 51.638 52.037 0.145 0.000 0.813 143 A CB -0.004 18.896 19.000 -0.165 0.000 1.081 143 A HN 0.836 nan 8.150 nan 0.000 0.507 144 T N 0.102 114.720 114.554 0.107 0.000 2.893 144 T HA 0.742 5.093 4.350 0.001 0.000 0.291 144 T C 0.713 175.527 174.700 0.190 0.000 1.028 144 T CA 0.275 62.435 62.100 0.101 0.000 0.995 144 T CB 1.311 70.234 68.868 0.092 0.000 1.051 144 T HN 2.494 nan 8.240 nan 0.000 0.470 145 G N 1.752 110.672 108.800 0.200 0.000 2.591 145 G HA2 0.238 4.199 3.960 0.001 0.000 0.298 145 G HA3 0.238 4.199 3.960 0.001 0.000 0.298 145 G C 0.872 176.049 174.900 0.462 0.000 1.195 145 G CA 0.961 46.232 45.100 0.285 0.000 0.989 145 G HN 2.786 nan 8.290 nan 0.000 0.551 146 G N -1.967 106.974 108.800 0.236 0.000 2.642 146 G HA2 0.382 4.343 3.960 0.001 0.000 0.231 146 G HA3 0.382 4.343 3.960 0.001 0.000 0.231 146 G C 0.466 175.306 174.900 -0.100 0.000 1.338 146 G CA 1.644 46.761 45.100 0.029 0.000 0.883 146 G HN 2.898 nan 8.290 nan 0.000 0.570 147 S N -1.454 114.015 115.700 -0.385 0.000 2.911 147 S HA 0.947 5.418 4.470 0.001 0.000 0.319 147 S C -0.789 173.384 174.600 -0.712 0.000 1.154 147 S CA 0.180 58.030 58.200 -0.584 0.000 0.857 147 S CB 2.273 65.181 63.200 -0.487 0.000 1.279 147 S HN 2.478 nan 8.310 nan 0.000 0.593 148 Y N -1.613 118.216 120.300 -0.784 0.000 2.521 148 Y HA 0.788 5.339 4.550 0.001 0.000 0.328 148 Y C -0.946 174.567 175.900 -0.645 0.000 1.151 148 Y CA -0.783 56.827 58.100 -0.816 0.000 1.054 148 Y CB 0.932 38.742 38.460 -1.083 0.000 1.338 148 Y HN 0.887 nan 8.280 nan 0.000 0.453 149 S N 2.447 117.901 115.700 -0.410 0.000 2.536 149 S HA 0.828 5.299 4.470 0.001 0.000 0.298 149 S C -2.080 172.475 174.600 -0.075 0.000 1.083 149 S CA -0.347 57.729 58.200 -0.206 0.000 0.995 149 S CB 0.949 64.106 63.200 -0.072 0.000 1.058 149 S HN 0.555 nan 8.310 nan 0.000 0.488 150 Y N 2.256 122.691 120.300 0.225 0.000 2.477 150 Y HA 0.470 5.021 4.550 0.001 0.000 0.347 150 Y C 0.517 176.539 175.900 0.205 0.000 0.981 150 Y CA -1.233 56.994 58.100 0.211 0.000 1.033 150 Y CB 1.249 39.843 38.460 0.223 0.000 1.245 150 Y HN 0.910 nan 8.280 nan 0.000 0.455 151 N N 3.141 122.037 118.700 0.326 0.000 2.714 151 N HA -0.261 4.480 4.740 0.001 0.000 0.253 151 N C -0.795 174.795 175.510 0.132 0.000 1.024 151 N CA 1.178 54.351 53.050 0.206 0.000 0.726 151 N CB -1.149 37.487 38.487 0.247 0.000 0.908 151 N HN 0.811 nan 8.380 nan 0.000 0.542 152 N N -1.205 117.553 118.700 0.098 0.000 2.756 152 N HA -0.143 4.598 4.740 0.001 0.000 0.248 152 N C 0.866 176.389 175.510 0.022 0.000 1.062 152 N CA 1.761 54.828 53.050 0.028 0.000 0.696 152 N CB -1.612 36.869 38.487 -0.009 0.000 0.946 152 N HN 1.184 nan 8.380 nan 0.000 0.548 153 G N -1.343 107.486 108.800 0.048 0.000 2.203 153 G HA2 -0.284 3.676 3.960 0.001 0.000 0.263 153 G HA3 -0.284 3.676 3.960 0.001 0.000 0.263 153 G C 1.268 176.156 174.900 -0.020 0.000 1.012 153 G CA 1.275 46.378 45.100 0.004 0.000 0.749 153 G HN 1.056 nan 8.290 nan 0.000 0.512 154 A N -1.053 121.769 122.820 0.004 0.000 1.883 154 A HA 0.304 4.625 4.320 0.001 0.000 0.217 154 A C 0.961 178.359 177.584 -0.309 0.000 1.186 154 A CA 1.603 53.549 52.037 -0.152 0.000 0.624 154 A CB -0.122 18.807 19.000 -0.118 0.000 0.822 154 A HN 0.889 nan 8.150 nan 0.000 0.444 155 Y N -1.872 118.494 120.300 0.111 0.000 2.393 155 Y HA 0.630 5.181 4.550 0.001 0.000 0.341 155 Y C 0.316 176.236 175.900 0.033 0.000 0.988 155 Y CA -0.465 57.716 58.100 0.135 0.000 1.078 155 Y CB 2.143 40.778 38.460 0.292 0.000 1.203 155 Y HN 0.002 nan 8.280 nan 0.000 0.453 156 T N 0.837 115.401 114.554 0.016 0.000 2.853 156 T HA 0.779 5.130 4.350 0.001 0.000 0.311 156 T C -0.487 173.815 174.700 -0.664 0.000 1.307 156 T CA -0.103 61.743 62.100 -0.424 0.000 1.019 156 T CB 1.891 70.585 68.868 -0.289 0.000 1.264 156 T HN 1.083 nan 8.240 nan 0.000 0.497 157 G N 1.809 109.921 108.800 -1.145 0.000 2.351 157 G HA2 0.299 4.260 3.960 0.001 0.000 0.279 157 G HA3 0.299 4.260 3.960 0.001 0.000 0.279 157 G C -2.066 172.329 174.900 -0.841 0.000 1.297 157 G CA -0.878 43.757 45.100 -0.775 0.000 0.886 157 G HN 0.757 nan 8.290 nan 0.000 0.493 158 N N -0.806 117.678 118.700 -0.360 0.000 2.319 158 N HA 0.675 5.415 4.740 0.001 0.000 0.305 158 N C -1.009 174.501 175.510 0.000 0.000 1.103 158 N CA -0.550 52.368 53.050 -0.221 0.000 0.815 158 N CB 1.965 40.386 38.487 -0.109 0.000 1.288 158 N HN 0.356 nan 8.380 nan 0.000 0.493 159 F N 1.173 121.195 119.950 0.120 0.000 2.396 159 F HA 0.344 4.871 4.527 0.001 0.000 0.343 159 F C -1.570 174.276 175.800 0.075 0.000 1.104 159 F CA -2.212 55.862 58.000 0.124 0.000 1.161 159 F CB 0.919 40.002 39.000 0.139 0.000 1.146 159 F HN 0.201 nan 8.300 nan 0.000 0.522 160 P HA -0.122 nan 4.420 nan 0.000 0.258 160 P C -0.513 176.865 177.300 0.130 0.000 1.172 160 P CA 0.124 63.316 63.100 0.154 0.000 0.762 160 P CB 0.340 32.110 31.700 0.117 0.000 0.764 161 K N 2.962 123.421 120.400 0.097 0.000 2.504 161 K HA 0.055 4.376 4.320 0.001 0.000 0.278 161 K C 1.363 178.004 176.600 0.069 0.000 1.025 161 K CA 1.237 57.573 56.287 0.082 0.000 1.093 161 K CB -0.571 31.964 32.500 0.057 0.000 0.873 161 K HN 0.795 nan 8.250 nan 0.000 0.483 162 G N 2.171 111.015 108.800 0.072 0.000 2.212 162 G HA2 -0.264 3.697 3.960 0.001 0.000 0.266 162 G HA3 -0.264 3.697 3.960 0.001 0.000 0.266 162 G C 0.070 174.991 174.900 0.034 0.000 0.978 162 G CA 0.207 45.339 45.100 0.053 0.000 0.632 162 G HN 0.534 nan 8.290 nan 0.000 0.537 163 V N 1.804 121.739 119.914 0.035 0.000 2.521 163 V HA 0.228 4.349 4.120 0.001 0.000 0.286 163 V C 1.591 177.673 176.094 -0.020 0.000 1.034 163 V CA -0.241 62.058 62.300 -0.002 0.000 1.045 163 V CB 0.953 32.773 31.823 -0.005 0.000 0.974 163 V HN 0.495 nan 8.190 nan 0.000 0.480 164 R N 3.148 123.620 120.500 -0.048 0.000 2.870 164 R HA -0.071 4.269 4.340 0.001 0.000 0.283 164 R C 0.413 176.709 176.300 -0.007 0.000 0.805 164 R CA 0.298 56.369 56.100 -0.048 0.000 1.110 164 R CB 0.142 30.314 30.300 -0.212 0.000 0.900 164 R HN 0.684 nan 8.270 nan 0.000 0.406 165 V N 5.223 125.146 119.914 0.016 0.000 3.097 165 V HA 0.198 4.319 4.120 0.001 0.000 0.223 165 V C 0.424 176.441 176.094 -0.128 0.000 1.199 165 V CA 0.529 62.733 62.300 -0.159 0.000 1.260 165 V CB 0.382 31.961 31.823 -0.407 0.000 1.155 165 V HN 0.537 nan 8.190 nan 0.000 0.509 166 I N 0.738 121.239 120.570 -0.115 0.000 2.533 166 I HA 0.642 4.813 4.170 0.001 0.000 0.290 166 I C -0.002 176.200 176.117 0.141 0.000 1.056 166 I CA -0.182 61.043 61.300 -0.126 0.000 1.057 166 I CB 1.083 39.002 38.000 -0.136 0.000 1.240 166 I HN 0.271 nan 8.210 nan 0.000 0.423 167 G N 4.541 113.323 108.800 -0.030 0.000 2.388 167 G HA2 0.579 4.539 3.960 0.001 0.000 0.330 167 G HA3 0.579 4.539 3.960 0.001 0.000 0.330 167 G C -2.028 172.915 174.900 0.071 0.000 1.142 167 G CA -0.317 44.843 45.100 0.102 0.000 0.908 167 G HN 0.494 nan 8.290 nan 0.000 0.473 168 Y N 2.245 122.404 120.300 -0.234 0.000 2.442 168 Y HA 0.456 5.006 4.550 0.001 0.000 0.330 168 Y C -0.817 174.963 175.900 -0.200 0.000 1.100 168 Y CA -1.278 56.601 58.100 -0.369 0.000 1.034 168 Y CB 1.784 39.624 38.460 -1.034 0.000 1.285 168 Y HN 0.731 nan 8.280 nan 0.000 0.440 169 N N 4.882 123.170 118.700 -0.688 0.000 2.242 169 N HA 0.491 5.232 4.740 0.001 0.000 0.292 169 N C -1.770 173.340 175.510 -0.668 0.000 1.125 169 N CA -0.900 51.844 53.050 -0.510 0.000 0.783 169 N CB 2.938 41.253 38.487 -0.287 0.000 1.558 169 N HN 0.732 nan 8.380 nan 0.000 0.472 170 Q N 0.465 120.044 119.800 -0.368 0.000 2.413 170 Q HA 0.495 4.836 4.340 0.001 0.000 0.276 170 Q C -1.163 174.595 176.000 -0.404 0.000 1.099 170 Q CA -0.826 54.750 55.803 -0.379 0.000 0.814 170 Q CB 3.113 31.765 28.738 -0.143 0.000 1.379 170 Q HN 0.440 nan 8.270 nan 0.000 0.436 171 R N 1.601 121.758 120.500 -0.572 0.000 2.574 171 R HA 0.467 4.808 4.340 0.001 0.000 0.288 171 R C -1.800 174.121 176.300 -0.631 0.000 1.004 171 R CA -0.458 55.358 56.100 -0.474 0.000 0.895 171 R CB 1.099 31.238 30.300 -0.269 0.000 1.191 171 R HN 0.521 nan 8.270 nan 0.000 0.444 172 F N 1.564 121.370 119.950 -0.240 0.000 2.434 172 F HA 0.354 4.882 4.527 0.002 0.000 0.355 172 F C -0.088 175.580 175.800 -0.220 0.000 1.115 172 F CA -0.466 57.384 58.000 -0.250 0.000 1.010 172 F CB 2.158 40.772 39.000 -0.644 0.000 1.234 172 F HN 0.221 nan 8.300 nan 0.000 0.439 173 S N 5.121 120.835 115.700 0.024 0.000 2.501 173 S HA 0.938 5.409 4.470 0.001 0.000 0.301 173 S C -0.525 174.010 174.600 -0.109 0.000 1.096 173 S CA -0.800 57.328 58.200 -0.120 0.000 1.063 173 S CB 1.764 64.986 63.200 0.036 0.000 1.042 173 S HN 0.621 nan 8.310 nan 0.000 0.494 174 M N -0.024 119.325 119.600 -0.418 0.000 2.389 174 M HA 0.487 4.968 4.480 0.001 0.000 0.291 174 M C -3.499 172.687 176.300 -0.190 0.000 1.128 174 M CA -1.668 53.535 55.300 -0.161 0.000 0.942 174 M CB 1.618 34.157 32.600 -0.102 0.000 1.783 174 M HN 0.195 nan 8.290 nan 0.000 0.501 175 P HA 0.464 nan 4.420 nan 0.000 0.284 175 P C -1.881 175.601 177.300 0.303 0.000 1.253 175 P CA -0.053 63.165 63.100 0.198 0.000 0.800 175 P CB 0.348 32.127 31.700 0.131 0.000 0.961 176 Y N 1.462 121.831 120.300 0.116 0.000 2.609 176 Y HA 0.819 5.370 4.550 0.001 0.000 0.342 176 Y C -1.425 174.488 175.900 0.022 0.000 1.058 176 Y CA -1.445 56.723 58.100 0.113 0.000 1.055 176 Y CB 1.015 39.465 38.460 -0.016 0.000 1.292 176 Y HN 0.070 nan 8.280 nan 0.000 0.476 177 I N 1.090 121.715 120.570 0.091 0.000 2.934 177 I HA 0.904 5.075 4.170 0.001 0.000 0.306 177 I C 0.174 175.982 176.117 -0.515 0.000 1.110 177 I CA -0.722 60.471 61.300 -0.178 0.000 1.019 177 I CB 1.576 39.479 38.000 -0.161 0.000 1.227 177 I HN 1.060 nan 8.210 nan 0.000 0.434 178 G N 3.290 111.878 108.800 -0.353 0.000 2.548 178 G HA2 0.596 4.557 3.960 0.001 0.000 0.301 178 G HA3 0.596 4.557 3.960 0.001 0.000 0.301 178 G C -2.201 172.759 174.900 0.100 0.000 1.349 178 G CA -0.461 44.496 45.100 -0.238 0.000 0.792 178 G HN 0.265 nan 8.290 nan 0.000 0.481 179 L N 0.055 121.465 121.223 0.311 0.000 2.354 179 L HA 0.930 5.271 4.340 0.001 0.000 0.269 179 L C 0.151 177.171 176.870 0.249 0.000 1.005 179 L CA -0.854 54.155 54.840 0.280 0.000 0.819 179 L CB 1.286 43.556 42.059 0.352 0.000 1.311 179 L HN 1.204 nan 8.230 nan 0.000 0.423 180 A N 0.935 123.878 122.820 0.204 0.000 2.547 180 A HA 0.873 5.194 4.320 0.001 0.000 0.297 180 A C -0.547 177.272 177.584 0.390 0.000 1.056 180 A CA -0.030 52.155 52.037 0.246 0.000 0.688 180 A CB 1.991 21.071 19.000 0.133 0.000 1.282 180 A HN 0.812 nan 8.150 nan 0.000 0.400 181 G N -0.270 108.777 108.800 0.412 0.000 2.733 181 G HA2 0.687 4.647 3.960 0.001 0.000 0.288 181 G HA3 0.687 4.647 3.960 0.001 0.000 0.288 181 G C -1.270 173.830 174.900 0.334 0.000 1.373 181 G CA -0.374 44.980 45.100 0.425 0.000 0.895 181 G HN 0.884 nan 8.290 nan 0.000 0.479 182 Q N -1.208 118.718 119.800 0.210 0.000 2.482 182 Q HA 0.522 4.863 4.340 0.001 0.000 0.286 182 Q C -2.461 173.597 176.000 0.096 0.000 1.007 182 Q CA -0.890 54.979 55.803 0.109 0.000 0.801 182 Q CB 2.968 31.668 28.738 -0.064 0.000 1.455 182 Q HN 0.671 nan 8.270 nan 0.000 0.398 183 Y N 1.702 121.920 120.300 -0.137 0.000 2.278 183 Y HA 0.383 4.934 4.550 0.001 0.000 0.328 183 Y C -1.907 173.872 175.900 -0.201 0.000 1.166 183 Y CA -0.457 57.427 58.100 -0.359 0.000 1.211 183 Y CB 1.070 39.280 38.460 -0.417 0.000 1.167 183 Y HN 0.678 nan 8.280 nan 0.000 0.434 184 R N 7.203 127.392 120.500 -0.519 0.000 2.229 184 R HA 0.496 4.837 4.340 0.001 0.000 0.332 184 R C -1.259 174.678 176.300 -0.605 0.000 0.989 184 R CA -0.484 55.360 56.100 -0.426 0.000 0.842 184 R CB 0.676 30.842 30.300 -0.224 0.000 1.119 184 R HN 0.739 nan 8.270 nan 0.000 0.456 185 I N 6.649 126.885 120.570 -0.557 0.000 2.377 185 I HA 0.115 4.286 4.170 0.001 0.000 0.282 185 I C -0.303 175.745 176.117 -0.115 0.000 1.091 185 I CA 0.244 61.313 61.300 -0.385 0.000 1.207 185 I CB -0.845 36.904 38.000 -0.418 0.000 1.429 185 I HN 0.983 nan 8.210 nan 0.000 0.491 186 N N 4.276 122.918 118.700 -0.097 0.000 3.267 186 N HA -0.304 4.437 4.740 0.001 0.000 0.194 186 N C 0.292 175.802 175.510 0.000 0.000 0.368 186 N CA 2.302 55.333 53.050 -0.032 0.000 2.017 186 N CB -0.728 37.775 38.487 0.026 0.000 1.401 186 N HN 0.600 nan 8.380 nan 0.000 0.383 187 D N -0.648 119.819 120.400 0.112 0.000 2.433 187 D HA 0.181 4.821 4.640 0.001 0.000 0.211 187 D C -0.639 175.804 176.300 0.239 0.000 1.114 187 D CA -0.081 54.057 54.000 0.229 0.000 0.837 187 D CB 0.358 41.325 40.800 0.277 0.000 0.984 187 D HN 0.186 nan 8.370 nan 0.000 0.505 188 F N 1.969 121.858 119.950 -0.101 0.000 2.421 188 F HA 0.302 4.830 4.527 0.001 0.000 0.337 188 F C -0.169 175.459 175.800 -0.288 0.000 1.105 188 F CA -0.560 57.166 58.000 -0.457 0.000 1.049 188 F CB 1.552 40.220 39.000 -0.554 0.000 1.139 188 F HN -0.346 nan 8.300 nan 0.000 0.479 189 E N 7.511 127.525 120.200 -0.309 0.000 2.260 189 E HA 0.367 4.717 4.350 0.001 0.000 0.266 189 E C -2.197 174.372 176.600 -0.051 0.000 0.887 189 E CA -0.859 55.526 56.400 -0.026 0.000 0.777 189 E CB 2.065 31.791 29.700 0.042 0.000 1.205 189 E HN 0.787 nan 8.360 nan 0.000 0.414 190 L N 4.712 126.110 121.223 0.290 0.000 2.342 190 L HA 0.636 4.977 4.340 0.001 0.000 0.271 190 L C -1.443 175.546 176.870 0.198 0.000 1.008 190 L CA -0.285 54.731 54.840 0.293 0.000 0.818 190 L CB 1.510 43.867 42.059 0.497 0.000 1.296 190 L HN 0.675 nan 8.230 nan 0.000 0.427 191 N N 3.299 122.099 118.700 0.166 0.000 2.405 191 N HA 0.783 5.524 4.740 0.001 0.000 0.274 191 N C -1.836 173.788 175.510 0.190 0.000 1.170 191 N CA -0.972 52.186 53.050 0.180 0.000 0.848 191 N CB 2.027 40.610 38.487 0.160 0.000 1.629 191 N HN 0.734 nan 8.380 nan 0.000 0.481 192 A N 1.115 124.066 122.820 0.219 0.000 2.449 192 A HA 0.741 5.062 4.320 0.001 0.000 0.302 192 A C -1.474 176.255 177.584 0.242 0.000 1.048 192 A CA -0.534 51.635 52.037 0.221 0.000 0.708 192 A CB 1.516 20.644 19.000 0.214 0.000 1.274 192 A HN 0.537 nan 8.150 nan 0.000 0.410 193 L N 1.011 122.375 121.223 0.235 0.000 2.333 193 L HA 0.804 5.145 4.340 0.001 0.000 0.269 193 L C -1.054 176.009 176.870 0.320 0.000 1.010 193 L CA -0.404 54.581 54.840 0.242 0.000 0.818 193 L CB 1.923 44.083 42.059 0.168 0.000 1.306 193 L HN 0.697 nan 8.230 nan 0.000 0.430 194 F N 1.975 122.030 119.950 0.175 0.000 2.539 194 F HA 0.610 5.138 4.527 0.001 0.000 0.318 194 F C -0.998 174.938 175.800 0.227 0.000 1.135 194 F CA -0.633 57.494 58.000 0.211 0.000 0.915 194 F CB 1.238 40.386 39.000 0.248 0.000 1.176 194 F HN 0.298 nan 8.300 nan 0.000 0.440 195 K N 6.356 126.421 120.400 -0.559 0.000 2.259 195 K HA 0.696 5.017 4.320 0.001 0.000 0.252 195 K C -1.566 174.755 176.600 -0.464 0.000 0.936 195 K CA -0.566 55.460 56.287 -0.435 0.000 0.810 195 K CB 1.910 34.172 32.500 -0.397 0.000 1.143 195 K HN 0.467 nan 8.250 nan 0.000 0.427 196 F N -1.531 118.323 119.950 -0.160 0.000 2.599 196 F HA 0.771 5.299 4.527 0.001 0.000 0.311 196 F C -0.449 175.446 175.800 0.160 0.000 1.076 196 F CA -1.179 56.781 58.000 -0.067 0.000 0.937 196 F CB 1.992 40.958 39.000 -0.057 0.000 1.282 196 F HN 0.359 nan 8.300 nan 0.000 0.460 197 S N 0.066 115.911 115.700 0.242 0.000 2.543 197 S HA 0.405 4.876 4.470 0.001 0.000 0.271 197 S C -1.133 173.207 174.600 -0.434 0.000 1.148 197 S CA -0.570 57.583 58.200 -0.079 0.000 0.914 197 S CB 1.404 64.711 63.200 0.178 0.000 1.096 197 S HN 0.660 nan 8.310 nan 0.000 0.471 198 D N 2.482 122.062 120.400 -1.367 0.000 2.349 198 D HA 0.255 4.896 4.640 0.001 0.000 0.214 198 D C -0.090 175.729 176.300 -0.802 0.000 1.063 198 D CA 0.348 53.702 54.000 -1.077 0.000 0.847 198 D CB 0.260 40.380 40.800 -1.134 0.000 0.933 198 D HN 0.615 nan 8.370 nan 0.000 0.513 199 W N 1.372 122.748 121.300 0.126 0.000 1.894 199 W HA 0.321 4.982 4.660 0.001 0.000 0.342 199 W C -0.456 176.124 176.519 0.101 0.000 0.861 199 W CA -0.609 56.798 57.345 0.104 0.000 2.584 199 W CB -0.388 29.129 29.460 0.094 0.000 1.373 199 W HN -0.326 nan 8.180 nan 0.000 0.599 200 V N 2.157 122.193 119.914 0.203 0.000 2.740 200 V HA 0.111 4.232 4.120 0.001 0.000 0.303 200 V C 0.629 176.842 176.094 0.199 0.000 1.054 200 V CA 0.274 62.698 62.300 0.207 0.000 1.106 200 V CB 0.805 32.773 31.823 0.241 0.000 0.957 200 V HN 0.092 nan 8.190 nan 0.000 0.486 201 R N 2.545 123.157 120.500 0.186 0.000 2.371 201 R HA 0.660 5.001 4.340 0.001 0.000 0.312 201 R C -0.562 175.789 176.300 0.086 0.000 0.980 201 R CA -0.236 55.940 56.100 0.125 0.000 0.867 201 R CB 1.592 31.995 30.300 0.172 0.000 1.163 201 R HN 0.886 nan 8.270 nan 0.000 0.492 202 A N 2.961 125.759 122.820 -0.037 0.000 2.337 202 A HA 0.626 4.947 4.320 0.001 0.000 0.329 202 A C -1.217 176.132 177.584 -0.392 0.000 1.146 202 A CA -0.586 51.366 52.037 -0.141 0.000 0.800 202 A CB 0.819 19.840 19.000 0.034 0.000 1.220 202 A HN 0.779 nan 8.150 nan 0.000 0.472 203 H N 0.314 119.226 119.070 -0.263 0.000 2.768 203 H HA 0.621 5.177 4.556 0.001 0.000 0.371 203 H C -1.209 173.963 175.328 -0.260 0.000 1.151 203 H CA -0.452 55.485 56.048 -0.186 0.000 1.165 203 H CB 1.954 31.623 29.762 -0.155 0.000 1.722 203 H HN 0.822 nan 8.280 nan 0.000 0.543 204 D N 0.812 121.181 120.400 -0.052 0.000 2.596 204 D HA 0.301 4.942 4.640 0.001 0.000 0.234 204 D C -0.926 175.326 176.300 -0.081 0.000 1.181 204 D CA -0.898 53.002 54.000 -0.167 0.000 0.856 204 D CB 1.450 42.166 40.800 -0.140 0.000 1.498 204 D HN 0.394 nan 8.370 nan 0.000 0.446 205 N N 0.589 119.176 118.700 -0.187 0.000 2.295 205 N HA 0.338 5.079 4.740 0.001 0.000 0.293 205 N C -1.907 173.631 175.510 0.047 0.000 1.040 205 N CA -0.448 52.577 53.050 -0.042 0.000 0.840 205 N CB 2.294 40.740 38.487 -0.070 0.000 1.468 205 N HN 0.547 nan 8.380 nan 0.000 0.478 206 D N 1.585 122.114 120.400 0.214 0.000 2.787 206 D HA 0.272 4.913 4.640 0.001 0.000 0.246 206 D C -1.270 175.149 176.300 0.199 0.000 1.150 206 D CA -0.203 54.008 54.000 0.351 0.000 0.864 206 D CB 1.576 42.729 40.800 0.589 0.000 1.481 206 D HN 0.281 nan 8.370 nan 0.000 0.509 207 E N 1.847 122.043 120.200 -0.007 0.000 2.141 207 E HA 0.227 4.578 4.350 0.001 0.000 0.259 207 E C -0.960 175.390 176.600 -0.417 0.000 0.883 207 E CA -0.572 55.623 56.400 -0.342 0.000 0.744 207 E CB 0.997 30.271 29.700 -0.709 0.000 1.150 207 E HN 0.275 nan 8.360 nan 0.000 0.420 208 H N 2.842 121.774 119.070 -0.231 0.000 2.982 208 H HA 0.119 4.676 4.556 0.001 0.000 0.261 208 H C 0.191 175.448 175.328 -0.117 0.000 1.603 208 H CA 0.012 55.999 56.048 -0.102 0.000 1.398 208 H CB -0.233 29.602 29.762 0.121 0.000 1.693 208 H HN 0.720 nan 8.280 nan 0.000 0.535 209 Y N 1.057 121.359 120.300 0.003 0.000 2.128 209 Y HA -0.296 4.255 4.550 0.001 0.000 0.284 209 Y C 2.080 177.961 175.900 -0.032 0.000 1.154 209 Y CA 0.874 58.961 58.100 -0.023 0.000 1.149 209 Y CB -0.075 38.354 38.460 -0.051 0.000 0.976 209 Y HN 0.515 nan 8.280 nan 0.000 0.505 210 M N -0.374 119.282 119.600 0.094 0.000 2.630 210 M HA -0.106 4.375 4.480 0.001 0.000 0.254 210 M C 1.131 177.454 176.300 0.038 0.000 1.092 210 M CA 1.381 56.696 55.300 0.025 0.000 1.087 210 M CB -0.042 32.518 32.600 -0.066 0.000 1.453 210 M HN 0.262 nan 8.290 nan 0.000 0.509 211 R N -0.543 119.999 120.500 0.070 0.000 2.404 211 R HA 0.096 4.437 4.340 0.001 0.000 0.237 211 R C -0.437 175.883 176.300 0.033 0.000 0.907 211 R CA -0.061 56.078 56.100 0.064 0.000 1.063 211 R CB 0.470 30.842 30.300 0.121 0.000 1.134 211 R HN 0.162 nan 8.270 nan 0.000 0.529 212 D N 1.404 121.826 120.400 0.036 0.000 2.699 212 D HA -0.145 4.496 4.640 0.001 0.000 0.239 212 D C -0.812 175.457 176.300 -0.051 0.000 1.136 212 D CA 1.092 55.097 54.000 0.009 0.000 0.668 212 D CB -1.123 39.680 40.800 0.005 0.000 1.060 212 D HN 0.250 nan 8.370 nan 0.000 0.429 213 L N -0.844 120.319 121.223 -0.101 0.000 2.388 213 L HA 0.619 4.959 4.340 0.001 0.000 0.264 213 L C 0.375 176.974 176.870 -0.451 0.000 0.998 213 L CA -0.611 54.051 54.840 -0.297 0.000 0.817 213 L CB 2.552 44.391 42.059 -0.367 0.000 1.338 213 L HN -0.200 nan 8.230 nan 0.000 0.414 214 T N 1.294 115.481 114.554 -0.612 0.000 2.886 214 T HA 0.714 5.065 4.350 0.001 0.000 0.292 214 T C -1.162 173.136 174.700 -0.671 0.000 1.012 214 T CA -0.316 61.488 62.100 -0.493 0.000 0.982 214 T CB 0.996 69.735 68.868 -0.214 0.000 1.018 214 T HN 0.177 nan 8.240 nan 0.000 0.451 215 F N 1.772 121.727 119.950 0.009 0.000 2.546 215 F HA 0.799 5.327 4.527 0.001 0.000 0.320 215 F C 0.310 176.128 175.800 0.031 0.000 1.076 215 F CA -1.229 56.782 58.000 0.019 0.000 0.928 215 F CB 1.691 40.705 39.000 0.023 0.000 1.189 215 F HN 0.265 nan 8.300 nan 0.000 0.465 216 R N 1.615 122.245 120.500 0.216 0.000 2.518 216 R HA 0.493 4.834 4.340 0.001 0.000 0.296 216 R C -1.817 174.555 176.300 0.120 0.000 1.080 216 R CA -0.383 55.795 56.100 0.131 0.000 0.922 216 R CB 1.030 31.377 30.300 0.079 0.000 1.184 216 R HN 0.621 nan 8.270 nan 0.000 0.445 217 E N 2.418 122.682 120.200 0.106 0.000 2.183 217 E HA 0.426 4.777 4.350 0.001 0.000 0.271 217 E C -1.241 175.371 176.600 0.020 0.000 0.919 217 E CA -0.701 55.743 56.400 0.073 0.000 0.781 217 E CB 1.854 31.605 29.700 0.084 0.000 1.140 217 E HN 0.300 nan 8.360 nan 0.000 0.402 218 K N 1.134 121.520 120.400 -0.024 0.000 2.376 218 K HA 0.526 4.847 4.320 0.001 0.000 0.257 218 K C -1.111 175.402 176.600 -0.145 0.000 0.939 218 K CA -0.370 55.813 56.287 -0.172 0.000 0.809 218 K CB 1.640 34.097 32.500 -0.072 0.000 1.121 218 K HN 0.405 nan 8.250 nan 0.000 0.425 219 T N 1.113 115.535 114.554 -0.219 0.000 2.912 219 T HA 0.561 4.911 4.350 0.001 0.000 0.288 219 T C -1.269 173.390 174.700 -0.068 0.000 1.030 219 T CA -0.477 61.577 62.100 -0.077 0.000 1.020 219 T CB 1.581 70.449 68.868 0.000 0.000 1.056 219 T HN 0.459 nan 8.240 nan 0.000 0.480 220 S N 0.078 115.786 115.700 0.012 0.000 2.588 220 S HA 0.620 5.091 4.470 0.001 0.000 0.275 220 S C 0.652 175.305 174.600 0.089 0.000 1.130 220 S CA 0.424 58.657 58.200 0.055 0.000 0.855 220 S CB 1.227 64.460 63.200 0.055 0.000 1.116 220 S HN 1.356 nan 8.310 nan 0.000 0.472 221 G N 1.719 110.594 108.800 0.126 0.000 2.153 221 G HA2 -0.255 3.705 3.960 0.001 0.000 0.252 221 G HA3 -0.255 3.705 3.960 0.001 0.000 0.252 221 G C 0.136 175.085 174.900 0.082 0.000 0.994 221 G CA 0.510 45.685 45.100 0.125 0.000 0.698 221 G HN 1.474 nan 8.290 nan 0.000 0.521 222 S N -0.363 115.397 115.700 0.100 0.000 2.632 222 S HA 0.830 5.301 4.470 0.001 0.000 0.267 222 S C 0.601 175.240 174.600 0.065 0.000 1.276 222 S CA -0.701 57.556 58.200 0.096 0.000 0.998 222 S CB 1.840 65.133 63.200 0.154 0.000 0.953 222 S HN 0.517 nan 8.310 nan 0.000 0.547 223 R N 0.144 120.678 120.500 0.057 0.000 2.700 223 R HA 0.594 4.934 4.340 0.001 0.000 0.253 223 R C -1.052 175.308 176.300 0.100 0.000 1.091 223 R CA -0.705 55.409 56.100 0.024 0.000 1.104 223 R CB 0.340 30.643 30.300 0.006 0.000 1.202 223 R HN 0.942 nan 8.270 nan 0.000 0.532 224 Y N 0.064 120.302 120.300 -0.102 0.000 2.521 224 Y HA 0.432 4.983 4.550 0.001 0.000 0.328 224 Y C -1.981 173.852 175.900 -0.113 0.000 1.151 224 Y CA -1.168 56.792 58.100 -0.232 0.000 1.054 224 Y CB 1.244 39.446 38.460 -0.430 0.000 1.338 224 Y HN 0.658 nan 8.280 nan 0.000 0.453 225 Y N 2.624 122.278 120.300 -1.076 0.000 2.570 225 Y HA 1.053 5.604 4.550 0.001 0.000 0.345 225 Y C -0.489 174.568 175.900 -1.405 0.000 1.014 225 Y CA -1.076 56.361 58.100 -1.106 0.000 1.063 225 Y CB 2.094 40.353 38.460 -0.335 0.000 1.272 225 Y HN 0.904 nan 8.280 nan 0.000 0.477 226 G N 0.111 108.346 108.800 -0.941 0.000 2.684 226 G HA2 0.537 4.498 3.960 0.001 0.000 0.290 226 G HA3 0.537 4.498 3.960 0.001 0.000 0.290 226 G C -1.828 172.991 174.900 -0.135 0.000 1.425 226 G CA -0.906 43.872 45.100 -0.537 0.000 0.822 226 G HN 0.772 nan 8.290 nan 0.000 0.482 227 T N -1.255 113.340 114.554 0.070 0.000 2.883 227 T HA 0.679 5.030 4.350 0.001 0.000 0.296 227 T C -1.548 173.220 174.700 0.113 0.000 1.117 227 T CA -0.320 61.901 62.100 0.202 0.000 1.006 227 T CB 1.961 71.053 68.868 0.373 0.000 1.191 227 T HN 0.771 nan 8.240 nan 0.000 0.508 228 V N 3.678 123.684 119.914 0.153 0.000 2.655 228 V HA 0.575 4.695 4.120 0.001 0.000 0.301 228 V C -1.075 175.131 176.094 0.188 0.000 1.082 228 V CA -0.648 61.725 62.300 0.122 0.000 0.899 228 V CB 1.646 33.522 31.823 0.088 0.000 1.014 228 V HN 0.759 nan 8.190 nan 0.000 0.429 229 I N 5.947 126.654 120.570 0.229 0.000 2.512 229 I HA 0.519 4.690 4.170 0.001 0.000 0.287 229 I C -0.494 175.755 176.117 0.221 0.000 1.069 229 I CA -0.342 61.104 61.300 0.244 0.000 1.056 229 I CB 1.953 40.134 38.000 0.302 0.000 1.229 229 I HN 0.805 nan 8.210 nan 0.000 0.429 230 N N 5.201 123.994 118.700 0.155 0.000 2.321 230 N HA 0.871 5.612 4.740 0.001 0.000 0.290 230 N C -1.584 173.980 175.510 0.090 0.000 1.212 230 N CA -0.732 52.393 53.050 0.125 0.000 0.767 230 N CB 3.049 41.553 38.487 0.029 0.000 1.494 230 N HN 0.534 nan 8.380 nan 0.000 0.479 231 A N 0.287 123.144 122.820 0.062 0.000 2.393 231 A HA 0.842 5.163 4.320 0.001 0.000 0.306 231 A C -0.485 176.924 177.584 -0.293 0.000 1.050 231 A CA -0.485 51.473 52.037 -0.132 0.000 0.724 231 A CB 1.627 20.676 19.000 0.081 0.000 1.248 231 A HN 0.919 nan 8.150 nan 0.000 0.424 232 G N -0.220 108.163 108.800 -0.694 0.000 2.672 232 G HA2 0.617 4.578 3.960 0.001 0.000 0.292 232 G HA3 0.617 4.578 3.960 0.001 0.000 0.292 232 G C -1.971 172.448 174.900 -0.802 0.000 1.375 232 G CA -0.441 44.373 45.100 -0.476 0.000 0.890 232 G HN 0.527 nan 8.290 nan 0.000 0.476 233 Y N -0.547 119.556 120.300 -0.328 0.000 2.391 233 Y HA 0.397 4.948 4.550 0.001 0.000 0.341 233 Y C -0.789 174.999 175.900 -0.187 0.000 0.965 233 Y CA -0.544 57.439 58.100 -0.194 0.000 1.067 233 Y CB 2.290 40.700 38.460 -0.083 0.000 1.199 233 Y HN 0.485 nan 8.280 nan 0.000 0.450 234 Y N 3.424 123.785 120.300 0.101 0.000 2.640 234 Y HA 0.105 4.656 4.550 0.001 0.000 0.355 234 Y C 1.362 177.318 175.900 0.093 0.000 1.088 234 Y CA -0.363 57.782 58.100 0.076 0.000 1.443 234 Y CB 0.371 38.853 38.460 0.037 0.000 1.224 234 Y HN 0.599 nan 8.280 nan 0.000 0.516 235 V N -0.125 119.880 119.914 0.152 0.000 2.667 235 V HA -0.031 4.090 4.120 0.001 0.000 0.252 235 V C 0.851 177.013 176.094 0.114 0.000 1.065 235 V CA 1.415 63.779 62.300 0.105 0.000 1.083 235 V CB -0.618 31.233 31.823 0.047 0.000 0.692 235 V HN 0.680 nan 8.190 nan 0.000 0.468 236 T N -4.691 109.955 114.554 0.154 0.000 2.838 236 T HA 0.592 4.943 4.350 0.001 0.000 0.292 236 T C -2.538 172.287 174.700 0.208 0.000 1.113 236 T CA -1.331 60.857 62.100 0.147 0.000 1.008 236 T CB 1.559 70.498 68.868 0.119 0.000 1.259 236 T HN 0.002 nan 8.240 nan 0.000 0.520 237 P HA 0.111 nan 4.420 nan 0.000 0.225 237 P C 0.765 178.151 177.300 0.144 0.000 1.148 237 P CA 0.707 63.859 63.100 0.086 0.000 0.779 237 P CB 0.065 31.787 31.700 0.037 0.000 0.780 238 N N -1.480 117.354 118.700 0.222 0.000 2.184 238 N HA 0.200 4.940 4.740 0.001 0.000 0.206 238 N C 0.182 175.914 175.510 0.369 0.000 1.151 238 N CA 0.082 53.282 53.050 0.251 0.000 0.878 238 N CB 1.045 39.704 38.487 0.287 0.000 1.014 238 N HN 0.004 nan 8.380 nan 0.000 0.512 239 A N 0.946 123.961 122.820 0.326 0.000 2.343 239 A HA 0.499 4.820 4.320 0.001 0.000 0.308 239 A C -0.546 177.061 177.584 0.039 0.000 1.092 239 A CA -0.586 51.577 52.037 0.210 0.000 0.751 239 A CB 1.788 20.859 19.000 0.117 0.000 1.203 239 A HN -0.010 nan 8.150 nan 0.000 0.452 240 K N 2.951 123.283 120.400 -0.113 0.000 2.413 240 K HA 0.558 4.879 4.320 0.001 0.000 0.257 240 K C -1.417 175.142 176.600 -0.068 0.000 0.946 240 K CA -0.419 55.662 56.287 -0.343 0.000 0.823 240 K CB 1.600 33.628 32.500 -0.787 0.000 1.109 240 K HN 0.455 nan 8.250 nan 0.000 0.427 241 V N 6.563 126.433 119.914 -0.073 0.000 2.461 241 V HA 0.355 4.476 4.120 0.001 0.000 0.275 241 V C -0.375 175.700 176.094 -0.032 0.000 1.047 241 V CA -0.217 62.031 62.300 -0.086 0.000 0.955 241 V CB -0.076 31.707 31.823 -0.067 0.000 0.988 241 V HN 0.660 nan 8.190 nan 0.000 0.471 242 F N 3.282 123.182 119.950 -0.083 0.000 2.629 242 F HA 0.977 5.505 4.527 0.001 0.000 0.316 242 F C -0.247 175.538 175.800 -0.024 0.000 1.081 242 F CA -1.217 56.729 58.000 -0.090 0.000 0.954 242 F CB 1.700 40.631 39.000 -0.115 0.000 1.337 242 F HN 0.523 nan 8.300 nan 0.000 0.474 243 A N 1.226 124.198 122.820 0.254 0.000 2.355 243 A HA 0.736 5.057 4.320 0.001 0.000 0.324 243 A C -1.321 176.476 177.584 0.354 0.000 1.117 243 A CA -0.611 51.556 52.037 0.218 0.000 0.785 243 A CB 1.617 20.696 19.000 0.131 0.000 1.254 243 A HN 0.965 nan 8.150 nan 0.000 0.453 244 E N 1.042 121.437 120.200 0.326 0.000 2.290 244 E HA 0.542 4.893 4.350 0.001 0.000 0.274 244 E C -2.097 174.678 176.600 0.292 0.000 0.889 244 E CA -0.458 56.123 56.400 0.303 0.000 0.760 244 E CB 1.407 31.293 29.700 0.309 0.000 1.206 244 E HN 0.562 nan 8.360 nan 0.000 0.419 245 F N 2.800 122.834 119.950 0.141 0.000 2.469 245 F HA 0.607 5.135 4.527 0.001 0.000 0.332 245 F C -0.972 174.922 175.800 0.157 0.000 1.103 245 F CA -0.160 57.923 58.000 0.138 0.000 0.979 245 F CB 2.247 41.323 39.000 0.127 0.000 1.137 245 F HN 0.336 nan 8.300 nan 0.000 0.463 246 T N 5.618 119.633 114.554 -0.899 0.000 2.886 246 T HA 0.403 4.754 4.350 0.001 0.000 0.292 246 T C -2.215 171.991 174.700 -0.822 0.000 1.012 246 T CA -0.369 61.367 62.100 -0.607 0.000 0.982 246 T CB 1.016 69.755 68.868 -0.214 0.000 1.018 246 T HN 0.528 nan 8.240 nan 0.000 0.451 247 Y N 1.358 121.359 120.300 -0.498 0.000 2.492 247 Y HA 0.665 5.216 4.550 0.001 0.000 0.346 247 Y C -1.021 174.801 175.900 -0.131 0.000 0.997 247 Y CA -0.733 57.246 58.100 -0.201 0.000 1.025 247 Y CB 1.970 40.466 38.460 0.061 0.000 1.263 247 Y HN 0.576 nan 8.280 nan 0.000 0.454 248 S N 4.816 119.990 115.700 -0.878 0.000 2.668 248 S HA 0.408 4.879 4.470 0.001 0.000 0.277 248 S C -1.708 172.295 174.600 -0.995 0.000 1.170 248 S CA -0.883 56.866 58.200 -0.752 0.000 0.994 248 S CB 1.299 64.391 63.200 -0.180 0.000 1.051 248 S HN 0.547 nan 8.310 nan 0.000 0.484 249 K N 2.637 122.353 120.400 -1.139 0.000 2.358 249 K HA 0.531 4.852 4.320 0.001 0.000 0.260 249 K C -1.980 174.240 176.600 -0.633 0.000 0.956 249 K CA -0.363 55.434 56.287 -0.816 0.000 0.834 249 K CB 0.555 32.482 32.500 -0.955 0.000 1.102 249 K HN 0.544 nan 8.250 nan 0.000 0.431 250 Y N 2.654 122.778 120.300 -0.295 0.000 2.342 250 Y HA 0.261 4.812 4.550 0.001 0.000 0.338 250 Y C 0.046 175.880 175.900 -0.111 0.000 0.965 250 Y CA -0.637 57.322 58.100 -0.235 0.000 1.159 250 Y CB 1.216 39.281 38.460 -0.657 0.000 1.157 250 Y HN 0.545 nan 8.280 nan 0.000 0.486 251 D N 2.614 123.069 120.400 0.091 0.000 2.304 251 D HA -0.015 4.626 4.640 0.001 0.000 0.247 251 D C -0.078 176.313 176.300 0.152 0.000 1.089 251 D CA -0.308 53.756 54.000 0.107 0.000 0.910 251 D CB 1.094 41.950 40.800 0.093 0.000 1.199 251 D HN 0.620 nan 8.370 nan 0.000 0.426 252 E N 0.622 120.908 120.200 0.143 0.000 2.614 252 E HA 0.145 4.496 4.350 0.001 0.000 0.245 252 E C -0.066 176.626 176.600 0.154 0.000 1.039 252 E CA -0.196 56.306 56.400 0.170 0.000 0.948 252 E CB 0.303 30.090 29.700 0.146 0.000 0.937 252 E HN 0.434 nan 8.360 nan 0.000 0.498 253 G N 4.493 113.405 108.800 0.188 0.000 2.400 253 G HA2 0.319 4.280 3.960 0.001 0.000 0.301 253 G HA3 0.319 4.280 3.960 0.001 0.000 0.301 253 G C -0.775 174.206 174.900 0.134 0.000 1.154 253 G CA -0.592 44.596 45.100 0.147 0.000 0.852 253 G HN 0.456 nan 8.290 nan 0.000 0.511 254 K N 0.338 120.794 120.400 0.093 0.000 2.328 254 K HA 0.802 5.123 4.320 0.001 0.000 0.246 254 K C -0.062 176.578 176.600 0.067 0.000 0.955 254 K CA -0.722 55.619 56.287 0.090 0.000 0.817 254 K CB 2.606 35.130 32.500 0.039 0.000 1.208 254 K HN 0.757 nan 8.250 nan 0.000 0.432 255 G N -0.094 108.751 108.800 0.076 0.000 2.494 255 G HA2 0.476 4.436 3.960 0.001 0.000 0.308 255 G HA3 0.476 4.436 3.960 0.001 0.000 0.308 255 G C -1.084 173.856 174.900 0.067 0.000 1.263 255 G CA -0.472 44.662 45.100 0.056 0.000 0.840 255 G HN 0.636 nan 8.290 nan 0.000 0.479 256 G N -1.083 107.751 108.800 0.056 0.000 2.522 256 G HA2 0.662 4.623 3.960 0.001 0.000 0.304 256 G HA3 0.662 4.623 3.960 0.001 0.000 0.304 256 G C -0.042 174.900 174.900 0.069 0.000 1.210 256 G CA 0.534 45.671 45.100 0.061 0.000 0.960 256 G HN 1.441 nan 8.290 nan 0.000 0.497 257 T N -2.316 112.284 114.554 0.076 0.000 2.848 257 T HA 0.579 4.930 4.350 0.001 0.000 0.285 257 T C -0.582 174.184 174.700 0.110 0.000 0.995 257 T CA -0.696 61.462 62.100 0.097 0.000 0.970 257 T CB 1.997 70.918 68.868 0.089 0.000 0.976 257 T HN 0.555 nan 8.240 nan 0.000 0.441 258 Q N 1.752 121.627 119.800 0.124 0.000 2.245 258 Q HA 0.549 4.890 4.340 0.001 0.000 0.256 258 Q C -1.129 174.958 176.000 0.144 0.000 0.942 258 Q CA -0.547 55.320 55.803 0.107 0.000 0.896 258 Q CB 1.491 30.272 28.738 0.072 0.000 1.272 258 Q HN 0.818 nan 8.270 nan 0.000 0.442 259 T N 3.984 118.595 114.554 0.096 0.000 2.841 259 T HA 0.544 4.894 4.350 0.001 0.000 0.283 259 T C -1.080 173.582 174.700 -0.064 0.000 1.000 259 T CA -0.516 61.596 62.100 0.021 0.000 0.977 259 T CB 0.916 69.846 68.868 0.102 0.000 0.979 259 T HN 0.606 nan 8.240 nan 0.000 0.446 260 I N 2.299 122.772 120.570 -0.162 0.000 2.447 260 I HA 0.544 4.715 4.170 0.001 0.000 0.287 260 I C -1.008 175.023 176.117 -0.144 0.000 1.023 260 I CA -0.589 60.640 61.300 -0.117 0.000 1.083 260 I CB 1.545 39.495 38.000 -0.084 0.000 1.245 260 I HN 0.396 nan 8.210 nan 0.000 0.434 261 D N 6.230 126.577 120.400 -0.089 0.000 2.308 261 D HA 0.232 4.872 4.640 0.001 0.000 0.251 261 D C 0.540 176.806 176.300 -0.056 0.000 1.127 261 D CA -0.107 53.848 54.000 -0.074 0.000 0.876 261 D CB 1.261 42.035 40.800 -0.043 0.000 1.176 261 D HN 0.406 nan 8.370 nan 0.000 0.446 262 K N 3.102 123.471 120.400 -0.052 0.000 2.137 262 K HA 0.011 4.331 4.320 0.001 0.000 0.202 262 K C 1.523 178.112 176.600 -0.018 0.000 1.052 262 K CA 0.511 56.780 56.287 -0.030 0.000 0.961 262 K CB -0.479 32.010 32.500 -0.018 0.000 0.741 262 K HN 0.504 nan 8.250 nan 0.000 0.452 263 N N 0.895 119.584 118.700 -0.017 0.000 2.011 263 N HA -0.162 4.579 4.740 0.001 0.000 0.199 263 N C 1.812 177.314 175.510 -0.012 0.000 1.047 263 N CA 1.904 54.947 53.050 -0.012 0.000 0.863 263 N CB -0.085 38.396 38.487 -0.010 0.000 1.056 263 N HN 0.047 nan 8.380 nan 0.000 0.427 264 S N -1.144 114.547 115.700 -0.015 0.000 2.348 264 S HA 0.109 4.580 4.470 0.001 0.000 0.219 264 S C 1.619 176.210 174.600 -0.014 0.000 1.033 264 S CA 1.153 59.345 58.200 -0.013 0.000 0.974 264 S CB 0.156 63.348 63.200 -0.012 0.000 0.868 264 S HN 0.715 nan 8.310 nan 0.000 0.459 265 G N 1.086 109.875 108.800 -0.019 0.000 2.254 265 G HA2 -0.184 3.777 3.960 0.001 0.000 0.225 265 G HA3 -0.184 3.777 3.960 0.001 0.000 0.225 265 G C -0.418 174.471 174.900 -0.018 0.000 1.003 265 G CA 0.041 45.130 45.100 -0.019 0.000 0.622 265 G HN 0.461 nan 8.290 nan 0.000 0.507 266 D N 1.374 121.765 120.400 -0.016 0.000 2.472 266 D HA 0.479 5.120 4.640 0.001 0.000 0.237 266 D C 0.745 177.036 176.300 -0.016 0.000 1.141 266 D CA 1.306 55.299 54.000 -0.011 0.000 0.875 266 D CB 1.285 42.081 40.800 -0.008 0.000 1.192 266 D HN 0.750 nan 8.370 nan 0.000 0.450 267 S N 0.036 115.732 115.700 -0.008 0.000 2.557 267 S HA 0.628 5.098 4.470 0.001 0.000 0.291 267 S C -0.921 173.684 174.600 0.010 0.000 1.116 267 S CA -0.915 57.282 58.200 -0.005 0.000 0.992 267 S CB 1.426 64.622 63.200 -0.006 0.000 1.028 267 S HN 0.103 nan 8.310 nan 0.000 0.484 268 V N 3.107 123.033 119.914 0.020 0.000 2.350 268 V HA 0.463 4.584 4.120 0.001 0.000 0.285 268 V C -0.086 176.037 176.094 0.048 0.000 1.014 268 V CA -0.662 61.657 62.300 0.032 0.000 0.831 268 V CB 1.353 33.196 31.823 0.034 0.000 1.000 268 V HN 0.986 nan 8.190 nan 0.000 0.433 269 S N 6.386 122.112 115.700 0.043 0.000 2.474 269 S HA 0.618 5.089 4.470 0.001 0.000 0.276 269 S C -0.153 174.476 174.600 0.049 0.000 1.227 269 S CA -0.299 57.931 58.200 0.049 0.000 1.050 269 S CB 0.645 63.869 63.200 0.040 0.000 0.939 269 S HN 0.527 nan 8.310 nan 0.000 0.490 270 I N 2.034 122.638 120.570 0.057 0.000 2.607 270 I HA 0.554 4.725 4.170 0.001 0.000 0.305 270 I C 0.817 176.965 176.117 0.050 0.000 0.995 270 I CA -0.739 60.593 61.300 0.052 0.000 1.148 270 I CB 1.890 39.924 38.000 0.056 0.000 1.323 270 I HN 0.683 nan 8.210 nan 0.000 0.461 271 G N 1.844 110.670 108.800 0.044 0.000 2.417 271 G HA2 0.525 4.486 3.960 0.001 0.000 0.334 271 G HA3 0.525 4.486 3.960 0.001 0.000 0.334 271 G C 0.093 175.016 174.900 0.039 0.000 1.150 271 G CA -0.536 44.588 45.100 0.040 0.000 0.923 271 G HN 1.024 nan 8.290 nan 0.000 0.485 272 G N 1.232 110.053 108.800 0.036 0.000 2.392 272 G HA2 0.060 4.021 3.960 0.001 0.000 0.256 272 G HA3 0.060 4.021 3.960 0.001 0.000 0.256 272 G C 0.070 174.986 174.900 0.028 0.000 0.920 272 G CA 0.489 45.605 45.100 0.027 0.000 1.316 272 G HN 1.427 nan 8.290 nan 0.000 0.416 273 D N -1.926 118.498 120.400 0.039 0.000 2.809 273 D HA -0.128 4.513 4.640 0.001 0.000 0.234 273 D C 1.241 177.604 176.300 0.105 0.000 1.111 273 D CA 1.885 55.908 54.000 0.038 0.000 0.726 273 D CB -1.430 39.345 40.800 -0.041 0.000 1.089 273 D HN 1.618 nan 8.370 nan 0.000 0.436 274 A N -0.840 122.067 122.820 0.144 0.000 2.345 274 A HA 0.635 4.955 4.320 0.001 0.000 0.225 274 A C 0.860 178.570 177.584 0.210 0.000 1.243 274 A CA 0.997 53.148 52.037 0.190 0.000 0.875 274 A CB 0.555 19.618 19.000 0.105 0.000 0.929 274 A HN 0.638 nan 8.150 nan 0.000 0.502 275 A N -1.222 121.750 122.820 0.253 0.000 2.549 275 A HA 0.724 5.045 4.320 0.001 0.000 0.297 275 A C -0.126 177.616 177.584 0.262 0.000 1.061 275 A CA -0.005 52.142 52.037 0.183 0.000 0.690 275 A CB 0.900 19.963 19.000 0.105 0.000 1.287 275 A HN 1.018 nan 8.150 nan 0.000 0.402 276 G N -0.291 108.640 108.800 0.217 0.000 2.574 276 G HA2 0.686 4.647 3.960 0.001 0.000 0.299 276 G HA3 0.686 4.647 3.960 0.001 0.000 0.299 276 G C -1.295 173.738 174.900 0.222 0.000 1.298 276 G CA -0.591 44.663 45.100 0.256 0.000 0.952 276 G HN 0.775 nan 8.290 nan 0.000 0.477 277 I N 1.615 122.343 120.570 0.263 0.000 2.599 277 I HA 0.364 4.535 4.170 0.001 0.000 0.285 277 I C -0.280 176.101 176.117 0.441 0.000 1.168 277 I CA -0.564 60.937 61.300 0.335 0.000 1.060 277 I CB 2.063 40.214 38.000 0.252 0.000 1.249 277 I HN 0.649 nan 8.210 nan 0.000 0.442 278 S N 5.078 121.056 115.700 0.463 0.000 2.651 278 S HA 0.718 5.189 4.470 0.001 0.000 0.279 278 S C -1.198 173.619 174.600 0.362 0.000 1.148 278 S CA -0.714 57.719 58.200 0.389 0.000 0.837 278 S CB 3.111 66.492 63.200 0.300 0.000 1.138 278 S HN 0.691 nan 8.310 nan 0.000 0.478 279 N N 0.094 118.883 118.700 0.148 0.000 3.020 279 N HA 0.432 5.173 4.740 0.001 0.000 0.248 279 N C -2.295 173.232 175.510 0.027 0.000 1.480 279 N CA -0.595 52.494 53.050 0.065 0.000 0.874 279 N CB 2.013 40.473 38.487 -0.046 0.000 1.433 279 N HN 0.794 nan 8.380 nan 0.000 0.530 280 K N 1.171 121.536 120.400 -0.057 0.000 2.587 280 K HA 0.328 4.649 4.320 0.001 0.000 0.256 280 K C -1.912 174.468 176.600 -0.366 0.000 0.974 280 K CA -0.353 55.846 56.287 -0.145 0.000 0.855 280 K CB 1.187 33.702 32.500 0.025 0.000 1.292 280 K HN 0.614 nan 8.250 nan 0.000 0.444 281 N N 2.417 120.857 118.700 -0.433 0.000 2.314 281 N HA 0.501 5.242 4.740 0.001 0.000 0.304 281 N C -1.817 173.495 175.510 -0.329 0.000 1.073 281 N CA -0.693 52.104 53.050 -0.421 0.000 0.822 281 N CB 1.280 39.717 38.487 -0.083 0.000 1.280 281 N HN 0.257 nan 8.380 nan 0.000 0.489 282 Y N -0.596 119.748 120.300 0.073 0.000 2.421 282 Y HA 0.442 4.993 4.550 0.001 0.000 0.339 282 Y C -0.095 175.774 175.900 -0.051 0.000 0.996 282 Y CA -1.217 56.931 58.100 0.080 0.000 1.046 282 Y CB 1.422 40.056 38.460 0.291 0.000 1.226 282 Y HN 0.287 nan 8.280 nan 0.000 0.445 283 T N -0.158 114.366 114.554 -0.049 0.000 2.841 283 T HA 0.784 5.135 4.350 0.001 0.000 0.285 283 T C -1.306 173.428 174.700 0.057 0.000 0.991 283 T CA -0.733 61.319 62.100 -0.081 0.000 0.966 283 T CB 1.022 69.715 68.868 -0.292 0.000 0.962 283 T HN 0.475 nan 8.240 nan 0.000 0.438 284 V N 3.203 123.190 119.914 0.121 0.000 2.417 284 V HA 0.811 4.932 4.120 0.001 0.000 0.291 284 V C 0.315 176.464 176.094 0.092 0.000 1.024 284 V CA -0.569 61.836 62.300 0.176 0.000 0.861 284 V CB 1.406 33.344 31.823 0.191 0.000 0.985 284 V HN 1.146 nan 8.190 nan 0.000 0.436 285 T N 3.040 117.661 114.554 0.111 0.000 2.982 285 T HA 0.759 5.110 4.350 0.001 0.000 0.321 285 T C -0.970 173.778 174.700 0.079 0.000 1.229 285 T CA 0.083 62.232 62.100 0.082 0.000 1.044 285 T CB 1.693 70.617 68.868 0.093 0.000 1.184 285 T HN 1.135 nan 8.240 nan 0.000 0.477 286 A N 1.771 124.579 122.820 -0.020 0.000 2.454 286 A HA 1.069 5.390 4.320 0.001 0.000 0.302 286 A C 0.223 177.609 177.584 -0.330 0.000 1.079 286 A CA 0.048 51.983 52.037 -0.170 0.000 0.731 286 A CB 1.738 20.669 19.000 -0.114 0.000 1.299 286 A HN 1.416 nan 8.150 nan 0.000 0.413 287 G N -0.680 107.698 108.800 -0.703 0.000 2.393 287 G HA2 0.526 4.487 3.960 0.001 0.000 0.264 287 G HA3 0.526 4.487 3.960 0.001 0.000 0.264 287 G C -2.142 172.271 174.900 -0.812 0.000 1.221 287 G CA 0.038 44.753 45.100 -0.641 0.000 0.912 287 G HN 1.479 nan 8.290 nan 0.000 0.483 288 L N 0.587 121.553 121.223 -0.428 0.000 2.472 288 L HA 0.731 5.072 4.340 0.001 0.000 0.260 288 L C -1.289 175.710 176.870 0.216 0.000 0.963 288 L CA -0.488 54.283 54.840 -0.114 0.000 0.829 288 L CB 1.918 43.938 42.059 -0.066 0.000 1.348 288 L HN 0.896 nan 8.230 nan 0.000 0.408 289 Q N 3.248 123.223 119.800 0.292 0.000 2.337 289 Q HA 0.455 4.796 4.340 0.001 0.000 0.266 289 Q C -2.258 173.865 176.000 0.204 0.000 1.023 289 Q CA -0.555 55.405 55.803 0.261 0.000 0.829 289 Q CB 2.516 31.366 28.738 0.188 0.000 1.306 289 Q HN 0.576 nan 8.270 nan 0.000 0.449 290 Y N 2.616 122.901 120.300 -0.024 0.000 2.457 290 Y HA 0.518 5.069 4.550 0.001 0.000 0.343 290 Y C -1.702 173.910 175.900 -0.479 0.000 0.994 290 Y CA -1.002 57.011 58.100 -0.145 0.000 1.031 290 Y CB 1.668 40.095 38.460 -0.054 0.000 1.246 290 Y HN 0.731 nan 8.280 nan 0.000 0.449 291 R N 5.722 125.540 120.500 -1.136 0.000 2.621 291 R HA 0.647 4.988 4.340 0.001 0.000 0.292 291 R C -1.597 173.974 176.300 -1.215 0.000 0.969 291 R CA -0.313 55.107 56.100 -1.133 0.000 0.887 291 R CB 1.002 31.061 30.300 -0.402 0.000 1.180 291 R HN 0.579 nan 8.270 nan 0.000 0.450 292 F N 1.085 120.872 119.950 -0.272 0.000 3.064 292 F HA 0.691 5.219 4.527 0.002 0.000 0.322 292 F C 1.072 176.887 175.800 0.024 0.000 1.463 292 F CA -0.985 56.928 58.000 -0.145 0.000 1.044 292 F CB -0.242 38.701 39.000 -0.094 0.000 1.743 292 F HN 0.523 nan 8.300 nan 0.000 0.423 293 G N -1.381 107.645 108.800 0.376 0.000 2.547 293 G HA2 0.544 4.505 3.960 0.001 0.000 0.291 293 G HA3 0.544 4.505 3.960 0.001 0.000 0.291 293 G C -0.731 174.411 174.900 0.402 0.000 1.211 293 G CA -0.379 44.883 45.100 0.270 0.000 0.950 293 G HN 1.091 nan 8.290 nan 0.000 0.504 294 G N -2.392 106.592 108.800 0.306 0.000 2.429 294 G HA2 0.516 4.477 3.960 0.001 0.000 0.300 294 G HA3 0.516 4.477 3.960 0.001 0.000 0.300 294 G C 0.151 175.181 174.900 0.218 0.000 1.598 294 G CA 0.179 45.517 45.100 0.396 0.000 0.863 294 G HN 1.274 nan 8.290 nan 0.000 0.614 295 G N 0.450 109.392 108.800 0.237 0.000 3.211 295 G HA2 0.466 4.427 3.960 0.001 0.000 0.235 295 G HA3 0.466 4.427 3.960 0.001 0.000 0.235 295 G C 1.623 176.637 174.900 0.191 0.000 1.032 295 G CA 1.374 46.575 45.100 0.169 0.000 1.819 295 G HN 2.048 nan 8.290 nan 0.000 0.590 296 G N 0.264 109.135 108.800 0.118 0.000 2.679 296 G HA2 -0.056 3.905 3.960 0.001 0.000 0.373 296 G HA3 -0.056 3.905 3.960 0.001 0.000 0.373 296 G C 1.061 175.905 174.900 -0.093 0.000 1.114 296 G CA 0.964 46.050 45.100 -0.023 0.000 0.898 296 G HN 1.434 nan 8.290 nan 0.000 0.648 297 G N -1.647 107.057 108.800 -0.160 0.000 3.377 297 G HA2 0.714 4.675 3.960 0.001 0.000 0.182 297 G HA3 0.714 4.675 3.960 0.001 0.000 0.182 297 G C 0.482 175.301 174.900 -0.135 0.000 1.166 297 G CA 0.377 45.214 45.100 -0.438 0.000 0.771 297 G HN 1.599 nan 8.290 nan 0.000 0.701 298 G N 0.000 108.780 108.800 -0.034 0.000 5.446 298 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 298 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 298 G CA 0.000 45.259 45.100 0.266 0.000 0.502 298 G HN 0.000 nan 8.290 nan 0.000 0.925