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 1vf7_1_I DATA FIRST_RESID 26 DATA SEQUENCE TLNTELPGRT NAFRIAEVRP QVNGIILKRL FKEGSDVKAG QQLYQIDPAT DATA SEQUENCE YEADYQSAQA NLASTQEQAQ RYKLLVADQA VSKQQYADAN AAYLQSKAAV DATA SEQUENCE EQARINLRYT KVLSPISGRI GRSAVTEGAL VTNGQANAMA TVQQLDPIYV DATA SEQUENCE DVTQPSTALL RLRRELASGQ LERAGDNAAK VSLKLEDGSQ YPLEGRLEFS DATA SEQUENCE EVSVDEGTGS VTIRAVFPNP NNELLPGMFV HAQLQ 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 26 T HA 0.000 nan 4.350 nan 0.000 0.228 26 T C 0.000 174.709 174.700 0.015 0.000 1.109 26 T CA 0.000 62.107 62.100 0.012 0.000 1.349 26 T CB 0.000 68.874 68.868 0.010 0.000 0.612 27 L N 0.794 122.027 121.223 0.016 0.000 2.293 27 L HA 0.738 5.077 4.340 -0.000 0.000 0.264 27 L C -0.727 176.159 176.870 0.026 0.000 1.029 27 L CA -1.338 53.513 54.840 0.018 0.000 0.897 27 L CB 0.869 42.936 42.059 0.013 0.000 1.497 27 L HN 0.166 nan 8.230 nan 0.000 0.495 28 N N -0.177 118.540 118.700 0.027 0.000 2.408 28 N HA 0.288 5.028 4.740 -0.000 0.000 0.280 28 N C -1.071 174.463 175.510 0.040 0.000 1.002 28 N CA -0.329 52.745 53.050 0.039 0.000 0.907 28 N CB 1.690 40.203 38.487 0.044 0.000 1.161 28 N HN 0.439 nan 8.380 nan 0.000 0.488 29 T N 1.763 116.348 114.554 0.052 0.000 2.888 29 T HA 0.129 4.478 4.350 -0.000 0.000 0.301 29 T C 0.175 174.921 174.700 0.076 0.000 1.001 29 T CA 0.061 62.196 62.100 0.060 0.000 1.147 29 T CB 0.482 69.391 68.868 0.069 0.000 0.931 29 T HN 0.283 nan 8.240 nan 0.000 0.541 30 E N 2.829 123.073 120.200 0.074 0.000 2.141 30 E HA 0.302 4.652 4.350 -0.000 0.000 0.259 30 E C -0.743 175.958 176.600 0.169 0.000 0.883 30 E CA -0.439 56.024 56.400 0.106 0.000 0.744 30 E CB 1.045 30.762 29.700 0.029 0.000 1.150 30 E HN 0.500 nan 8.360 nan 0.000 0.420 31 L N 5.034 126.366 121.223 0.181 0.000 2.264 31 L HA 0.404 4.743 4.340 -0.000 0.000 0.289 31 L C -2.294 174.672 176.870 0.159 0.000 1.044 31 L CA -2.186 52.751 54.840 0.162 0.000 0.807 31 L CB 0.474 42.606 42.059 0.121 0.000 1.192 31 L HN 0.195 nan 8.230 nan 0.000 0.425 32 P HA 0.291 nan 4.420 nan 0.000 0.271 32 P C -0.121 177.134 177.300 -0.074 0.000 1.216 32 P CA -0.140 62.902 63.100 -0.096 0.000 0.776 32 P CB 1.289 32.987 31.700 -0.003 0.000 0.881 33 G N 1.308 110.022 108.800 -0.143 0.000 2.721 33 G HA2 0.709 4.668 3.960 -0.000 0.000 0.296 33 G HA3 0.709 4.668 3.960 -0.000 0.000 0.296 33 G C -1.671 173.167 174.900 -0.104 0.000 1.383 33 G CA -0.720 44.335 45.100 -0.076 0.000 0.788 33 G HN 0.365 nan 8.290 nan 0.000 0.500 34 R N 0.120 120.549 120.500 -0.118 0.000 2.515 34 R HA 0.572 4.912 4.340 -0.000 0.000 0.291 34 R C 0.120 176.339 176.300 -0.134 0.000 1.046 34 R CA -0.346 55.630 56.100 -0.208 0.000 0.914 34 R CB 1.356 31.514 30.300 -0.237 0.000 1.191 34 R HN 0.867 nan 8.270 nan 0.000 0.435 35 T N 1.675 116.138 114.554 -0.151 0.000 2.919 35 T HA 0.358 4.708 4.350 -0.000 0.000 0.302 35 T C 0.076 174.745 174.700 -0.052 0.000 1.031 35 T CA -0.619 61.434 62.100 -0.079 0.000 1.127 35 T CB 0.424 69.226 68.868 -0.110 0.000 0.952 35 T HN 0.678 nan 8.240 nan 0.000 0.540 36 N N 0.177 118.899 118.700 0.036 0.000 2.525 36 N HA 0.470 5.210 4.740 -0.000 0.000 0.270 36 N C -1.035 174.545 175.510 0.118 0.000 1.321 36 N CA -1.155 51.926 53.050 0.052 0.000 0.797 36 N CB 1.827 40.341 38.487 0.044 0.000 1.529 36 N HN 0.858 nan 8.380 nan 0.000 0.491 37 A N 0.331 123.204 122.820 0.089 0.000 2.498 37 A HA 0.176 4.496 4.320 -0.000 0.000 0.239 37 A C 0.671 178.342 177.584 0.145 0.000 1.068 37 A CA -0.454 51.637 52.037 0.090 0.000 0.766 37 A CB -0.475 18.556 19.000 0.053 0.000 1.003 37 A HN 0.667 nan 8.150 nan 0.000 0.497 38 F N 1.563 121.423 119.950 -0.149 0.000 2.161 38 F HA -0.030 4.497 4.527 -0.000 0.000 0.300 38 F C 1.116 176.862 175.800 -0.090 0.000 1.089 38 F CA 1.827 59.619 58.000 -0.347 0.000 1.282 38 F CB 0.196 38.954 39.000 -0.404 0.000 1.010 38 F HN 0.469 nan 8.300 nan 0.000 0.485 39 R N -0.232 120.287 120.500 0.031 0.000 2.604 39 R HA 0.499 4.838 4.340 -0.000 0.000 0.270 39 R C -1.521 174.787 176.300 0.013 0.000 1.052 39 R CA -0.699 55.392 56.100 -0.015 0.000 0.902 39 R CB 1.490 31.802 30.300 0.020 0.000 1.233 39 R HN 0.027 nan 8.270 nan 0.000 0.455 40 I N 1.124 121.692 120.570 -0.004 0.000 2.582 40 I HA 0.746 4.916 4.170 -0.000 0.000 0.292 40 I C -0.442 175.667 176.117 -0.014 0.000 1.066 40 I CA -0.940 60.357 61.300 -0.005 0.000 1.053 40 I CB 2.323 40.320 38.000 -0.004 0.000 1.241 40 I HN 0.629 nan 8.210 nan 0.000 0.421 41 A N 4.697 127.507 122.820 -0.017 0.000 2.498 41 A HA 0.735 5.055 4.320 -0.000 0.000 0.298 41 A C -1.146 176.426 177.584 -0.021 0.000 1.075 41 A CA -0.598 51.427 52.037 -0.020 0.000 0.714 41 A CB 1.674 20.662 19.000 -0.021 0.000 1.299 41 A HN 0.713 nan 8.150 nan 0.000 0.407 42 E N 0.091 120.279 120.200 -0.019 0.000 2.214 42 E HA 0.533 4.882 4.350 -0.000 0.000 0.274 42 E C -1.111 175.481 176.600 -0.014 0.000 0.977 42 E CA -0.717 55.674 56.400 -0.016 0.000 0.827 42 E CB 2.078 31.768 29.700 -0.018 0.000 1.130 42 E HN 0.374 nan 8.360 nan 0.000 0.394 43 V N 3.581 123.495 119.914 -0.001 0.000 2.370 43 V HA 0.452 4.572 4.120 -0.000 0.000 0.283 43 V C -0.069 176.022 176.094 -0.005 0.000 1.023 43 V CA -0.508 61.804 62.300 0.020 0.000 0.857 43 V CB 0.865 32.738 31.823 0.084 0.000 0.985 43 V HN 0.594 nan 8.190 nan 0.000 0.443 44 R N 5.128 125.607 120.500 -0.035 0.000 2.725 44 R HA 0.574 4.914 4.340 -0.000 0.000 0.277 44 R C -2.911 173.325 176.300 -0.108 0.000 0.987 44 R CA -1.667 54.386 56.100 -0.077 0.000 0.901 44 R CB 3.076 33.330 30.300 -0.077 0.000 1.207 44 R HN 0.456 nan 8.270 nan 0.000 0.463 45 P HA 0.197 nan 4.420 nan 0.000 0.284 45 P C -0.931 176.248 177.300 -0.201 0.000 1.258 45 P CA -0.419 62.593 63.100 -0.147 0.000 0.824 45 P CB 1.324 32.944 31.700 -0.135 0.000 1.038 46 Q N 0.007 119.632 119.800 -0.291 0.000 2.112 46 Q HA 0.387 4.727 4.340 -0.000 0.000 0.222 46 Q C -0.449 175.342 176.000 -0.348 0.000 0.798 46 Q CA -0.169 55.340 55.803 -0.490 0.000 1.060 46 Q CB 1.409 29.480 28.738 -1.110 0.000 1.184 46 Q HN 0.209 nan 8.270 nan 0.000 0.475 47 V N 0.680 120.493 119.914 -0.169 0.000 3.048 47 V HA 0.338 4.457 4.120 -0.000 0.000 0.303 47 V C -1.559 174.534 176.094 -0.001 0.000 1.214 47 V CA -0.961 61.290 62.300 -0.081 0.000 0.984 47 V CB 2.408 34.135 31.823 -0.159 0.000 1.054 47 V HN 0.231 nan 8.190 nan 0.000 0.430 48 N N 2.995 121.747 118.700 0.087 0.000 2.525 48 N HA 0.761 5.501 4.740 -0.000 0.000 0.271 48 N C 0.208 175.821 175.510 0.172 0.000 1.194 48 N CA 0.739 53.849 53.050 0.100 0.000 0.964 48 N CB 1.613 40.155 38.487 0.092 0.000 1.126 48 N HN 1.220 nan 8.380 nan 0.000 0.452 49 G N -0.155 108.706 108.800 0.101 0.000 2.323 49 G HA2 0.194 4.154 3.960 -0.000 0.000 0.291 49 G HA3 0.194 4.154 3.960 -0.000 0.000 0.291 49 G C -1.705 173.227 174.900 0.054 0.000 1.278 49 G CA -0.683 44.481 45.100 0.107 0.000 0.860 49 G HN 0.314 nan 8.290 nan 0.000 0.504 50 I N 1.362 121.964 120.570 0.053 0.000 2.359 50 I HA 0.360 4.530 4.170 -0.000 0.000 0.294 50 I C 0.262 176.406 176.117 0.045 0.000 0.987 50 I CA -1.066 60.255 61.300 0.035 0.000 1.225 50 I CB 1.346 39.363 38.000 0.029 0.000 1.366 50 I HN 0.258 nan 8.210 nan 0.000 0.466 51 I N 6.887 127.477 120.570 0.033 0.000 2.581 51 I HA -0.083 4.087 4.170 -0.000 0.000 0.285 51 I C 1.140 177.299 176.117 0.071 0.000 1.129 51 I CA 0.157 61.493 61.300 0.061 0.000 1.397 51 I CB 0.288 38.328 38.000 0.067 0.000 1.399 51 I HN 0.511 nan 8.210 nan 0.000 0.537 52 L N 7.260 128.533 121.223 0.083 0.000 2.127 52 L HA 0.088 4.427 4.340 -0.000 0.000 0.203 52 L C 0.733 177.641 176.870 0.064 0.000 1.080 52 L CA 1.639 56.519 54.840 0.066 0.000 0.768 52 L CB -0.071 42.028 42.059 0.066 0.000 0.924 52 L HN 0.468 nan 8.230 nan 0.000 0.444 53 K N -1.366 119.089 120.400 0.091 0.000 2.523 53 K HA 0.266 4.586 4.320 -0.000 0.000 0.257 53 K C 0.152 176.796 176.600 0.073 0.000 0.932 53 K CA -0.501 55.819 56.287 0.055 0.000 0.812 53 K CB 2.303 34.821 32.500 0.029 0.000 1.326 53 K HN -0.206 nan 8.250 nan 0.000 0.433 54 R N 1.612 122.081 120.500 -0.051 0.000 2.090 54 R HA 0.119 4.459 4.340 -0.000 0.000 0.219 54 R C 0.683 176.758 176.300 -0.376 0.000 1.100 54 R CA 1.249 57.174 56.100 -0.291 0.000 0.991 54 R CB 0.043 30.099 30.300 -0.407 0.000 0.893 54 R HN 0.704 nan 8.270 nan 0.000 0.443 55 L N -1.729 119.355 121.223 -0.231 0.000 5.134 55 L HA -0.274 4.066 4.340 -0.000 0.000 0.407 55 L C -0.351 176.491 176.870 -0.046 0.000 0.869 55 L CA 0.912 55.684 54.840 -0.114 0.000 1.827 55 L CB -1.827 40.217 42.059 -0.027 0.000 1.501 55 L HN 0.254 nan 8.230 nan 0.000 0.610 56 F N -0.658 119.187 119.950 -0.175 0.000 2.563 56 F HA 0.710 5.237 4.527 -0.000 0.000 0.316 56 F C 0.153 175.895 175.800 -0.097 0.000 1.076 56 F CA -1.503 56.419 58.000 -0.130 0.000 0.921 56 F CB 1.178 40.087 39.000 -0.153 0.000 1.209 56 F HN -0.158 nan 8.300 nan 0.000 0.462 57 K N 2.324 122.781 120.400 0.096 0.000 2.298 57 K HA 0.148 4.468 4.320 -0.000 0.000 0.280 57 K C -0.368 176.357 176.600 0.210 0.000 1.032 57 K CA -0.226 56.088 56.287 0.044 0.000 0.958 57 K CB 0.582 33.108 32.500 0.044 0.000 0.978 57 K HN 0.854 nan 8.250 nan 0.000 0.472 58 E N 1.546 121.815 120.200 0.114 0.000 2.392 58 E HA 0.069 4.419 4.350 -0.000 0.000 0.264 58 E C 0.301 176.979 176.600 0.131 0.000 1.024 58 E CA 0.542 57.062 56.400 0.200 0.000 0.903 58 E CB 0.487 30.252 29.700 0.108 0.000 0.963 58 E HN 0.861 nan 8.360 nan 0.000 0.432 59 G N 2.346 111.218 108.800 0.121 0.000 2.351 59 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.297 59 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.297 59 G C -0.103 174.830 174.900 0.056 0.000 1.054 59 G CA 0.500 45.639 45.100 0.065 0.000 1.123 59 G HN 0.573 nan 8.290 nan 0.000 0.512 60 S N -1.195 114.541 115.700 0.059 0.000 2.661 60 S HA 0.738 5.207 4.470 -0.000 0.000 0.285 60 S C -0.854 173.750 174.600 0.007 0.000 1.138 60 S CA -1.002 57.222 58.200 0.040 0.000 0.855 60 S CB 2.399 65.640 63.200 0.068 0.000 1.136 60 S HN 0.121 nan 8.310 nan 0.000 0.484 61 D N 1.433 121.832 120.400 -0.001 0.000 2.312 61 D HA 0.481 5.121 4.640 -0.000 0.000 0.252 61 D C 0.162 176.446 176.300 -0.026 0.000 1.150 61 D CA -0.061 53.928 54.000 -0.019 0.000 0.870 61 D CB 1.674 42.466 40.800 -0.013 0.000 1.153 61 D HN 0.628 nan 8.370 nan 0.000 0.457 62 V N -0.700 119.183 119.914 -0.052 0.000 3.074 62 V HA 0.594 4.714 4.120 -0.000 0.000 0.314 62 V C -0.411 175.655 176.094 -0.047 0.000 1.117 62 V CA -1.017 61.248 62.300 -0.059 0.000 1.014 62 V CB 2.459 34.209 31.823 -0.123 0.000 1.057 62 V HN 0.252 nan 8.190 nan 0.000 0.438 63 K N 1.712 122.090 120.400 -0.037 0.000 2.123 63 K HA 0.765 5.085 4.320 -0.000 0.000 0.259 63 K C -0.005 176.579 176.600 -0.026 0.000 0.960 63 K CA -0.276 55.995 56.287 -0.026 0.000 0.872 63 K CB 2.001 34.492 32.500 -0.016 0.000 1.079 63 K HN 1.128 nan 8.250 nan 0.000 0.440 64 A N 0.959 123.768 122.820 -0.017 0.000 2.566 64 A HA 0.317 4.636 4.320 -0.000 0.000 0.245 64 A C 1.213 178.791 177.584 -0.009 0.000 1.056 64 A CA 1.198 53.228 52.037 -0.012 0.000 0.757 64 A CB -0.927 18.070 19.000 -0.004 0.000 0.979 64 A HN 0.977 nan 8.150 nan 0.000 0.508 65 G N 0.845 109.641 108.800 -0.006 0.000 2.195 65 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 65 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 65 G C 0.378 175.279 174.900 0.002 0.000 0.984 65 G CA 0.507 45.607 45.100 0.001 0.000 0.633 65 G HN 1.196 nan 8.290 nan 0.000 0.525 66 Q N 0.582 120.379 119.800 -0.006 0.000 2.327 66 Q HA 0.453 4.792 4.340 -0.000 0.000 0.254 66 Q C 0.349 176.353 176.000 0.008 0.000 0.952 66 Q CA -0.357 55.444 55.803 -0.003 0.000 0.884 66 Q CB 0.450 29.179 28.738 -0.016 0.000 1.224 66 Q HN 0.451 nan 8.270 nan 0.000 0.422 67 Q N 3.938 123.752 119.800 0.024 0.000 2.296 67 Q HA 0.076 4.416 4.340 -0.000 0.000 0.263 67 Q C 0.070 176.102 176.000 0.054 0.000 1.026 67 Q CA -0.029 55.804 55.803 0.049 0.000 0.912 67 Q CB 0.578 29.347 28.738 0.051 0.000 1.198 67 Q HN 0.836 nan 8.270 nan 0.000 0.407 68 L N 3.944 125.209 121.223 0.071 0.000 2.357 68 L HA 0.158 4.498 4.340 -0.000 0.000 0.211 68 L C -0.264 176.548 176.870 -0.096 0.000 1.075 68 L CA 0.337 55.201 54.840 0.040 0.000 0.830 68 L CB 0.294 42.327 42.059 -0.045 0.000 0.996 68 L HN 0.611 nan 8.230 nan 0.000 0.467 69 Y N -1.287 119.112 120.300 0.166 0.000 2.588 69 Y HA 0.480 5.030 4.550 -0.000 0.000 0.343 69 Y C -0.437 175.509 175.900 0.077 0.000 1.065 69 Y CA -1.135 57.037 58.100 0.120 0.000 1.038 69 Y CB 1.555 40.083 38.460 0.114 0.000 1.297 69 Y HN -0.227 nan 8.280 nan 0.000 0.467 70 Q N 2.214 122.160 119.800 0.244 0.000 2.381 70 Q HA 0.507 4.847 4.340 -0.000 0.000 0.263 70 Q C -1.439 174.649 176.000 0.147 0.000 1.030 70 Q CA -0.150 55.745 55.803 0.154 0.000 0.772 70 Q CB 0.636 29.436 28.738 0.103 0.000 1.232 70 Q HN 0.644 nan 8.270 nan 0.000 0.476 71 I N 2.579 123.225 120.570 0.126 0.000 2.588 71 I HA 0.034 4.204 4.170 -0.000 0.000 0.283 71 I C 0.506 176.698 176.117 0.125 0.000 1.119 71 I CA -0.245 61.120 61.300 0.108 0.000 1.419 71 I CB 0.617 38.672 38.000 0.091 0.000 1.394 71 I HN 0.619 nan 8.210 nan 0.000 0.562 72 D N 9.242 129.711 120.400 0.115 0.000 2.479 72 D HA -0.022 4.618 4.640 -0.000 0.000 0.257 72 D C -1.500 174.894 176.300 0.157 0.000 1.230 72 D CA -1.185 52.877 54.000 0.104 0.000 0.912 72 D CB 0.942 41.783 40.800 0.069 0.000 1.130 72 D HN 0.285 nan 8.370 nan 0.000 0.515 73 P HA 0.118 nan 4.420 nan 0.000 0.261 73 P C 0.895 178.288 177.300 0.155 0.000 1.268 73 P CA -0.006 63.221 63.100 0.212 0.000 0.833 73 P CB 0.425 32.208 31.700 0.139 0.000 1.231 74 A N 0.985 123.851 122.820 0.076 0.000 1.873 74 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 74 A C 2.282 179.870 177.584 0.007 0.000 1.193 74 A CA 2.644 54.703 52.037 0.038 0.000 0.629 74 A CB -1.950 17.060 19.000 0.017 0.000 0.826 74 A HN 0.189 nan 8.150 nan 0.000 0.447 75 T N -1.332 113.177 114.554 -0.076 0.000 2.788 75 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 75 T C 1.706 176.339 174.700 -0.112 0.000 1.044 75 T CA 1.700 63.715 62.100 -0.141 0.000 1.139 75 T CB -0.461 68.240 68.868 -0.278 0.000 0.867 75 T HN 0.582 nan 8.240 nan 0.000 0.454 76 Y N 1.240 121.565 120.300 0.043 0.000 2.224 76 Y HA -0.095 4.455 4.550 -0.001 0.000 0.289 76 Y C 2.655 178.603 175.900 0.081 0.000 1.146 76 Y CA 0.940 59.070 58.100 0.050 0.000 1.182 76 Y CB -0.121 38.357 38.460 0.031 0.000 0.983 76 Y HN 0.261 nan 8.280 nan 0.000 0.524 77 E N 0.040 120.371 120.200 0.219 0.000 2.051 77 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 77 E C 2.386 179.087 176.600 0.168 0.000 0.991 77 E CA 1.087 57.602 56.400 0.191 0.000 0.799 77 E CB -0.233 29.545 29.700 0.131 0.000 0.748 77 E HN 0.452 nan 8.360 nan 0.000 0.449 78 A N 1.285 124.165 122.820 0.099 0.000 1.902 78 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 78 A C 1.700 179.325 177.584 0.069 0.000 1.181 78 A CA 1.809 53.882 52.037 0.060 0.000 0.623 78 A CB -0.431 18.583 19.000 0.023 0.000 0.818 78 A HN 0.158 nan 8.150 nan 0.000 0.443 79 D N -1.785 118.672 120.400 0.095 0.000 2.178 79 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 79 D C 1.619 178.010 176.300 0.151 0.000 0.980 79 D CA 1.470 55.534 54.000 0.106 0.000 0.842 79 D CB -0.326 40.549 40.800 0.126 0.000 0.948 79 D HN 0.624 nan 8.370 nan 0.000 0.472 80 Y N 1.314 121.644 120.300 0.051 0.000 2.243 80 Y HA -0.106 4.443 4.550 -0.000 0.000 0.293 80 Y C 2.260 178.175 175.900 0.024 0.000 1.124 80 Y CA 1.238 59.361 58.100 0.039 0.000 1.159 80 Y CB -0.263 38.223 38.460 0.044 0.000 1.008 80 Y HN -0.206 nan 8.280 nan 0.000 0.527 81 Q N 0.218 119.958 119.800 -0.101 0.000 2.050 81 Q HA -0.160 4.179 4.340 -0.000 0.000 0.202 81 Q C 2.742 178.654 176.000 -0.146 0.000 0.980 81 Q CA 2.336 58.030 55.803 -0.183 0.000 0.840 81 Q CB -0.631 28.077 28.738 -0.050 0.000 0.898 81 Q HN 0.566 nan 8.270 nan 0.000 0.424 82 S N -0.565 115.095 115.700 -0.066 0.000 2.368 82 S HA -0.064 4.405 4.470 -0.000 0.000 0.224 82 S C 2.088 176.651 174.600 -0.061 0.000 1.029 82 S CA 1.005 59.175 58.200 -0.050 0.000 0.988 82 S CB -0.424 62.766 63.200 -0.017 0.000 0.838 82 S HN 0.353 nan 8.310 nan 0.000 0.462 83 A N 1.276 124.062 122.820 -0.056 0.000 1.940 83 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 83 A C 2.316 179.845 177.584 -0.092 0.000 1.176 83 A CA 1.869 53.879 52.037 -0.045 0.000 0.631 83 A CB -1.094 17.912 19.000 0.010 0.000 0.814 83 A HN 0.712 nan 8.150 nan 0.000 0.446 84 Q N -0.720 118.961 119.800 -0.198 0.000 2.119 84 Q HA -0.033 4.307 4.340 -0.000 0.000 0.201 84 Q C 2.088 178.018 176.000 -0.118 0.000 0.972 84 Q CA 1.647 57.320 55.803 -0.217 0.000 0.847 84 Q CB -0.348 28.130 28.738 -0.434 0.000 0.903 84 Q HN 0.610 nan 8.270 nan 0.000 0.433 85 A N 0.776 123.533 122.820 -0.104 0.000 1.897 85 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 85 A C 1.971 179.534 177.584 -0.036 0.000 1.181 85 A CA 1.338 53.337 52.037 -0.063 0.000 0.620 85 A CB -0.902 18.063 19.000 -0.058 0.000 0.821 85 A HN 0.576 nan 8.150 nan 0.000 0.443 86 N N 0.074 118.755 118.700 -0.033 0.000 2.149 86 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 86 N C 1.777 177.291 175.510 0.006 0.000 1.019 86 N CA 1.811 54.852 53.050 -0.014 0.000 0.857 86 N CB -0.234 38.244 38.487 -0.015 0.000 0.997 86 N HN 0.363 nan 8.380 nan 0.000 0.426 87 L N 1.545 122.771 121.223 0.005 0.000 2.017 87 L HA -0.051 4.288 4.340 -0.000 0.000 0.208 87 L C 2.430 179.346 176.870 0.077 0.000 1.073 87 L CA 2.075 56.943 54.840 0.048 0.000 0.745 87 L CB -1.128 40.945 42.059 0.024 0.000 0.894 87 L HN 0.185 nan 8.230 nan 0.000 0.432 88 A N -1.354 121.483 122.820 0.029 0.000 1.940 88 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 88 A C 2.545 180.135 177.584 0.010 0.000 1.176 88 A CA 2.185 54.233 52.037 0.019 0.000 0.631 88 A CB -1.051 17.946 19.000 -0.005 0.000 0.814 88 A HN 0.636 nan 8.150 nan 0.000 0.446 89 S N -0.573 115.130 115.700 0.006 0.000 2.371 89 S HA -0.129 4.341 4.470 -0.000 0.000 0.221 89 S C 2.176 176.771 174.600 -0.008 0.000 1.036 89 S CA 1.944 60.139 58.200 -0.009 0.000 0.965 89 S CB -0.930 62.262 63.200 -0.014 0.000 0.845 89 S HN 0.757 nan 8.310 nan 0.000 0.475 90 T N -0.436 114.136 114.554 0.030 0.000 2.915 90 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 90 T C 1.955 176.687 174.700 0.052 0.000 1.071 90 T CA 1.386 63.517 62.100 0.052 0.000 1.132 90 T CB -0.617 68.320 68.868 0.115 0.000 0.878 90 T HN 0.565 nan 8.240 nan 0.000 0.479 91 Q N 1.258 121.106 119.800 0.080 0.000 2.046 91 Q HA -0.196 4.144 4.340 -0.000 0.000 0.200 91 Q C 2.400 178.292 176.000 -0.181 0.000 0.975 91 Q CA 1.998 57.714 55.803 -0.145 0.000 0.836 91 Q CB -0.120 28.611 28.738 -0.011 0.000 0.896 91 Q HN 0.758 nan 8.270 nan 0.000 0.428 92 E N 0.362 120.508 120.200 -0.090 0.000 2.106 92 E HA -0.274 4.076 4.350 -0.000 0.000 0.192 92 E C 1.831 178.369 176.600 -0.103 0.000 0.984 92 E CA 1.753 58.101 56.400 -0.086 0.000 0.806 92 E CB -0.498 29.170 29.700 -0.053 0.000 0.750 92 E HN 0.417 nan 8.360 nan 0.000 0.458 93 Q N 0.530 120.253 119.800 -0.128 0.000 2.096 93 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 93 Q C 2.127 177.999 176.000 -0.213 0.000 0.982 93 Q CA 2.470 58.142 55.803 -0.218 0.000 0.850 93 Q CB -0.642 27.953 28.738 -0.239 0.000 0.901 93 Q HN 0.395 nan 8.270 nan 0.000 0.422 94 A N 0.063 122.805 122.820 -0.131 0.000 1.873 94 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 94 A C 2.046 179.664 177.584 0.057 0.000 1.186 94 A CA 1.553 53.586 52.037 -0.005 0.000 0.616 94 A CB -0.652 18.275 19.000 -0.122 0.000 0.823 94 A HN 0.568 nan 8.150 nan 0.000 0.442 95 Q N -0.959 118.792 119.800 -0.082 0.000 2.077 95 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 95 Q C 2.431 178.420 176.000 -0.018 0.000 0.989 95 Q CA 1.937 57.702 55.803 -0.064 0.000 0.853 95 Q CB -0.194 28.487 28.738 -0.094 0.000 0.907 95 Q HN 0.638 nan 8.270 nan 0.000 0.418 96 R N -0.655 119.846 120.500 0.002 0.000 2.081 96 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 96 R C 1.946 178.357 176.300 0.184 0.000 1.131 96 R CA 1.291 57.428 56.100 0.062 0.000 0.960 96 R CB -0.043 30.292 30.300 0.057 0.000 0.856 96 R HN 0.283 nan 8.270 nan 0.000 0.436 97 Y N 0.795 121.084 120.300 -0.019 0.000 2.373 97 Y HA -0.102 4.448 4.550 -0.000 0.000 0.293 97 Y C 2.146 177.893 175.900 -0.256 0.000 1.129 97 Y CA 0.716 58.805 58.100 -0.017 0.000 1.226 97 Y CB -0.336 38.222 38.460 0.165 0.000 1.000 97 Y HN 0.051 nan 8.280 nan 0.000 0.549 98 K N 0.334 120.603 120.400 -0.219 0.000 2.026 98 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 98 K C 1.962 178.352 176.600 -0.349 0.000 1.048 98 K CA 1.282 57.173 56.287 -0.660 0.000 0.929 98 K CB -0.333 31.930 32.500 -0.394 0.000 0.713 98 K HN 0.264 nan 8.250 nan 0.000 0.439 99 L N 0.903 122.027 121.223 -0.165 0.000 2.012 99 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 99 L C 2.452 179.255 176.870 -0.112 0.000 1.073 99 L CA 1.147 55.921 54.840 -0.110 0.000 0.748 99 L CB -0.422 41.604 42.059 -0.056 0.000 0.891 99 L HN 0.228 nan 8.230 nan 0.000 0.431 100 L N -0.433 120.730 121.223 -0.100 0.000 2.141 100 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 100 L C 2.602 179.378 176.870 -0.157 0.000 1.094 100 L CA 0.808 55.579 54.840 -0.114 0.000 0.763 100 L CB -0.503 41.486 42.059 -0.117 0.000 0.908 100 L HN 0.236 nan 8.230 nan 0.000 0.437 101 V N -2.570 117.223 119.914 -0.201 0.000 2.343 101 V HA -0.188 3.931 4.120 -0.000 0.000 0.247 101 V C 2.672 178.692 176.094 -0.124 0.000 1.051 101 V CA 1.476 63.676 62.300 -0.167 0.000 1.036 101 V CB -1.437 30.290 31.823 -0.161 0.000 0.654 101 V HN 0.316 nan 8.190 nan 0.000 0.451 102 A N 0.664 123.402 122.820 -0.136 0.000 1.948 102 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 102 A C 1.823 179.365 177.584 -0.070 0.000 1.177 102 A CA 2.165 54.146 52.037 -0.093 0.000 0.636 102 A CB -0.790 18.154 19.000 -0.093 0.000 0.815 102 A HN 0.612 nan 8.150 nan 0.000 0.449 103 D N -0.820 119.535 120.400 -0.075 0.000 2.340 103 D HA 0.106 4.746 4.640 -0.000 0.000 0.220 103 D C 0.202 176.467 176.300 -0.058 0.000 1.039 103 D CA 0.440 54.404 54.000 -0.059 0.000 0.866 103 D CB -0.140 40.627 40.800 -0.055 0.000 0.913 103 D HN 0.598 nan 8.370 nan 0.000 0.523 104 Q N -1.145 118.615 119.800 -0.067 0.000 2.480 104 Q HA -0.256 4.084 4.340 -0.000 0.000 0.265 104 Q C 0.865 176.824 176.000 -0.069 0.000 1.072 104 Q CA 0.616 56.382 55.803 -0.062 0.000 1.018 104 Q CB -1.684 27.029 28.738 -0.043 0.000 1.433 104 Q HN 0.354 nan 8.270 nan 0.000 0.513 105 A N -0.288 122.479 122.820 -0.089 0.000 2.195 105 A HA 0.392 4.712 4.320 -0.000 0.000 0.210 105 A C 0.821 178.321 177.584 -0.140 0.000 1.165 105 A CA 0.943 52.924 52.037 -0.093 0.000 0.806 105 A CB 0.645 19.596 19.000 -0.082 0.000 0.847 105 A HN 0.608 nan 8.150 nan 0.000 0.482 106 V N -2.734 117.070 119.914 -0.184 0.000 3.114 106 V HA 0.724 4.844 4.120 -0.000 0.000 0.308 106 V C -0.151 175.855 176.094 -0.147 0.000 1.168 106 V CA -0.387 61.770 62.300 -0.238 0.000 1.015 106 V CB 1.278 32.775 31.823 -0.544 0.000 1.050 106 V HN 0.461 nan 8.190 nan 0.000 0.433 107 S N 1.353 116.994 115.700 -0.099 0.000 2.624 107 S HA 0.364 4.834 4.470 -0.000 0.000 0.263 107 S C 0.801 175.411 174.600 0.016 0.000 1.287 107 S CA 0.087 58.267 58.200 -0.034 0.000 0.990 107 S CB 0.782 63.974 63.200 -0.013 0.000 0.950 107 S HN 0.868 nan 8.310 nan 0.000 0.561 108 K N 0.050 120.480 120.400 0.050 0.000 2.103 108 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 108 K C 2.384 179.041 176.600 0.096 0.000 1.048 108 K CA 1.664 58.017 56.287 0.110 0.000 0.930 108 K CB -0.281 32.267 32.500 0.081 0.000 0.716 108 K HN 0.667 nan 8.250 nan 0.000 0.444 109 Q N 1.294 121.127 119.800 0.056 0.000 2.084 109 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 109 Q C 1.824 177.867 176.000 0.072 0.000 0.978 109 Q CA 1.727 57.557 55.803 0.046 0.000 0.844 109 Q CB 0.005 28.762 28.738 0.032 0.000 0.898 109 Q HN 0.304 nan 8.270 nan 0.000 0.426 110 Q N -1.453 118.399 119.800 0.086 0.000 2.084 110 Q HA -0.192 4.147 4.340 -0.000 0.000 0.202 110 Q C 1.771 177.964 176.000 0.322 0.000 0.978 110 Q CA 1.533 57.431 55.803 0.159 0.000 0.844 110 Q CB -0.301 28.459 28.738 0.037 0.000 0.898 110 Q HN 0.491 nan 8.270 nan 0.000 0.426 111 Y N 0.811 121.187 120.300 0.127 0.000 2.163 111 Y HA -0.148 4.401 4.550 -0.000 0.000 0.288 111 Y C 2.144 178.126 175.900 0.138 0.000 1.136 111 Y CA 1.102 59.314 58.100 0.186 0.000 1.147 111 Y CB -0.665 37.847 38.460 0.086 0.000 0.987 111 Y HN 0.058 nan 8.280 nan 0.000 0.509 112 A N 0.395 123.123 122.820 -0.153 0.000 1.908 112 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 112 A C 1.950 179.461 177.584 -0.121 0.000 1.181 112 A CA 2.152 54.059 52.037 -0.217 0.000 0.627 112 A CB -0.887 18.063 19.000 -0.084 0.000 0.818 112 A HN 0.559 nan 8.150 nan 0.000 0.445 113 D N 0.016 120.406 120.400 -0.016 0.000 2.144 113 D HA -0.024 4.616 4.640 -0.000 0.000 0.200 113 D C 2.201 178.509 176.300 0.013 0.000 0.978 113 D CA 1.481 55.489 54.000 0.013 0.000 0.833 113 D CB -0.474 40.359 40.800 0.054 0.000 0.961 113 D HN 0.453 nan 8.370 nan 0.000 0.470 114 A N 1.114 123.961 122.820 0.045 0.000 1.898 114 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 114 A C 2.011 179.603 177.584 0.013 0.000 1.181 114 A CA 1.421 53.470 52.037 0.019 0.000 0.620 114 A CB -0.750 18.269 19.000 0.033 0.000 0.819 114 A HN 0.246 nan 8.150 nan 0.000 0.442 115 N N 0.447 119.095 118.700 -0.086 0.000 2.069 115 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 115 N C 1.979 177.521 175.510 0.053 0.000 1.031 115 N CA 1.580 54.600 53.050 -0.050 0.000 0.852 115 N CB -0.238 38.033 38.487 -0.360 0.000 1.018 115 N HN 0.357 nan 8.380 nan 0.000 0.423 116 A N 1.168 123.975 122.820 -0.022 0.000 1.873 116 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 116 A C 2.449 180.038 177.584 0.008 0.000 1.193 116 A CA 2.241 54.271 52.037 -0.012 0.000 0.629 116 A CB -1.204 17.781 19.000 -0.024 0.000 0.826 116 A HN 0.519 nan 8.150 nan 0.000 0.447 117 A N -1.667 121.168 122.820 0.025 0.000 1.972 117 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 117 A C 2.129 179.749 177.584 0.060 0.000 1.169 117 A CA 1.771 53.825 52.037 0.028 0.000 0.635 117 A CB -0.760 18.253 19.000 0.022 0.000 0.810 117 A HN 0.879 nan 8.150 nan 0.000 0.446 118 Y N 0.501 120.780 120.300 -0.035 0.000 2.133 118 Y HA -0.125 4.425 4.550 -0.000 0.000 0.287 118 Y C 1.871 177.761 175.900 -0.016 0.000 1.134 118 Y CA 1.664 59.750 58.100 -0.024 0.000 1.133 118 Y CB -0.511 37.940 38.460 -0.016 0.000 0.987 118 Y HN 0.182 nan 8.280 nan 0.000 0.502 119 L N 0.359 121.414 121.223 -0.280 0.000 2.051 119 L HA -0.340 4.000 4.340 -0.000 0.000 0.214 119 L C 2.567 179.307 176.870 -0.218 0.000 1.076 119 L CA 2.082 56.727 54.840 -0.325 0.000 0.758 119 L CB -0.760 41.220 42.059 -0.132 0.000 0.890 119 L HN 0.371 nan 8.230 nan 0.000 0.433 120 Q N -0.833 118.894 119.800 -0.121 0.000 2.124 120 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 120 Q C 2.413 178.361 176.000 -0.087 0.000 0.977 120 Q CA 1.729 57.484 55.803 -0.081 0.000 0.850 120 Q CB -0.121 28.592 28.738 -0.041 0.000 0.901 120 Q HN 0.418 nan 8.270 nan 0.000 0.429 121 S N 0.734 116.374 115.700 -0.101 0.000 2.368 121 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 121 S C 1.705 176.238 174.600 -0.111 0.000 1.030 121 S CA 1.065 59.218 58.200 -0.078 0.000 0.999 121 S CB -0.074 63.104 63.200 -0.037 0.000 0.844 121 S HN 0.273 nan 8.310 nan 0.000 0.459 122 K N 1.175 121.437 120.400 -0.231 0.000 2.063 122 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 122 K C 2.391 178.927 176.600 -0.106 0.000 1.048 122 K CA 1.315 57.479 56.287 -0.204 0.000 0.928 122 K CB -0.324 31.976 32.500 -0.334 0.000 0.713 122 K HN 0.345 nan 8.250 nan 0.000 0.442 123 A N 1.269 124.028 122.820 -0.103 0.000 1.898 123 A HA -0.068 4.251 4.320 -0.000 0.000 0.216 123 A C 2.341 179.912 177.584 -0.021 0.000 1.181 123 A CA 1.699 53.703 52.037 -0.055 0.000 0.620 123 A CB -0.613 18.355 19.000 -0.053 0.000 0.819 123 A HN 0.339 nan 8.150 nan 0.000 0.442 124 A N -0.584 122.224 122.820 -0.019 0.000 1.933 124 A HA 0.001 4.320 4.320 -0.000 0.000 0.218 124 A C 2.217 179.830 177.584 0.048 0.000 1.175 124 A CA 1.773 53.818 52.037 0.013 0.000 0.628 124 A CB -0.833 18.172 19.000 0.008 0.000 0.814 124 A HN 0.359 nan 8.150 nan 0.000 0.444 125 V N -0.156 119.782 119.914 0.040 0.000 2.358 125 V HA -0.216 3.903 4.120 -0.000 0.000 0.246 125 V C 2.614 178.790 176.094 0.136 0.000 1.047 125 V CA 2.386 64.749 62.300 0.105 0.000 1.035 125 V CB -0.582 31.277 31.823 0.060 0.000 0.658 125 V HN 0.700 nan 8.190 nan 0.000 0.452 126 E N 0.097 120.331 120.200 0.057 0.000 2.077 126 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 126 E C 2.171 178.775 176.600 0.006 0.000 0.989 126 E CA 1.524 57.939 56.400 0.026 0.000 0.800 126 E CB -0.314 29.386 29.700 -0.001 0.000 0.746 126 E HN 0.492 nan 8.360 nan 0.000 0.452 127 Q N -0.145 119.668 119.800 0.020 0.000 2.119 127 Q HA 0.065 4.405 4.340 -0.000 0.000 0.201 127 Q C 1.936 177.951 176.000 0.025 0.000 0.972 127 Q CA 1.846 57.661 55.803 0.020 0.000 0.847 127 Q CB -0.653 28.106 28.738 0.035 0.000 0.903 127 Q HN 0.326 nan 8.270 nan 0.000 0.433 128 A N 0.258 123.125 122.820 0.079 0.000 1.930 128 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 128 A C 2.142 179.698 177.584 -0.047 0.000 1.175 128 A CA 1.476 53.588 52.037 0.125 0.000 0.627 128 A CB -0.526 18.638 19.000 0.273 0.000 0.815 128 A HN 0.357 nan 8.150 nan 0.000 0.443 129 R N -0.212 120.208 120.500 -0.134 0.000 2.066 129 R HA -0.060 4.279 4.340 -0.000 0.000 0.232 129 R C 1.942 178.021 176.300 -0.369 0.000 1.131 129 R CA 1.667 57.490 56.100 -0.462 0.000 0.955 129 R CB -0.370 29.769 30.300 -0.269 0.000 0.851 129 R HN 0.545 nan 8.270 nan 0.000 0.432 130 I N 1.471 121.883 120.570 -0.263 0.000 2.179 130 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 130 I C 1.716 177.600 176.117 -0.387 0.000 1.088 130 I CA 1.241 62.328 61.300 -0.355 0.000 1.357 130 I CB -0.455 37.422 38.000 -0.205 0.000 1.051 130 I HN 0.238 nan 8.210 nan 0.000 0.409 131 N N 0.835 119.410 118.700 -0.209 0.000 2.166 131 N HA -0.183 4.556 4.740 -0.000 0.000 0.186 131 N C 1.751 177.009 175.510 -0.419 0.000 1.019 131 N CA 1.123 54.016 53.050 -0.261 0.000 0.856 131 N CB -0.535 37.804 38.487 -0.246 0.000 0.993 131 N HN 0.211 nan 8.380 nan 0.000 0.426 132 L N 1.525 122.555 121.223 -0.322 0.000 2.046 132 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 132 L C 2.376 179.097 176.870 -0.249 0.000 1.077 132 L CA 1.525 56.214 54.840 -0.252 0.000 0.747 132 L CB -0.531 41.377 42.059 -0.252 0.000 0.896 132 L HN 0.055 nan 8.230 nan 0.000 0.432 133 R N -1.469 118.834 120.500 -0.328 0.000 2.083 133 R HA -0.242 4.098 4.340 -0.000 0.000 0.237 133 R C 2.302 178.471 176.300 -0.218 0.000 1.137 133 R CA 2.223 58.137 56.100 -0.309 0.000 0.951 133 R CB -0.666 29.376 30.300 -0.430 0.000 0.851 133 R HN 0.515 nan 8.270 nan 0.000 0.434 134 Y N 0.360 120.562 120.300 -0.163 0.000 2.569 134 Y HA -0.152 4.398 4.550 -0.000 0.000 0.293 134 Y C 2.435 178.253 175.900 -0.136 0.000 1.144 134 Y CA 1.001 59.016 58.100 -0.142 0.000 1.321 134 Y CB -0.082 38.280 38.460 -0.163 0.000 0.982 134 Y HN 0.345 nan 8.280 nan 0.000 0.558 135 T N -1.893 112.638 114.554 -0.037 0.000 3.007 135 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 135 T C 0.563 175.298 174.700 0.058 0.000 1.107 135 T CA 0.512 62.612 62.100 -0.000 0.000 1.118 135 T CB -0.191 68.684 68.868 0.013 0.000 0.889 135 T HN 0.125 nan 8.240 nan 0.000 0.506 136 K N 2.144 122.577 120.400 0.054 0.000 2.266 136 K HA 0.460 4.780 4.320 -0.000 0.000 0.274 136 K C -1.046 175.619 176.600 0.109 0.000 1.090 136 K CA -0.490 55.844 56.287 0.078 0.000 0.925 136 K CB 1.674 34.199 32.500 0.041 0.000 1.225 136 K HN 0.081 nan 8.250 nan 0.000 0.458 137 V N 5.686 125.694 119.914 0.156 0.000 2.408 137 V HA 0.190 4.309 4.120 -0.000 0.000 0.267 137 V C 0.322 176.515 176.094 0.165 0.000 1.047 137 V CA -0.501 61.904 62.300 0.174 0.000 0.937 137 V CB 0.193 32.153 31.823 0.229 0.000 0.999 137 V HN 0.571 nan 8.190 nan 0.000 0.472 138 L N 3.198 124.486 121.223 0.107 0.000 2.344 138 L HA 0.476 4.816 4.340 -0.000 0.000 0.272 138 L C 0.713 177.605 176.870 0.037 0.000 1.035 138 L CA -0.331 54.547 54.840 0.063 0.000 0.807 138 L CB 1.696 43.784 42.059 0.048 0.000 1.237 138 L HN 0.582 nan 8.230 nan 0.000 0.442 139 S N 1.584 117.281 115.700 -0.004 0.000 2.516 139 S HA 0.141 4.611 4.470 -0.000 0.000 0.282 139 S C -1.585 173.006 174.600 -0.016 0.000 1.286 139 S CA -1.086 57.093 58.200 -0.035 0.000 1.066 139 S CB 0.874 64.032 63.200 -0.070 0.000 0.884 139 S HN 0.376 nan 8.310 nan 0.000 0.491 140 P HA 0.094 nan 4.420 nan 0.000 0.219 140 P C 0.164 177.458 177.300 -0.010 0.000 1.150 140 P CA 0.796 63.892 63.100 -0.007 0.000 0.814 140 P CB -0.016 31.678 31.700 -0.010 0.000 0.787 141 I N -6.788 113.771 120.570 -0.018 0.000 3.174 141 I HA 0.518 4.687 4.170 -0.000 0.000 0.313 141 I C -0.761 175.344 176.117 -0.021 0.000 1.155 141 I CA -1.311 59.982 61.300 -0.011 0.000 0.977 141 I CB 2.151 40.149 38.000 -0.003 0.000 1.248 141 I HN -0.486 nan 8.210 nan 0.000 0.453 142 S N 1.068 116.761 115.700 -0.011 0.000 2.565 142 S HA 0.827 5.297 4.470 -0.000 0.000 0.274 142 S C 0.156 174.746 174.600 -0.016 0.000 1.309 142 S CA 0.299 58.489 58.200 -0.017 0.000 1.043 142 S CB 1.020 64.214 63.200 -0.010 0.000 0.939 142 S HN 1.172 nan 8.310 nan 0.000 0.504 143 G N 1.610 110.392 108.800 -0.030 0.000 2.344 143 G HA2 0.387 4.347 3.960 -0.000 0.000 0.282 143 G HA3 0.387 4.347 3.960 -0.000 0.000 0.282 143 G C -1.737 173.139 174.900 -0.040 0.000 1.281 143 G CA -1.043 44.042 45.100 -0.026 0.000 0.877 143 G HN 0.581 nan 8.290 nan 0.000 0.494 144 R N -0.106 120.373 120.500 -0.035 0.000 2.294 144 R HA 0.729 5.068 4.340 -0.000 0.000 0.319 144 R C -0.326 175.941 176.300 -0.055 0.000 0.984 144 R CA -0.605 55.474 56.100 -0.035 0.000 0.861 144 R CB 0.888 31.177 30.300 -0.017 0.000 1.104 144 R HN 0.609 nan 8.270 nan 0.000 0.451 145 I N 3.585 124.105 120.570 -0.082 0.000 2.488 145 I HA 0.514 4.683 4.170 -0.000 0.000 0.299 145 I C 0.521 176.627 176.117 -0.019 0.000 0.984 145 I CA 0.029 61.254 61.300 -0.126 0.000 1.250 145 I CB 1.592 39.377 38.000 -0.359 0.000 1.389 145 I HN 0.806 nan 8.210 nan 0.000 0.488 146 G N 5.916 114.725 108.800 0.013 0.000 3.075 146 G HA2 0.391 4.351 3.960 -0.000 0.000 0.156 146 G HA3 0.391 4.351 3.960 -0.000 0.000 0.156 146 G C -0.360 174.632 174.900 0.155 0.000 1.403 146 G CA -0.750 44.392 45.100 0.069 0.000 1.033 146 G HN 0.565 nan 8.290 nan 0.000 0.589 147 R N -0.001 120.577 120.500 0.131 0.000 2.643 147 R HA 0.296 4.635 4.340 -0.000 0.000 0.270 147 R C 0.034 176.477 176.300 0.238 0.000 1.061 147 R CA -0.004 56.190 56.100 0.156 0.000 1.107 147 R CB 0.785 31.142 30.300 0.094 0.000 0.999 147 R HN 0.311 nan 8.270 nan 0.000 0.460 148 S N 1.182 117.042 115.700 0.266 0.000 2.488 148 S HA 0.161 4.630 4.470 -0.000 0.000 0.278 148 S C 1.012 175.720 174.600 0.181 0.000 1.259 148 S CA -0.334 58.052 58.200 0.311 0.000 1.061 148 S CB 0.888 64.215 63.200 0.211 0.000 0.910 148 S HN 0.693 nan 8.310 nan 0.000 0.491 149 A N 4.908 127.827 122.820 0.167 0.000 2.206 149 A HA 0.314 4.634 4.320 -0.000 0.000 0.211 149 A C 0.481 178.106 177.584 0.067 0.000 1.158 149 A CA 0.260 52.351 52.037 0.091 0.000 0.761 149 A CB 0.183 19.223 19.000 0.066 0.000 0.801 149 A HN 0.601 nan 8.150 nan 0.000 0.473 150 V N 0.700 120.668 119.914 0.091 0.000 2.656 150 V HA 0.433 4.553 4.120 -0.000 0.000 0.307 150 V C 0.401 176.544 176.094 0.081 0.000 1.051 150 V CA -0.164 62.162 62.300 0.045 0.000 0.893 150 V CB 1.963 33.763 31.823 -0.038 0.000 0.999 150 V HN 0.493 nan 8.190 nan 0.000 0.426 151 T N 1.111 115.694 114.554 0.048 0.000 2.897 151 T HA 0.543 4.893 4.350 -0.000 0.000 0.278 151 T C -0.026 174.707 174.700 0.054 0.000 0.981 151 T CA -0.771 61.358 62.100 0.048 0.000 0.973 151 T CB 1.060 69.941 68.868 0.022 0.000 1.092 151 T HN 0.621 nan 8.240 nan 0.000 0.543 152 E N -0.122 120.105 120.200 0.044 0.000 2.413 152 E HA 0.372 4.722 4.350 -0.000 0.000 0.263 152 E C 1.281 177.897 176.600 0.027 0.000 1.015 152 E CA 0.732 57.157 56.400 0.042 0.000 0.916 152 E CB 0.168 29.882 29.700 0.023 0.000 0.947 152 E HN 1.070 nan 8.360 nan 0.000 0.440 153 G N 1.615 110.432 108.800 0.029 0.000 2.179 153 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 153 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 153 G C 0.418 175.326 174.900 0.014 0.000 0.977 153 G CA 0.105 45.217 45.100 0.019 0.000 0.641 153 G HN 0.796 nan 8.290 nan 0.000 0.533 154 A N -0.485 122.343 122.820 0.013 0.000 2.346 154 A HA 0.726 5.046 4.320 -0.000 0.000 0.252 154 A C 0.224 177.806 177.584 -0.003 0.000 1.089 154 A CA 0.439 52.477 52.037 0.002 0.000 0.797 154 A CB 0.769 19.766 19.000 -0.005 0.000 1.047 154 A HN 1.551 nan 8.150 nan 0.000 0.494 155 L N 2.090 123.308 121.223 -0.008 0.000 2.295 155 L HA 0.627 4.967 4.340 -0.000 0.000 0.285 155 L C -0.174 176.683 176.870 -0.022 0.000 1.035 155 L CA -0.264 54.571 54.840 -0.008 0.000 0.806 155 L CB 1.469 43.526 42.059 -0.003 0.000 1.214 155 L HN 0.720 nan 8.230 nan 0.000 0.426 156 V N 1.164 121.063 119.914 -0.025 0.000 2.919 156 V HA 0.844 4.963 4.120 -0.000 0.000 0.316 156 V C -0.294 175.785 176.094 -0.026 0.000 1.077 156 V CA -0.323 61.950 62.300 -0.045 0.000 0.977 156 V CB 1.807 33.580 31.823 -0.084 0.000 1.039 156 V HN 0.806 nan 8.190 nan 0.000 0.441 157 T N 2.369 116.901 114.554 -0.036 0.000 2.886 157 T HA 0.399 4.749 4.350 -0.000 0.000 0.292 157 T C -0.475 174.196 174.700 -0.049 0.000 1.012 157 T CA -0.388 61.696 62.100 -0.027 0.000 0.982 157 T CB 1.368 70.222 68.868 -0.023 0.000 1.018 157 T HN 1.001 nan 8.240 nan 0.000 0.451 158 N N 1.262 119.933 118.700 -0.049 0.000 2.454 158 N HA 0.353 5.093 4.740 -0.000 0.000 0.260 158 N C 1.311 176.781 175.510 -0.067 0.000 1.218 158 N CA 1.686 54.688 53.050 -0.081 0.000 0.904 158 N CB 0.098 38.537 38.487 -0.081 0.000 1.065 158 N HN 1.018 nan 8.380 nan 0.000 0.462 159 G N 1.945 110.697 108.800 -0.080 0.000 2.159 159 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.256 159 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.256 159 G C -0.002 174.868 174.900 -0.050 0.000 0.977 159 G CA 0.547 45.611 45.100 -0.062 0.000 0.652 159 G HN 0.951 nan 8.290 nan 0.000 0.531 160 Q N -0.496 119.273 119.800 -0.052 0.000 2.428 160 Q HA 0.634 4.973 4.340 -0.000 0.000 0.276 160 Q C 1.618 177.594 176.000 -0.039 0.000 1.059 160 Q CA 0.505 56.283 55.803 -0.042 0.000 0.923 160 Q CB 0.913 29.624 28.738 -0.044 0.000 1.283 160 Q HN 0.866 nan 8.270 nan 0.000 0.447 161 A N 3.524 126.326 122.820 -0.030 0.000 1.873 161 A HA -0.119 4.200 4.320 -0.000 0.000 0.215 161 A C 0.350 177.919 177.584 -0.025 0.000 1.186 161 A CA 1.234 53.256 52.037 -0.025 0.000 0.616 161 A CB -0.623 18.365 19.000 -0.019 0.000 0.823 161 A HN 0.897 nan 8.150 nan 0.000 0.442 162 N N -0.079 118.606 118.700 -0.024 0.000 2.499 162 N HA 0.498 5.237 4.740 -0.000 0.000 0.281 162 N C -0.274 175.219 175.510 -0.027 0.000 1.098 162 N CA -0.072 52.966 53.050 -0.020 0.000 0.979 162 N CB 1.096 39.575 38.487 -0.013 0.000 1.121 162 N HN 0.412 nan 8.380 nan 0.000 0.466 163 A N 1.962 124.771 122.820 -0.019 0.000 2.445 163 A HA 0.098 4.417 4.320 -0.000 0.000 0.242 163 A C 1.065 178.646 177.584 -0.005 0.000 1.075 163 A CA -0.079 51.948 52.037 -0.016 0.000 0.777 163 A CB 0.173 19.170 19.000 -0.005 0.000 1.013 163 A HN 0.825 nan 8.150 nan 0.000 0.493 164 M N 0.849 120.443 119.600 -0.010 0.000 2.334 164 M HA 0.210 4.690 4.480 -0.000 0.000 0.266 164 M C 0.770 177.162 176.300 0.153 0.000 1.082 164 M CA 1.596 56.904 55.300 0.014 0.000 1.141 164 M CB -0.098 32.413 32.600 -0.148 0.000 1.380 164 M HN 0.865 nan 8.290 nan 0.000 0.440 165 A N -0.750 122.147 122.820 0.129 0.000 2.566 165 A HA 0.672 4.992 4.320 -0.000 0.000 0.290 165 A C -1.044 176.560 177.584 0.033 0.000 1.071 165 A CA -0.711 51.400 52.037 0.124 0.000 0.658 165 A CB 1.105 20.213 19.000 0.180 0.000 1.285 165 A HN 0.042 nan 8.150 nan 0.000 0.427 166 T N 0.656 115.211 114.554 0.001 0.000 2.881 166 T HA 0.594 4.944 4.350 -0.000 0.000 0.290 166 T C -1.131 173.539 174.700 -0.049 0.000 1.000 166 T CA -0.353 61.736 62.100 -0.018 0.000 0.978 166 T CB 1.441 70.309 68.868 -0.001 0.000 0.997 166 T HN 0.865 nan 8.240 nan 0.000 0.443 167 V N 3.973 123.854 119.914 -0.054 0.000 2.448 167 V HA 0.493 4.613 4.120 -0.000 0.000 0.295 167 V C -0.424 175.650 176.094 -0.033 0.000 1.025 167 V CA -0.796 61.464 62.300 -0.066 0.000 0.859 167 V CB 1.739 33.511 31.823 -0.086 0.000 0.988 167 V HN 0.814 nan 8.190 nan 0.000 0.431 168 Q N 3.250 123.036 119.800 -0.025 0.000 2.325 168 Q HA 0.412 4.752 4.340 -0.000 0.000 0.270 168 Q C -0.727 175.275 176.000 0.004 0.000 1.020 168 Q CA -0.454 55.347 55.803 -0.003 0.000 0.785 168 Q CB 2.841 31.579 28.738 -0.000 0.000 1.259 168 Q HN 0.759 nan 8.270 nan 0.000 0.452 169 Q N 3.805 123.623 119.800 0.029 0.000 2.295 169 Q HA 0.179 4.519 4.340 -0.000 0.000 0.259 169 Q C -0.366 175.656 176.000 0.036 0.000 0.976 169 Q CA 0.135 55.961 55.803 0.039 0.000 0.923 169 Q CB 0.566 29.362 28.738 0.096 0.000 1.185 169 Q HN 0.781 nan 8.270 nan 0.000 0.410 170 L N 3.160 124.379 121.223 -0.008 0.000 2.817 170 L HA 0.112 4.452 4.340 -0.000 0.000 0.248 170 L C 1.258 178.093 176.870 -0.059 0.000 1.133 170 L CA -0.137 54.691 54.840 -0.020 0.000 0.935 170 L CB 0.221 42.271 42.059 -0.016 0.000 1.266 170 L HN 0.713 nan 8.230 nan 0.000 0.535 171 D N 1.831 122.176 120.400 -0.092 0.000 2.129 171 D HA -0.008 4.632 4.640 -0.000 0.000 0.220 171 D C -1.728 174.467 176.300 -0.175 0.000 0.988 171 D CA 0.350 54.289 54.000 -0.101 0.000 0.904 171 D CB -0.990 39.754 40.800 -0.093 0.000 1.018 171 D HN -0.028 nan 8.370 nan 0.000 0.444 172 P HA 0.136 nan 4.420 nan 0.000 0.263 172 P C -0.326 176.741 177.300 -0.388 0.000 1.195 172 P CA 0.336 63.136 63.100 -0.500 0.000 0.762 172 P CB 0.584 31.685 31.700 -0.998 0.000 0.799 173 I N 3.442 123.914 120.570 -0.163 0.000 2.693 173 I HA 0.384 4.554 4.170 -0.000 0.000 0.303 173 I C -0.617 175.529 176.117 0.048 0.000 1.025 173 I CA -1.500 59.770 61.300 -0.049 0.000 1.086 173 I CB 1.567 39.557 38.000 -0.016 0.000 1.268 173 I HN 0.217 nan 8.210 nan 0.000 0.440 174 Y N 4.540 124.942 120.300 0.170 0.000 2.310 174 Y HA 0.465 5.014 4.550 -0.000 0.000 0.326 174 Y C -0.258 175.692 175.900 0.083 0.000 1.151 174 Y CA -0.927 57.258 58.100 0.142 0.000 1.195 174 Y CB 1.778 40.298 38.460 0.100 0.000 1.210 174 Y HN 0.139 nan 8.280 nan 0.000 0.483 175 V N 3.860 123.959 119.914 0.309 0.000 2.357 175 V HA 0.142 4.261 4.120 -0.000 0.000 0.284 175 V C -0.790 175.353 176.094 0.083 0.000 1.018 175 V CA -0.959 61.434 62.300 0.154 0.000 0.841 175 V CB 1.186 33.114 31.823 0.175 0.000 0.991 175 V HN 0.677 nan 8.190 nan 0.000 0.437 176 D N 3.775 124.183 120.400 0.013 0.000 2.317 176 D HA 0.372 5.012 4.640 -0.000 0.000 0.252 176 D C -0.344 175.943 176.300 -0.021 0.000 1.174 176 D CA 0.208 54.186 54.000 -0.036 0.000 0.866 176 D CB 1.753 42.518 40.800 -0.059 0.000 1.127 176 D HN 0.256 nan 8.370 nan 0.000 0.467 177 V N 2.899 122.803 119.914 -0.016 0.000 2.349 177 V HA 0.317 4.437 4.120 -0.000 0.000 0.284 177 V C 0.200 176.299 176.094 0.009 0.000 1.014 177 V CA -0.810 61.494 62.300 0.007 0.000 0.826 177 V CB 1.469 33.307 31.823 0.025 0.000 1.009 177 V HN 0.646 nan 8.190 nan 0.000 0.431 178 T N 2.490 117.053 114.554 0.014 0.000 2.749 178 T HA 0.702 5.052 4.350 -0.000 0.000 0.287 178 T C -0.565 174.155 174.700 0.033 0.000 0.970 178 T CA -0.718 61.393 62.100 0.018 0.000 0.980 178 T CB 1.638 70.514 68.868 0.013 0.000 0.924 178 T HN 0.476 nan 8.240 nan 0.000 0.456 179 Q N 2.336 122.158 119.800 0.038 0.000 2.423 179 Q HA 0.441 4.780 4.340 -0.000 0.000 0.278 179 Q C -2.844 173.177 176.000 0.035 0.000 1.097 179 Q CA -2.359 53.470 55.803 0.044 0.000 0.809 179 Q CB 2.321 31.095 28.738 0.060 0.000 1.391 179 Q HN 0.449 nan 8.270 nan 0.000 0.428 180 P HA -0.083 nan 4.420 nan 0.000 0.265 180 P C 0.658 177.972 177.300 0.024 0.000 1.187 180 P CA 0.579 63.693 63.100 0.023 0.000 0.766 180 P CB 0.555 32.268 31.700 0.021 0.000 0.820 181 S N 1.268 116.979 115.700 0.018 0.000 2.419 181 S HA -0.220 4.250 4.470 -0.000 0.000 0.235 181 S C 1.737 176.343 174.600 0.010 0.000 1.019 181 S CA 1.962 60.171 58.200 0.015 0.000 0.982 181 S CB -1.750 61.455 63.200 0.010 0.000 0.789 181 S HN 0.633 nan 8.310 nan 0.000 0.490 182 T N 1.084 115.643 114.554 0.009 0.000 2.674 182 T HA 0.025 4.374 4.350 -0.000 0.000 0.265 182 T C 2.069 176.771 174.700 0.003 0.000 1.039 182 T CA 1.249 63.351 62.100 0.003 0.000 1.150 182 T CB -1.138 67.732 68.868 0.004 0.000 0.864 182 T HN 0.562 nan 8.240 nan 0.000 0.427 183 A N 1.751 124.580 122.820 0.014 0.000 1.927 183 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 183 A C 2.387 179.983 177.584 0.019 0.000 1.185 183 A CA 2.001 54.051 52.037 0.022 0.000 0.639 183 A CB -1.040 17.983 19.000 0.038 0.000 0.820 183 A HN 0.537 nan 8.150 nan 0.000 0.451 184 L N -1.366 119.873 121.223 0.026 0.000 2.109 184 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 184 L C 2.188 179.034 176.870 -0.041 0.000 1.086 184 L CA 1.730 56.588 54.840 0.031 0.000 0.760 184 L CB -0.434 41.663 42.059 0.064 0.000 0.910 184 L HN 0.298 nan 8.230 nan 0.000 0.437 185 L N -0.351 120.850 121.223 -0.036 0.000 2.156 185 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 185 L C 2.753 179.575 176.870 -0.081 0.000 1.095 185 L CA 1.600 56.404 54.840 -0.061 0.000 0.770 185 L CB -0.540 41.497 42.059 -0.036 0.000 0.914 185 L HN 0.363 nan 8.230 nan 0.000 0.439 186 R N -0.250 120.216 120.500 -0.058 0.000 2.103 186 R HA -0.225 4.115 4.340 -0.000 0.000 0.234 186 R C 2.204 178.442 176.300 -0.104 0.000 1.132 186 R CA 2.354 58.419 56.100 -0.058 0.000 0.925 186 R CB -0.705 29.579 30.300 -0.027 0.000 0.842 186 R HN 0.354 nan 8.270 nan 0.000 0.430 187 L N 0.224 121.370 121.223 -0.129 0.000 2.079 187 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 187 L C 2.826 179.401 176.870 -0.491 0.000 1.081 187 L CA 1.685 56.384 54.840 -0.235 0.000 0.752 187 L CB -0.408 41.554 42.059 -0.161 0.000 0.896 187 L HN 0.290 nan 8.230 nan 0.000 0.433 188 R N -0.551 119.660 120.500 -0.482 0.000 2.115 188 R HA -0.059 4.281 4.340 -0.000 0.000 0.226 188 R C 2.426 178.568 176.300 -0.264 0.000 1.100 188 R CA 0.725 56.533 56.100 -0.487 0.000 0.980 188 R CB -0.179 29.930 30.300 -0.317 0.000 0.875 188 R HN 0.354 nan 8.270 nan 0.000 0.445 189 R N 1.020 121.413 120.500 -0.178 0.000 2.062 189 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 189 R C 1.952 178.191 176.300 -0.101 0.000 1.136 189 R CA 1.403 57.437 56.100 -0.110 0.000 0.948 189 R CB -0.158 30.097 30.300 -0.076 0.000 0.845 189 R HN 0.312 nan 8.270 nan 0.000 0.430 190 E N 0.540 120.674 120.200 -0.110 0.000 2.331 190 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 190 E C 1.757 178.318 176.600 -0.066 0.000 1.008 190 E CA 0.779 57.136 56.400 -0.073 0.000 0.843 190 E CB 0.001 29.668 29.700 -0.056 0.000 0.761 190 E HN 0.154 nan 8.360 nan 0.000 0.507 191 L N 0.054 121.208 121.223 -0.114 0.000 2.145 191 L HA 0.124 4.464 4.340 -0.000 0.000 0.201 191 L C 2.161 179.006 176.870 -0.041 0.000 1.075 191 L CA 1.361 56.162 54.840 -0.066 0.000 0.773 191 L CB -0.342 41.647 42.059 -0.117 0.000 0.936 191 L HN -0.014 nan 8.230 nan 0.000 0.451 192 A N -0.411 122.370 122.820 -0.064 0.000 1.883 192 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 192 A C 2.498 180.067 177.584 -0.025 0.000 1.186 192 A CA 2.304 54.318 52.037 -0.039 0.000 0.624 192 A CB -1.248 17.723 19.000 -0.048 0.000 0.822 192 A HN 0.655 nan 8.150 nan 0.000 0.444 193 S N -1.537 114.144 115.700 -0.030 0.000 2.348 193 S HA 0.253 4.723 4.470 -0.000 0.000 0.221 193 S C 1.560 176.154 174.600 -0.010 0.000 1.033 193 S CA 1.890 60.078 58.200 -0.019 0.000 1.010 193 S CB -0.605 62.582 63.200 -0.022 0.000 0.891 193 S HN 1.995 nan 8.310 nan 0.000 0.442 194 G N 0.082 108.877 108.800 -0.008 0.000 2.200 194 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.145 194 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.145 194 G C 0.381 175.286 174.900 0.007 0.000 1.021 194 G CA 0.141 45.243 45.100 0.003 0.000 0.720 194 G HN 0.510 nan 8.290 nan 0.000 0.494 195 Q N -0.850 118.951 119.800 0.003 0.000 2.482 195 Q HA 0.406 4.746 4.340 -0.000 0.000 0.209 195 Q C 0.116 176.128 176.000 0.020 0.000 0.961 195 Q CA 0.527 56.335 55.803 0.008 0.000 0.945 195 Q CB 0.491 29.230 28.738 0.001 0.000 1.012 195 Q HN 0.345 nan 8.270 nan 0.000 0.515 196 L N 0.833 122.072 121.223 0.027 0.000 2.439 196 L HA 0.234 4.574 4.340 -0.000 0.000 0.270 196 L C -0.626 176.279 176.870 0.057 0.000 0.972 196 L CA -0.500 54.371 54.840 0.051 0.000 0.836 196 L CB 2.066 44.162 42.059 0.062 0.000 1.255 196 L HN -0.084 nan 8.230 nan 0.000 0.404 197 E N 4.421 124.656 120.200 0.059 0.000 2.498 197 E HA 0.004 4.353 4.350 -0.000 0.000 0.252 197 E C -0.223 176.413 176.600 0.060 0.000 1.025 197 E CA -0.024 56.407 56.400 0.051 0.000 0.938 197 E CB 0.478 30.206 29.700 0.046 0.000 0.947 197 E HN 0.280 nan 8.360 nan 0.000 0.478 198 R N 1.852 122.382 120.500 0.050 0.000 2.421 198 R HA 0.049 4.389 4.340 -0.000 0.000 0.305 198 R C 0.584 176.905 176.300 0.033 0.000 1.039 198 R CA 0.128 56.260 56.100 0.052 0.000 1.003 198 R CB 0.938 31.262 30.300 0.041 0.000 0.959 198 R HN 0.511 nan 8.270 nan 0.000 0.427 199 A N 2.372 125.209 122.820 0.030 0.000 2.147 199 A HA 0.291 4.611 4.320 -0.000 0.000 0.211 199 A C 0.962 178.545 177.584 -0.002 0.000 1.160 199 A CA 1.079 53.114 52.037 -0.004 0.000 0.781 199 A CB 0.383 19.360 19.000 -0.038 0.000 0.842 199 A HN 0.838 nan 8.150 nan 0.000 0.475 200 G N -0.915 107.896 108.800 0.018 0.000 2.373 200 G HA2 0.235 4.195 3.960 -0.000 0.000 0.250 200 G HA3 0.235 4.195 3.960 -0.000 0.000 0.250 200 G C -1.825 173.096 174.900 0.035 0.000 1.304 200 G CA -0.266 44.845 45.100 0.019 0.000 0.948 200 G HN 0.014 nan 8.290 nan 0.000 0.474 201 D N 0.543 120.961 120.400 0.031 0.000 2.346 201 D HA 0.449 5.089 4.640 -0.000 0.000 0.260 201 D C 0.894 177.228 176.300 0.058 0.000 1.252 201 D CA 0.970 54.994 54.000 0.040 0.000 0.895 201 D CB 0.192 41.010 40.800 0.031 0.000 1.097 201 D HN 0.675 nan 8.370 nan 0.000 0.489 202 N N 1.690 120.443 118.700 0.089 0.000 2.782 202 N HA -0.226 4.514 4.740 -0.000 0.000 0.251 202 N C -1.590 174.039 175.510 0.199 0.000 1.101 202 N CA 1.084 54.224 53.050 0.150 0.000 0.764 202 N CB -0.811 37.744 38.487 0.113 0.000 1.122 202 N HN 0.398 nan 8.380 nan 0.000 0.561 203 A N -0.869 122.032 122.820 0.136 0.000 2.414 203 A HA 0.897 5.217 4.320 -0.000 0.000 0.306 203 A C -0.366 177.276 177.584 0.096 0.000 1.054 203 A CA -0.001 52.050 52.037 0.024 0.000 0.724 203 A CB 1.702 20.667 19.000 -0.059 0.000 1.267 203 A HN 0.608 nan 8.150 nan 0.000 0.418 204 A N 1.721 124.573 122.820 0.054 0.000 2.305 204 A HA 0.634 4.953 4.320 -0.000 0.000 0.322 204 A C 0.031 177.614 177.584 -0.002 0.000 1.187 204 A CA -0.609 51.497 52.037 0.115 0.000 0.825 204 A CB 0.323 19.496 19.000 0.289 0.000 1.164 204 A HN 0.779 nan 8.150 nan 0.000 0.498 205 K N 0.814 121.223 120.400 0.015 0.000 2.489 205 K HA 0.351 4.670 4.320 -0.000 0.000 0.278 205 K C -0.517 176.092 176.600 0.014 0.000 1.000 205 K CA 0.362 56.643 56.287 -0.010 0.000 1.012 205 K CB 0.520 33.027 32.500 0.012 0.000 0.903 205 K HN 0.420 nan 8.250 nan 0.000 0.485 206 V N 1.152 121.065 119.914 -0.001 0.000 3.167 206 V HA 0.404 4.524 4.120 -0.000 0.000 0.310 206 V C -0.739 175.500 176.094 0.241 0.000 1.207 206 V CA -0.752 61.609 62.300 0.102 0.000 1.059 206 V CB 2.693 34.573 31.823 0.095 0.000 1.079 206 V HN 0.821 nan 8.190 nan 0.000 0.446 207 S N 0.806 116.715 115.700 0.349 0.000 2.627 207 S HA 0.845 5.315 4.470 -0.000 0.000 0.283 207 S C -1.629 173.156 174.600 0.308 0.000 1.127 207 S CA -0.440 57.989 58.200 0.382 0.000 0.863 207 S CB 2.063 65.386 63.200 0.204 0.000 1.121 207 S HN 0.539 nan 8.310 nan 0.000 0.479 208 L N 2.060 123.349 121.223 0.111 0.000 2.401 208 L HA 0.683 5.023 4.340 -0.000 0.000 0.266 208 L C -0.961 175.900 176.870 -0.014 0.000 0.991 208 L CA -0.294 54.474 54.840 -0.120 0.000 0.818 208 L CB 1.695 43.291 42.059 -0.772 0.000 1.321 208 L HN 0.673 nan 8.230 nan 0.000 0.413 209 K N 4.635 125.042 120.400 0.012 0.000 2.345 209 K HA 0.674 4.994 4.320 -0.000 0.000 0.255 209 K C -1.427 175.203 176.600 0.049 0.000 0.934 209 K CA -0.614 55.707 56.287 0.057 0.000 0.801 209 K CB 1.201 33.757 32.500 0.094 0.000 1.137 209 K HN 0.675 nan 8.250 nan 0.000 0.424 210 L N 3.036 124.281 121.223 0.037 0.000 2.454 210 L HA 0.270 4.610 4.340 -0.000 0.000 0.256 210 L C 1.498 178.411 176.870 0.071 0.000 1.136 210 L CA -0.587 54.265 54.840 0.020 0.000 0.804 210 L CB 0.766 42.829 42.059 0.005 0.000 1.181 210 L HN 0.802 nan 8.230 nan 0.000 0.469 211 E N 0.837 121.078 120.200 0.069 0.000 2.097 211 E HA -0.257 4.092 4.350 -0.000 0.000 0.196 211 E C 1.146 177.790 176.600 0.072 0.000 1.000 211 E CA 1.649 58.108 56.400 0.098 0.000 0.804 211 E CB -0.182 29.582 29.700 0.107 0.000 0.740 211 E HN 0.777 nan 8.360 nan 0.000 0.454 212 D N -0.145 120.286 120.400 0.052 0.000 2.403 212 D HA -0.091 4.548 4.640 -0.000 0.000 0.227 212 D C 1.345 177.667 176.300 0.036 0.000 0.995 212 D CA 1.044 55.067 54.000 0.039 0.000 0.928 212 D CB -0.118 40.701 40.800 0.032 0.000 0.887 212 D HN 0.316 nan 8.370 nan 0.000 0.529 213 G N 0.165 108.993 108.800 0.046 0.000 2.212 213 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.266 213 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.266 213 G C 0.427 175.348 174.900 0.034 0.000 0.978 213 G CA 0.714 45.835 45.100 0.036 0.000 0.632 213 G HN 0.898 nan 8.290 nan 0.000 0.537 214 S N 0.221 115.944 115.700 0.038 0.000 2.585 214 S HA 0.569 5.038 4.470 -0.000 0.000 0.273 214 S C 0.145 174.776 174.600 0.052 0.000 1.339 214 S CA -0.281 57.943 58.200 0.039 0.000 1.028 214 S CB 1.585 64.809 63.200 0.040 0.000 0.906 214 S HN 0.311 nan 8.310 nan 0.000 0.528 215 Q N 1.893 121.722 119.800 0.049 0.000 2.337 215 Q HA 0.186 4.525 4.340 -0.000 0.000 0.255 215 Q C -0.968 175.084 176.000 0.086 0.000 0.997 215 Q CA -0.215 55.626 55.803 0.063 0.000 0.925 215 Q CB 0.594 29.357 28.738 0.042 0.000 1.212 215 Q HN 0.785 nan 8.270 nan 0.000 0.436 216 Y N 6.315 126.585 120.300 -0.050 0.000 2.729 216 Y HA -0.028 4.522 4.550 -0.000 0.000 0.331 216 Y C -1.223 174.668 175.900 -0.015 0.000 1.208 216 Y CA -1.305 56.757 58.100 -0.064 0.000 1.521 216 Y CB 0.643 39.001 38.460 -0.170 0.000 1.233 216 Y HN 0.498 nan 8.280 nan 0.000 0.539 217 P HA -0.088 nan 4.420 nan 0.000 0.234 217 P C 0.950 178.101 177.300 -0.249 0.000 1.167 217 P CA 1.188 64.128 63.100 -0.266 0.000 0.763 217 P CB 0.346 31.891 31.700 -0.258 0.000 0.835 218 L N -1.107 119.892 121.223 -0.373 0.000 2.269 218 L HA 0.191 4.531 4.340 -0.000 0.000 0.200 218 L C 0.635 177.603 176.870 0.164 0.000 1.069 218 L CA 0.129 54.910 54.840 -0.099 0.000 0.804 218 L CB -0.299 41.691 42.059 -0.116 0.000 0.987 218 L HN -0.010 nan 8.230 nan 0.000 0.468 219 E N -0.438 120.036 120.200 0.456 0.000 7.527 219 E HA -0.078 4.271 4.350 -0.000 0.000 0.372 219 E C -0.779 175.841 176.600 0.034 0.000 0.613 219 E CA 0.185 56.803 56.400 0.363 0.000 1.157 219 E CB -0.721 29.063 29.700 0.139 0.000 0.937 219 E HN 0.288 nan 8.360 nan 0.000 0.262 220 G N 3.327 111.804 108.800 -0.537 0.000 3.211 220 G HA2 0.774 4.734 3.960 -0.000 0.000 0.262 220 G HA3 0.774 4.734 3.960 -0.000 0.000 0.262 220 G C -0.889 173.687 174.900 -0.539 0.000 1.352 220 G CA -0.480 44.077 45.100 -0.906 0.000 1.004 220 G HN 0.606 nan 8.290 nan 0.000 0.559 221 R N -0.562 119.668 120.500 -0.450 0.000 2.494 221 R HA 0.617 4.956 4.340 -0.000 0.000 0.305 221 R C -1.712 174.425 176.300 -0.271 0.000 0.959 221 R CA -0.774 55.167 56.100 -0.266 0.000 0.864 221 R CB 1.865 32.068 30.300 -0.161 0.000 1.159 221 R HN 0.364 nan 8.270 nan 0.000 0.446 222 L N 2.305 123.366 121.223 -0.271 0.000 2.257 222 L HA 0.352 4.692 4.340 -0.000 0.000 0.290 222 L C -0.654 175.863 176.870 -0.588 0.000 1.044 222 L CA -0.210 54.410 54.840 -0.367 0.000 0.810 222 L CB 1.188 43.024 42.059 -0.371 0.000 1.193 222 L HN 0.721 nan 8.230 nan 0.000 0.425 223 E N 3.164 123.099 120.200 -0.441 0.000 2.174 223 E HA 0.256 4.606 4.350 -0.000 0.000 0.282 223 E C -0.108 176.260 176.600 -0.386 0.000 0.992 223 E CA 0.135 56.332 56.400 -0.338 0.000 0.803 223 E CB 0.755 30.378 29.700 -0.128 0.000 1.090 223 E HN 0.569 nan 8.360 nan 0.000 0.396 224 F N 1.259 121.209 119.950 -0.000 0.000 2.743 224 F HA 0.063 4.589 4.527 -0.000 0.000 0.297 224 F C 1.352 177.146 175.800 -0.009 0.000 1.131 224 F CA -0.138 57.860 58.000 -0.003 0.000 1.426 224 F CB 0.373 39.373 39.000 0.001 0.000 1.116 224 F HN 0.334 nan 8.300 nan 0.000 0.583 225 S N 1.789 117.554 115.700 0.110 0.000 2.544 225 S HA -0.022 4.448 4.470 -0.000 0.000 0.290 225 S C -0.055 174.554 174.600 0.016 0.000 1.276 225 S CA -0.742 57.490 58.200 0.053 0.000 1.075 225 S CB 0.007 63.221 63.200 0.025 0.000 0.849 225 S HN 0.209 nan 8.310 nan 0.000 0.494 226 E N 3.811 124.024 120.200 0.021 0.000 2.344 226 E HA 0.221 4.571 4.350 -0.000 0.000 0.270 226 E C 0.738 177.320 176.600 -0.030 0.000 1.021 226 E CA -0.453 55.948 56.400 0.002 0.000 0.887 226 E CB 0.784 30.491 29.700 0.012 0.000 0.997 226 E HN 0.377 nan 8.360 nan 0.000 0.429 227 V N 1.176 121.057 119.914 -0.054 0.000 2.795 227 V HA 0.067 4.186 4.120 -0.000 0.000 0.243 227 V C 0.455 176.513 176.094 -0.060 0.000 1.069 227 V CA 1.160 63.412 62.300 -0.080 0.000 1.089 227 V CB 0.036 31.777 31.823 -0.137 0.000 0.756 227 V HN 0.761 nan 8.190 nan 0.000 0.471 228 S N -0.788 114.884 115.700 -0.046 0.000 2.537 228 S HA 0.684 5.154 4.470 -0.000 0.000 0.271 228 S C -1.316 173.272 174.600 -0.021 0.000 1.148 228 S CA -0.607 57.572 58.200 -0.034 0.000 0.868 228 S CB 2.072 65.248 63.200 -0.040 0.000 1.115 228 S HN -0.033 nan 8.310 nan 0.000 0.461 229 V N 1.953 121.858 119.914 -0.015 0.000 2.628 229 V HA 0.562 4.681 4.120 -0.000 0.000 0.306 229 V C -0.123 175.967 176.094 -0.007 0.000 1.045 229 V CA -0.687 61.609 62.300 -0.007 0.000 0.905 229 V CB 1.648 33.469 31.823 -0.004 0.000 0.997 229 V HN 1.028 nan 8.190 nan 0.000 0.436 230 D N 1.624 122.022 120.400 -0.004 0.000 2.313 230 D HA 0.267 4.907 4.640 -0.000 0.000 0.247 230 D C 0.937 177.236 176.300 -0.002 0.000 1.094 230 D CA -0.175 53.823 54.000 -0.003 0.000 0.925 230 D CB 1.447 42.247 40.800 0.001 0.000 1.188 230 D HN 0.693 nan 8.370 nan 0.000 0.430 231 E N 1.165 121.364 120.200 -0.002 0.000 1.997 231 E HA 0.007 4.357 4.350 -0.000 0.000 0.196 231 E C 1.919 178.519 176.600 -0.000 0.000 0.990 231 E CA 0.957 57.356 56.400 -0.002 0.000 0.845 231 E CB -0.512 29.187 29.700 -0.002 0.000 0.795 231 E HN 0.537 nan 8.360 nan 0.000 0.479 232 G N 0.444 109.244 108.800 0.001 0.000 2.434 232 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.214 232 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.214 232 G C 1.723 176.624 174.900 0.003 0.000 1.202 232 G CA 1.517 46.618 45.100 0.002 0.000 0.788 232 G HN 0.263 nan 8.290 nan 0.000 0.539 233 T N 0.852 115.408 114.554 0.004 0.000 2.759 233 T HA 0.108 4.458 4.350 -0.000 0.000 0.269 233 T C 2.133 176.836 174.700 0.006 0.000 1.042 233 T CA 1.926 64.030 62.100 0.006 0.000 1.140 233 T CB -0.611 68.262 68.868 0.008 0.000 0.864 233 T HN 1.241 nan 8.240 nan 0.000 0.455 234 G N 1.651 110.454 108.800 0.004 0.000 2.168 234 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.263 234 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.263 234 G C 0.351 175.255 174.900 0.007 0.000 0.977 234 G CA 0.480 45.582 45.100 0.004 0.000 0.659 234 G HN 1.014 nan 8.290 nan 0.000 0.533 235 S N -0.488 115.217 115.700 0.008 0.000 2.513 235 S HA 0.700 5.170 4.470 -0.000 0.000 0.276 235 S C 0.282 174.888 174.600 0.010 0.000 1.254 235 S CA -0.319 57.889 58.200 0.012 0.000 1.053 235 S CB 2.516 65.725 63.200 0.015 0.000 0.958 235 S HN 0.967 nan 8.310 nan 0.000 0.491 236 V N 3.050 122.973 119.914 0.015 0.000 2.686 236 V HA 0.426 4.546 4.120 -0.000 0.000 0.295 236 V C 0.608 176.708 176.094 0.009 0.000 1.057 236 V CA -0.585 61.723 62.300 0.012 0.000 1.012 236 V CB 1.415 33.252 31.823 0.023 0.000 1.006 236 V HN 1.009 nan 8.190 nan 0.000 0.477 237 T N 5.498 120.048 114.554 -0.006 0.000 2.779 237 T HA 0.707 5.057 4.350 -0.000 0.000 0.280 237 T C -0.226 174.453 174.700 -0.035 0.000 0.987 237 T CA -0.129 61.958 62.100 -0.021 0.000 0.966 237 T CB 0.789 69.634 68.868 -0.038 0.000 0.933 237 T HN 0.654 nan 8.240 nan 0.000 0.442 238 I N 0.579 121.128 120.570 -0.035 0.000 3.206 238 I HA 0.873 5.043 4.170 -0.000 0.000 0.313 238 I C -0.909 175.148 176.117 -0.099 0.000 1.103 238 I CA -1.786 59.475 61.300 -0.065 0.000 0.985 238 I CB 2.249 40.231 38.000 -0.029 0.000 1.240 238 I HN 0.533 nan 8.210 nan 0.000 0.464 239 R N 2.027 122.443 120.500 -0.140 0.000 2.673 239 R HA 0.874 5.213 4.340 -0.000 0.000 0.281 239 R C -1.297 174.966 176.300 -0.060 0.000 0.991 239 R CA -0.862 55.161 56.100 -0.128 0.000 0.896 239 R CB 1.795 31.889 30.300 -0.344 0.000 1.201 239 R HN 0.846 nan 8.270 nan 0.000 0.457 240 A N 2.152 124.994 122.820 0.038 0.000 2.295 240 A HA 0.660 4.980 4.320 -0.000 0.000 0.318 240 A C -0.423 177.278 177.584 0.195 0.000 1.134 240 A CA -0.798 51.261 52.037 0.036 0.000 0.827 240 A CB 1.380 20.425 19.000 0.074 0.000 1.136 240 A HN 0.439 nan 8.150 nan 0.000 0.493 241 V N 1.334 121.264 119.914 0.026 0.000 2.448 241 V HA 0.514 4.633 4.120 -0.000 0.000 0.295 241 V C -1.068 174.871 176.094 -0.259 0.000 1.025 241 V CA -0.169 62.152 62.300 0.035 0.000 0.859 241 V CB 0.682 32.533 31.823 0.047 0.000 0.988 241 V HN 0.697 nan 8.190 nan 0.000 0.431 242 F N 4.909 124.856 119.950 -0.005 0.000 2.495 242 F HA 0.615 5.142 4.527 -0.000 0.000 0.327 242 F C -2.254 173.538 175.800 -0.014 0.000 1.103 242 F CA -2.463 55.550 58.000 0.020 0.000 0.949 242 F CB 2.411 41.427 39.000 0.027 0.000 1.142 242 F HN 0.319 nan 8.300 nan 0.000 0.457 243 P HA 0.082 nan 4.420 nan 0.000 0.269 243 P C -0.717 176.705 177.300 0.204 0.000 1.209 243 P CA 0.056 63.212 63.100 0.093 0.000 0.776 243 P CB 0.500 32.244 31.700 0.072 0.000 0.876 244 N N 2.124 120.883 118.700 0.097 0.000 2.664 244 N HA 0.172 4.912 4.740 -0.000 0.000 0.287 244 N C -2.022 173.524 175.510 0.060 0.000 1.869 244 N CA -1.726 51.402 53.050 0.130 0.000 0.832 244 N CB 0.241 38.762 38.487 0.056 0.000 1.293 244 N HN 0.122 nan 8.380 nan 0.000 0.498 245 P HA -0.001 nan 4.420 nan 0.000 0.225 245 P C -0.551 176.757 177.300 0.013 0.000 1.156 245 P CA 0.743 63.849 63.100 0.010 0.000 0.787 245 P CB 0.365 32.063 31.700 -0.004 0.000 0.802 246 N N 0.648 119.367 118.700 0.032 0.000 2.430 246 N HA 0.131 4.871 4.740 -0.000 0.000 0.298 246 N C -0.291 175.243 175.510 0.041 0.000 1.130 246 N CA -0.505 52.561 53.050 0.028 0.000 0.894 246 N CB 0.424 38.928 38.487 0.029 0.000 1.209 246 N HN -0.160 nan 8.380 nan 0.000 0.503 247 N N 0.683 119.400 118.700 0.028 0.000 3.250 247 N HA 0.084 4.824 4.740 -0.000 0.000 0.307 247 N C 0.632 176.160 175.510 0.029 0.000 1.355 247 N CA -0.030 53.035 53.050 0.024 0.000 1.192 247 N CB 0.283 38.776 38.487 0.009 0.000 1.478 247 N HN 0.507 nan 8.380 nan 0.000 0.543 248 E N -0.259 119.979 120.200 0.064 0.000 2.072 248 E HA -0.007 4.343 4.350 -0.000 0.000 0.190 248 E C -0.046 176.560 176.600 0.009 0.000 0.982 248 E CA 0.713 57.155 56.400 0.070 0.000 0.803 248 E CB 0.284 30.090 29.700 0.176 0.000 0.755 248 E HN 0.415 nan 8.360 nan 0.000 0.453 249 L N 1.864 123.064 121.223 -0.040 0.000 2.312 249 L HA 0.381 4.721 4.340 -0.000 0.000 0.281 249 L C -0.214 176.611 176.870 -0.075 0.000 1.070 249 L CA -0.405 54.359 54.840 -0.127 0.000 0.805 249 L CB 0.848 42.746 42.059 -0.268 0.000 1.174 249 L HN -0.009 nan 8.230 nan 0.000 0.434 250 L N 2.619 123.798 121.223 -0.074 0.000 2.333 250 L HA 0.594 4.934 4.340 -0.000 0.000 0.263 250 L C -2.420 174.410 176.870 -0.068 0.000 1.014 250 L CA -2.243 52.566 54.840 -0.053 0.000 0.820 250 L CB 2.116 44.152 42.059 -0.037 0.000 1.352 250 L HN 0.290 nan 8.230 nan 0.000 0.421 251 P HA 0.107 nan 4.420 nan 0.000 0.267 251 P C 0.593 177.832 177.300 -0.103 0.000 1.200 251 P CA 0.640 63.702 63.100 -0.064 0.000 0.772 251 P CB 0.591 32.268 31.700 -0.038 0.000 0.855 252 G N 0.830 109.535 108.800 -0.158 0.000 2.157 252 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.239 252 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.239 252 G C 0.080 174.761 174.900 -0.364 0.000 0.982 252 G CA -0.351 44.597 45.100 -0.253 0.000 0.650 252 G HN 0.433 nan 8.290 nan 0.000 0.527 253 M N 0.135 119.569 119.600 -0.277 0.000 2.235 253 M HA 0.566 5.046 4.480 -0.000 0.000 0.351 253 M C 0.001 176.104 176.300 -0.328 0.000 1.178 253 M CA -0.327 54.835 55.300 -0.231 0.000 1.143 253 M CB 0.525 33.041 32.600 -0.140 0.000 1.530 253 M HN 0.083 nan 8.290 nan 0.000 0.461 254 F N 3.149 123.053 119.950 -0.077 0.000 2.424 254 F HA 0.468 4.994 4.527 -0.000 0.000 0.356 254 F C 0.289 175.999 175.800 -0.150 0.000 1.110 254 F CA -0.471 57.463 58.000 -0.110 0.000 1.161 254 F CB 0.477 39.429 39.000 -0.079 0.000 1.115 254 F HN 0.304 nan 8.300 nan 0.000 0.507 255 V N 0.356 120.216 119.914 -0.089 0.000 3.182 255 V HA 0.609 4.729 4.120 -0.000 0.000 0.308 255 V C -1.260 174.613 176.094 -0.368 0.000 1.240 255 V CA -0.886 61.325 62.300 -0.147 0.000 1.063 255 V CB 2.542 34.276 31.823 -0.148 0.000 1.076 255 V HN 0.643 nan 8.190 nan 0.000 0.446 256 H N 0.812 119.888 119.070 0.011 0.000 2.609 256 H HA 0.758 5.314 4.556 -0.000 0.000 0.344 256 H C -0.051 175.297 175.328 0.033 0.000 1.040 256 H CA 0.165 56.233 56.048 0.033 0.000 1.216 256 H CB 2.019 31.803 29.762 0.037 0.000 1.529 256 H HN 1.173 nan 8.280 nan 0.000 0.519 257 A N 3.370 126.279 122.820 0.149 0.000 2.363 257 A HA 0.292 4.612 4.320 -0.000 0.000 0.270 257 A C 0.005 177.695 177.584 0.177 0.000 1.121 257 A CA -0.440 51.706 52.037 0.181 0.000 0.800 257 A CB 0.478 19.592 19.000 0.190 0.000 1.052 257 A HN 0.734 nan 8.150 nan 0.000 0.493 258 Q N 0.703 120.610 119.800 0.178 0.000 2.333 258 Q HA 0.547 4.886 4.340 -0.000 0.000 0.265 258 Q C -1.372 174.707 176.000 0.132 0.000 0.989 258 Q CA -0.544 55.343 55.803 0.139 0.000 0.842 258 Q CB 2.156 30.966 28.738 0.120 0.000 1.262 258 Q HN 0.579 nan 8.270 nan 0.000 0.451 259 L N 3.444 124.735 121.223 0.113 0.000 2.346 259 L HA 0.346 4.686 4.340 -0.000 0.000 0.276 259 L C -0.442 176.479 176.870 0.085 0.000 1.006 259 L CA -0.398 54.507 54.840 0.108 0.000 0.817 259 L CB 1.687 43.823 42.059 0.127 0.000 1.272 259 L HN 0.621 nan 8.230 nan 0.000 0.421 260 Q N 0.000 119.846 119.800 0.077 0.000 2.315 260 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 260 Q CA 0.000 55.838 55.803 0.059 0.000 1.022 260 Q CB 0.000 28.769 28.738 0.051 0.000 1.108 260 Q HN 0.000 nan 8.270 nan 0.000 0.481