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 3ow7_1_A DATA FIRST_RESID 90 DATA SEQUENCE QNLGVKTATV TRGPLTFAQS FPANVSYNEY QYAIVQARAA GFIDKVYPLT DATA SEQUENCE VGDKVQKGTP LLDLTIPDWV EAQSEYLLLR ETGGTATQTE GILERLRLAG DATA SEQUENCE MPEADIRRLI ATQKIQTRFT LKAPIDGVIT AFDLRAGMNI AKDNVVAKIQ DATA SEQUENCE GMDPVWVTAA IPESIAWLVK DASQFTLTVP ARPDKTLTIR KWTLLPGVDA DATA SEQUENCE ATRTLQLRLE VDNADEALKP GMNAWLQLNT ASEPMLLIPS QALIDTGSEQ DATA SEQUENCE RVITVDADGR FVPKRVAVFQ ASQGVTALRS GLAEGEKVVS SGLFLI 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 90 Q HA 0.000 nan 4.340 nan 0.000 0.214 90 Q C 0.000 176.013 176.000 0.022 0.000 1.003 90 Q CA 0.000 55.786 55.803 -0.029 0.000 1.022 90 Q CB 0.000 28.842 28.738 0.173 0.000 1.108 91 N N 2.524 121.238 118.700 0.023 0.000 2.073 91 N HA -0.001 4.739 4.740 0.000 0.000 0.190 91 N C 1.032 176.568 175.510 0.044 0.000 1.075 91 N CA 2.039 55.099 53.050 0.016 0.000 0.866 91 N CB 0.319 38.811 38.487 0.008 0.000 1.051 91 N HN 0.539 nan 8.380 nan 0.000 0.437 92 L N -3.957 117.297 121.223 0.052 0.000 1.298 92 L HA 0.007 4.347 4.340 0.000 0.000 0.501 92 L C 0.428 177.316 176.870 0.030 0.000 0.777 92 L CA 0.990 55.861 54.840 0.052 0.000 2.346 92 L CB -1.425 40.658 42.059 0.041 0.000 1.177 92 L HN 0.395 nan 8.230 nan 0.000 0.527 93 G N 2.341 111.152 108.800 0.019 0.000 3.392 93 G HA2 0.428 4.388 3.960 0.000 0.000 0.247 93 G HA3 0.428 4.388 3.960 0.000 0.000 0.247 93 G C -0.021 174.880 174.900 0.002 0.000 1.161 93 G CA 0.339 45.445 45.100 0.009 0.000 1.739 93 G HN 0.041 nan 8.290 nan 0.000 0.619 94 V N -0.136 119.777 119.914 -0.002 0.000 2.769 94 V HA 0.465 4.585 4.120 0.000 0.000 0.312 94 V C 0.141 176.219 176.094 -0.026 0.000 1.058 94 V CA -1.110 61.175 62.300 -0.024 0.000 0.952 94 V CB 2.175 33.963 31.823 -0.057 0.000 1.019 94 V HN 0.359 nan 8.190 nan 0.000 0.445 95 K N 1.300 121.679 120.400 -0.035 0.000 2.123 95 K HA 0.544 4.864 4.320 0.000 0.000 0.259 95 K C -0.594 175.980 176.600 -0.043 0.000 0.960 95 K CA -0.296 55.974 56.287 -0.029 0.000 0.872 95 K CB 1.752 34.239 32.500 -0.022 0.000 1.079 95 K HN 0.746 nan 8.250 nan 0.000 0.440 96 T N 2.229 116.765 114.554 -0.031 0.000 2.771 96 T HA 0.589 4.939 4.350 0.000 0.000 0.281 96 T C -0.312 174.374 174.700 -0.024 0.000 0.982 96 T CA -0.378 61.702 62.100 -0.033 0.000 0.978 96 T CB 1.024 69.882 68.868 -0.017 0.000 0.930 96 T HN 0.719 nan 8.240 nan 0.000 0.447 97 A N 3.633 126.437 122.820 -0.028 0.000 3.696 97 A HA 0.955 5.275 4.320 0.000 0.000 0.156 97 A C 0.498 178.072 177.584 -0.016 0.000 1.732 97 A CA -0.296 51.729 52.037 -0.020 0.000 1.004 97 A CB 0.521 19.507 19.000 -0.023 0.000 1.799 97 A HN 1.016 nan 8.150 nan 0.000 0.665 98 T N -2.059 112.487 114.554 -0.014 0.000 3.230 98 T HA 0.355 4.705 4.350 0.000 0.000 0.390 98 T C -1.533 173.161 174.700 -0.010 0.000 1.761 98 T CA -0.432 61.662 62.100 -0.010 0.000 1.129 98 T CB 0.132 68.996 68.868 -0.007 0.000 1.583 98 T HN 0.899 nan 8.240 nan 0.000 0.480 99 V N 5.386 125.295 119.914 -0.008 0.000 2.529 99 V HA 0.440 4.560 4.120 0.000 0.000 0.292 99 V C 1.064 177.152 176.094 -0.010 0.000 1.028 99 V CA 0.470 62.765 62.300 -0.008 0.000 1.074 99 V CB 0.715 32.535 31.823 -0.006 0.000 0.958 99 V HN 1.041 nan 8.190 nan 0.000 0.481 100 T N 3.622 118.168 114.554 -0.012 0.000 2.856 100 T HA 0.621 4.971 4.350 0.000 0.000 0.283 100 T C -0.365 174.324 174.700 -0.019 0.000 1.008 100 T CA -0.924 61.167 62.100 -0.015 0.000 0.997 100 T CB 1.809 70.667 68.868 -0.017 0.000 0.992 100 T HN 0.607 nan 8.240 nan 0.000 0.454 101 R N 0.535 121.022 120.500 -0.021 0.000 2.459 101 R HA 0.679 5.019 4.340 0.000 0.000 0.281 101 R C 0.319 176.600 176.300 -0.032 0.000 1.050 101 R CA 0.366 56.450 56.100 -0.026 0.000 1.055 101 R CB 0.414 30.700 30.300 -0.024 0.000 1.045 101 R HN 1.168 nan 8.270 nan 0.000 0.495 102 G N 2.891 111.667 108.800 -0.041 0.000 2.359 102 G HA2 0.133 4.093 3.960 0.000 0.000 0.293 102 G HA3 0.133 4.093 3.960 0.000 0.000 0.293 102 G C -3.261 171.600 174.900 -0.064 0.000 1.300 102 G CA -0.995 44.076 45.100 -0.049 0.000 0.888 102 G HN 0.498 nan 8.290 nan 0.000 0.541 103 P HA 0.767 nan 4.420 nan 0.000 0.290 103 P C -0.650 176.566 177.300 -0.139 0.000 1.302 103 P CA -0.851 62.181 63.100 -0.114 0.000 0.893 103 P CB 1.584 33.209 31.700 -0.126 0.000 1.272 104 L N -0.082 121.012 121.223 -0.215 0.000 2.334 104 L HA 0.638 4.978 4.340 0.000 0.000 0.270 104 L C 0.341 176.920 176.870 -0.484 0.000 1.018 104 L CA -0.446 54.233 54.840 -0.267 0.000 0.811 104 L CB 1.696 43.644 42.059 -0.186 0.000 1.271 104 L HN 0.407 nan 8.230 nan 0.000 0.443 105 T N -1.409 112.928 114.554 -0.361 0.000 2.809 105 T HA 0.579 4.929 4.350 0.000 0.000 0.296 105 T C -0.678 173.909 174.700 -0.189 0.000 1.015 105 T CA -0.548 61.355 62.100 -0.330 0.000 0.954 105 T CB 0.200 68.978 68.868 -0.150 0.000 0.950 105 T HN 0.065 nan 8.240 nan 0.000 0.450 106 F N 2.108 122.045 119.950 -0.022 0.000 2.399 106 F HA 0.778 5.305 4.527 0.000 0.000 0.334 106 F C 0.708 176.501 175.800 -0.011 0.000 1.097 106 F CA -1.515 56.475 58.000 -0.017 0.000 1.076 106 F CB 0.972 39.963 39.000 -0.016 0.000 1.162 106 F HN 0.894 nan 8.300 nan 0.000 0.495 107 A N 2.296 125.225 122.820 0.181 0.000 2.309 107 A HA 0.901 5.221 4.320 0.000 0.000 0.317 107 A C -1.032 176.590 177.584 0.062 0.000 1.134 107 A CA -0.569 51.527 52.037 0.099 0.000 0.866 107 A CB 1.664 20.693 19.000 0.049 0.000 1.329 107 A HN 0.779 nan 8.150 nan 0.000 0.477 108 Q N -0.763 119.059 119.800 0.036 0.000 2.617 108 Q HA 0.453 4.793 4.340 0.000 0.000 0.270 108 Q C -1.417 174.512 176.000 -0.118 0.000 0.967 108 Q CA -0.366 55.379 55.803 -0.097 0.000 0.887 108 Q CB 2.244 30.958 28.738 -0.040 0.000 1.516 108 Q HN 0.711 nan 8.270 nan 0.000 0.395 109 S N 0.920 116.422 115.700 -0.329 0.000 2.532 109 S HA 0.881 5.351 4.470 0.000 0.000 0.301 109 S C -1.650 172.782 174.600 -0.281 0.000 1.083 109 S CA -0.299 57.803 58.200 -0.163 0.000 1.025 109 S CB 0.608 63.646 63.200 -0.270 0.000 1.056 109 S HN 0.366 nan 8.310 nan 0.000 0.494 110 F N 2.710 122.872 119.950 0.355 0.000 2.601 110 F HA 0.451 4.978 4.527 0.000 0.000 0.309 110 F C -2.274 173.692 175.800 0.277 0.000 1.089 110 F CA -1.873 56.305 58.000 0.297 0.000 0.940 110 F CB 1.989 41.055 39.000 0.110 0.000 1.273 110 F HN 0.306 nan 8.300 nan 0.000 0.450 111 P HA 0.267 nan 4.420 nan 0.000 0.270 111 P C -1.206 176.033 177.300 -0.102 0.000 1.242 111 P CA 0.071 63.117 63.100 -0.090 0.000 0.768 111 P CB 0.764 32.468 31.700 0.008 0.000 0.820 112 A N 4.223 126.897 122.820 -0.243 0.000 2.285 112 A HA 0.486 4.806 4.320 0.000 0.000 0.310 112 A C -0.302 177.175 177.584 -0.177 0.000 1.266 112 A CA -0.700 51.239 52.037 -0.163 0.000 0.832 112 A CB 0.159 19.082 19.000 -0.128 0.000 1.163 112 A HN 0.441 nan 8.150 nan 0.000 0.499 113 N N 0.973 119.601 118.700 -0.120 0.000 2.479 113 N HA 0.477 5.217 4.740 0.000 0.000 0.285 113 N C -0.009 175.464 175.510 -0.061 0.000 1.075 113 N CA -0.446 52.548 53.050 -0.095 0.000 0.967 113 N CB 1.686 40.132 38.487 -0.067 0.000 1.137 113 N HN 0.488 nan 8.380 nan 0.000 0.472 114 V N -1.100 118.779 119.914 -0.058 0.000 2.743 114 V HA 0.803 4.924 4.120 0.000 0.000 0.301 114 V C 0.442 176.526 176.094 -0.016 0.000 1.057 114 V CA -0.611 61.672 62.300 -0.029 0.000 1.006 114 V CB 1.481 33.270 31.823 -0.057 0.000 1.024 114 V HN 0.607 nan 8.190 nan 0.000 0.473 115 S N 0.969 116.693 115.700 0.041 0.000 2.607 115 S HA 0.617 5.087 4.470 0.000 0.000 0.273 115 S C -1.544 173.072 174.600 0.025 0.000 1.148 115 S CA -0.609 57.639 58.200 0.079 0.000 0.833 115 S CB 1.703 65.051 63.200 0.247 0.000 1.130 115 S HN 0.720 nan 8.310 nan 0.000 0.470 116 Y N 2.944 123.232 120.300 -0.020 0.000 2.367 116 Y HA 0.247 4.797 4.550 0.000 0.000 0.342 116 Y C 0.445 176.096 175.900 -0.415 0.000 0.979 116 Y CA -1.088 56.912 58.100 -0.166 0.000 1.161 116 Y CB 0.762 39.148 38.460 -0.124 0.000 1.155 116 Y HN 0.674 nan 8.280 nan 0.000 0.503 117 N N 3.072 121.415 118.700 -0.594 0.000 2.315 117 N HA -0.128 4.612 4.740 0.000 0.000 0.270 117 N C -0.113 174.934 175.510 -0.773 0.000 1.329 117 N CA 0.341 52.573 53.050 -1.364 0.000 0.860 117 N CB 0.219 37.982 38.487 -1.207 0.000 1.095 117 N HN 0.672 nan 8.380 nan 0.000 0.487 118 E N 0.701 120.390 120.200 -0.852 0.000 2.505 118 E HA -0.116 4.234 4.350 0.000 0.000 0.197 118 E C -0.061 175.950 176.600 -0.983 0.000 1.111 118 E CA 0.566 56.519 56.400 -0.746 0.000 0.887 118 E CB -0.354 28.968 29.700 -0.630 0.000 0.913 118 E HN 0.717 nan 8.360 nan 0.000 0.517 119 Y N -0.566 119.476 120.300 -0.430 0.000 2.607 119 Y HA 0.092 4.642 4.550 0.000 0.000 0.276 119 Y C 1.657 177.550 175.900 -0.012 0.000 1.117 119 Y CA -0.306 57.660 58.100 -0.224 0.000 1.273 119 Y CB 0.561 38.961 38.460 -0.101 0.000 1.282 119 Y HN -0.064 nan 8.280 nan 0.000 0.514 120 Q N 1.649 121.475 119.800 0.044 0.000 2.404 120 Q HA 0.051 4.391 4.340 0.000 0.000 0.272 120 Q C -1.259 174.789 176.000 0.080 0.000 0.939 120 Q CA -0.252 55.582 55.803 0.052 0.000 0.945 120 Q CB -0.844 27.871 28.738 -0.039 0.000 1.195 120 Q HN 0.350 nan 8.270 nan 0.000 0.415 121 Y N -1.918 118.310 120.300 -0.121 0.000 2.387 121 Y HA 0.802 5.352 4.550 -0.000 0.000 0.330 121 Y C -0.891 174.952 175.900 -0.095 0.000 1.133 121 Y CA -3.101 54.916 58.100 -0.138 0.000 1.152 121 Y CB 0.623 38.996 38.460 -0.145 0.000 1.215 121 Y HN -0.000 nan 8.280 nan 0.000 0.466 122 A N 5.335 128.027 122.820 -0.213 0.000 2.311 122 A HA 0.688 5.008 4.320 0.000 0.000 0.306 122 A C -0.929 176.479 177.584 -0.293 0.000 1.189 122 A CA -0.685 51.177 52.037 -0.292 0.000 0.791 122 A CB -0.294 18.603 19.000 -0.172 0.000 1.172 122 A HN 0.869 nan 8.150 nan 0.000 0.481 123 I N 0.633 120.983 120.570 -0.366 0.000 2.437 123 I HA 0.767 4.937 4.170 0.000 0.000 0.298 123 I C -0.662 175.364 176.117 -0.152 0.000 0.984 123 I CA -0.672 60.489 61.300 -0.231 0.000 1.214 123 I CB 1.828 39.691 38.000 -0.229 0.000 1.365 123 I HN 0.173 nan 8.210 nan 0.000 0.469 124 V N 6.440 126.296 119.914 -0.096 0.000 2.417 124 V HA 0.511 4.631 4.120 0.000 0.000 0.291 124 V C -0.161 175.909 176.094 -0.040 0.000 1.024 124 V CA -0.432 61.828 62.300 -0.065 0.000 0.861 124 V CB 1.063 32.856 31.823 -0.051 0.000 0.985 124 V HN 0.934 nan 8.190 nan 0.000 0.436 125 Q N 3.629 123.408 119.800 -0.036 0.000 2.387 125 Q HA 0.872 5.212 4.340 0.000 0.000 0.273 125 Q C -0.666 175.328 176.000 -0.011 0.000 1.089 125 Q CA -1.060 54.730 55.803 -0.022 0.000 0.824 125 Q CB 2.694 31.417 28.738 -0.026 0.000 1.367 125 Q HN 0.693 nan 8.270 nan 0.000 0.443 126 A N 1.923 124.737 122.820 -0.009 0.000 2.478 126 A HA 0.261 4.581 4.320 0.000 0.000 0.327 126 A C 0.629 178.211 177.584 -0.002 0.000 1.431 126 A CA -0.580 51.453 52.037 -0.006 0.000 1.014 126 A CB -0.041 18.944 19.000 -0.024 0.000 1.143 126 A HN 0.859 nan 8.150 nan 0.000 0.532 127 R N 1.084 121.600 120.500 0.026 0.000 2.159 127 R HA -0.062 4.278 4.340 0.000 0.000 0.237 127 R C 0.809 177.151 176.300 0.070 0.000 1.131 127 R CA 1.513 57.647 56.100 0.056 0.000 0.982 127 R CB 0.055 30.408 30.300 0.088 0.000 0.868 127 R HN 0.755 nan 8.270 nan 0.000 0.453 128 A N -0.473 122.355 122.820 0.014 0.000 2.469 128 A HA 0.723 5.043 4.320 0.000 0.000 0.299 128 A C -1.270 176.202 177.584 -0.188 0.000 1.098 128 A CA -0.663 51.314 52.037 -0.100 0.000 0.737 128 A CB 1.599 20.404 19.000 -0.324 0.000 1.312 128 A HN 0.160 nan 8.150 nan 0.000 0.414 129 A N 0.607 123.294 122.820 -0.222 0.000 2.415 129 A HA 0.633 4.953 4.320 0.000 0.000 0.309 129 A C 0.540 177.927 177.584 -0.327 0.000 1.356 129 A CA 0.468 52.359 52.037 -0.244 0.000 0.998 129 A CB -0.716 18.167 19.000 -0.194 0.000 1.145 129 A HN 1.886 nan 8.150 nan 0.000 0.545 130 G N 0.707 109.294 108.800 -0.353 0.000 3.022 130 G HA2 0.705 4.665 3.960 0.000 0.000 0.284 130 G HA3 0.705 4.665 3.960 0.000 0.000 0.284 130 G C -1.092 173.504 174.900 -0.506 0.000 1.375 130 G CA -0.655 44.245 45.100 -0.334 0.000 0.902 130 G HN 0.386 nan 8.290 nan 0.000 0.538 131 F N -0.474 119.434 119.950 -0.070 0.000 2.556 131 F HA 0.685 5.211 4.527 -0.001 0.000 0.327 131 F C 0.421 176.203 175.800 -0.030 0.000 1.059 131 F CA -0.852 57.120 58.000 -0.047 0.000 0.953 131 F CB 2.192 41.163 39.000 -0.048 0.000 1.227 131 F HN 0.406 nan 8.300 nan 0.000 0.478 132 I N 1.195 121.867 120.570 0.170 0.000 2.750 132 I HA 0.653 4.823 4.170 0.000 0.000 0.308 132 I C -1.629 174.540 176.117 0.086 0.000 1.016 132 I CA -0.398 60.960 61.300 0.097 0.000 1.098 132 I CB 1.950 39.987 38.000 0.062 0.000 1.279 132 I HN 0.795 nan 8.210 nan 0.000 0.454 133 D N 3.857 124.298 120.400 0.069 0.000 2.677 133 D HA 0.510 5.150 4.640 0.000 0.000 0.298 133 D C -0.307 176.032 176.300 0.066 0.000 1.250 133 D CA -0.423 53.610 54.000 0.054 0.000 0.888 133 D CB 1.077 41.899 40.800 0.035 0.000 1.397 133 D HN 0.689 nan 8.370 nan 0.000 0.461 134 K N -1.634 118.801 120.400 0.058 0.000 1.882 134 K HA -0.170 4.150 4.320 0.000 0.000 0.199 134 K C 0.444 177.105 176.600 0.102 0.000 1.562 134 K CA 2.459 58.792 56.287 0.077 0.000 0.515 134 K CB -1.521 31.040 32.500 0.101 0.000 0.682 134 K HN 0.995 nan 8.250 nan 0.000 0.843 135 V N -4.189 115.823 119.914 0.164 0.000 1.129 135 V HA -0.015 4.105 4.120 0.000 0.000 0.660 135 V C -0.543 175.766 176.094 0.358 0.000 2.861 135 V CA 0.817 63.251 62.300 0.224 0.000 3.886 135 V CB -1.178 30.737 31.823 0.152 0.000 1.110 135 V HN 0.944 nan 8.190 nan 0.000 1.165 136 Y N -0.067 120.290 120.300 0.095 0.000 2.509 136 Y HA -0.092 4.458 4.550 -0.000 0.000 0.030 136 Y C -2.787 173.170 175.900 0.095 0.000 1.705 136 Y CA 0.536 58.684 58.100 0.079 0.000 1.417 136 Y CB -0.364 38.137 38.460 0.068 0.000 2.063 136 Y HN 0.288 nan 8.280 nan 0.000 0.254 137 P HA 0.407 nan 4.420 nan 0.000 0.258 137 P C -1.310 176.117 177.300 0.212 0.000 1.647 137 P CA 0.003 63.184 63.100 0.135 0.000 1.099 137 P CB 0.318 32.036 31.700 0.029 0.000 1.604 138 L N 2.191 123.570 121.223 0.260 0.000 2.350 138 L HA 0.657 4.997 4.340 0.000 0.000 0.260 138 L C 0.874 177.898 176.870 0.256 0.000 1.015 138 L CA -0.587 54.412 54.840 0.265 0.000 0.821 138 L CB 1.597 43.846 42.059 0.316 0.000 1.370 138 L HN 0.220 nan 8.230 nan 0.000 0.416 139 T N -2.940 111.734 114.554 0.201 0.000 2.841 139 T HA 0.543 4.893 4.350 0.000 0.000 0.276 139 T C 1.058 175.886 174.700 0.214 0.000 1.003 139 T CA -0.607 61.595 62.100 0.171 0.000 0.995 139 T CB 1.505 70.434 68.868 0.100 0.000 1.260 139 T HN 0.123 nan 8.240 nan 0.000 0.581 140 V N 0.151 120.159 119.914 0.157 0.000 2.759 140 V HA 0.214 4.334 4.120 0.000 0.000 0.256 140 V C 1.465 177.621 176.094 0.102 0.000 1.080 140 V CA 1.712 64.104 62.300 0.154 0.000 1.101 140 V CB -0.556 31.326 31.823 0.099 0.000 0.698 140 V HN 1.106 nan 8.190 nan 0.000 0.477 141 G N 0.179 109.026 108.800 0.078 0.000 3.764 141 G HA2 0.553 4.513 3.960 0.000 0.000 0.333 141 G HA3 0.553 4.513 3.960 0.000 0.000 0.333 141 G C -1.379 173.546 174.900 0.040 0.000 1.551 141 G CA -0.369 44.764 45.100 0.054 0.000 0.995 141 G HN 0.290 nan 8.290 nan 0.000 0.485 142 D N 0.265 120.674 120.400 0.015 0.000 2.687 142 D HA 0.529 5.169 4.640 0.000 0.000 0.264 142 D C 0.014 176.304 176.300 -0.016 0.000 1.091 142 D CA -0.599 53.404 54.000 0.005 0.000 1.123 142 D CB 1.316 42.118 40.800 0.003 0.000 1.407 142 D HN 0.149 nan 8.370 nan 0.000 0.591 143 K N -0.031 120.359 120.400 -0.016 0.000 2.123 143 K HA 0.726 5.046 4.320 0.000 0.000 0.248 143 K C -0.744 175.825 176.600 -0.052 0.000 0.969 143 K CA -0.977 55.295 56.287 -0.026 0.000 0.882 143 K CB 1.888 34.384 32.500 -0.007 0.000 1.080 143 K HN 0.311 nan 8.250 nan 0.000 0.441 144 V N -1.225 118.651 119.914 -0.063 0.000 3.040 144 V HA 0.289 4.409 4.120 0.000 0.000 0.312 144 V C 0.458 176.517 176.094 -0.058 0.000 1.115 144 V CA -0.660 61.591 62.300 -0.082 0.000 0.998 144 V CB 1.706 33.458 31.823 -0.119 0.000 1.042 144 V HN 0.999 nan 8.190 nan 0.000 0.433 145 Q N 1.974 121.739 119.800 -0.057 0.000 2.287 145 Q HA 0.304 4.644 4.340 0.000 0.000 0.201 145 Q C 1.445 177.419 176.000 -0.043 0.000 0.946 145 Q CA 0.879 56.659 55.803 -0.039 0.000 0.868 145 Q CB 0.180 28.902 28.738 -0.026 0.000 0.967 145 Q HN 0.823 nan 8.270 nan 0.000 0.516 146 K N -1.498 118.869 120.400 -0.055 0.000 2.608 146 K HA 0.235 4.555 4.320 0.000 0.000 0.209 146 K C 0.372 176.928 176.600 -0.073 0.000 1.369 146 K CA 0.601 56.855 56.287 -0.054 0.000 1.029 146 K CB 1.116 33.591 32.500 -0.041 0.000 1.139 146 K HN 0.425 nan 8.250 nan 0.000 0.623 147 G N 0.996 109.738 108.800 -0.096 0.000 2.850 147 G HA2 -0.406 3.554 3.960 0.000 0.000 0.207 147 G HA3 -0.406 3.554 3.960 0.000 0.000 0.207 147 G C 0.313 175.123 174.900 -0.149 0.000 1.302 147 G CA 0.570 45.594 45.100 -0.126 0.000 0.832 147 G HN 0.909 nan 8.290 nan 0.000 0.543 148 T N -1.250 113.237 114.554 -0.111 0.000 0.543 148 T HA -0.080 4.270 4.350 0.000 0.000 0.774 148 T C -2.719 171.890 174.700 -0.152 0.000 0.992 148 T CA 1.478 63.512 62.100 -0.110 0.000 4.076 148 T CB -2.145 66.659 68.868 -0.105 0.000 2.302 148 T HN 1.290 nan 8.240 nan 0.000 0.398 149 P HA 0.769 nan 4.420 nan 0.000 0.294 149 P C -1.155 175.956 177.300 -0.316 0.000 1.294 149 P CA -0.810 62.204 63.100 -0.143 0.000 0.827 149 P CB 0.908 32.608 31.700 0.000 0.000 0.992 150 L N 3.735 124.852 121.223 -0.177 0.000 2.401 150 L HA 0.489 4.829 4.340 0.000 0.000 0.266 150 L C 0.043 176.934 176.870 0.034 0.000 0.991 150 L CA -1.180 53.568 54.840 -0.152 0.000 0.818 150 L CB 0.854 42.804 42.059 -0.182 0.000 1.321 150 L HN 0.431 nan 8.230 nan 0.000 0.413 151 L N -0.339 120.965 121.223 0.136 0.000 4.689 151 L HA -0.172 4.168 4.340 0.000 0.000 0.584 151 L C -1.208 175.732 176.870 0.116 0.000 0.972 151 L CA 0.656 55.588 54.840 0.153 0.000 0.455 151 L CB -0.396 41.773 42.059 0.184 0.000 0.324 151 L HN 0.610 nan 8.230 nan 0.000 1.173 152 D N 5.112 125.578 120.400 0.109 0.000 2.252 152 D HA 0.695 5.336 4.640 0.000 0.000 0.245 152 D C 0.170 176.523 176.300 0.088 0.000 1.009 152 D CA -0.427 53.634 54.000 0.101 0.000 0.870 152 D CB 2.025 42.876 40.800 0.084 0.000 1.251 152 D HN 0.626 nan 8.370 nan 0.000 0.460 153 L N -0.924 120.359 121.223 0.101 0.000 2.335 153 L HA 0.852 5.192 4.340 0.000 0.000 0.268 153 L C -0.143 176.723 176.870 -0.007 0.000 1.016 153 L CA -0.541 54.344 54.840 0.075 0.000 0.805 153 L CB 0.693 42.815 42.059 0.105 0.000 1.311 153 L HN 0.487 nan 8.230 nan 0.000 0.456 154 T N -0.978 113.574 114.554 -0.003 0.000 2.916 154 T HA 0.824 5.174 4.350 0.000 0.000 0.305 154 T C -0.481 174.214 174.700 -0.007 0.000 1.119 154 T CA -0.520 61.533 62.100 -0.080 0.000 1.008 154 T CB 1.929 70.756 68.868 -0.068 0.000 1.129 154 T HN 0.614 nan 8.240 nan 0.000 0.480 155 I N 2.474 123.008 120.570 -0.061 0.000 2.686 155 I HA 0.407 4.577 4.170 0.000 0.000 0.295 155 I C -2.099 173.995 176.117 -0.038 0.000 1.114 155 I CA -2.647 58.609 61.300 -0.074 0.000 1.038 155 I CB 3.113 40.933 38.000 -0.300 0.000 1.238 155 I HN 0.440 nan 8.210 nan 0.000 0.420 156 P HA 0.097 nan 4.420 nan 0.000 0.226 156 P C 0.492 177.803 177.300 0.018 0.000 1.160 156 P CA 0.594 63.705 63.100 0.018 0.000 0.837 156 P CB 0.370 32.098 31.700 0.046 0.000 0.860 157 D N -1.706 118.652 120.400 -0.072 0.000 2.264 157 D HA -0.105 4.535 4.640 0.000 0.000 0.208 157 D C 1.171 177.575 176.300 0.175 0.000 0.966 157 D CA 0.851 54.841 54.000 -0.017 0.000 0.864 157 D CB -0.352 40.374 40.800 -0.124 0.000 0.933 157 D HN 0.193 nan 8.370 nan 0.000 0.499 158 W N 0.371 121.716 121.300 0.075 0.000 2.640 158 W HA 0.108 4.769 4.660 0.001 0.000 0.271 158 W C 2.243 178.804 176.519 0.069 0.000 1.218 158 W CA 0.262 57.651 57.345 0.075 0.000 1.382 158 W CB -1.079 28.448 29.460 0.111 0.000 1.067 158 W HN -0.100 nan 8.180 nan 0.000 0.590 159 V N -0.204 119.889 119.914 0.297 0.000 2.392 159 V HA -0.257 3.863 4.120 0.000 0.000 0.249 159 V C 2.072 178.254 176.094 0.146 0.000 1.059 159 V CA 2.508 64.921 62.300 0.189 0.000 1.051 159 V CB -0.807 31.090 31.823 0.123 0.000 0.658 159 V HN 0.090 nan 8.190 nan 0.000 0.455 160 E N 1.668 121.948 120.200 0.133 0.000 2.031 160 E HA -0.214 4.136 4.350 0.000 0.000 0.193 160 E C 2.199 178.866 176.600 0.113 0.000 0.994 160 E CA 2.169 58.631 56.400 0.103 0.000 0.800 160 E CB -0.461 29.291 29.700 0.088 0.000 0.752 160 E HN 0.686 nan 8.360 nan 0.000 0.447 161 A N 1.654 124.557 122.820 0.139 0.000 1.873 161 A HA -0.240 4.080 4.320 0.000 0.000 0.215 161 A C 2.233 179.890 177.584 0.123 0.000 1.186 161 A CA 2.158 54.270 52.037 0.124 0.000 0.616 161 A CB -0.808 18.273 19.000 0.135 0.000 0.823 161 A HN 0.529 nan 8.150 nan 0.000 0.442 162 Q N 0.268 120.147 119.800 0.132 0.000 2.226 162 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 162 Q C 1.978 178.104 176.000 0.210 0.000 0.975 162 Q CA 1.966 57.849 55.803 0.132 0.000 0.866 162 Q CB -0.658 28.130 28.738 0.084 0.000 0.915 162 Q HN 0.677 nan 8.270 nan 0.000 0.440 163 S N 1.278 117.071 115.700 0.156 0.000 2.355 163 S HA -0.285 4.185 4.470 0.000 0.000 0.222 163 S C 2.008 176.673 174.600 0.108 0.000 1.031 163 S CA 1.095 59.371 58.200 0.127 0.000 0.993 163 S CB -0.348 62.905 63.200 0.088 0.000 0.859 163 S HN 0.628 nan 8.310 nan 0.000 0.453 164 E N 0.365 120.626 120.200 0.103 0.000 2.114 164 E HA -0.312 4.038 4.350 0.000 0.000 0.199 164 E C 1.946 178.598 176.600 0.086 0.000 1.008 164 E CA 1.678 58.125 56.400 0.078 0.000 0.810 164 E CB -0.731 29.016 29.700 0.079 0.000 0.739 164 E HN 0.811 nan 8.360 nan 0.000 0.456 165 Y N 0.999 121.309 120.300 0.017 0.000 2.097 165 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 165 Y C 2.046 177.952 175.900 0.010 0.000 1.152 165 Y CA 2.036 60.142 58.100 0.010 0.000 1.136 165 Y CB -0.405 38.058 38.460 0.005 0.000 0.975 165 Y HN 0.073 nan 8.280 nan 0.000 0.498 166 L N 0.005 121.194 121.223 -0.056 0.000 2.013 166 L HA -0.253 4.087 4.340 0.000 0.000 0.212 166 L C 2.491 179.241 176.870 -0.200 0.000 1.073 166 L CA 1.840 56.570 54.840 -0.183 0.000 0.753 166 L CB -0.746 41.337 42.059 0.041 0.000 0.890 166 L HN 0.530 nan 8.230 nan 0.000 0.432 167 L N -2.839 118.323 121.223 -0.103 0.000 2.313 167 L HA -0.097 4.243 4.340 0.000 0.000 0.214 167 L C 2.066 178.873 176.870 -0.106 0.000 1.119 167 L CA 1.388 56.178 54.840 -0.082 0.000 0.809 167 L CB -0.950 41.088 42.059 -0.035 0.000 0.933 167 L HN 0.058 nan 8.230 nan 0.000 0.449 168 L N 0.208 121.347 121.223 -0.139 0.000 2.291 168 L HA -0.033 4.307 4.340 0.000 0.000 0.214 168 L C 2.670 179.438 176.870 -0.171 0.000 1.120 168 L CA 1.428 56.194 54.840 -0.122 0.000 0.799 168 L CB -0.800 41.207 42.059 -0.086 0.000 0.925 168 L HN 0.544 nan 8.230 nan 0.000 0.446 169 R N -0.892 119.435 120.500 -0.288 0.000 2.161 169 R HA -0.059 4.281 4.340 0.000 0.000 0.213 169 R C 1.947 178.159 176.300 -0.147 0.000 1.055 169 R CA 0.499 56.443 56.100 -0.259 0.000 0.996 169 R CB 0.336 30.392 30.300 -0.406 0.000 0.901 169 R HN 0.300 nan 8.270 nan 0.000 0.456 170 E N 0.298 120.423 120.200 -0.126 0.000 2.021 170 E HA -0.081 4.269 4.350 0.000 0.000 0.189 170 E C 1.041 177.607 176.600 -0.058 0.000 0.980 170 E CA 1.394 57.748 56.400 -0.076 0.000 0.803 170 E CB -0.321 29.342 29.700 -0.062 0.000 0.766 170 E HN 0.349 nan 8.360 nan 0.000 0.449 171 T N -1.300 113.220 114.554 -0.056 0.000 2.732 171 T HA 0.345 4.695 4.350 0.000 0.000 0.287 171 T C 0.750 175.427 174.700 -0.039 0.000 0.993 171 T CA -0.233 61.843 62.100 -0.039 0.000 0.966 171 T CB 1.198 70.047 68.868 -0.032 0.000 1.047 171 T HN 0.054 nan 8.240 nan 0.000 0.527 172 G N -0.652 108.132 108.800 -0.027 0.000 2.299 172 G HA2 0.480 4.440 3.960 0.000 0.000 0.256 172 G HA3 0.480 4.440 3.960 0.000 0.000 0.256 172 G C 0.187 175.073 174.900 -0.023 0.000 1.259 172 G CA -0.328 44.758 45.100 -0.023 0.000 0.943 172 G HN 1.148 nan 8.290 nan 0.000 0.479 173 G N 1.588 110.374 108.800 -0.024 0.000 2.608 173 G HA2 0.464 4.424 3.960 0.000 0.000 0.285 173 G HA3 0.464 4.424 3.960 0.000 0.000 0.285 173 G C -0.132 174.763 174.900 -0.008 0.000 1.407 173 G CA -0.517 44.573 45.100 -0.017 0.000 1.276 173 G HN 0.631 nan 8.290 nan 0.000 0.587 174 T N 1.750 116.303 114.554 -0.000 0.000 2.908 174 T HA 0.275 4.625 4.350 0.000 0.000 0.325 174 T C 2.070 176.776 174.700 0.011 0.000 1.092 174 T CA 0.791 62.894 62.100 0.004 0.000 1.125 174 T CB 1.017 69.888 68.868 0.006 0.000 1.016 174 T HN 1.012 nan 8.240 nan 0.000 0.550 175 A N 2.696 125.523 122.820 0.013 0.000 1.903 175 A HA -0.195 4.125 4.320 0.000 0.000 0.219 175 A C 2.551 180.152 177.584 0.028 0.000 1.191 175 A CA 2.639 54.689 52.037 0.022 0.000 0.638 175 A CB -1.618 17.392 19.000 0.017 0.000 0.823 175 A HN 1.016 nan 8.150 nan 0.000 0.451 176 T N -1.907 112.659 114.554 0.020 0.000 2.803 176 T HA -0.245 4.105 4.350 0.000 0.000 0.269 176 T C 1.783 176.499 174.700 0.027 0.000 1.052 176 T CA 1.618 63.730 62.100 0.019 0.000 1.136 176 T CB -0.507 68.368 68.868 0.012 0.000 0.864 176 T HN 0.636 nan 8.240 nan 0.000 0.467 177 Q N 0.865 120.683 119.800 0.031 0.000 2.020 177 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 177 Q C 2.661 178.704 176.000 0.072 0.000 0.982 177 Q CA 1.991 57.818 55.803 0.040 0.000 0.838 177 Q CB -1.354 27.401 28.738 0.029 0.000 0.899 177 Q HN 0.659 nan 8.270 nan 0.000 0.423 178 T N 0.633 115.247 114.554 0.099 0.000 2.833 178 T HA -0.194 4.156 4.350 0.000 0.000 0.269 178 T C 1.788 176.579 174.700 0.151 0.000 1.054 178 T CA 1.711 63.938 62.100 0.212 0.000 1.135 178 T CB 0.000 69.015 68.868 0.245 0.000 0.869 178 T HN 0.228 nan 8.240 nan 0.000 0.466 179 E N 0.637 120.881 120.200 0.073 0.000 2.047 179 E HA 0.064 4.414 4.350 0.000 0.000 0.191 179 E C 2.338 178.936 176.600 -0.002 0.000 0.987 179 E CA 1.766 58.178 56.400 0.020 0.000 0.799 179 E CB -1.235 28.472 29.700 0.012 0.000 0.752 179 E HN 0.547 nan 8.360 nan 0.000 0.449 180 G N 1.250 110.058 108.800 0.013 0.000 2.529 180 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 180 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 180 G C 1.768 176.664 174.900 -0.007 0.000 1.177 180 G CA 1.259 46.361 45.100 0.004 0.000 0.773 180 G HN 0.345 nan 8.290 nan 0.000 0.573 181 I N -0.135 120.445 120.570 0.016 0.000 2.142 181 I HA -0.123 4.047 4.170 0.000 0.000 0.240 181 I C 2.638 178.695 176.117 -0.100 0.000 1.078 181 I CA 0.613 61.912 61.300 -0.002 0.000 1.343 181 I CB -0.315 37.737 38.000 0.087 0.000 1.046 181 I HN 0.079 nan 8.210 nan 0.000 0.405 182 L N 0.772 121.896 121.223 -0.165 0.000 2.189 182 L HA -0.238 4.102 4.340 0.000 0.000 0.214 182 L C 2.373 179.138 176.870 -0.175 0.000 1.097 182 L CA 1.685 56.375 54.840 -0.250 0.000 0.764 182 L CB -0.774 41.134 42.059 -0.253 0.000 0.900 182 L HN 0.245 nan 8.230 nan 0.000 0.436 183 E N -0.313 119.820 120.200 -0.112 0.000 2.076 183 E HA -0.111 4.239 4.350 0.000 0.000 0.190 183 E C 2.299 178.843 176.600 -0.095 0.000 0.979 183 E CA 1.112 57.456 56.400 -0.093 0.000 0.807 183 E CB -0.019 29.647 29.700 -0.057 0.000 0.761 183 E HN 0.314 nan 8.360 nan 0.000 0.454 184 R N -0.270 120.183 120.500 -0.078 0.000 2.189 184 R HA 0.046 4.386 4.340 0.000 0.000 0.218 184 R C 2.224 178.462 176.300 -0.104 0.000 1.074 184 R CA 0.808 56.871 56.100 -0.062 0.000 0.991 184 R CB -0.084 30.200 30.300 -0.026 0.000 0.883 184 R HN 0.255 nan 8.270 nan 0.000 0.457 185 L N -0.554 120.562 121.223 -0.177 0.000 2.127 185 L HA -0.008 4.332 4.340 0.000 0.000 0.203 185 L C 2.656 179.285 176.870 -0.402 0.000 1.080 185 L CA 0.796 55.444 54.840 -0.321 0.000 0.768 185 L CB -0.335 41.514 42.059 -0.350 0.000 0.924 185 L HN 0.083 nan 8.230 nan 0.000 0.444 186 R N 0.477 120.800 120.500 -0.295 0.000 2.081 186 R HA -0.192 4.148 4.340 0.000 0.000 0.235 186 R C 2.319 178.502 176.300 -0.196 0.000 1.131 186 R CA 1.385 57.326 56.100 -0.265 0.000 0.960 186 R CB -0.190 29.993 30.300 -0.195 0.000 0.856 186 R HN 0.181 nan 8.270 nan 0.000 0.436 187 L N 0.661 121.801 121.223 -0.139 0.000 2.056 187 L HA -0.009 4.331 4.340 0.000 0.000 0.207 187 L C 2.119 178.960 176.870 -0.049 0.000 1.078 187 L CA 2.129 56.922 54.840 -0.079 0.000 0.749 187 L CB -0.689 41.339 42.059 -0.052 0.000 0.901 187 L HN 0.183 nan 8.230 nan 0.000 0.433 188 A N -1.294 121.492 122.820 -0.057 0.000 2.125 188 A HA 0.276 4.596 4.320 0.000 0.000 0.219 188 A C 1.907 179.589 177.584 0.164 0.000 1.156 188 A CA 1.306 53.386 52.037 0.072 0.000 0.671 188 A CB -0.754 18.331 19.000 0.141 0.000 0.794 188 A HN 0.841 nan 8.150 nan 0.000 0.459 189 G N -2.679 106.096 108.800 -0.041 0.000 2.738 189 G HA2 -0.111 3.849 3.960 0.000 0.000 0.195 189 G HA3 -0.111 3.849 3.960 0.000 0.000 0.195 189 G C 0.277 175.052 174.900 -0.209 0.000 1.001 189 G CA -0.006 45.121 45.100 0.045 0.000 0.759 189 G HN 0.341 nan 8.290 nan 0.000 0.494 190 M N 3.628 122.754 119.600 -0.791 0.000 2.284 190 M HA 0.275 4.755 4.480 0.000 0.000 0.351 190 M C -1.571 174.446 176.300 -0.471 0.000 1.443 190 M CA -0.936 53.817 55.300 -0.911 0.000 1.031 190 M CB 0.392 32.337 32.600 -1.092 0.000 1.893 190 M HN 0.052 nan 8.290 nan 0.000 0.456 191 P HA -0.075 nan 4.420 nan 0.000 0.266 191 P C -0.288 176.876 177.300 -0.226 0.000 1.193 191 P CA 0.241 63.175 63.100 -0.277 0.000 0.770 191 P CB 0.500 32.023 31.700 -0.294 0.000 0.836 192 E N 2.674 122.778 120.200 -0.159 0.000 2.110 192 E HA -0.140 4.210 4.350 0.000 0.000 0.193 192 E C 2.067 178.607 176.600 -0.099 0.000 0.988 192 E CA 1.872 58.196 56.400 -0.127 0.000 0.804 192 E CB -0.938 28.704 29.700 -0.096 0.000 0.745 192 E HN 0.522 nan 8.360 nan 0.000 0.458 193 A N 0.538 123.308 122.820 -0.083 0.000 2.070 193 A HA -0.162 4.158 4.320 0.000 0.000 0.220 193 A C 1.508 179.076 177.584 -0.025 0.000 1.159 193 A CA 1.799 53.809 52.037 -0.046 0.000 0.656 193 A CB -0.293 18.688 19.000 -0.031 0.000 0.800 193 A HN 0.165 nan 8.150 nan 0.000 0.453 194 D N -0.488 119.886 120.400 -0.042 0.000 2.262 194 D HA 0.060 4.700 4.640 0.000 0.000 0.212 194 D C 1.895 178.190 176.300 -0.007 0.000 0.964 194 D CA 0.415 54.428 54.000 0.022 0.000 0.875 194 D CB -0.226 40.618 40.800 0.073 0.000 0.996 194 D HN 0.439 nan 8.370 nan 0.000 0.497 195 I N 1.053 121.573 120.570 -0.084 0.000 2.099 195 I HA -0.277 3.893 4.170 0.000 0.000 0.239 195 I C 2.313 178.386 176.117 -0.074 0.000 1.066 195 I CA 1.220 62.451 61.300 -0.115 0.000 1.324 195 I CB -0.075 37.817 38.000 -0.181 0.000 1.037 195 I HN -0.109 nan 8.210 nan 0.000 0.401 196 R N 0.008 120.472 120.500 -0.060 0.000 2.159 196 R HA -0.156 4.184 4.340 0.000 0.000 0.237 196 R C 1.967 178.264 176.300 -0.005 0.000 1.131 196 R CA 0.937 57.018 56.100 -0.032 0.000 0.982 196 R CB -0.294 29.988 30.300 -0.029 0.000 0.868 196 R HN 0.262 nan 8.270 nan 0.000 0.453 197 R N 0.863 121.365 120.500 0.004 0.000 2.480 197 R HA 0.111 4.451 4.340 0.000 0.000 0.277 197 R C 1.210 177.536 176.300 0.043 0.000 1.008 197 R CA -0.015 56.101 56.100 0.026 0.000 1.090 197 R CB 0.222 30.541 30.300 0.033 0.000 1.234 197 R HN 0.266 nan 8.270 nan 0.000 0.549 198 L N -1.308 119.936 121.223 0.035 0.000 2.500 198 L HA 0.271 4.611 4.340 0.000 0.000 0.219 198 L C 1.606 178.534 176.870 0.098 0.000 1.057 198 L CA 0.420 55.298 54.840 0.064 0.000 0.854 198 L CB 0.105 42.193 42.059 0.049 0.000 1.078 198 L HN 0.143 nan 8.230 nan 0.000 0.480 199 I N 0.253 120.867 120.570 0.073 0.000 2.676 199 I HA -0.108 4.062 4.170 0.000 0.000 0.259 199 I C 2.156 178.323 176.117 0.085 0.000 1.194 199 I CA 1.118 62.490 61.300 0.120 0.000 1.473 199 I CB 0.188 38.234 38.000 0.077 0.000 1.096 199 I HN 0.431 nan 8.210 nan 0.000 0.443 200 A N -0.660 122.193 122.820 0.057 0.000 2.035 200 A HA -0.039 4.281 4.320 0.000 0.000 0.208 200 A C 2.155 179.763 177.584 0.040 0.000 1.206 200 A CA 1.048 53.110 52.037 0.041 0.000 0.773 200 A CB -0.459 18.558 19.000 0.028 0.000 0.878 200 A HN 0.424 nan 8.150 nan 0.000 0.469 201 T N -4.944 109.638 114.554 0.046 0.000 3.015 201 T HA 0.117 4.467 4.350 0.000 0.000 0.250 201 T C 1.117 175.846 174.700 0.048 0.000 1.057 201 T CA 1.060 63.185 62.100 0.042 0.000 1.066 201 T CB 0.163 69.056 68.868 0.042 0.000 0.959 201 T HN 0.445 nan 8.240 nan 0.000 0.488 202 Q N 0.016 119.857 119.800 0.069 0.000 2.217 202 Q HA -0.211 4.129 4.340 0.000 0.000 0.170 202 Q C -0.720 175.325 176.000 0.075 0.000 0.597 202 Q CA 1.306 57.157 55.803 0.080 0.000 1.426 202 Q CB -1.232 27.535 28.738 0.047 0.000 1.504 202 Q HN 0.614 nan 8.270 nan 0.000 0.860 203 K N 1.626 122.063 120.400 0.061 0.000 2.292 203 K HA 0.287 4.607 4.320 0.000 0.000 0.290 203 K C 0.411 177.050 176.600 0.066 0.000 1.083 203 K CA -0.199 56.120 56.287 0.053 0.000 0.918 203 K CB 0.341 32.864 32.500 0.038 0.000 1.089 203 K HN 0.215 nan 8.250 nan 0.000 0.473 204 I N 2.947 123.562 120.570 0.074 0.000 3.227 204 I HA -0.289 3.881 4.170 0.000 0.000 0.332 204 I C 0.570 176.730 176.117 0.072 0.000 1.174 204 I CA 1.157 62.508 61.300 0.085 0.000 1.478 204 I CB 0.272 38.318 38.000 0.077 0.000 1.281 204 I HN 0.465 nan 8.210 nan 0.000 0.542 205 Q N 4.859 124.718 119.800 0.098 0.000 2.342 205 Q HA 0.454 4.794 4.340 0.000 0.000 0.267 205 Q C 0.269 176.270 176.000 0.001 0.000 1.038 205 Q CA -0.318 55.540 55.803 0.092 0.000 0.832 205 Q CB 2.261 31.131 28.738 0.220 0.000 1.323 205 Q HN 0.844 nan 8.270 nan 0.000 0.448 206 T N -1.750 112.648 114.554 -0.261 0.000 3.719 206 T HA 0.049 4.399 4.350 0.000 0.000 0.285 206 T C 0.312 174.463 174.700 -0.914 0.000 0.963 206 T CA -0.403 61.398 62.100 -0.498 0.000 1.154 206 T CB -0.090 68.652 68.868 -0.210 0.000 1.123 206 T HN 0.492 nan 8.240 nan 0.000 0.448 207 R N 2.389 122.594 120.500 -0.492 0.000 2.343 207 R HA 0.528 4.868 4.340 0.000 0.000 0.326 207 R C -1.327 174.801 176.300 -0.286 0.000 1.055 207 R CA -0.313 55.590 56.100 -0.328 0.000 0.961 207 R CB -1.217 29.012 30.300 -0.119 0.000 0.978 207 R HN 0.418 nan 8.270 nan 0.000 0.443 208 F N 2.002 121.998 119.950 0.078 0.000 2.458 208 F HA 0.386 4.912 4.527 -0.000 0.000 0.336 208 F C 0.158 175.993 175.800 0.059 0.000 1.114 208 F CA -1.158 56.887 58.000 0.076 0.000 0.987 208 F CB 2.497 41.559 39.000 0.104 0.000 1.130 208 F HN 0.404 nan 8.300 nan 0.000 0.458 209 T N 4.832 119.530 114.554 0.241 0.000 2.758 209 T HA 0.447 4.797 4.350 0.000 0.000 0.285 209 T C -0.562 174.202 174.700 0.107 0.000 0.981 209 T CA -0.694 61.491 62.100 0.143 0.000 0.965 209 T CB 0.663 69.592 68.868 0.102 0.000 0.927 209 T HN 0.312 nan 8.240 nan 0.000 0.448 210 L N 1.968 123.237 121.223 0.078 0.000 2.259 210 L HA 0.546 4.886 4.340 0.000 0.000 0.288 210 L C 0.088 176.949 176.870 -0.014 0.000 1.051 210 L CA -0.765 54.093 54.840 0.030 0.000 0.824 210 L CB -0.394 41.681 42.059 0.027 0.000 1.206 210 L HN 0.318 nan 8.230 nan 0.000 0.429 211 K N 2.897 123.282 120.400 -0.025 0.000 2.349 211 K HA 0.592 4.912 4.320 0.000 0.000 0.289 211 K C 0.462 177.017 176.600 -0.074 0.000 1.064 211 K CA -0.146 56.109 56.287 -0.055 0.000 0.947 211 K CB 0.855 33.331 32.500 -0.039 0.000 1.007 211 K HN 0.835 nan 8.250 nan 0.000 0.478 212 A N 5.379 128.135 122.820 -0.106 0.000 2.483 212 A HA 0.211 4.531 4.320 0.000 0.000 0.238 212 A C -2.151 175.372 177.584 -0.101 0.000 1.070 212 A CA -0.981 50.986 52.037 -0.116 0.000 0.770 212 A CB -0.253 18.651 19.000 -0.160 0.000 1.008 212 A HN 0.427 nan 8.150 nan 0.000 0.497 213 P HA 0.439 nan 4.420 nan 0.000 0.281 213 P C 0.607 177.855 177.300 -0.086 0.000 1.249 213 P CA 0.065 63.112 63.100 -0.087 0.000 0.810 213 P CB 0.386 32.030 31.700 -0.094 0.000 1.008 214 I N -2.697 117.832 120.570 -0.069 0.000 7.332 214 I HA -0.350 3.820 4.170 0.000 0.000 0.126 214 I C -0.718 175.361 176.117 -0.064 0.000 1.526 214 I CA 0.579 61.843 61.300 -0.060 0.000 2.393 214 I CB -1.108 36.857 38.000 -0.059 0.000 3.049 214 I HN 0.225 nan 8.210 nan 0.000 0.265 215 D N 0.951 121.318 120.400 -0.054 0.000 2.360 215 D HA 0.720 5.360 4.640 0.000 0.000 0.289 215 D C 0.646 176.905 176.300 -0.068 0.000 1.183 215 D CA 0.820 54.787 54.000 -0.055 0.000 1.082 215 D CB -0.143 40.636 40.800 -0.036 0.000 1.146 215 D HN 1.319 nan 8.370 nan 0.000 0.545 216 G N -2.100 106.664 108.800 -0.060 0.000 2.373 216 G HA2 0.127 4.087 3.960 0.000 0.000 0.634 216 G HA3 0.127 4.087 3.960 0.000 0.000 0.634 216 G C -1.607 173.245 174.900 -0.080 0.000 1.267 216 G CA -0.539 44.516 45.100 -0.075 0.000 1.008 216 G HN 0.476 nan 8.290 nan 0.000 0.497 217 V N 0.498 120.345 119.914 -0.112 0.000 2.487 217 V HA 0.518 4.639 4.120 0.000 0.000 0.298 217 V C 0.388 176.406 176.094 -0.127 0.000 1.028 217 V CA -0.681 61.561 62.300 -0.096 0.000 0.860 217 V CB 1.435 33.224 31.823 -0.056 0.000 0.991 217 V HN 0.729 nan 8.190 nan 0.000 0.427 218 I N 4.507 125.016 120.570 -0.102 0.000 2.742 218 I HA 0.157 4.327 4.170 0.000 0.000 0.287 218 I C 0.800 176.882 176.117 -0.057 0.000 1.186 218 I CA 1.324 62.562 61.300 -0.103 0.000 1.417 218 I CB 0.592 38.523 38.000 -0.114 0.000 1.377 218 I HN 0.710 nan 8.210 nan 0.000 0.556 219 T N 4.861 119.380 114.554 -0.058 0.000 2.924 219 T HA 0.792 5.142 4.350 0.000 0.000 0.291 219 T C 0.189 174.911 174.700 0.037 0.000 1.045 219 T CA 0.241 62.328 62.100 -0.020 0.000 1.015 219 T CB 1.060 69.885 68.868 -0.072 0.000 1.103 219 T HN 1.173 nan 8.240 nan 0.000 0.496 220 A N 2.092 124.947 122.820 0.059 0.000 5.938 220 A HA 0.202 4.522 4.320 0.000 0.000 0.284 220 A C 0.489 178.189 177.584 0.194 0.000 1.994 220 A CA 1.120 53.211 52.037 0.089 0.000 0.717 220 A CB -2.085 16.957 19.000 0.071 0.000 1.191 220 A HN 2.531 nan 8.150 nan 0.000 0.377 221 F N -1.925 118.016 119.950 -0.014 0.000 2.183 221 F HA 0.011 4.538 4.527 0.001 0.000 0.318 221 F C 0.920 176.719 175.800 -0.002 0.000 0.757 221 F CA 2.435 60.428 58.000 -0.011 0.000 0.912 221 F CB -0.811 38.180 39.000 -0.015 0.000 4.135 221 F HN 2.343 nan 8.300 nan 0.000 0.137 222 D N -0.696 119.151 120.400 -0.922 0.000 1.817 222 D HA -0.216 4.424 4.640 0.000 0.000 0.232 222 D C -0.375 175.582 176.300 -0.571 0.000 1.089 222 D CA 0.993 54.655 54.000 -0.564 0.000 1.366 222 D CB -1.303 39.393 40.800 -0.173 0.000 1.434 222 D HN 0.694 nan 8.370 nan 0.000 0.699 223 L N 3.034 123.959 121.223 -0.497 0.000 2.640 223 L HA 0.119 4.459 4.340 0.000 0.000 0.280 223 L C 1.301 177.960 176.870 -0.353 0.000 1.229 223 L CA 0.894 55.543 54.840 -0.318 0.000 0.919 223 L CB -0.146 41.786 42.059 -0.211 0.000 1.168 223 L HN 0.328 nan 8.230 nan 0.000 0.496 224 R N 3.833 124.216 120.500 -0.196 0.000 2.929 224 R HA 0.863 5.203 4.340 0.000 0.000 0.259 224 R C 0.130 176.401 176.300 -0.048 0.000 1.141 224 R CA 0.190 56.215 56.100 -0.125 0.000 0.991 224 R CB 0.929 31.161 30.300 -0.114 0.000 1.287 224 R HN 0.652 nan 8.270 nan 0.000 0.450 225 A N -0.396 122.417 122.820 -0.013 0.000 4.932 225 A HA -0.085 4.236 4.320 0.000 0.000 0.293 225 A C 0.462 178.060 177.584 0.024 0.000 2.096 225 A CA 0.955 52.995 52.037 0.005 0.000 0.715 225 A CB -2.304 16.694 19.000 -0.003 0.000 1.211 225 A HN 1.787 nan 8.150 nan 0.000 0.345 226 G N -1.758 107.061 108.800 0.030 0.000 2.738 226 G HA2 0.679 4.639 3.960 0.000 0.000 0.281 226 G HA3 0.679 4.639 3.960 0.000 0.000 0.281 226 G C -0.717 174.234 174.900 0.085 0.000 1.527 226 G CA 0.279 45.419 45.100 0.067 0.000 1.132 226 G HN 0.774 nan 8.290 nan 0.000 0.569 227 M N 1.060 120.702 119.600 0.071 0.000 2.662 227 M HA 0.391 4.871 4.480 0.000 0.000 0.310 227 M C -0.356 175.934 176.300 -0.016 0.000 1.204 227 M CA -1.003 54.318 55.300 0.036 0.000 0.891 227 M CB 2.534 35.124 32.600 -0.018 0.000 1.732 227 M HN 0.376 nan 8.290 nan 0.000 0.467 228 N N 1.423 120.078 118.700 -0.076 0.000 2.420 228 N HA 0.475 5.215 4.740 0.000 0.000 0.249 228 N C -1.824 173.515 175.510 -0.286 0.000 1.033 228 N CA -0.204 52.649 53.050 -0.327 0.000 0.944 228 N CB 0.431 38.805 38.487 -0.188 0.000 1.113 228 N HN 0.383 nan 8.380 nan 0.000 0.502 229 I N 2.346 122.693 120.570 -0.371 0.000 2.441 229 I HA 0.651 4.821 4.170 0.000 0.000 0.295 229 I C -0.078 175.885 176.117 -0.256 0.000 0.994 229 I CA -1.152 60.005 61.300 -0.238 0.000 1.144 229 I CB 1.405 39.302 38.000 -0.173 0.000 1.314 229 I HN 0.510 nan 8.210 nan 0.000 0.445 230 A N 3.997 126.715 122.820 -0.169 0.000 2.475 230 A HA 0.807 5.127 4.320 0.000 0.000 0.301 230 A C 0.054 177.587 177.584 -0.086 0.000 1.059 230 A CA -0.750 51.204 52.037 -0.138 0.000 0.710 230 A CB 1.128 20.055 19.000 -0.123 0.000 1.288 230 A HN 0.525 nan 8.150 nan 0.000 0.408 231 K N 0.791 121.150 120.400 -0.068 0.000 3.096 231 K HA -0.158 4.162 4.320 0.000 0.000 0.266 231 K C -0.037 176.549 176.600 -0.023 0.000 1.043 231 K CA 1.610 57.877 56.287 -0.034 0.000 0.758 231 K CB -1.554 30.930 32.500 -0.026 0.000 1.260 231 K HN 0.899 nan 8.250 nan 0.000 0.481 232 D N -2.624 117.762 120.400 -0.023 0.000 2.802 232 D HA -0.162 4.478 4.640 0.000 0.000 0.191 232 D C -0.326 175.963 176.300 -0.018 0.000 0.962 232 D CA 0.837 54.828 54.000 -0.014 0.000 1.004 232 D CB -1.019 39.777 40.800 -0.007 0.000 1.055 232 D HN 0.484 nan 8.370 nan 0.000 0.451 233 N N 0.755 119.440 118.700 -0.026 0.000 2.293 233 N HA 0.070 4.810 4.740 0.000 0.000 0.253 233 N C 0.075 175.576 175.510 -0.016 0.000 1.248 233 N CA 0.255 53.291 53.050 -0.023 0.000 0.845 233 N CB 0.746 39.213 38.487 -0.033 0.000 1.073 233 N HN 0.180 nan 8.380 nan 0.000 0.464 234 V N 3.294 123.203 119.914 -0.008 0.000 2.614 234 V HA 0.223 4.343 4.120 0.000 0.000 0.291 234 V C 0.172 176.273 176.094 0.012 0.000 1.049 234 V CA -0.254 62.045 62.300 -0.002 0.000 1.038 234 V CB 1.326 33.149 31.823 0.001 0.000 0.980 234 V HN 0.364 nan 8.190 nan 0.000 0.481 235 V N 7.042 126.975 119.914 0.031 0.000 2.405 235 V HA 0.865 4.985 4.120 0.000 0.000 0.253 235 V C -0.126 176.055 176.094 0.145 0.000 0.963 235 V CA 0.634 62.976 62.300 0.070 0.000 1.003 235 V CB -0.342 31.524 31.823 0.072 0.000 1.251 235 V HN 2.509 nan 8.190 nan 0.000 0.520 236 A N 3.015 125.908 122.820 0.121 0.000 2.482 236 A HA 0.432 4.752 4.320 0.000 0.000 0.643 236 A C -0.909 176.690 177.584 0.025 0.000 0.332 236 A CA 0.054 52.172 52.037 0.134 0.000 0.221 236 A CB -0.187 18.901 19.000 0.146 0.000 3.653 236 A HN 0.985 nan 8.150 nan 0.000 0.529 237 K N -0.536 119.859 120.400 -0.008 0.000 2.533 237 K HA 0.866 5.186 4.320 0.000 0.000 0.284 237 K C -1.734 174.810 176.600 -0.094 0.000 1.025 237 K CA -0.795 55.460 56.287 -0.053 0.000 0.900 237 K CB 1.503 33.999 32.500 -0.007 0.000 1.519 237 K HN 0.955 nan 8.250 nan 0.000 0.432 238 I N 2.380 122.881 120.570 -0.114 0.000 2.607 238 I HA 0.235 4.406 4.170 0.000 0.000 0.290 238 I C -0.942 175.079 176.117 -0.161 0.000 1.129 238 I CA -0.969 60.246 61.300 -0.141 0.000 1.042 238 I CB 2.142 40.058 38.000 -0.141 0.000 1.242 238 I HN 0.463 nan 8.210 nan 0.000 0.421 239 Q N 3.691 123.333 119.800 -0.265 0.000 2.282 239 Q HA 0.492 4.832 4.340 0.000 0.000 0.260 239 Q C -0.003 175.788 176.000 -0.348 0.000 0.964 239 Q CA -0.463 55.081 55.803 -0.432 0.000 0.880 239 Q CB 2.614 30.777 28.738 -0.958 0.000 1.286 239 Q HN 0.859 nan 8.270 nan 0.000 0.445 240 G N 1.297 109.958 108.800 -0.232 0.000 2.425 240 G HA2 0.505 4.465 3.960 0.000 0.000 0.302 240 G HA3 0.505 4.465 3.960 0.000 0.000 0.302 240 G C 0.207 175.118 174.900 0.018 0.000 1.159 240 G CA -0.393 44.653 45.100 -0.090 0.000 0.865 240 G HN 0.605 nan 8.290 nan 0.000 0.515 241 M N 0.803 120.442 119.600 0.066 0.000 2.511 241 M HA 0.173 4.653 4.480 0.000 0.000 0.387 241 M C 0.860 177.199 176.300 0.064 0.000 1.112 241 M CA -0.230 55.146 55.300 0.127 0.000 0.921 241 M CB 1.146 33.840 32.600 0.157 0.000 1.501 241 M HN 0.569 nan 8.290 nan 0.000 0.538 242 D N 2.287 122.710 120.400 0.039 0.000 2.137 242 D HA 0.066 4.706 4.640 0.000 0.000 0.202 242 D C -1.911 174.415 176.300 0.043 0.000 0.970 242 D CA 0.916 54.936 54.000 0.034 0.000 0.837 242 D CB -0.261 40.553 40.800 0.023 0.000 0.981 242 D HN 0.168 nan 8.370 nan 0.000 0.475 243 P HA 0.304 nan 4.420 nan 0.000 0.299 243 P C -1.165 176.155 177.300 0.033 0.000 1.323 243 P CA -0.608 62.526 63.100 0.056 0.000 0.896 243 P CB 2.458 34.190 31.700 0.053 0.000 1.081 244 V N 1.376 121.346 119.914 0.094 0.000 3.001 244 V HA 0.533 4.653 4.120 0.000 0.000 0.314 244 V C -1.097 175.190 176.094 0.323 0.000 1.099 244 V CA -0.500 61.854 62.300 0.091 0.000 0.989 244 V CB 2.413 34.269 31.823 0.054 0.000 1.040 244 V HN 0.485 nan 8.190 nan 0.000 0.434 245 W N 2.308 123.615 121.300 0.012 0.000 2.471 245 W HA 0.729 5.389 4.660 -0.000 0.000 0.318 245 W C -0.353 176.148 176.519 -0.031 0.000 1.034 245 W CA -1.029 56.319 57.345 0.006 0.000 1.224 245 W CB 1.626 31.101 29.460 0.026 0.000 1.335 245 W HN 0.541 nan 8.180 nan 0.000 0.452 246 V N 1.693 121.683 119.914 0.127 0.000 2.667 246 V HA 0.952 5.072 4.120 0.000 0.000 0.308 246 V C -0.272 175.771 176.094 -0.085 0.000 1.048 246 V CA -0.723 61.579 62.300 0.004 0.000 0.928 246 V CB 1.579 33.386 31.823 -0.026 0.000 1.004 246 V HN 0.514 nan 8.190 nan 0.000 0.444 247 T N 1.993 116.492 114.554 -0.092 0.000 2.881 247 T HA 0.863 5.213 4.350 0.000 0.000 0.291 247 T C -0.322 174.303 174.700 -0.125 0.000 0.990 247 T CA 0.043 62.063 62.100 -0.134 0.000 0.976 247 T CB 1.149 69.946 68.868 -0.118 0.000 0.970 247 T HN 1.791 nan 8.240 nan 0.000 0.438 248 A N 2.679 125.400 122.820 -0.165 0.000 2.306 248 A HA 0.937 5.257 4.320 0.000 0.000 0.330 248 A C 0.432 177.916 177.584 -0.166 0.000 1.146 248 A CA -0.842 51.099 52.037 -0.160 0.000 0.827 248 A CB 0.757 19.615 19.000 -0.237 0.000 1.178 248 A HN 1.516 nan 8.150 nan 0.000 0.490 249 A N 1.680 124.430 122.820 -0.117 0.000 2.328 249 A HA 0.612 4.932 4.320 0.000 0.000 0.284 249 A C -0.309 177.144 177.584 -0.218 0.000 1.160 249 A CA -0.191 51.788 52.037 -0.097 0.000 0.818 249 A CB -0.031 18.973 19.000 0.006 0.000 1.087 249 A HN 0.623 nan 8.150 nan 0.000 0.504 250 I N 3.725 124.181 120.570 -0.189 0.000 2.569 250 I HA 0.433 4.603 4.170 0.000 0.000 0.296 250 I C -2.396 173.669 176.117 -0.087 0.000 1.028 250 I CA -2.373 58.788 61.300 -0.231 0.000 1.082 250 I CB 2.099 39.959 38.000 -0.234 0.000 1.264 250 I HN 0.408 nan 8.210 nan 0.000 0.429 251 P HA 0.245 nan 4.420 nan 0.000 0.279 251 P C 0.288 177.581 177.300 -0.013 0.000 1.239 251 P CA -0.283 62.819 63.100 0.004 0.000 0.789 251 P CB 0.718 32.440 31.700 0.038 0.000 0.933 252 E N 1.230 121.443 120.200 0.022 0.000 2.077 252 E HA -0.174 4.176 4.350 0.000 0.000 0.193 252 E C 1.581 178.222 176.600 0.069 0.000 0.989 252 E CA 1.649 58.082 56.400 0.055 0.000 0.800 252 E CB -0.876 28.878 29.700 0.088 0.000 0.746 252 E HN 0.487 nan 8.360 nan 0.000 0.452 253 S N 1.633 117.356 115.700 0.037 0.000 2.368 253 S HA -0.173 4.297 4.470 0.000 0.000 0.225 253 S C 2.182 176.433 174.600 -0.582 0.000 1.030 253 S CA 0.933 59.076 58.200 -0.096 0.000 0.999 253 S CB -0.605 62.589 63.200 -0.010 0.000 0.844 253 S HN 0.322 nan 8.310 nan 0.000 0.459 254 I N 1.930 122.313 120.570 -0.311 0.000 2.226 254 I HA -0.151 4.019 4.170 0.000 0.000 0.245 254 I C 2.669 178.602 176.117 -0.307 0.000 1.100 254 I CA 1.212 62.321 61.300 -0.319 0.000 1.374 254 I CB -0.526 37.399 38.000 -0.125 0.000 1.057 254 I HN 0.382 nan 8.210 nan 0.000 0.413 255 A N 1.717 124.432 122.820 -0.174 0.000 1.902 255 A HA -0.252 4.068 4.320 0.000 0.000 0.217 255 A C 2.252 179.849 177.584 0.021 0.000 1.181 255 A CA 1.644 53.635 52.037 -0.077 0.000 0.623 255 A CB -1.295 17.694 19.000 -0.018 0.000 0.818 255 A HN 0.834 nan 8.150 nan 0.000 0.443 256 W N -0.123 121.188 121.300 0.018 0.000 2.363 256 W HA -0.129 4.531 4.660 -0.000 0.000 0.296 256 W C 1.234 177.766 176.519 0.021 0.000 1.212 256 W CA 0.684 58.047 57.345 0.030 0.000 1.260 256 W CB -0.642 28.836 29.460 0.029 0.000 1.131 256 W HN 0.153 nan 8.180 nan 0.000 0.530 257 L N 2.088 122.985 121.223 -0.544 0.000 2.079 257 L HA -0.097 4.243 4.340 0.000 0.000 0.210 257 L C 1.235 178.074 176.870 -0.052 0.000 1.081 257 L CA 1.227 55.766 54.840 -0.501 0.000 0.752 257 L CB -1.602 39.934 42.059 -0.870 0.000 0.896 257 L HN -0.199 nan 8.230 nan 0.000 0.433 258 V N 1.095 120.931 119.914 -0.130 0.000 2.509 258 V HA -0.093 4.027 4.120 0.000 0.000 0.297 258 V C 0.734 176.718 176.094 -0.184 0.000 1.014 258 V CA 0.496 62.654 62.300 -0.236 0.000 1.127 258 V CB -0.262 31.403 31.823 -0.262 0.000 0.925 258 V HN 0.373 nan 8.190 nan 0.000 0.480 259 K N 2.035 122.313 120.400 -0.204 0.000 2.609 259 K HA 0.289 4.609 4.320 0.000 0.000 0.195 259 K C -0.395 176.307 176.600 0.169 0.000 1.144 259 K CA -0.182 56.170 56.287 0.109 0.000 1.084 259 K CB 0.684 33.284 32.500 0.167 0.000 0.877 259 K HN 0.864 nan 8.250 nan 0.000 0.540 260 D N -0.873 119.385 120.400 -0.237 0.000 2.706 260 D HA 0.218 4.858 4.640 0.000 0.000 0.225 260 D C -0.323 175.644 176.300 -0.554 0.000 1.241 260 D CA -0.339 53.601 54.000 -0.100 0.000 0.784 260 D CB 1.815 42.564 40.800 -0.084 0.000 1.521 260 D HN -0.060 nan 8.370 nan 0.000 0.461 261 A N 1.697 124.433 122.820 -0.140 0.000 2.119 261 A HA -0.029 4.291 4.320 0.000 0.000 0.217 261 A C 1.888 179.306 177.584 -0.276 0.000 1.153 261 A CA 1.745 53.659 52.037 -0.206 0.000 0.692 261 A CB -0.386 18.795 19.000 0.301 0.000 0.799 261 A HN 0.587 nan 8.150 nan 0.000 0.458 262 S N 0.527 116.090 115.700 -0.229 0.000 2.428 262 S HA -0.220 4.250 4.470 0.000 0.000 0.230 262 S C 1.909 176.394 174.600 -0.192 0.000 1.014 262 S CA 0.952 59.067 58.200 -0.141 0.000 0.957 262 S CB -0.577 62.571 63.200 -0.087 0.000 0.784 262 S HN 0.816 nan 8.310 nan 0.000 0.499 263 Q N 0.370 119.946 119.800 -0.373 0.000 2.291 263 Q HA 0.079 4.419 4.340 0.000 0.000 0.205 263 Q C 0.164 176.075 176.000 -0.149 0.000 0.970 263 Q CA 0.305 55.927 55.803 -0.301 0.000 0.876 263 Q CB -0.652 27.857 28.738 -0.381 0.000 0.935 263 Q HN 0.633 nan 8.270 nan 0.000 0.455 264 F N 1.765 121.655 119.950 -0.099 0.000 2.450 264 F HA 0.256 4.783 4.527 0.000 0.000 0.339 264 F C 0.208 176.004 175.800 -0.006 0.000 1.146 264 F CA -0.394 57.571 58.000 -0.059 0.000 1.267 264 F CB 1.114 40.070 39.000 -0.074 0.000 1.178 264 F HN -0.189 nan 8.300 nan 0.000 0.585 265 T N 4.000 118.694 114.554 0.233 0.000 3.348 265 T HA 0.195 4.545 4.350 0.000 0.000 0.328 265 T C -0.790 173.994 174.700 0.139 0.000 0.913 265 T CA -0.578 61.612 62.100 0.149 0.000 1.043 265 T CB 0.553 69.486 68.868 0.107 0.000 1.021 265 T HN 0.172 nan 8.240 nan 0.000 0.461 266 L N 2.990 124.287 121.223 0.123 0.000 2.349 266 L HA 0.664 5.005 4.340 0.000 0.000 0.275 266 L C 0.737 177.673 176.870 0.109 0.000 1.115 266 L CA 0.325 55.230 54.840 0.109 0.000 0.820 266 L CB 1.271 43.380 42.059 0.083 0.000 1.135 266 L HN 0.670 nan 8.230 nan 0.000 0.445 267 T N 3.163 117.797 114.554 0.134 0.000 2.900 267 T HA 0.711 5.061 4.350 0.000 0.000 0.295 267 T C -1.183 173.601 174.700 0.140 0.000 1.044 267 T CA -0.430 61.751 62.100 0.135 0.000 0.995 267 T CB 1.460 70.419 68.868 0.153 0.000 1.072 267 T HN 0.214 nan 8.240 nan 0.000 0.473 268 V N 7.467 127.445 119.914 0.106 0.000 2.524 268 V HA 0.396 4.516 4.120 0.000 0.000 0.297 268 V C -1.489 174.654 176.094 0.081 0.000 1.035 268 V CA -1.609 60.739 62.300 0.079 0.000 0.867 268 V CB 1.804 33.650 31.823 0.039 0.000 1.004 268 V HN 0.748 nan 8.190 nan 0.000 0.426 269 P HA -0.253 nan 4.420 nan 0.000 0.213 269 P C 1.585 178.916 177.300 0.052 0.000 1.176 269 P CA 2.425 65.579 63.100 0.089 0.000 0.919 269 P CB 0.226 31.985 31.700 0.098 0.000 0.791 270 A N 0.982 123.821 122.820 0.032 0.000 1.877 270 A HA -0.211 4.109 4.320 0.000 0.000 0.218 270 A C 1.791 179.389 177.584 0.023 0.000 1.301 270 A CA 1.704 53.753 52.037 0.020 0.000 0.699 270 A CB -1.278 17.725 19.000 0.005 0.000 0.844 270 A HN 0.109 nan 8.150 nan 0.000 0.464 271 R N 0.327 120.841 120.500 0.023 0.000 2.522 271 R HA 0.218 4.558 4.340 0.000 0.000 0.290 271 R C -1.902 174.418 176.300 0.033 0.000 1.216 271 R CA -1.571 54.544 56.100 0.025 0.000 1.250 271 R CB 0.698 31.010 30.300 0.021 0.000 1.143 271 R HN 0.500 nan 8.270 nan 0.000 0.553 272 P HA -0.157 nan 4.420 nan 0.000 0.202 272 P C 0.187 177.506 177.300 0.032 0.000 1.189 272 P CA 0.514 63.636 63.100 0.037 0.000 0.921 272 P CB 0.249 31.969 31.700 0.033 0.000 0.756 273 D N -0.333 120.083 120.400 0.027 0.000 3.775 273 D HA -0.212 4.428 4.640 0.000 0.000 0.164 273 D C 0.483 176.799 176.300 0.027 0.000 0.847 273 D CA 1.552 55.566 54.000 0.024 0.000 0.866 273 D CB -1.062 39.752 40.800 0.022 0.000 0.421 273 D HN 0.169 nan 8.370 nan 0.000 0.356 274 K N 0.464 120.880 120.400 0.027 0.000 2.237 274 K HA 0.321 4.641 4.320 0.000 0.000 0.270 274 K C 0.437 177.057 176.600 0.034 0.000 1.015 274 K CA 0.071 56.376 56.287 0.029 0.000 0.949 274 K CB 0.793 33.310 32.500 0.027 0.000 0.976 274 K HN 0.492 nan 8.250 nan 0.000 0.472 275 T N -0.526 114.050 114.554 0.037 0.000 2.681 275 T HA 0.229 4.579 4.350 0.000 0.000 0.333 275 T C 0.350 175.078 174.700 0.047 0.000 1.049 275 T CA -0.460 61.667 62.100 0.044 0.000 1.002 275 T CB 0.087 68.982 68.868 0.046 0.000 1.161 275 T HN 0.436 nan 8.240 nan 0.000 0.519 276 L N 0.534 121.790 121.223 0.055 0.000 2.481 276 L HA 0.364 4.704 4.340 0.000 0.000 0.255 276 L C 0.537 177.449 176.870 0.070 0.000 1.192 276 L CA -1.194 53.681 54.840 0.059 0.000 0.924 276 L CB 0.379 42.472 42.059 0.058 0.000 1.179 276 L HN 0.903 nan 8.230 nan 0.000 0.491 277 T N -0.777 113.817 114.554 0.068 0.000 2.898 277 T HA 0.251 4.601 4.350 0.000 0.000 0.331 277 T C 0.136 174.894 174.700 0.097 0.000 1.085 277 T CA 0.237 62.384 62.100 0.078 0.000 1.129 277 T CB 0.981 69.890 68.868 0.067 0.000 1.054 277 T HN 0.344 nan 8.240 nan 0.000 0.540 278 I N 2.107 122.749 120.570 0.119 0.000 2.433 278 I HA 0.424 4.594 4.170 0.000 0.000 0.292 278 I C 1.062 177.269 176.117 0.150 0.000 1.001 278 I CA -1.043 60.347 61.300 0.150 0.000 1.119 278 I CB 2.007 40.129 38.000 0.204 0.000 1.289 278 I HN 0.550 nan 8.210 nan 0.000 0.438 279 R N 3.598 124.183 120.500 0.142 0.000 2.175 279 R HA 0.247 4.587 4.340 0.000 0.000 0.202 279 R C -0.213 176.158 176.300 0.119 0.000 1.018 279 R CA 0.957 57.128 56.100 0.118 0.000 1.029 279 R CB 0.157 30.515 30.300 0.098 0.000 0.959 279 R HN 0.536 nan 8.270 nan 0.000 0.480 280 K N -0.160 120.328 120.400 0.145 0.000 2.542 280 K HA 0.269 4.589 4.320 0.000 0.000 0.259 280 K C -1.906 174.803 176.600 0.181 0.000 0.932 280 K CA -0.753 55.593 56.287 0.099 0.000 0.820 280 K CB 0.840 33.354 32.500 0.024 0.000 1.345 280 K HN 0.110 nan 8.250 nan 0.000 0.432 281 W N 1.632 122.981 121.300 0.082 0.000 2.864 281 W HA 0.809 5.469 4.660 -0.000 0.000 0.343 281 W C -1.347 175.189 176.519 0.028 0.000 1.109 281 W CA -0.947 56.439 57.345 0.068 0.000 1.192 281 W CB 1.577 31.228 29.460 0.318 0.000 1.426 281 W HN 0.698 nan 8.180 nan 0.000 0.529 282 T N 1.619 116.339 114.554 0.278 0.000 3.343 282 T HA 0.378 4.728 4.350 0.000 0.000 0.383 282 T C -2.257 172.512 174.700 0.115 0.000 1.615 282 T CA -0.533 61.614 62.100 0.077 0.000 1.153 282 T CB 0.904 69.703 68.868 -0.116 0.000 1.434 282 T HN 0.365 nan 8.240 nan 0.000 0.476 283 L N 4.280 125.594 121.223 0.151 0.000 2.307 283 L HA 0.604 4.944 4.340 0.000 0.000 0.282 283 L C -0.267 176.622 176.870 0.032 0.000 1.051 283 L CA -0.766 54.132 54.840 0.097 0.000 0.804 283 L CB 1.489 43.644 42.059 0.160 0.000 1.197 283 L HN 0.558 nan 8.230 nan 0.000 0.431 284 L N 5.793 127.016 121.223 0.000 0.000 2.288 284 L HA 0.294 4.634 4.340 0.000 0.000 0.283 284 L C -1.372 175.503 176.870 0.008 0.000 1.072 284 L CA -1.525 53.311 54.840 -0.007 0.000 0.862 284 L CB 0.355 42.396 42.059 -0.030 0.000 1.245 284 L HN 0.412 nan 8.230 nan 0.000 0.432 285 P HA -0.192 nan 4.420 nan 0.000 0.220 285 P C 1.043 178.355 177.300 0.020 0.000 1.144 285 P CA 0.886 64.002 63.100 0.027 0.000 0.808 285 P CB 0.227 31.942 31.700 0.025 0.000 0.763 286 G N 0.650 109.457 108.800 0.011 0.000 2.209 286 G HA2 0.174 4.134 3.960 0.000 0.000 0.271 286 G HA3 0.174 4.134 3.960 0.000 0.000 0.271 286 G C 0.157 175.062 174.900 0.009 0.000 1.111 286 G CA -0.262 44.843 45.100 0.008 0.000 1.092 286 G HN 0.214 nan 8.290 nan 0.000 0.416 287 V N 1.900 121.822 119.914 0.014 0.000 2.356 287 V HA 0.236 4.356 4.120 0.000 0.000 0.258 287 V C 0.361 176.462 176.094 0.012 0.000 1.065 287 V CA -1.525 60.784 62.300 0.016 0.000 0.935 287 V CB 0.588 32.425 31.823 0.023 0.000 1.061 287 V HN 0.601 nan 8.190 nan 0.000 0.484 288 D N 4.530 124.935 120.400 0.008 0.000 2.533 288 D HA 0.303 4.943 4.640 0.000 0.000 0.236 288 D C 1.072 177.378 176.300 0.011 0.000 1.137 288 D CA 0.925 54.929 54.000 0.007 0.000 0.867 288 D CB 1.634 42.436 40.800 0.004 0.000 1.170 288 D HN 0.750 nan 8.370 nan 0.000 0.474 289 A N 3.738 126.565 122.820 0.011 0.000 1.984 289 A HA 0.263 4.583 4.320 0.000 0.000 0.214 289 A C 1.947 179.539 177.584 0.013 0.000 1.173 289 A CA 1.134 53.179 52.037 0.013 0.000 0.673 289 A CB -0.542 18.465 19.000 0.011 0.000 0.830 289 A HN 0.645 nan 8.150 nan 0.000 0.453 290 A N -0.232 122.595 122.820 0.012 0.000 1.822 290 A HA 0.150 4.470 4.320 0.000 0.000 0.214 290 A C 1.396 178.989 177.584 0.016 0.000 1.245 290 A CA 1.541 53.586 52.037 0.013 0.000 0.608 290 A CB -1.364 17.642 19.000 0.012 0.000 0.896 290 A HN 0.345 nan 8.150 nan 0.000 0.457 291 T N 0.483 115.048 114.554 0.018 0.000 2.919 291 T HA 0.312 4.662 4.350 0.000 0.000 0.302 291 T C 0.499 175.212 174.700 0.021 0.000 1.031 291 T CA -0.123 61.991 62.100 0.023 0.000 1.127 291 T CB 0.721 69.605 68.868 0.026 0.000 0.952 291 T HN 0.293 nan 8.240 nan 0.000 0.540 292 R N 2.207 122.723 120.500 0.026 0.000 4.860 292 R HA 0.156 4.496 4.340 0.000 0.000 0.191 292 R C 0.188 176.501 176.300 0.022 0.000 1.936 292 R CA 0.050 56.166 56.100 0.026 0.000 1.609 292 R CB -1.015 29.304 30.300 0.031 0.000 1.392 292 R HN 0.554 nan 8.270 nan 0.000 0.844 293 T N 0.810 115.373 114.554 0.014 0.000 2.797 293 T HA 0.456 4.806 4.350 0.000 0.000 0.279 293 T C -0.416 174.278 174.700 -0.011 0.000 0.991 293 T CA -0.628 61.471 62.100 -0.001 0.000 0.979 293 T CB 0.499 69.367 68.868 0.001 0.000 0.943 293 T HN 0.209 nan 8.240 nan 0.000 0.444 294 L N 3.902 125.111 121.223 -0.024 0.000 2.357 294 L HA 0.461 4.801 4.340 0.000 0.000 0.273 294 L C 0.540 177.379 176.870 -0.052 0.000 1.080 294 L CA -1.084 53.742 54.840 -0.023 0.000 0.803 294 L CB 1.324 43.379 42.059 -0.007 0.000 1.174 294 L HN 0.434 nan 8.230 nan 0.000 0.443 295 Q N 3.181 122.952 119.800 -0.048 0.000 2.296 295 Q HA 0.311 4.651 4.340 0.000 0.000 0.262 295 Q C -0.752 175.195 176.000 -0.088 0.000 0.981 295 Q CA 0.072 55.829 55.803 -0.076 0.000 0.905 295 Q CB 1.534 30.229 28.738 -0.071 0.000 1.186 295 Q HN 0.424 nan 8.270 nan 0.000 0.399 296 L N 4.307 125.451 121.223 -0.131 0.000 2.316 296 L HA 0.457 4.797 4.340 0.000 0.000 0.280 296 L C -0.777 175.981 176.870 -0.187 0.000 1.006 296 L CA -0.564 54.197 54.840 -0.132 0.000 0.836 296 L CB 0.834 42.785 42.059 -0.180 0.000 1.221 296 L HN 0.460 nan 8.230 nan 0.000 0.418 297 R N 5.425 125.813 120.500 -0.186 0.000 2.349 297 R HA 0.616 4.956 4.340 0.000 0.000 0.299 297 R C -1.063 175.096 176.300 -0.235 0.000 1.027 297 R CA -0.489 55.424 56.100 -0.311 0.000 0.958 297 R CB 1.373 31.355 30.300 -0.529 0.000 1.047 297 R HN 0.570 nan 8.270 nan 0.000 0.468 298 L N 2.544 123.626 121.223 -0.235 0.000 2.346 298 L HA 0.397 4.737 4.340 0.000 0.000 0.276 298 L C -0.103 176.770 176.870 0.006 0.000 1.006 298 L CA -0.640 54.151 54.840 -0.082 0.000 0.817 298 L CB 2.093 44.105 42.059 -0.077 0.000 1.272 298 L HN 0.607 nan 8.230 nan 0.000 0.421 299 E N 1.660 121.939 120.200 0.133 0.000 2.231 299 E HA 0.503 4.853 4.350 0.000 0.000 0.277 299 E C -1.127 175.603 176.600 0.217 0.000 0.999 299 E CA -0.537 56.047 56.400 0.306 0.000 0.827 299 E CB 2.750 32.639 29.700 0.315 0.000 1.101 299 E HN 0.179 nan 8.360 nan 0.000 0.393 300 V N 2.786 122.829 119.914 0.214 0.000 2.588 300 V HA 0.093 4.213 4.120 0.000 0.000 0.304 300 V C -0.984 175.176 176.094 0.110 0.000 1.042 300 V CA -0.865 61.520 62.300 0.141 0.000 0.877 300 V CB 2.037 33.931 31.823 0.119 0.000 0.996 300 V HN 0.648 nan 8.190 nan 0.000 0.425 301 D N 3.981 124.436 120.400 0.091 0.000 2.398 301 D HA 0.109 4.749 4.640 0.000 0.000 0.250 301 D C 0.041 176.376 176.300 0.059 0.000 1.287 301 D CA 0.454 54.496 54.000 0.071 0.000 0.992 301 D CB -0.053 40.786 40.800 0.064 0.000 1.071 301 D HN 0.473 nan 8.370 nan 0.000 0.514 302 N N 1.555 120.288 118.700 0.055 0.000 2.501 302 N HA 0.366 5.106 4.740 0.000 0.000 0.245 302 N C -0.110 175.423 175.510 0.039 0.000 0.974 302 N CA -0.635 52.442 53.050 0.045 0.000 0.941 302 N CB 1.394 39.907 38.487 0.044 0.000 1.122 302 N HN 0.136 nan 8.380 nan 0.000 0.507 303 A N 3.094 125.934 122.820 0.033 0.000 1.944 303 A HA 0.045 4.365 4.320 0.000 0.000 0.209 303 A C 0.907 178.506 177.584 0.026 0.000 1.328 303 A CA 0.796 52.850 52.037 0.028 0.000 0.693 303 A CB -0.483 18.532 19.000 0.025 0.000 0.994 303 A HN 0.742 nan 8.150 nan 0.000 0.485 304 D N -0.861 119.554 120.400 0.024 0.000 2.519 304 D HA 0.237 4.877 4.640 0.000 0.000 0.238 304 D C 0.450 176.764 176.300 0.022 0.000 1.192 304 D CA 0.528 54.541 54.000 0.022 0.000 0.835 304 D CB 0.099 40.911 40.800 0.020 0.000 0.975 304 D HN 0.395 nan 8.370 nan 0.000 0.490 305 E N -0.532 119.684 120.200 0.026 0.000 3.073 305 E HA -0.417 3.934 4.350 0.000 0.000 0.365 305 E C 1.398 178.008 176.600 0.017 0.000 1.400 305 E CA 1.524 57.940 56.400 0.027 0.000 1.267 305 E CB -1.909 27.806 29.700 0.026 0.000 1.638 305 E HN 0.705 nan 8.360 nan 0.000 0.500 306 A N -0.375 122.452 122.820 0.011 0.000 1.282 306 A HA -0.289 4.031 4.320 0.000 0.000 0.220 306 A C 0.486 178.063 177.584 -0.012 0.000 0.471 306 A CA 2.420 54.460 52.037 0.005 0.000 1.097 306 A CB -1.791 17.215 19.000 0.011 0.000 1.470 306 A HN 1.098 nan 8.150 nan 0.000 0.723 307 L N 0.872 122.080 121.223 -0.025 0.000 2.309 307 L HA 0.895 5.235 4.340 0.000 0.000 0.282 307 L C -0.005 176.793 176.870 -0.119 0.000 1.036 307 L CA -0.417 54.388 54.840 -0.059 0.000 0.806 307 L CB 1.250 43.278 42.059 -0.052 0.000 1.220 307 L HN 0.518 nan 8.230 nan 0.000 0.429 308 K N 3.779 124.099 120.400 -0.132 0.000 2.415 308 K HA 0.700 5.020 4.320 0.000 0.000 0.275 308 K C -2.480 173.962 176.600 -0.263 0.000 1.019 308 K CA -1.422 54.753 56.287 -0.187 0.000 1.173 308 K CB -0.072 32.373 32.500 -0.091 0.000 1.602 308 K HN 0.515 nan 8.250 nan 0.000 0.717 309 P HA 0.223 nan 4.420 nan 0.000 0.290 309 P C -0.427 176.815 177.300 -0.097 0.000 1.276 309 P CA -0.295 62.702 63.100 -0.172 0.000 0.808 309 P CB 1.133 32.776 31.700 -0.094 0.000 0.966 310 G N 2.016 110.764 108.800 -0.086 0.000 2.198 310 G HA2 -0.297 3.663 3.960 0.000 0.000 0.260 310 G HA3 -0.297 3.663 3.960 0.000 0.000 0.260 310 G C 0.384 175.241 174.900 -0.072 0.000 1.025 310 G CA -0.024 45.036 45.100 -0.067 0.000 0.769 310 G HN 0.391 nan 8.290 nan 0.000 0.507 311 M N -0.049 119.502 119.600 -0.082 0.000 1.664 311 M HA 0.218 4.698 4.480 0.000 0.000 0.122 311 M C 0.928 177.164 176.300 -0.106 0.000 1.115 311 M CA 0.692 55.944 55.300 -0.079 0.000 0.619 311 M CB -0.024 32.532 32.600 -0.073 0.000 0.866 311 M HN 0.521 nan 8.290 nan 0.000 0.335 312 N N 0.081 118.710 118.700 -0.118 0.000 2.430 312 N HA 0.673 5.413 4.740 0.000 0.000 0.290 312 N C -1.925 173.449 175.510 -0.226 0.000 1.063 312 N CA -0.706 52.227 53.050 -0.196 0.000 0.883 312 N CB 1.684 40.073 38.487 -0.164 0.000 1.465 312 N HN 0.653 nan 8.380 nan 0.000 0.493 313 A N 1.218 123.827 122.820 -0.353 0.000 2.549 313 A HA 0.738 5.058 4.320 0.000 0.000 0.297 313 A C -1.954 175.381 177.584 -0.416 0.000 1.061 313 A CA -0.941 50.932 52.037 -0.274 0.000 0.690 313 A CB 1.151 20.085 19.000 -0.110 0.000 1.287 313 A HN 0.579 nan 8.150 nan 0.000 0.402 314 W N 0.525 121.839 121.300 0.024 0.000 2.627 314 W HA 0.619 5.280 4.660 0.000 0.000 0.339 314 W C -0.379 176.169 176.519 0.048 0.000 1.058 314 W CA -0.529 56.838 57.345 0.036 0.000 1.223 314 W CB 2.062 31.536 29.460 0.022 0.000 1.389 314 W HN 0.514 nan 8.180 nan 0.000 0.541 315 L N 3.826 125.268 121.223 0.366 0.000 2.457 315 L HA 0.310 4.650 4.340 0.000 0.000 0.252 315 L C -0.061 176.985 176.870 0.294 0.000 1.132 315 L CA -0.721 54.262 54.840 0.239 0.000 0.938 315 L CB 0.392 42.520 42.059 0.114 0.000 1.246 315 L HN 0.504 nan 8.230 nan 0.000 0.476 316 Q N 3.217 123.153 119.800 0.228 0.000 2.297 316 Q HA 0.490 4.830 4.340 0.000 0.000 0.267 316 Q C -0.902 175.225 176.000 0.211 0.000 1.006 316 Q CA -0.224 55.694 55.803 0.191 0.000 0.896 316 Q CB 1.151 29.950 28.738 0.101 0.000 1.186 316 Q HN 0.669 nan 8.270 nan 0.000 0.392 317 L N 1.091 122.461 121.223 0.245 0.000 2.319 317 L HA 0.693 5.033 4.340 0.000 0.000 0.267 317 L C -1.316 175.625 176.870 0.118 0.000 1.011 317 L CA -0.931 54.035 54.840 0.210 0.000 0.818 317 L CB 1.886 44.102 42.059 0.261 0.000 1.316 317 L HN 0.561 nan 8.230 nan 0.000 0.432 318 N N 0.999 119.719 118.700 0.033 0.000 2.518 318 N HA 0.445 5.185 4.740 0.000 0.000 0.254 318 N C -0.586 174.881 175.510 -0.072 0.000 0.979 318 N CA -0.384 52.658 53.050 -0.014 0.000 0.930 318 N CB 1.571 40.029 38.487 -0.048 0.000 1.152 318 N HN 0.869 nan 8.380 nan 0.000 0.505 319 T N 0.352 114.875 114.554 -0.051 0.000 2.793 319 T HA 0.801 5.151 4.350 0.000 0.000 0.299 319 T C 0.596 175.134 174.700 -0.270 0.000 1.038 319 T CA -0.438 61.590 62.100 -0.120 0.000 0.948 319 T CB 1.086 69.949 68.868 -0.009 0.000 1.231 319 T HN 0.533 nan 8.240 nan 0.000 0.538 320 A N 0.273 122.910 122.820 -0.306 0.000 2.733 320 A HA 0.875 5.195 4.320 0.000 0.000 0.299 320 A C -1.003 176.375 177.584 -0.342 0.000 1.252 320 A CA -0.572 51.221 52.037 -0.406 0.000 0.677 320 A CB 0.908 19.763 19.000 -0.241 0.000 1.361 320 A HN 1.219 nan 8.150 nan 0.000 0.528 321 S N -0.415 115.138 115.700 -0.245 0.000 2.537 321 S HA 0.532 5.002 4.470 0.000 0.000 0.270 321 S C -0.782 173.773 174.600 -0.075 0.000 1.142 321 S CA -0.193 57.940 58.200 -0.112 0.000 0.870 321 S CB 0.954 64.095 63.200 -0.099 0.000 1.112 321 S HN 1.363 nan 8.310 nan 0.000 0.466 322 E N 1.134 121.317 120.200 -0.029 0.000 2.534 322 E HA 0.213 4.563 4.350 0.000 0.000 0.264 322 E C -2.506 174.049 176.600 -0.075 0.000 0.981 322 E CA -0.904 55.474 56.400 -0.037 0.000 0.948 322 E CB -0.730 28.956 29.700 -0.022 0.000 0.934 322 E HN 0.331 nan 8.360 nan 0.000 0.459 323 P HA 0.046 nan 4.420 nan 0.000 0.271 323 P C -0.835 176.411 177.300 -0.090 0.000 1.216 323 P CA 0.327 63.383 63.100 -0.074 0.000 0.776 323 P CB 0.609 32.276 31.700 -0.053 0.000 0.881 324 M N 1.210 120.756 119.600 -0.091 0.000 2.658 324 M HA 0.362 4.842 4.480 0.000 0.000 0.295 324 M C -0.511 175.755 176.300 -0.057 0.000 1.248 324 M CA -1.030 54.212 55.300 -0.095 0.000 0.843 324 M CB 1.577 34.093 32.600 -0.140 0.000 1.749 324 M HN 0.035 nan 8.290 nan 0.000 0.464 325 L N 3.226 124.424 121.223 -0.042 0.000 2.530 325 L HA 0.228 4.568 4.340 0.000 0.000 0.273 325 L C -1.017 175.845 176.870 -0.014 0.000 1.141 325 L CA 0.143 54.969 54.840 -0.023 0.000 0.905 325 L CB -0.780 41.272 42.059 -0.013 0.000 1.202 325 L HN 0.410 nan 8.230 nan 0.000 0.473 326 L N 6.074 127.288 121.223 -0.015 0.000 2.329 326 L HA 0.687 5.027 4.340 0.000 0.000 0.279 326 L C -0.085 176.782 176.870 -0.005 0.000 1.014 326 L CA -0.673 54.162 54.840 -0.008 0.000 0.814 326 L CB 1.762 43.812 42.059 -0.015 0.000 1.257 326 L HN 0.591 nan 8.230 nan 0.000 0.424 327 I N 0.035 120.605 120.570 0.001 0.000 2.934 327 I HA 0.658 4.828 4.170 0.000 0.000 0.306 327 I C -2.667 173.449 176.117 -0.001 0.000 1.110 327 I CA -2.787 58.511 61.300 -0.003 0.000 1.019 327 I CB 2.299 40.297 38.000 -0.003 0.000 1.227 327 I HN 0.256 nan 8.210 nan 0.000 0.434 328 P HA 0.121 nan 4.420 nan 0.000 0.264 328 P C 0.245 177.543 177.300 -0.004 0.000 1.183 328 P CA 0.164 63.261 63.100 -0.006 0.000 0.763 328 P CB 0.860 32.553 31.700 -0.012 0.000 0.807 329 S N 2.010 117.710 115.700 0.001 0.000 2.382 329 S HA -0.200 4.270 4.470 0.000 0.000 0.228 329 S C 1.615 176.213 174.600 -0.004 0.000 1.027 329 S CA 1.302 59.503 58.200 0.003 0.000 0.991 329 S CB -0.406 62.798 63.200 0.006 0.000 0.823 329 S HN 0.590 nan 8.310 nan 0.000 0.469 330 Q N 1.293 121.088 119.800 -0.007 0.000 2.050 330 Q HA 0.015 4.355 4.340 0.000 0.000 0.202 330 Q C 2.381 178.371 176.000 -0.017 0.000 0.980 330 Q CA 1.347 57.144 55.803 -0.011 0.000 0.840 330 Q CB -0.456 28.274 28.738 -0.012 0.000 0.898 330 Q HN 0.562 nan 8.270 nan 0.000 0.424 331 A N 1.062 123.870 122.820 -0.021 0.000 2.234 331 A HA -0.018 4.302 4.320 0.000 0.000 0.216 331 A C 1.062 178.628 177.584 -0.029 0.000 1.167 331 A CA 0.446 52.464 52.037 -0.030 0.000 0.698 331 A CB -0.555 18.426 19.000 -0.033 0.000 0.779 331 A HN 0.395 nan 8.150 nan 0.000 0.475 332 L N -1.134 120.078 121.223 -0.018 0.000 2.344 332 L HA 0.816 5.156 4.340 0.000 0.000 0.272 332 L C -0.853 176.008 176.870 -0.014 0.000 1.035 332 L CA -0.895 53.936 54.840 -0.015 0.000 0.807 332 L CB 1.642 43.698 42.059 -0.005 0.000 1.237 332 L HN 0.132 nan 8.230 nan 0.000 0.442 333 I N 3.033 123.595 120.570 -0.014 0.000 2.787 333 I HA 0.566 4.736 4.170 0.000 0.000 0.294 333 I C -1.595 174.516 176.117 -0.010 0.000 1.365 333 I CA -0.068 61.225 61.300 -0.012 0.000 1.029 333 I CB 2.014 40.005 38.000 -0.014 0.000 1.313 333 I HN 0.961 nan 8.210 nan 0.000 0.431 334 D N 2.969 123.365 120.400 -0.007 0.000 3.236 334 D HA 0.625 5.265 4.640 0.000 0.000 0.325 334 D C -0.393 175.904 176.300 -0.005 0.000 1.352 334 D CA 0.620 54.617 54.000 -0.007 0.000 0.979 334 D CB 1.545 42.342 40.800 -0.006 0.000 1.410 334 D HN 0.574 nan 8.370 nan 0.000 0.588 335 T N -3.901 110.650 114.554 -0.005 0.000 3.949 335 T HA 0.285 4.635 4.350 0.000 0.000 0.325 335 T C 1.088 175.785 174.700 -0.006 0.000 0.893 335 T CA 0.309 62.406 62.100 -0.005 0.000 1.221 335 T CB -0.491 68.375 68.868 -0.003 0.000 1.023 335 T HN 0.682 nan 8.240 nan 0.000 0.504 336 G N 0.821 109.618 108.800 -0.006 0.000 3.329 336 G HA2 0.456 4.416 3.960 0.000 0.000 0.180 336 G HA3 0.456 4.416 3.960 0.000 0.000 0.180 336 G C 0.949 175.845 174.900 -0.008 0.000 1.640 336 G CA 0.675 45.771 45.100 -0.006 0.000 1.018 336 G HN 0.381 nan 8.290 nan 0.000 0.581 337 S N -0.052 115.644 115.700 -0.007 0.000 2.575 337 S HA 0.168 4.638 4.470 0.000 0.000 0.215 337 S C 0.332 174.928 174.600 -0.006 0.000 0.966 337 S CA 0.077 58.273 58.200 -0.007 0.000 0.911 337 S CB -0.275 62.921 63.200 -0.007 0.000 0.780 337 S HN 0.438 nan 8.310 nan 0.000 0.514 338 E N 1.949 122.146 120.200 -0.005 0.000 2.115 338 E HA 0.367 4.717 4.350 0.000 0.000 0.282 338 E C -0.757 175.839 176.600 -0.005 0.000 0.987 338 E CA -0.231 56.166 56.400 -0.004 0.000 0.797 338 E CB 1.020 30.718 29.700 -0.004 0.000 1.086 338 E HN 0.420 nan 8.360 nan 0.000 0.397 339 Q N 3.904 123.701 119.800 -0.005 0.000 2.271 339 Q HA 0.589 4.929 4.340 0.000 0.000 0.268 339 Q C -0.544 175.453 176.000 -0.005 0.000 1.021 339 Q CA -0.927 54.873 55.803 -0.005 0.000 0.802 339 Q CB 2.587 31.323 28.738 -0.002 0.000 1.282 339 Q HN 0.625 nan 8.270 nan 0.000 0.431 340 R N -0.872 119.623 120.500 -0.008 0.000 3.135 340 R HA 0.646 4.986 4.340 0.000 0.000 0.276 340 R C -1.289 174.998 176.300 -0.021 0.000 0.925 340 R CA -0.540 55.553 56.100 -0.011 0.000 0.809 340 R CB 0.064 30.358 30.300 -0.012 0.000 1.511 340 R HN 0.515 nan 8.270 nan 0.000 0.486 341 V N -2.819 117.079 119.914 -0.027 0.000 3.680 341 V HA 0.696 4.816 4.120 0.000 0.000 0.312 341 V C -1.041 175.022 176.094 -0.052 0.000 1.541 341 V CA -1.028 61.248 62.300 -0.041 0.000 0.938 341 V CB 1.128 32.929 31.823 -0.036 0.000 1.087 341 V HN 0.614 nan 8.190 nan 0.000 0.480 342 I N 0.803 121.337 120.570 -0.061 0.000 2.646 342 I HA 0.716 4.886 4.170 0.000 0.000 0.299 342 I C -0.247 175.852 176.117 -0.031 0.000 1.036 342 I CA -0.110 61.152 61.300 -0.064 0.000 1.074 342 I CB 1.665 39.588 38.000 -0.129 0.000 1.258 342 I HN 0.820 nan 8.210 nan 0.000 0.430 343 T N 4.322 118.884 114.554 0.012 0.000 2.797 343 T HA 0.610 4.960 4.350 0.000 0.000 0.279 343 T C -0.125 174.637 174.700 0.104 0.000 0.991 343 T CA -0.458 61.664 62.100 0.037 0.000 0.979 343 T CB 2.069 70.957 68.868 0.035 0.000 0.943 343 T HN 0.229 nan 8.240 nan 0.000 0.444 344 V N 3.429 123.397 119.914 0.090 0.000 2.547 344 V HA 0.502 4.622 4.120 0.000 0.000 0.299 344 V C -0.496 175.666 176.094 0.115 0.000 1.040 344 V CA -0.796 61.600 62.300 0.161 0.000 0.913 344 V CB 1.888 33.771 31.823 0.100 0.000 0.992 344 V HN 0.844 nan 8.190 nan 0.000 0.449 345 D N 1.718 122.193 120.400 0.125 0.000 2.374 345 D HA 0.623 5.263 4.640 0.000 0.000 0.239 345 D C 0.874 177.208 176.300 0.056 0.000 0.991 345 D CA -0.120 53.920 54.000 0.067 0.000 0.960 345 D CB 1.997 42.823 40.800 0.043 0.000 1.284 345 D HN 0.503 nan 8.370 nan 0.000 0.512 346 A N 0.691 123.532 122.820 0.035 0.000 1.873 346 A HA -0.161 4.159 4.320 0.000 0.000 0.218 346 A C 0.274 177.872 177.584 0.024 0.000 1.193 346 A CA 1.477 53.531 52.037 0.028 0.000 0.629 346 A CB -0.765 18.245 19.000 0.018 0.000 0.826 346 A HN 0.631 nan 8.150 nan 0.000 0.447 347 D N 0.467 120.876 120.400 0.014 0.000 2.402 347 D HA 0.413 5.053 4.640 0.000 0.000 0.235 347 D C 0.390 176.687 176.300 -0.004 0.000 1.226 347 D CA 0.188 54.189 54.000 0.001 0.000 0.918 347 D CB -0.220 40.575 40.800 -0.010 0.000 1.043 347 D HN 0.263 nan 8.370 nan 0.000 0.506 348 G N 3.145 111.952 108.800 0.012 0.000 2.472 348 G HA2 0.175 4.135 3.960 0.000 0.000 0.291 348 G HA3 0.175 4.135 3.960 0.000 0.000 0.291 348 G C 0.100 174.916 174.900 -0.141 0.000 0.898 348 G CA -0.654 44.470 45.100 0.039 0.000 1.645 348 G HN 0.595 nan 8.290 nan 0.000 0.459 349 R N 1.436 121.834 120.500 -0.170 0.000 2.564 349 R HA 0.555 4.895 4.340 0.000 0.000 0.284 349 R C -1.609 174.586 176.300 -0.174 0.000 1.031 349 R CA -1.062 54.790 56.100 -0.413 0.000 0.904 349 R CB 1.334 31.505 30.300 -0.215 0.000 1.199 349 R HN 0.043 nan 8.270 nan 0.000 0.443 350 F N 2.136 122.091 119.950 0.008 0.000 2.404 350 F HA 0.491 5.018 4.527 0.000 0.000 0.354 350 F C 0.091 175.849 175.800 -0.070 0.000 1.122 350 F CA -1.619 56.358 58.000 -0.039 0.000 1.080 350 F CB 1.792 40.748 39.000 -0.073 0.000 1.131 350 F HN 0.315 nan 8.300 nan 0.000 0.471 351 V N 5.658 125.634 119.914 0.104 0.000 2.376 351 V HA 0.595 4.715 4.120 0.000 0.000 0.287 351 V C -2.576 173.521 176.094 0.006 0.000 1.015 351 V CA -2.675 59.642 62.300 0.028 0.000 0.834 351 V CB 1.689 33.522 31.823 0.017 0.000 1.001 351 V HN 0.455 nan 8.190 nan 0.000 0.428 352 P HA 0.233 nan 4.420 nan 0.000 0.265 352 P C -1.081 176.209 177.300 -0.017 0.000 1.187 352 P CA 0.182 63.262 63.100 -0.033 0.000 0.766 352 P CB 0.319 31.990 31.700 -0.047 0.000 0.820 353 K N 2.819 123.210 120.400 -0.015 0.000 2.482 353 K HA 0.363 4.684 4.320 0.000 0.000 0.251 353 K C -0.514 176.082 176.600 -0.007 0.000 0.936 353 K CA -0.864 55.419 56.287 -0.007 0.000 0.791 353 K CB 1.705 34.203 32.500 -0.003 0.000 1.213 353 K HN 0.243 nan 8.250 nan 0.000 0.428 354 R N 1.479 121.977 120.500 -0.003 0.000 2.267 354 R HA 0.326 4.666 4.340 0.000 0.000 0.319 354 R C 0.081 176.383 176.300 0.004 0.000 1.067 354 R CA -0.321 55.779 56.100 -0.000 0.000 0.936 354 R CB 0.598 30.898 30.300 0.001 0.000 1.006 354 R HN 0.430 nan 8.270 nan 0.000 0.452 355 V N 0.099 120.017 119.914 0.006 0.000 3.102 355 V HA 0.933 5.053 4.120 0.000 0.000 0.312 355 V C -1.158 174.947 176.094 0.019 0.000 1.135 355 V CA -0.908 61.400 62.300 0.014 0.000 1.022 355 V CB 2.246 34.077 31.823 0.014 0.000 1.056 355 V HN 0.735 nan 8.190 nan 0.000 0.436 356 A N 3.384 126.223 122.820 0.031 0.000 2.340 356 A HA 0.783 5.103 4.320 0.000 0.000 0.297 356 A C -0.202 177.420 177.584 0.063 0.000 1.195 356 A CA -0.125 51.934 52.037 0.037 0.000 0.769 356 A CB 0.924 19.945 19.000 0.036 0.000 1.163 356 A HN 2.225 nan 8.150 nan 0.000 0.472 357 V N 0.588 120.534 119.914 0.054 0.000 3.237 357 V HA 0.580 4.700 4.120 0.000 0.000 0.305 357 V C 0.692 176.860 176.094 0.124 0.000 1.096 357 V CA 0.213 62.564 62.300 0.085 0.000 1.130 357 V CB 0.562 32.418 31.823 0.054 0.000 1.048 357 V HN 0.847 nan 8.190 nan 0.000 0.484 358 F N 0.410 120.368 119.950 0.013 0.000 2.322 358 F HA 0.432 4.959 4.527 0.000 0.000 0.223 358 F C 1.370 177.182 175.800 0.019 0.000 1.054 358 F CA 0.077 58.088 58.000 0.018 0.000 1.129 358 F CB 0.467 39.484 39.000 0.029 0.000 1.438 358 F HN 0.592 nan 8.300 nan 0.000 0.597 359 Q N -0.321 119.723 119.800 0.407 0.000 2.576 359 Q HA 0.701 5.041 4.340 0.000 0.000 0.249 359 Q C -1.468 174.629 176.000 0.162 0.000 1.041 359 Q CA -0.870 55.070 55.803 0.228 0.000 0.928 359 Q CB 1.924 30.849 28.738 0.312 0.000 1.302 359 Q HN 0.406 nan 8.270 nan 0.000 0.504 360 A N 1.052 123.946 122.820 0.124 0.000 2.881 360 A HA 0.314 4.634 4.320 0.000 0.000 0.265 360 A C -0.908 176.728 177.584 0.086 0.000 1.297 360 A CA -0.516 51.577 52.037 0.094 0.000 0.989 360 A CB -0.020 19.014 19.000 0.057 0.000 1.421 360 A HN 0.502 nan 8.150 nan 0.000 0.688 361 S N 0.798 116.581 115.700 0.139 0.000 2.549 361 S HA 0.664 5.134 4.470 0.000 0.000 0.297 361 S C 0.431 175.092 174.600 0.102 0.000 1.115 361 S CA -0.130 58.152 58.200 0.136 0.000 1.059 361 S CB 1.537 64.896 63.200 0.265 0.000 1.046 361 S HN 0.906 nan 8.310 nan 0.000 0.506 362 Q N 0.386 120.226 119.800 0.066 0.000 2.360 362 Q HA -0.170 4.170 4.340 0.000 0.000 0.192 362 Q C 0.894 176.908 176.000 0.022 0.000 0.615 362 Q CA 1.271 57.097 55.803 0.039 0.000 1.355 362 Q CB -2.139 26.621 28.738 0.036 0.000 1.324 362 Q HN 2.242 nan 8.270 nan 0.000 0.885 363 G N -0.555 108.259 108.800 0.024 0.000 2.131 363 G HA2 -0.139 3.821 3.960 0.000 0.000 0.201 363 G HA3 -0.139 3.821 3.960 0.000 0.000 0.201 363 G C -0.020 174.889 174.900 0.014 0.000 1.000 363 G CA 0.569 45.678 45.100 0.014 0.000 0.680 363 G HN 1.180 nan 8.290 nan 0.000 0.514 364 V N -1.635 118.294 119.914 0.024 0.000 2.612 364 V HA 0.906 5.026 4.120 0.000 0.000 0.301 364 V C 0.146 176.263 176.094 0.038 0.000 1.059 364 V CA 0.174 62.486 62.300 0.021 0.000 0.886 364 V CB 1.385 33.215 31.823 0.010 0.000 1.007 364 V HN 1.378 nan 8.190 nan 0.000 0.426 365 T N 2.463 117.038 114.554 0.036 0.000 2.899 365 T HA 0.826 5.176 4.350 0.000 0.000 0.284 365 T C 0.138 174.873 174.700 0.058 0.000 1.004 365 T CA 0.073 62.205 62.100 0.054 0.000 1.043 365 T CB 1.583 70.478 68.868 0.045 0.000 1.013 365 T HN 2.194 nan 8.240 nan 0.000 0.518 366 A N 3.078 125.953 122.820 0.092 0.000 2.332 366 A HA 0.635 4.955 4.320 0.000 0.000 0.300 366 A C -0.743 176.911 177.584 0.118 0.000 1.153 366 A CA -0.864 51.219 52.037 0.077 0.000 0.764 366 A CB 0.367 19.408 19.000 0.067 0.000 1.174 366 A HN 0.700 nan 8.150 nan 0.000 0.467 367 L N 2.216 123.482 121.223 0.070 0.000 2.331 367 L HA 0.419 4.759 4.340 0.000 0.000 0.278 367 L C 1.675 178.606 176.870 0.101 0.000 1.106 367 L CA -0.030 54.862 54.840 0.086 0.000 0.824 367 L CB 0.535 42.621 42.059 0.045 0.000 1.142 367 L HN 0.902 nan 8.230 nan 0.000 0.443 368 R N 1.283 121.887 120.500 0.172 0.000 2.064 368 R HA 0.109 4.449 4.340 0.000 0.000 0.228 368 R C -0.103 176.251 176.300 0.090 0.000 1.144 368 R CA 1.141 57.356 56.100 0.192 0.000 0.932 368 R CB 0.179 30.623 30.300 0.240 0.000 0.833 368 R HN 0.756 nan 8.270 nan 0.000 0.429 369 S N -3.653 112.090 115.700 0.071 0.000 2.550 369 S HA 0.617 5.087 4.470 0.000 0.000 0.270 369 S C -0.166 174.453 174.600 0.032 0.000 1.145 369 S CA -0.477 57.749 58.200 0.043 0.000 0.852 369 S CB 1.978 65.202 63.200 0.041 0.000 1.119 369 S HN 0.497 nan 8.310 nan 0.000 0.465 370 G N 0.434 109.247 108.800 0.021 0.000 3.876 370 G HA2 0.001 3.961 3.960 0.000 0.000 0.203 370 G HA3 0.001 3.961 3.960 0.000 0.000 0.203 370 G C -0.618 174.288 174.900 0.011 0.000 1.162 370 G CA -0.435 44.675 45.100 0.016 0.000 0.903 370 G HN 0.526 nan 8.290 nan 0.000 0.390 371 L N 1.032 122.261 121.223 0.010 0.000 2.304 371 L HA 0.883 5.223 4.340 0.000 0.000 0.268 371 L C 0.479 177.351 176.870 0.004 0.000 1.010 371 L CA -0.731 54.112 54.840 0.006 0.000 0.813 371 L CB 1.878 43.939 42.059 0.004 0.000 1.315 371 L HN 0.391 nan 8.230 nan 0.000 0.445 372 A N -0.223 122.598 122.820 0.003 0.000 2.299 372 A HA 0.336 4.656 4.320 0.000 0.000 0.332 372 A C 0.741 178.324 177.584 -0.001 0.000 1.131 372 A CA -0.424 51.614 52.037 0.001 0.000 0.844 372 A CB 1.284 20.285 19.000 0.002 0.000 1.251 372 A HN 0.892 nan 8.150 nan 0.000 0.486 373 E N 0.804 121.002 120.200 -0.003 0.000 2.038 373 E HA -0.190 4.160 4.350 0.000 0.000 0.195 373 E C 1.768 178.365 176.600 -0.004 0.000 1.000 373 E CA 1.857 58.254 56.400 -0.006 0.000 0.803 373 E CB -0.339 29.357 29.700 -0.007 0.000 0.750 373 E HN 0.836 nan 8.360 nan 0.000 0.448 374 G N 0.404 109.203 108.800 -0.002 0.000 2.408 374 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 374 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 374 G C 0.274 175.175 174.900 0.002 0.000 1.150 374 G CA 0.186 45.286 45.100 0.000 0.000 0.776 374 G HN 0.289 nan 8.290 nan 0.000 0.542 375 E N 0.395 120.597 120.200 0.003 0.000 2.508 375 E HA 0.141 4.491 4.350 0.000 0.000 0.266 375 E C 0.292 176.894 176.600 0.004 0.000 1.010 375 E CA 0.568 56.971 56.400 0.006 0.000 0.955 375 E CB 0.607 30.311 29.700 0.007 0.000 0.946 375 E HN 0.182 nan 8.360 nan 0.000 0.454 376 K N 0.738 121.143 120.400 0.008 0.000 2.132 376 K HA 0.615 4.935 4.320 0.000 0.000 0.241 376 K C -0.887 175.708 176.600 -0.008 0.000 1.000 376 K CA -0.723 55.565 56.287 0.002 0.000 0.911 376 K CB 1.754 34.260 32.500 0.009 0.000 1.093 376 K HN 0.230 nan 8.250 nan 0.000 0.460 377 V N 0.490 120.390 119.914 -0.024 0.000 3.178 377 V HA 0.272 4.393 4.120 0.000 0.000 0.302 377 V C -1.617 174.435 176.094 -0.069 0.000 1.262 377 V CA -0.907 61.366 62.300 -0.044 0.000 1.030 377 V CB 2.210 34.012 31.823 -0.035 0.000 1.074 377 V HN 0.470 nan 8.190 nan 0.000 0.438 378 V N 5.324 125.176 119.914 -0.103 0.000 2.406 378 V HA 0.766 4.886 4.120 0.000 0.000 0.272 378 V C 0.084 176.130 176.094 -0.080 0.000 1.043 378 V CA 0.651 62.877 62.300 -0.123 0.000 0.915 378 V CB 1.400 33.102 31.823 -0.201 0.000 0.988 378 V HN 1.248 nan 8.190 nan 0.000 0.466 379 S N 4.292 119.955 115.700 -0.061 0.000 2.456 379 S HA 0.511 4.981 4.470 0.000 0.000 0.316 379 S C 0.362 174.941 174.600 -0.036 0.000 1.089 379 S CA 0.118 58.293 58.200 -0.041 0.000 1.101 379 S CB 1.092 64.274 63.200 -0.030 0.000 0.995 379 S HN 2.445 nan 8.310 nan 0.000 0.468 380 S N 0.946 116.628 115.700 -0.029 0.000 3.587 380 S HA -0.137 4.333 4.470 0.000 0.000 0.337 380 S C 0.742 175.330 174.600 -0.021 0.000 1.119 380 S CA 0.533 58.721 58.200 -0.021 0.000 0.976 380 S CB -2.206 60.984 63.200 -0.016 0.000 0.922 380 S HN 1.758 nan 8.310 nan 0.000 0.503 381 G N 0.338 109.120 108.800 -0.031 0.000 2.714 381 G HA2 0.715 4.675 3.960 0.000 0.000 0.197 381 G HA3 0.715 4.675 3.960 0.000 0.000 0.197 381 G C -0.297 174.601 174.900 -0.003 0.000 1.449 381 G CA -0.421 44.660 45.100 -0.030 0.000 1.065 381 G HN 1.382 nan 8.290 nan 0.000 0.575 382 L N -1.451 119.782 121.223 0.016 0.000 2.611 382 L HA 0.649 4.989 4.340 0.000 0.000 0.260 382 L C -2.073 174.882 176.870 0.140 0.000 0.924 382 L CA -0.820 54.054 54.840 0.058 0.000 0.901 382 L CB 1.935 44.012 42.059 0.030 0.000 1.369 382 L HN 0.539 nan 8.230 nan 0.000 0.415 383 F N 4.416 124.362 119.950 -0.007 0.000 2.626 383 F HA 0.744 5.271 4.527 0.000 0.000 0.311 383 F C -1.815 174.004 175.800 0.031 0.000 1.088 383 F CA -0.632 57.384 58.000 0.027 0.000 0.949 383 F CB 1.948 40.967 39.000 0.032 0.000 1.322 383 F HN 0.230 nan 8.300 nan 0.000 0.461 384 L N 5.814 126.615 121.223 -0.704 0.000 2.376 384 L HA 0.488 4.828 4.340 0.000 0.000 0.275 384 L C -0.121 176.556 176.870 -0.323 0.000 0.987 384 L CA -0.688 53.937 54.840 -0.358 0.000 0.828 384 L CB 1.605 43.477 42.059 -0.313 0.000 1.249 384 L HN 0.578 nan 8.230 nan 0.000 0.409 385 I N 0.000 120.617 120.570 0.079 0.000 2.984 385 I HA 0.000 4.170 4.170 0.000 0.000 0.288 385 I CA 0.000 61.408 61.300 0.180 0.000 1.566 385 I CB 0.000 38.091 38.000 0.152 0.000 1.214 385 I HN 0.000 nan 8.210 nan 0.000 0.494