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 1z2z_1_B DATA FIRST_RESID 2 DATA SEQUENCE EVPEIEKQIG INLYSTDTTG LGGQLRQEIE DFIVKEITNR EEGEEGKYLI DATA SEQUENCE VELTKRDWDT HHLTRTLSRI LQVSQKRISV AGTKDKRALT TQKISIFDTD DATA SEQUENCE ASEIEKIHLK DIELKVLGRS RKSVELGDLW GNDFRITVRN IENSPEETEA DATA SEQUENCE LLKKTTDEIL AQGGVPNFFG IQRFGSVRPV THLVGKAIVE GNFEKAALLY DATA SEQUENCE IAEPFPEEPE ETKNARQFVK DTLDFKEGLK TYPLRLGHER AXXNHLIANP DATA SEQUENCE EDYSGSFRVL PQNLYRXFVH GYQSYIYNII LCRRIEAGIP LNRAVEGDIV DATA SEQUENCE CFRNEVGLPD SSKTEKVTSE TVNAXNRLLK LGRAFITAPL PGYNTEFASG DATA SEQUENCE IPGEIENGVL KELGVSLEGF NIEKFPEXSS KGTRREVLLE VKPKFEAGED DATA SEQUENCE ELNPGKSKAV LEFXLPKGSY ATTVLREYXK VNPLQ 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.705 176.600 0.175 0.000 1.382 2 E CA 0.000 56.482 56.400 0.137 0.000 0.976 2 E CB 0.000 29.761 29.700 0.101 0.000 0.812 3 V N 2.729 122.710 119.914 0.111 0.000 2.555 3 V HA 0.291 4.411 4.120 -0.000 0.000 0.286 3 V C -1.980 174.114 176.094 0.000 0.000 1.044 3 V CA -1.206 61.094 62.300 0.000 0.000 1.026 3 V CB 0.688 32.354 31.823 -0.261 0.000 0.981 3 V HN 0.100 nan 8.190 nan 0.000 0.480 4 P HA 0.083 nan 4.420 nan 0.000 0.269 4 P C 0.331 177.627 177.300 -0.006 0.000 1.215 4 P CA 0.057 63.169 63.100 0.019 0.000 0.780 4 P CB 0.935 32.658 31.700 0.039 0.000 0.898 5 E N 1.315 121.519 120.200 0.006 0.000 2.118 5 E HA -0.177 4.172 4.350 -0.000 0.000 0.195 5 E C 1.655 178.261 176.600 0.009 0.000 0.992 5 E CA 1.400 57.803 56.400 0.004 0.000 0.804 5 E CB -0.883 28.824 29.700 0.011 0.000 0.741 5 E HN 0.361 nan 8.360 nan 0.000 0.458 6 I N 1.213 121.796 120.570 0.022 0.000 2.113 6 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 6 I C 2.246 178.361 176.117 -0.003 0.000 1.064 6 I CA 1.874 63.194 61.300 0.033 0.000 1.320 6 I CB -0.584 37.443 38.000 0.044 0.000 1.028 6 I HN 0.176 nan 8.210 nan 0.000 0.406 7 E N 0.250 120.430 120.200 -0.034 0.000 2.150 7 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 7 E C 2.129 178.657 176.600 -0.119 0.000 0.985 7 E CA 0.820 57.164 56.400 -0.093 0.000 0.814 7 E CB -0.118 29.503 29.700 -0.133 0.000 0.752 7 E HN 0.474 nan 8.360 nan 0.000 0.466 8 K N 0.621 120.971 120.400 -0.084 0.000 2.209 8 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 8 K C 2.051 178.648 176.600 -0.005 0.000 1.048 8 K CA 0.918 57.164 56.287 -0.068 0.000 0.940 8 K CB -0.004 32.469 32.500 -0.045 0.000 0.729 8 K HN 0.119 nan 8.250 nan 0.000 0.451 9 Q N 0.520 120.328 119.800 0.015 0.000 2.297 9 Q HA -0.020 4.320 4.340 -0.000 0.000 0.204 9 Q C 1.575 177.624 176.000 0.081 0.000 0.962 9 Q CA 0.759 56.611 55.803 0.082 0.000 0.879 9 Q CB 0.124 28.914 28.738 0.087 0.000 0.947 9 Q HN 0.480 nan 8.270 nan 0.000 0.462 10 I N -4.486 116.017 120.570 -0.110 0.000 3.884 10 I HA 0.447 4.617 4.170 -0.000 0.000 0.330 10 I C 0.652 176.688 176.117 -0.135 0.000 1.451 10 I CA 0.295 61.353 61.300 -0.403 0.000 1.165 10 I CB -0.040 37.576 38.000 -0.639 0.000 1.097 10 I HN 0.144 nan 8.210 nan 0.000 0.404 11 G N 2.335 111.119 108.800 -0.026 0.000 2.159 11 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.256 11 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.256 11 G C -0.020 174.722 174.900 -0.263 0.000 0.977 11 G CA 0.201 45.152 45.100 -0.248 0.000 0.652 11 G HN 0.523 nan 8.290 nan 0.000 0.531 12 I N 2.069 122.464 120.570 -0.293 0.000 2.371 12 I HA 0.254 4.424 4.170 -0.000 0.000 0.282 12 I C 0.980 176.914 176.117 -0.305 0.000 1.031 12 I CA -0.564 60.480 61.300 -0.427 0.000 1.180 12 I CB 0.866 38.442 38.000 -0.707 0.000 1.336 12 I HN 0.289 nan 8.210 nan 0.000 0.467 13 N N 6.981 125.541 118.700 -0.233 0.000 2.203 13 N HA 0.095 4.835 4.740 -0.000 0.000 0.207 13 N C -0.135 175.255 175.510 -0.199 0.000 1.130 13 N CA -0.035 52.904 53.050 -0.185 0.000 0.861 13 N CB 0.804 39.221 38.487 -0.116 0.000 1.005 13 N HN 0.431 nan 8.380 nan 0.000 0.507 14 L N -3.123 117.953 121.223 -0.246 0.000 2.461 14 L HA 0.697 5.037 4.340 -0.000 0.000 0.242 14 L C -1.429 175.239 176.870 -0.337 0.000 1.143 14 L CA -1.582 53.127 54.840 -0.218 0.000 0.984 14 L CB 0.100 42.130 42.059 -0.047 0.000 1.573 14 L HN -0.200 nan 8.230 nan 0.000 0.404 15 Y N -1.419 118.913 120.300 0.054 0.000 2.609 15 Y HA 0.591 5.141 4.550 -0.000 0.000 0.342 15 Y C 1.064 176.981 175.900 0.028 0.000 1.058 15 Y CA -0.023 58.114 58.100 0.063 0.000 1.055 15 Y CB 2.328 40.802 38.460 0.023 0.000 1.292 15 Y HN 0.695 nan 8.280 nan 0.000 0.476 16 S N -1.769 114.038 115.700 0.178 0.000 2.492 16 S HA 0.067 4.537 4.470 -0.000 0.000 0.218 16 S C 0.500 175.109 174.600 0.015 0.000 1.016 16 S CA 0.500 58.731 58.200 0.053 0.000 0.916 16 S CB -0.327 62.862 63.200 -0.018 0.000 0.791 16 S HN 0.684 nan 8.310 nan 0.000 0.513 17 T N 1.404 115.959 114.554 0.002 0.000 2.824 17 T HA 0.501 4.851 4.350 -0.000 0.000 0.280 17 T C -0.382 174.288 174.700 -0.050 0.000 0.995 17 T CA -0.560 61.504 62.100 -0.058 0.000 1.009 17 T CB 1.572 70.355 68.868 -0.143 0.000 0.955 17 T HN 0.172 nan 8.240 nan 0.000 0.452 18 D N 1.075 121.449 120.400 -0.044 0.000 2.434 18 D HA 0.091 4.730 4.640 -0.000 0.000 0.232 18 D C 0.619 176.879 176.300 -0.066 0.000 1.166 18 D CA -0.424 53.554 54.000 -0.038 0.000 0.830 18 D CB -0.586 40.203 40.800 -0.017 0.000 0.960 18 D HN 0.673 nan 8.370 nan 0.000 0.497 19 T N -3.279 111.214 114.554 -0.102 0.000 2.875 19 T HA 0.400 4.750 4.350 -0.000 0.000 0.284 19 T C 0.434 175.061 174.700 -0.122 0.000 0.995 19 T CA -0.723 61.317 62.100 -0.101 0.000 1.060 19 T CB 1.266 70.072 68.868 -0.103 0.000 0.967 19 T HN -0.069 nan 8.240 nan 0.000 0.476 20 T N 3.053 117.554 114.554 -0.090 0.000 2.933 20 T HA 0.343 4.692 4.350 -0.000 0.000 0.306 20 T C 1.194 175.836 174.700 -0.098 0.000 1.045 20 T CA 0.309 62.357 62.100 -0.087 0.000 1.143 20 T CB -0.020 68.816 68.868 -0.054 0.000 1.003 20 T HN 0.941 nan 8.240 nan 0.000 0.540 21 G N 1.767 110.495 108.800 -0.119 0.000 2.614 21 G HA2 0.285 4.245 3.960 -0.000 0.000 0.239 21 G HA3 0.285 4.245 3.960 -0.000 0.000 0.239 21 G C 0.941 175.821 174.900 -0.033 0.000 1.240 21 G CA -0.657 44.384 45.100 -0.098 0.000 0.842 21 G HN 0.809 nan 8.290 nan 0.000 0.584 22 L N 1.535 122.760 121.223 0.004 0.000 2.418 22 L HA 0.174 4.514 4.340 -0.000 0.000 0.218 22 L C 2.226 179.110 176.870 0.023 0.000 1.125 22 L CA 0.961 55.813 54.840 0.020 0.000 0.835 22 L CB -0.622 41.464 42.059 0.045 0.000 0.953 22 L HN 1.039 nan 8.230 nan 0.000 0.454 23 G N 0.049 108.866 108.800 0.027 0.000 2.561 23 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.289 23 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.289 23 G C 0.585 175.512 174.900 0.046 0.000 1.169 23 G CA -0.091 45.029 45.100 0.034 0.000 0.980 23 G HN 0.943 nan 8.290 nan 0.000 0.550 24 G N -1.002 107.823 108.800 0.041 0.000 2.894 24 G HA2 0.379 4.339 3.960 -0.000 0.000 0.247 24 G HA3 0.379 4.339 3.960 -0.000 0.000 0.247 24 G C -0.071 174.864 174.900 0.058 0.000 1.442 24 G CA 1.342 46.470 45.100 0.047 0.000 0.897 24 G HN 2.345 nan 8.290 nan 0.000 0.550 25 Q N -1.379 118.458 119.800 0.062 0.000 2.484 25 Q HA 0.826 5.166 4.340 -0.000 0.000 0.285 25 Q C -0.726 175.329 176.000 0.091 0.000 1.097 25 Q CA -1.222 54.625 55.803 0.073 0.000 0.802 25 Q CB 2.107 30.881 28.738 0.060 0.000 1.444 25 Q HN 0.741 nan 8.270 nan 0.000 0.429 26 L N 0.282 121.572 121.223 0.111 0.000 2.271 26 L HA 0.564 4.904 4.340 -0.000 0.000 0.265 26 L C 0.285 177.241 176.870 0.142 0.000 1.013 26 L CA -1.352 53.583 54.840 0.157 0.000 0.820 26 L CB 1.184 43.378 42.059 0.224 0.000 1.352 26 L HN 0.719 nan 8.230 nan 0.000 0.443 27 R N 0.375 120.993 120.500 0.197 0.000 3.847 27 R HA -0.263 4.077 4.340 -0.000 0.000 0.304 27 R C 1.126 177.482 176.300 0.095 0.000 1.203 27 R CA 1.129 57.314 56.100 0.141 0.000 0.835 27 R CB -1.855 28.482 30.300 0.063 0.000 1.253 27 R HN 0.827 nan 8.270 nan 0.000 0.516 28 Q N 0.933 120.788 119.800 0.093 0.000 2.167 28 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 28 Q C 0.157 176.193 176.000 0.060 0.000 0.970 28 Q CA 1.552 57.395 55.803 0.066 0.000 0.855 28 Q CB 0.273 29.046 28.738 0.060 0.000 0.911 28 Q HN 0.334 nan 8.270 nan 0.000 0.438 29 E N -1.420 118.825 120.200 0.074 0.000 2.314 29 E HA 0.229 4.579 4.350 -0.000 0.000 0.272 29 E C 0.221 176.872 176.600 0.085 0.000 0.884 29 E CA -0.323 56.117 56.400 0.066 0.000 0.753 29 E CB 0.954 30.687 29.700 0.056 0.000 1.213 29 E HN 0.128 nan 8.360 nan 0.000 0.432 30 I N 1.877 122.491 120.570 0.074 0.000 2.113 30 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 30 I C 1.254 177.439 176.117 0.112 0.000 1.064 30 I CA 1.382 62.736 61.300 0.090 0.000 1.320 30 I CB -0.103 37.940 38.000 0.072 0.000 1.028 30 I HN 0.610 nan 8.210 nan 0.000 0.406 31 E N 0.680 120.930 120.200 0.084 0.000 2.401 31 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 31 E C 1.352 177.997 176.600 0.075 0.000 1.023 31 E CA 0.740 57.183 56.400 0.072 0.000 0.859 31 E CB -0.343 29.385 29.700 0.046 0.000 0.780 31 E HN 0.415 nan 8.360 nan 0.000 0.523 32 D N -0.917 119.544 120.400 0.102 0.000 2.378 32 D HA -0.061 4.579 4.640 -0.000 0.000 0.222 32 D C -0.585 175.793 176.300 0.130 0.000 0.980 32 D CA 0.655 54.715 54.000 0.101 0.000 0.907 32 D CB 0.031 40.904 40.800 0.122 0.000 0.899 32 D HN 0.098 nan 8.370 nan 0.000 0.527 33 F N 0.569 120.550 119.950 0.051 0.000 2.716 33 F HA 0.383 4.909 4.527 -0.000 0.000 0.354 33 F C -0.902 174.926 175.800 0.047 0.000 1.168 33 F CA -0.776 57.267 58.000 0.071 0.000 1.045 33 F CB 0.930 39.984 39.000 0.091 0.000 1.311 33 F HN -0.338 nan 8.300 nan 0.000 0.477 34 I N 5.946 126.488 120.570 -0.046 0.000 2.406 34 I HA 0.541 4.711 4.170 -0.000 0.000 0.290 34 I C -1.109 174.935 176.117 -0.120 0.000 0.999 34 I CA -1.034 60.248 61.300 -0.030 0.000 1.124 34 I CB 1.856 39.816 38.000 -0.066 0.000 1.289 34 I HN 0.108 nan 8.210 nan 0.000 0.441 35 V N 6.230 126.082 119.914 -0.102 0.000 2.577 35 V HA 0.427 4.547 4.120 -0.000 0.000 0.303 35 V C -0.460 175.498 176.094 -0.227 0.000 1.042 35 V CA -0.838 61.282 62.300 -0.300 0.000 0.872 35 V CB 1.933 33.618 31.823 -0.231 0.000 0.998 35 V HN 0.633 nan 8.190 nan 0.000 0.423 36 K N 2.993 123.229 120.400 -0.275 0.000 2.376 36 K HA 0.487 4.807 4.320 -0.000 0.000 0.257 36 K C -0.417 176.093 176.600 -0.150 0.000 0.939 36 K CA -0.619 55.570 56.287 -0.162 0.000 0.809 36 K CB 2.681 35.105 32.500 -0.127 0.000 1.121 36 K HN 0.756 nan 8.250 nan 0.000 0.425 37 E N 2.931 123.076 120.200 -0.091 0.000 2.398 37 E HA 0.104 4.454 4.350 -0.000 0.000 0.263 37 E C -0.734 175.863 176.600 -0.006 0.000 1.046 37 E CA -0.166 56.206 56.400 -0.046 0.000 0.908 37 E CB 0.629 30.313 29.700 -0.026 0.000 0.963 37 E HN 0.431 nan 8.360 nan 0.000 0.431 38 I N 4.472 125.080 120.570 0.063 0.000 2.460 38 I HA 0.080 4.250 4.170 -0.000 0.000 0.277 38 I C 0.519 176.702 176.117 0.110 0.000 1.057 38 I CA -0.550 60.803 61.300 0.088 0.000 1.179 38 I CB 1.025 39.133 38.000 0.180 0.000 1.329 38 I HN 0.567 nan 8.210 nan 0.000 0.478 39 T N 1.599 116.183 114.554 0.050 0.000 2.791 39 T HA 0.028 4.378 4.350 -0.000 0.000 0.323 39 T C 0.745 175.483 174.700 0.064 0.000 1.082 39 T CA -0.289 61.839 62.100 0.048 0.000 1.084 39 T CB 0.628 69.506 68.868 0.016 0.000 0.992 39 T HN 0.707 nan 8.240 nan 0.000 0.547 40 N N 0.359 119.095 118.700 0.061 0.000 2.377 40 N HA 0.117 4.857 4.740 -0.000 0.000 0.259 40 N C -0.392 175.136 175.510 0.030 0.000 1.332 40 N CA -0.846 52.242 53.050 0.064 0.000 0.877 40 N CB 0.219 38.771 38.487 0.109 0.000 1.299 40 N HN 0.934 nan 8.380 nan 0.000 0.501 41 R N -1.267 119.242 120.500 0.014 0.000 2.668 41 R HA 0.575 4.915 4.340 -0.000 0.000 0.272 41 R C -1.563 174.735 176.300 -0.003 0.000 1.019 41 R CA -0.848 55.254 56.100 0.002 0.000 0.894 41 R CB 1.200 31.497 30.300 -0.006 0.000 1.228 41 R HN -0.062 nan 8.270 nan 0.000 0.460 42 E N 1.998 122.195 120.200 -0.005 0.000 2.166 42 E HA 0.224 4.574 4.350 -0.000 0.000 0.275 42 E C -0.757 175.842 176.600 -0.002 0.000 0.941 42 E CA -0.567 55.830 56.400 -0.005 0.000 0.784 42 E CB 1.251 30.947 29.700 -0.006 0.000 1.115 42 E HN 0.476 nan 8.360 nan 0.000 0.399 43 E N 2.197 122.398 120.200 0.000 0.000 2.359 43 E HA 0.532 4.882 4.350 -0.000 0.000 0.255 43 E C 0.276 176.881 176.600 0.009 0.000 1.191 43 E CA -0.428 55.976 56.400 0.007 0.000 0.952 43 E CB 0.929 30.636 29.700 0.012 0.000 1.152 43 E HN 0.653 nan 8.360 nan 0.000 0.496 44 G N -0.336 108.473 108.800 0.016 0.000 3.356 44 G HA2 0.299 4.259 3.960 -0.000 0.000 0.178 44 G HA3 0.299 4.259 3.960 -0.000 0.000 0.178 44 G C -0.133 174.777 174.900 0.016 0.000 1.130 44 G CA -0.126 44.983 45.100 0.014 0.000 0.800 44 G HN 0.494 nan 8.290 nan 0.000 0.669 45 E N -0.835 119.375 120.200 0.018 0.000 2.679 45 E HA 0.234 4.584 4.350 -0.000 0.000 0.221 45 E C -0.587 176.025 176.600 0.021 0.000 0.928 45 E CA -0.194 56.216 56.400 0.017 0.000 1.296 45 E CB 0.885 30.591 29.700 0.010 0.000 1.235 45 E HN 0.223 nan 8.360 nan 0.000 0.622 46 E N 1.174 121.389 120.200 0.025 0.000 2.207 46 E HA 0.638 4.988 4.350 -0.000 0.000 0.270 46 E C 0.080 176.706 176.600 0.043 0.000 0.927 46 E CA -0.506 55.911 56.400 0.027 0.000 0.799 46 E CB 2.017 31.730 29.700 0.021 0.000 1.172 46 E HN 0.252 nan 8.360 nan 0.000 0.404 47 G N 1.329 110.158 108.800 0.047 0.000 2.316 47 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.468 47 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.468 47 G C -0.080 174.861 174.900 0.068 0.000 1.523 47 G CA -0.694 44.450 45.100 0.074 0.000 0.972 47 G HN 0.343 nan 8.290 nan 0.000 0.667 48 K N -0.429 120.004 120.400 0.055 0.000 2.167 48 K HA 0.112 4.432 4.320 -0.000 0.000 0.203 48 K C 0.462 177.055 176.600 -0.012 0.000 1.052 48 K CA 0.874 57.150 56.287 -0.018 0.000 0.956 48 K CB 0.020 32.448 32.500 -0.119 0.000 0.735 48 K HN 0.472 nan 8.250 nan 0.000 0.451 49 Y N 1.172 121.539 120.300 0.112 0.000 2.436 49 Y HA 0.134 4.684 4.550 -0.000 0.000 0.336 49 Y C -0.024 175.921 175.900 0.076 0.000 1.049 49 Y CA -0.831 57.348 58.100 0.131 0.000 1.294 49 Y CB 0.377 38.892 38.460 0.091 0.000 1.179 49 Y HN -0.034 nan 8.280 nan 0.000 0.520 50 L N 5.900 127.244 121.223 0.202 0.000 2.257 50 L HA 0.432 4.772 4.340 -0.000 0.000 0.290 50 L C -1.064 175.871 176.870 0.109 0.000 1.044 50 L CA -0.272 54.635 54.840 0.111 0.000 0.810 50 L CB -0.017 42.074 42.059 0.054 0.000 1.193 50 L HN 0.377 nan 8.230 nan 0.000 0.425 51 I N 6.434 127.052 120.570 0.081 0.000 2.365 51 I HA 0.421 4.590 4.170 -0.000 0.000 0.291 51 I C 0.008 176.142 176.117 0.029 0.000 1.004 51 I CA -0.408 60.925 61.300 0.055 0.000 1.311 51 I CB 1.243 39.268 38.000 0.040 0.000 1.401 51 I HN 0.314 nan 8.210 nan 0.000 0.491 52 V N 5.519 125.444 119.914 0.018 0.000 2.925 52 V HA 0.306 4.426 4.120 -0.000 0.000 0.311 52 V C -0.101 175.988 176.094 -0.008 0.000 1.104 52 V CA -0.881 61.420 62.300 0.001 0.000 0.954 52 V CB 2.744 34.564 31.823 -0.006 0.000 1.022 52 V HN 0.800 nan 8.190 nan 0.000 0.427 53 E N 3.409 123.601 120.200 -0.014 0.000 2.167 53 E HA 0.453 4.803 4.350 -0.000 0.000 0.284 53 E C -1.305 175.279 176.600 -0.028 0.000 1.016 53 E CA -0.607 55.782 56.400 -0.019 0.000 0.817 53 E CB 1.448 31.137 29.700 -0.018 0.000 1.080 53 E HN 0.501 nan 8.360 nan 0.000 0.397 54 L N 4.599 125.802 121.223 -0.033 0.000 2.282 54 L HA 0.430 4.770 4.340 -0.000 0.000 0.288 54 L C -1.064 175.781 176.870 -0.041 0.000 1.033 54 L CA 0.059 54.870 54.840 -0.049 0.000 0.807 54 L CB 1.776 43.800 42.059 -0.058 0.000 1.209 54 L HN 0.494 nan 8.230 nan 0.000 0.423 55 T N 5.553 120.081 114.554 -0.043 0.000 2.809 55 T HA 0.548 4.898 4.350 -0.000 0.000 0.284 55 T C -0.851 173.836 174.700 -0.021 0.000 0.992 55 T CA -0.709 61.378 62.100 -0.022 0.000 0.957 55 T CB 0.891 69.753 68.868 -0.011 0.000 0.942 55 T HN 0.689 nan 8.240 nan 0.000 0.439 56 K N 2.002 122.410 120.400 0.013 0.000 2.422 56 K HA 0.706 5.026 4.320 -0.000 0.000 0.251 56 K C -0.952 175.732 176.600 0.140 0.000 0.933 56 K CA -1.235 55.087 56.287 0.060 0.000 0.798 56 K CB 2.599 35.128 32.500 0.049 0.000 1.238 56 K HN 0.384 nan 8.250 nan 0.000 0.428 57 R N 2.023 122.658 120.500 0.225 0.000 2.409 57 R HA 0.097 4.437 4.340 -0.000 0.000 0.313 57 R C -1.048 175.390 176.300 0.230 0.000 0.953 57 R CA -0.131 56.084 56.100 0.191 0.000 0.849 57 R CB 0.658 31.044 30.300 0.143 0.000 1.171 57 R HN 0.914 nan 8.270 nan 0.000 0.458 58 D N 3.119 123.611 120.400 0.154 0.000 2.716 58 D HA -0.207 4.433 4.640 -0.000 0.000 0.239 58 D C -1.721 174.594 176.300 0.025 0.000 1.125 58 D CA 1.210 55.251 54.000 0.067 0.000 0.681 58 D CB -0.646 40.157 40.800 0.005 0.000 1.070 58 D HN 0.442 nan 8.370 nan 0.000 0.432 59 W N 0.160 121.474 121.300 0.024 0.000 2.936 59 W HA 0.358 5.018 4.660 -0.000 0.000 0.338 59 W C -0.166 176.363 176.519 0.015 0.000 1.121 59 W CA -0.945 56.419 57.345 0.032 0.000 1.209 59 W CB 1.283 30.761 29.460 0.031 0.000 1.420 59 W HN -0.100 nan 8.180 nan 0.000 0.516 60 D N 1.060 121.645 120.400 0.308 0.000 2.295 60 D HA 0.175 4.815 4.640 -0.000 0.000 0.248 60 D C 1.127 177.554 176.300 0.210 0.000 1.154 60 D CA 0.345 54.418 54.000 0.122 0.000 0.857 60 D CB 1.546 42.225 40.800 -0.202 0.000 1.117 60 D HN 0.302 nan 8.370 nan 0.000 0.468 61 T N 2.277 116.914 114.554 0.138 0.000 2.649 61 T HA -0.290 4.060 4.350 -0.000 0.000 0.268 61 T C 1.443 176.223 174.700 0.134 0.000 1.036 61 T CA 1.912 64.082 62.100 0.117 0.000 1.157 61 T CB -0.548 68.370 68.868 0.083 0.000 0.861 61 T HN 0.611 nan 8.240 nan 0.000 0.445 62 H N -0.084 119.021 119.070 0.058 0.000 2.423 62 H HA -0.003 4.553 4.556 -0.000 0.000 0.297 62 H C 2.114 177.575 175.328 0.221 0.000 1.075 62 H CA 1.609 57.712 56.048 0.091 0.000 1.342 62 H CB -0.181 29.610 29.762 0.048 0.000 1.395 62 H HN 0.626 nan 8.280 nan 0.000 0.530 63 H N -1.058 118.114 119.070 0.170 0.000 2.428 63 H HA -0.079 4.477 4.556 -0.000 0.000 0.296 63 H C 2.226 177.712 175.328 0.263 0.000 1.062 63 H CA 0.436 56.610 56.048 0.210 0.000 1.350 63 H CB 0.381 30.314 29.762 0.284 0.000 1.403 63 H HN 0.270 nan 8.280 nan 0.000 0.533 64 L N 1.180 122.609 121.223 0.343 0.000 1.988 64 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 64 L C 2.641 179.435 176.870 -0.127 0.000 1.071 64 L CA 2.335 57.123 54.840 -0.086 0.000 0.744 64 L CB -1.043 40.885 42.059 -0.218 0.000 0.893 64 L HN 0.377 nan 8.230 nan 0.000 0.433 65 T N -2.143 112.360 114.554 -0.084 0.000 2.759 65 T HA -0.265 4.085 4.350 -0.000 0.000 0.269 65 T C 2.096 176.733 174.700 -0.105 0.000 1.042 65 T CA 1.214 63.255 62.100 -0.098 0.000 1.140 65 T CB -0.535 68.287 68.868 -0.077 0.000 0.864 65 T HN 0.310 nan 8.240 nan 0.000 0.455 66 R N 1.148 121.575 120.500 -0.122 0.000 2.080 66 R HA -0.114 4.226 4.340 -0.000 0.000 0.236 66 R C 2.346 178.617 176.300 -0.049 0.000 1.137 66 R CA 2.246 58.282 56.100 -0.107 0.000 0.943 66 R CB -1.203 29.033 30.300 -0.106 0.000 0.846 66 R HN 0.503 nan 8.270 nan 0.000 0.431 67 T N 2.460 117.005 114.554 -0.015 0.000 2.951 67 T HA -0.052 4.297 4.350 -0.000 0.000 0.268 67 T C 1.684 176.347 174.700 -0.062 0.000 1.073 67 T CA 0.412 62.506 62.100 -0.011 0.000 1.134 67 T CB -0.080 68.819 68.868 0.052 0.000 0.884 67 T HN 0.097 nan 8.240 nan 0.000 0.479 68 L N 2.101 123.263 121.223 -0.102 0.000 1.976 68 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 68 L C 2.745 179.566 176.870 -0.082 0.000 1.071 68 L CA 2.477 57.249 54.840 -0.113 0.000 0.746 68 L CB -1.353 40.627 42.059 -0.131 0.000 0.890 68 L HN 0.403 nan 8.230 nan 0.000 0.432 69 S N -0.502 115.153 115.700 -0.076 0.000 2.370 69 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 69 S C 2.024 176.589 174.600 -0.057 0.000 1.033 69 S CA 0.649 58.808 58.200 -0.069 0.000 1.011 69 S CB -0.430 62.732 63.200 -0.063 0.000 0.852 69 S HN 0.374 nan 8.310 nan 0.000 0.457 70 R N 1.273 121.745 120.500 -0.047 0.000 2.080 70 R HA 0.092 4.432 4.340 -0.000 0.000 0.236 70 R C 2.390 178.669 176.300 -0.034 0.000 1.137 70 R CA 1.606 57.685 56.100 -0.034 0.000 0.943 70 R CB -1.144 29.142 30.300 -0.023 0.000 0.846 70 R HN 0.533 nan 8.270 nan 0.000 0.431 71 I N 0.959 121.507 120.570 -0.038 0.000 2.335 71 I HA -0.288 3.882 4.170 -0.000 0.000 0.251 71 I C 2.169 178.263 176.117 -0.038 0.000 1.129 71 I CA 1.075 62.354 61.300 -0.035 0.000 1.402 71 I CB -0.196 37.779 38.000 -0.042 0.000 1.069 71 I HN 0.090 nan 8.210 nan 0.000 0.424 72 L N -0.708 120.486 121.223 -0.049 0.000 2.038 72 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 72 L C 1.860 178.700 176.870 -0.050 0.000 1.151 72 L CA 1.157 55.965 54.840 -0.053 0.000 0.799 72 L CB -0.192 41.825 42.059 -0.069 0.000 0.926 72 L HN 0.160 nan 8.230 nan 0.000 0.457 73 Q N -2.286 117.479 119.800 -0.059 0.000 2.131 73 Q HA -0.005 4.335 4.340 -0.000 0.000 0.142 73 Q C -0.219 175.741 176.000 -0.066 0.000 0.773 73 Q CA 0.339 56.111 55.803 -0.053 0.000 0.580 73 Q CB -0.159 28.549 28.738 -0.049 0.000 0.979 73 Q HN 0.290 nan 8.270 nan 0.000 0.369 74 V N 0.569 120.429 119.914 -0.090 0.000 3.611 74 V HA 0.751 4.871 4.120 -0.000 0.000 0.296 74 V C 0.503 176.543 176.094 -0.091 0.000 1.091 74 V CA 0.097 62.325 62.300 -0.120 0.000 1.103 74 V CB 1.170 32.885 31.823 -0.180 0.000 1.157 74 V HN 0.412 nan 8.190 nan 0.000 0.471 75 S N -0.073 115.571 115.700 -0.094 0.000 2.690 75 S HA 0.368 4.838 4.470 -0.000 0.000 0.291 75 S C 0.532 175.107 174.600 -0.041 0.000 1.138 75 S CA -0.471 57.700 58.200 -0.048 0.000 1.013 75 S CB 1.514 64.702 63.200 -0.020 0.000 1.053 75 S HN 0.776 nan 8.310 nan 0.000 0.539 76 Q N 0.120 119.911 119.800 -0.015 0.000 2.437 76 Q HA -0.011 4.329 4.340 -0.000 0.000 0.210 76 Q C 1.129 177.150 176.000 0.036 0.000 0.972 76 Q CA 0.642 56.443 55.803 -0.004 0.000 0.903 76 Q CB -0.037 28.700 28.738 -0.003 0.000 0.967 76 Q HN 0.535 nan 8.270 nan 0.000 0.486 77 K N 0.279 120.712 120.400 0.054 0.000 2.366 77 K HA -0.014 4.306 4.320 -0.000 0.000 0.198 77 K C 1.687 178.398 176.600 0.185 0.000 1.044 77 K CA 0.527 56.881 56.287 0.112 0.000 0.973 77 K CB 0.123 32.694 32.500 0.119 0.000 0.767 77 K HN 0.212 nan 8.250 nan 0.000 0.475 78 R N 0.288 120.841 120.500 0.088 0.000 2.080 78 R HA 0.162 4.502 4.340 -0.000 0.000 0.222 78 R C 0.834 177.219 176.300 0.141 0.000 1.107 78 R CA 0.380 56.507 56.100 0.045 0.000 0.980 78 R CB 0.049 30.082 30.300 -0.446 0.000 0.879 78 R HN 0.064 nan 8.270 nan 0.000 0.439 79 I N 1.383 121.987 120.570 0.056 0.000 2.379 79 I HA 0.016 4.186 4.170 -0.000 0.000 0.290 79 I C 0.140 176.309 176.117 0.087 0.000 1.063 79 I CA 0.197 61.533 61.300 0.060 0.000 1.351 79 I CB 1.232 39.231 38.000 -0.001 0.000 1.410 79 I HN -0.022 nan 8.210 nan 0.000 0.505 80 S N 5.601 121.363 115.700 0.103 0.000 2.566 80 S HA 0.789 5.258 4.470 -0.000 0.000 0.298 80 S C -0.511 174.113 174.600 0.041 0.000 1.083 80 S CA -0.614 57.631 58.200 0.075 0.000 0.978 80 S CB 1.744 64.992 63.200 0.080 0.000 1.073 80 S HN 0.415 nan 8.310 nan 0.000 0.491 81 V N 0.961 120.892 119.914 0.028 0.000 3.074 81 V HA 0.956 5.076 4.120 -0.000 0.000 0.314 81 V C 0.621 176.718 176.094 0.004 0.000 1.117 81 V CA -0.292 62.016 62.300 0.014 0.000 1.014 81 V CB 1.148 32.982 31.823 0.018 0.000 1.057 81 V HN 0.955 nan 8.190 nan 0.000 0.438 82 A N 1.225 124.044 122.820 -0.003 0.000 2.095 82 A HA 0.807 5.127 4.320 -0.000 0.000 0.212 82 A C 1.100 178.678 177.584 -0.011 0.000 1.162 82 A CA 0.800 52.831 52.037 -0.010 0.000 0.753 82 A CB -0.321 18.672 19.000 -0.010 0.000 0.840 82 A HN 1.958 nan 8.150 nan 0.000 0.468 83 G N -2.096 106.700 108.800 -0.005 0.000 2.646 83 G HA2 0.480 4.440 3.960 -0.000 0.000 0.291 83 G HA3 0.480 4.440 3.960 -0.000 0.000 0.291 83 G C -1.254 173.649 174.900 0.005 0.000 1.445 83 G CA -0.254 44.842 45.100 -0.007 0.000 0.814 83 G HN -0.010 nan 8.290 nan 0.000 0.495 84 T N 2.205 116.765 114.554 0.010 0.000 2.758 84 T HA 0.519 4.869 4.350 -0.000 0.000 0.285 84 T C -0.236 174.480 174.700 0.028 0.000 0.981 84 T CA -0.718 61.397 62.100 0.024 0.000 0.965 84 T CB 1.337 70.222 68.868 0.028 0.000 0.927 84 T HN 0.349 nan 8.240 nan 0.000 0.448 85 K N 2.586 123.007 120.400 0.034 0.000 2.110 85 K HA 0.388 4.708 4.320 -0.000 0.000 0.263 85 K C -0.051 176.581 176.600 0.053 0.000 0.975 85 K CA -0.987 55.327 56.287 0.044 0.000 0.895 85 K CB 0.998 33.518 32.500 0.033 0.000 1.060 85 K HN 0.493 nan 8.250 nan 0.000 0.448 86 D N 1.543 121.978 120.400 0.058 0.000 2.405 86 D HA -0.120 4.519 4.640 -0.000 0.000 0.232 86 D C 1.123 177.446 176.300 0.038 0.000 1.240 86 D CA 0.472 54.486 54.000 0.024 0.000 0.881 86 D CB 0.843 41.622 40.800 -0.035 0.000 1.222 86 D HN 0.481 nan 8.370 nan 0.000 0.482 87 K N 0.868 121.279 120.400 0.018 0.000 2.121 87 K HA -0.016 4.303 4.320 -0.000 0.000 0.203 87 K C 0.836 177.459 176.600 0.038 0.000 1.041 87 K CA 0.026 56.337 56.287 0.041 0.000 0.969 87 K CB 0.235 32.741 32.500 0.009 0.000 0.799 87 K HN 0.166 nan 8.250 nan 0.000 0.456 88 R N 1.480 121.980 120.500 0.000 0.000 3.247 88 R HA 0.194 4.534 4.340 -0.000 0.000 0.212 88 R C -1.288 175.033 176.300 0.036 0.000 1.604 88 R CA 0.106 56.210 56.100 0.008 0.000 1.279 88 R CB -0.060 30.227 30.300 -0.020 0.000 1.277 88 R HN 0.353 nan 8.270 nan 0.000 0.669 89 A N 2.342 125.218 122.820 0.093 0.000 2.410 89 A HA 0.338 4.658 4.320 -0.000 0.000 0.300 89 A C -2.252 175.414 177.584 0.138 0.000 1.077 89 A CA -0.819 51.319 52.037 0.168 0.000 0.610 89 A CB 0.790 19.930 19.000 0.234 0.000 1.371 89 A HN 0.369 nan 8.150 nan 0.000 0.510 90 L N 1.696 123.000 121.223 0.135 0.000 2.324 90 L HA 0.671 5.011 4.340 -0.000 0.000 0.274 90 L C 0.258 177.166 176.870 0.063 0.000 1.012 90 L CA 0.527 55.421 54.840 0.089 0.000 0.859 90 L CB 1.040 43.139 42.059 0.067 0.000 1.224 90 L HN 1.068 nan 8.230 nan 0.000 0.429 91 T N 0.231 114.819 114.554 0.056 0.000 2.918 91 T HA 0.797 5.147 4.350 -0.000 0.000 0.286 91 T C -0.159 174.540 174.700 -0.002 0.000 1.026 91 T CA -0.601 61.511 62.100 0.020 0.000 1.031 91 T CB 1.699 70.587 68.868 0.032 0.000 1.046 91 T HN 0.475 nan 8.240 nan 0.000 0.479 92 T N 2.690 117.228 114.554 -0.028 0.000 2.937 92 T HA 0.598 4.948 4.350 -0.000 0.000 0.297 92 T C -0.903 173.776 174.700 -0.035 0.000 0.991 92 T CA -0.791 61.290 62.100 -0.031 0.000 0.990 92 T CB 1.352 70.197 68.868 -0.038 0.000 0.991 92 T HN 0.923 nan 8.240 nan 0.000 0.440 93 Q N 1.232 121.015 119.800 -0.027 0.000 2.590 93 Q HA 0.653 4.993 4.340 -0.000 0.000 0.295 93 Q C -1.719 174.269 176.000 -0.019 0.000 0.973 93 Q CA -1.490 54.300 55.803 -0.023 0.000 0.768 93 Q CB 1.841 30.569 28.738 -0.018 0.000 1.479 93 Q HN 0.496 nan 8.270 nan 0.000 0.419 94 K N 1.136 121.528 120.400 -0.013 0.000 2.213 94 K HA 0.691 5.011 4.320 -0.000 0.000 0.270 94 K C -0.319 176.278 176.600 -0.004 0.000 1.002 94 K CA -0.655 55.627 56.287 -0.009 0.000 0.868 94 K CB 1.187 33.683 32.500 -0.006 0.000 1.093 94 K HN 0.656 nan 8.250 nan 0.000 0.454 95 I N -1.242 119.327 120.570 -0.001 0.000 2.910 95 I HA 0.597 4.767 4.170 -0.000 0.000 0.310 95 I C -0.782 175.354 176.117 0.032 0.000 1.043 95 I CA -1.062 60.244 61.300 0.010 0.000 1.053 95 I CB 2.414 40.414 38.000 0.000 0.000 1.242 95 I HN 0.736 nan 8.210 nan 0.000 0.452 96 S N 4.049 119.787 115.700 0.062 0.000 2.532 96 S HA 0.785 5.255 4.470 -0.000 0.000 0.299 96 S C -0.772 173.952 174.600 0.205 0.000 1.105 96 S CA -0.657 57.623 58.200 0.133 0.000 1.018 96 S CB 1.360 64.626 63.200 0.110 0.000 1.021 96 S HN 0.609 nan 8.310 nan 0.000 0.483 97 I N 3.471 124.166 120.570 0.208 0.000 2.503 97 I HA 0.375 4.545 4.170 -0.000 0.000 0.282 97 I C -0.524 175.656 176.117 0.105 0.000 1.059 97 I CA -0.914 60.459 61.300 0.121 0.000 1.081 97 I CB 0.985 38.981 38.000 -0.007 0.000 1.210 97 I HN 0.779 nan 8.210 nan 0.000 0.450 98 F N 3.308 123.238 119.950 -0.034 0.000 2.380 98 F HA 0.458 4.984 4.527 -0.000 0.000 0.325 98 F C 0.863 176.539 175.800 -0.206 0.000 1.136 98 F CA -0.442 57.367 58.000 -0.318 0.000 1.171 98 F CB 0.365 38.737 39.000 -1.046 0.000 1.230 98 F HN 0.518 nan 8.300 nan 0.000 0.554 99 D N 1.214 121.578 120.400 -0.060 0.000 2.699 99 D HA -0.169 4.471 4.640 -0.000 0.000 0.239 99 D C -0.863 175.357 176.300 -0.134 0.000 1.136 99 D CA 1.038 54.985 54.000 -0.087 0.000 0.668 99 D CB -0.978 39.768 40.800 -0.089 0.000 1.060 99 D HN 0.755 nan 8.370 nan 0.000 0.429 100 T N 0.827 115.324 114.554 -0.094 0.000 3.031 100 T HA 0.143 4.493 4.350 -0.000 0.000 0.305 100 T C -0.449 174.225 174.700 -0.043 0.000 0.985 100 T CA -0.782 61.268 62.100 -0.083 0.000 1.008 100 T CB 2.289 71.095 68.868 -0.102 0.000 1.005 100 T HN -0.128 nan 8.240 nan 0.000 0.444 101 D N 2.163 122.541 120.400 -0.037 0.000 2.455 101 D HA 0.300 4.940 4.640 -0.000 0.000 0.241 101 D C 1.064 177.352 176.300 -0.019 0.000 1.138 101 D CA -0.214 53.773 54.000 -0.022 0.000 0.877 101 D CB 1.076 41.863 40.800 -0.021 0.000 1.187 101 D HN 0.650 nan 8.370 nan 0.000 0.451 102 A N 2.349 125.162 122.820 -0.011 0.000 2.263 102 A HA -0.066 4.253 4.320 -0.000 0.000 0.205 102 A C 1.714 179.290 177.584 -0.012 0.000 1.226 102 A CA 1.142 53.174 52.037 -0.009 0.000 0.810 102 A CB -0.463 18.535 19.000 -0.003 0.000 0.784 102 A HN 0.466 nan 8.150 nan 0.000 0.486 103 S N -1.394 114.297 115.700 -0.015 0.000 2.483 103 S HA 0.038 4.508 4.470 -0.000 0.000 0.221 103 S C 1.456 176.045 174.600 -0.018 0.000 1.030 103 S CA 0.626 58.817 58.200 -0.015 0.000 0.925 103 S CB -0.022 63.169 63.200 -0.014 0.000 0.795 103 S HN 0.450 nan 8.310 nan 0.000 0.511 104 E N 2.457 122.643 120.200 -0.023 0.000 2.001 104 E HA -0.078 4.271 4.350 -0.000 0.000 0.195 104 E C 2.200 178.786 176.600 -0.024 0.000 1.002 104 E CA 1.551 57.935 56.400 -0.026 0.000 0.819 104 E CB -0.431 29.247 29.700 -0.037 0.000 0.769 104 E HN 0.606 nan 8.360 nan 0.000 0.454 105 I N 0.331 120.885 120.570 -0.027 0.000 2.623 105 I HA -0.242 3.928 4.170 -0.000 0.000 0.261 105 I C 1.804 177.912 176.117 -0.015 0.000 1.204 105 I CA 1.771 63.056 61.300 -0.026 0.000 1.444 105 I CB -1.072 36.910 38.000 -0.029 0.000 1.094 105 I HN 0.244 nan 8.210 nan 0.000 0.451 106 E N 1.426 121.618 120.200 -0.013 0.000 2.204 106 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 106 E C 2.179 178.776 176.600 -0.005 0.000 0.989 106 E CA 0.911 57.304 56.400 -0.011 0.000 0.824 106 E CB 0.109 29.801 29.700 -0.013 0.000 0.756 106 E HN 0.665 nan 8.360 nan 0.000 0.477 107 K N 0.569 120.968 120.400 -0.003 0.000 2.044 107 K HA 0.053 4.372 4.320 -0.000 0.000 0.204 107 K C 1.156 177.772 176.600 0.027 0.000 1.045 107 K CA 0.192 56.482 56.287 0.006 0.000 0.951 107 K CB -0.073 32.427 32.500 -0.001 0.000 0.738 107 K HN 0.140 nan 8.250 nan 0.000 0.443 108 I N 2.077 122.658 120.570 0.018 0.000 2.845 108 I HA -0.138 4.032 4.170 -0.000 0.000 0.296 108 I C -1.052 175.115 176.117 0.084 0.000 1.216 108 I CA 0.355 61.671 61.300 0.026 0.000 1.438 108 I CB 0.262 38.252 38.000 -0.017 0.000 1.342 108 I HN 0.384 nan 8.210 nan 0.000 0.577 109 H N 7.039 126.094 119.070 -0.026 0.000 3.181 109 H HA 0.560 5.116 4.556 -0.000 0.000 0.331 109 H C -1.958 173.368 175.328 -0.005 0.000 0.988 109 H CA -0.625 55.411 56.048 -0.019 0.000 1.449 109 H CB 0.860 30.617 29.762 -0.009 0.000 1.749 109 H HN 0.548 nan 8.280 nan 0.000 0.501 110 L N 3.880 124.861 121.223 -0.402 0.000 2.354 110 L HA 0.466 4.806 4.340 -0.000 0.000 0.269 110 L C 0.102 176.802 176.870 -0.285 0.000 1.005 110 L CA -1.242 53.400 54.840 -0.330 0.000 0.819 110 L CB 2.122 44.105 42.059 -0.128 0.000 1.311 110 L HN 0.502 nan 8.230 nan 0.000 0.423 111 K N 0.885 121.204 120.400 -0.135 0.000 2.355 111 K HA 0.026 4.346 4.320 -0.000 0.000 0.270 111 K C -0.268 176.430 176.600 0.163 0.000 1.003 111 K CA 0.160 56.450 56.287 0.006 0.000 0.957 111 K CB 0.416 32.938 32.500 0.037 0.000 0.939 111 K HN 0.692 nan 8.250 nan 0.000 0.482 112 D N 0.120 120.611 120.400 0.152 0.000 2.978 112 D HA -0.193 4.447 4.640 -0.000 0.000 0.205 112 D C -0.539 175.861 176.300 0.166 0.000 1.093 112 D CA 1.158 55.286 54.000 0.212 0.000 1.006 112 D CB -0.553 40.448 40.800 0.336 0.000 1.116 112 D HN 0.284 nan 8.370 nan 0.000 0.419 113 I N 0.506 121.106 120.570 0.050 0.000 2.569 113 I HA 0.445 4.615 4.170 -0.000 0.000 0.296 113 I C 0.114 176.220 176.117 -0.019 0.000 1.028 113 I CA -0.503 60.747 61.300 -0.084 0.000 1.082 113 I CB 2.128 39.972 38.000 -0.261 0.000 1.264 113 I HN -0.140 nan 8.210 nan 0.000 0.429 114 E N 6.047 126.229 120.200 -0.030 0.000 2.274 114 E HA 0.548 4.898 4.350 -0.000 0.000 0.269 114 E C -1.959 174.627 176.600 -0.024 0.000 0.891 114 E CA -0.477 55.926 56.400 0.005 0.000 0.784 114 E CB 2.266 31.976 29.700 0.016 0.000 1.225 114 E HN 0.439 nan 8.360 nan 0.000 0.412 115 L N 3.710 124.923 121.223 -0.018 0.000 2.342 115 L HA 0.632 4.972 4.340 -0.000 0.000 0.271 115 L C -0.625 176.235 176.870 -0.017 0.000 1.008 115 L CA -0.713 54.109 54.840 -0.029 0.000 0.818 115 L CB 1.731 43.766 42.059 -0.040 0.000 1.296 115 L HN 0.455 nan 8.230 nan 0.000 0.427 116 K N 0.662 121.051 120.400 -0.019 0.000 2.570 116 K HA 0.543 4.863 4.320 -0.000 0.000 0.256 116 K C -1.044 175.549 176.600 -0.012 0.000 0.939 116 K CA -1.006 55.273 56.287 -0.014 0.000 0.833 116 K CB 1.670 34.162 32.500 -0.013 0.000 1.318 116 K HN 0.334 nan 8.250 nan 0.000 0.433 117 V N 1.484 121.393 119.914 -0.009 0.000 2.715 117 V HA 0.224 4.344 4.120 -0.000 0.000 0.299 117 V C 0.572 176.664 176.094 -0.002 0.000 1.054 117 V CA -0.269 62.029 62.300 -0.003 0.000 1.077 117 V CB 0.472 32.294 31.823 -0.001 0.000 0.972 117 V HN 0.913 nan 8.190 nan 0.000 0.484 118 L N 3.532 124.756 121.223 0.002 0.000 2.609 118 L HA 0.676 5.016 4.340 -0.000 0.000 0.230 118 L C 1.177 178.051 176.870 0.005 0.000 1.087 118 L CA 0.758 55.598 54.840 0.001 0.000 0.874 118 L CB 0.203 42.262 42.059 -0.000 0.000 1.114 118 L HN 1.154 nan 8.230 nan 0.000 0.488 119 G N 0.151 108.958 108.800 0.012 0.000 2.339 119 G HA2 0.165 4.125 3.960 -0.000 0.000 0.275 119 G HA3 0.165 4.125 3.960 -0.000 0.000 0.275 119 G C -1.463 173.456 174.900 0.032 0.000 1.323 119 G CA -0.934 44.177 45.100 0.017 0.000 0.927 119 G HN -0.046 nan 8.290 nan 0.000 0.486 120 R N -1.036 119.487 120.500 0.038 0.000 2.888 120 R HA 0.891 5.231 4.340 -0.000 0.000 0.264 120 R C -0.562 175.779 176.300 0.069 0.000 1.045 120 R CA -0.393 55.744 56.100 0.063 0.000 0.962 120 R CB 2.004 32.338 30.300 0.058 0.000 1.210 120 R HN 0.985 nan 8.270 nan 0.000 0.479 121 S N -0.950 114.816 115.700 0.110 0.000 2.611 121 S HA 0.266 4.736 4.470 -0.000 0.000 0.268 121 S C -0.328 174.377 174.600 0.175 0.000 1.156 121 S CA -0.793 57.467 58.200 0.100 0.000 0.817 121 S CB 2.021 65.252 63.200 0.052 0.000 1.122 121 S HN 0.776 nan 8.310 nan 0.000 0.466 122 R N 0.750 121.324 120.500 0.123 0.000 2.175 122 R HA 0.321 4.661 4.340 -0.000 0.000 0.202 122 R C -0.031 176.333 176.300 0.107 0.000 1.018 122 R CA 0.059 56.263 56.100 0.174 0.000 1.029 122 R CB -0.033 30.317 30.300 0.084 0.000 0.959 122 R HN 0.357 nan 8.270 nan 0.000 0.480 123 K N 1.769 122.130 120.400 -0.065 0.000 2.258 123 K HA 0.095 4.415 4.320 -0.000 0.000 0.284 123 K C -0.786 175.512 176.600 -0.504 0.000 1.051 123 K CA 0.007 56.157 56.287 -0.227 0.000 0.923 123 K CB 1.729 34.153 32.500 -0.127 0.000 1.046 123 K HN 0.064 nan 8.250 nan 0.000 0.474 124 S N 1.929 117.126 115.700 -0.837 0.000 2.584 124 S HA 0.125 4.595 4.470 -0.000 0.000 0.270 124 S C -0.137 174.240 174.600 -0.371 0.000 1.346 124 S CA -0.636 56.995 58.200 -0.949 0.000 1.018 124 S CB 0.627 63.336 63.200 -0.818 0.000 0.899 124 S HN 0.264 nan 8.310 nan 0.000 0.542 125 V N 4.735 124.515 119.914 -0.223 0.000 2.372 125 V HA 0.345 4.465 4.120 -0.000 0.000 0.261 125 V C 0.242 176.294 176.094 -0.069 0.000 1.055 125 V CA -0.091 62.146 62.300 -0.105 0.000 0.930 125 V CB 0.124 31.919 31.823 -0.047 0.000 1.031 125 V HN 0.884 nan 8.190 nan 0.000 0.479 126 E N 3.367 123.527 120.200 -0.066 0.000 2.316 126 E HA 0.562 4.912 4.350 -0.000 0.000 0.258 126 E C -0.989 175.594 176.600 -0.029 0.000 0.952 126 E CA -1.287 55.089 56.400 -0.041 0.000 0.818 126 E CB 1.459 31.129 29.700 -0.049 0.000 1.260 126 E HN 0.308 nan 8.360 nan 0.000 0.416 127 L N 1.235 122.445 121.223 -0.021 0.000 2.559 127 L HA 0.082 4.422 4.340 -0.000 0.000 0.282 127 L C 1.388 178.241 176.870 -0.028 0.000 1.232 127 L CA 2.239 57.066 54.840 -0.022 0.000 0.885 127 L CB -0.218 41.829 42.059 -0.020 0.000 1.131 127 L HN 0.909 nan 8.230 nan 0.000 0.498 128 G N 1.937 110.718 108.800 -0.031 0.000 2.217 128 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.246 128 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.246 128 G C 0.553 175.440 174.900 -0.021 0.000 0.990 128 G CA 0.125 45.204 45.100 -0.034 0.000 0.627 128 G HN 0.599 nan 8.290 nan 0.000 0.522 129 D N 1.369 121.758 120.400 -0.018 0.000 2.924 129 D HA 0.403 5.043 4.640 -0.000 0.000 0.239 129 D C 1.072 177.377 176.300 0.009 0.000 1.198 129 D CA 1.150 55.144 54.000 -0.010 0.000 0.958 129 D CB -0.613 40.173 40.800 -0.024 0.000 1.169 129 D HN 0.946 nan 8.370 nan 0.000 0.438 130 L N -4.475 116.762 121.223 0.023 0.000 2.775 130 L HA 0.458 4.797 4.340 -0.000 0.000 0.263 130 L C -0.207 176.725 176.870 0.103 0.000 1.017 130 L CA -1.154 53.723 54.840 0.062 0.000 0.891 130 L CB 1.060 43.140 42.059 0.035 0.000 1.482 130 L HN 0.015 nan 8.230 nan 0.000 0.410 131 W N 1.527 122.814 121.300 -0.021 0.000 2.574 131 W HA 0.609 5.268 4.660 -0.000 0.000 0.282 131 W C 0.730 177.243 176.519 -0.010 0.000 1.197 131 W CA 1.720 59.056 57.345 -0.014 0.000 1.376 131 W CB 0.665 30.119 29.460 -0.009 0.000 1.091 131 W HN 1.003 nan 8.180 nan 0.000 0.569 132 G N -0.073 108.816 108.800 0.148 0.000 2.564 132 G HA2 0.206 4.166 3.960 -0.000 0.000 0.139 132 G HA3 0.206 4.166 3.960 -0.000 0.000 0.139 132 G C -1.722 173.274 174.900 0.161 0.000 1.147 132 G CA -0.517 44.566 45.100 -0.028 0.000 1.031 132 G HN 0.131 nan 8.290 nan 0.000 0.482 133 N N 0.066 118.878 118.700 0.187 0.000 2.591 133 N HA 0.492 5.232 4.740 -0.000 0.000 0.263 133 N C -2.264 173.235 175.510 -0.019 0.000 1.308 133 N CA -0.811 52.237 53.050 -0.003 0.000 0.837 133 N CB 2.346 40.647 38.487 -0.309 0.000 1.548 133 N HN 0.385 nan 8.380 nan 0.000 0.493 134 D N 0.676 120.969 120.400 -0.177 0.000 2.274 134 D HA 0.314 4.954 4.640 -0.000 0.000 0.239 134 D C -0.823 175.217 176.300 -0.432 0.000 1.104 134 D CA 0.160 54.066 54.000 -0.156 0.000 0.840 134 D CB 0.937 41.666 40.800 -0.119 0.000 1.100 134 D HN 0.236 nan 8.370 nan 0.000 0.477 135 F N 1.274 121.022 119.950 -0.338 0.000 2.450 135 F HA 0.393 4.920 4.527 -0.000 0.000 0.332 135 F C 0.917 176.388 175.800 -0.550 0.000 1.093 135 F CA -0.878 56.806 58.000 -0.527 0.000 1.003 135 F CB 1.614 40.065 39.000 -0.915 0.000 1.151 135 F HN 0.113 nan 8.300 nan 0.000 0.474 136 R N 4.871 125.197 120.500 -0.290 0.000 2.797 136 R HA 0.490 4.830 4.340 -0.000 0.000 0.274 136 R C -1.794 174.342 176.300 -0.274 0.000 1.652 136 R CA -0.344 55.612 56.100 -0.239 0.000 1.175 136 R CB 0.616 30.819 30.300 -0.162 0.000 1.283 136 R HN 0.795 nan 8.270 nan 0.000 0.513 137 I N 0.065 120.448 120.570 -0.311 0.000 2.493 137 I HA 0.589 4.759 4.170 -0.000 0.000 0.298 137 I C -0.874 175.164 176.117 -0.132 0.000 0.998 137 I CA -0.478 60.616 61.300 -0.342 0.000 1.137 137 I CB 2.565 40.231 38.000 -0.556 0.000 1.310 137 I HN 0.260 nan 8.210 nan 0.000 0.445 138 T N 6.006 120.523 114.554 -0.061 0.000 2.743 138 T HA 0.388 4.738 4.350 -0.000 0.000 0.292 138 T C -0.215 174.507 174.700 0.037 0.000 0.972 138 T CA -0.334 61.765 62.100 -0.003 0.000 0.967 138 T CB 1.103 69.980 68.868 0.014 0.000 0.926 138 T HN 0.414 nan 8.240 nan 0.000 0.459 139 V N 6.077 126.010 119.914 0.033 0.000 2.385 139 V HA 0.382 4.502 4.120 -0.000 0.000 0.269 139 V C 0.650 176.771 176.094 0.044 0.000 1.043 139 V CA -0.513 61.818 62.300 0.052 0.000 0.906 139 V CB 0.531 32.380 31.823 0.043 0.000 0.995 139 V HN 0.707 nan 8.190 nan 0.000 0.467 140 R N 3.223 123.754 120.500 0.052 0.000 2.797 140 R HA 0.459 4.799 4.340 -0.000 0.000 0.251 140 R C 0.334 176.658 176.300 0.040 0.000 1.107 140 R CA -0.936 55.190 56.100 0.043 0.000 1.084 140 R CB 0.427 30.755 30.300 0.045 0.000 1.205 140 R HN 0.695 nan 8.270 nan 0.000 0.515 141 N N 0.439 119.159 118.700 0.033 0.000 2.746 141 N HA -0.141 4.599 4.740 -0.000 0.000 0.250 141 N C -1.292 174.235 175.510 0.028 0.000 1.055 141 N CA 0.245 53.312 53.050 0.030 0.000 0.699 141 N CB -0.534 37.973 38.487 0.033 0.000 0.919 141 N HN 0.356 nan 8.380 nan 0.000 0.548 142 I N 1.153 121.738 120.570 0.025 0.000 2.301 142 I HA 0.073 4.242 4.170 -0.000 0.000 0.292 142 I C 1.684 177.811 176.117 0.016 0.000 1.046 142 I CA -0.084 61.228 61.300 0.021 0.000 1.282 142 I CB 1.315 39.326 38.000 0.018 0.000 1.409 142 I HN 0.259 nan 8.210 nan 0.000 0.484 143 E N 4.914 125.123 120.200 0.015 0.000 2.171 143 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 143 E C 0.684 177.289 176.600 0.008 0.000 0.997 143 E CA 1.294 57.702 56.400 0.012 0.000 0.810 143 E CB 0.111 29.817 29.700 0.011 0.000 0.738 143 E HN 0.657 nan 8.360 nan 0.000 0.467 144 N N -0.798 117.906 118.700 0.006 0.000 2.290 144 N HA 0.134 4.874 4.740 -0.000 0.000 0.269 144 N C -0.238 175.275 175.510 0.005 0.000 1.295 144 N CA 0.181 53.233 53.050 0.003 0.000 0.932 144 N CB 0.441 38.926 38.487 -0.003 0.000 1.128 144 N HN 0.026 nan 8.380 nan 0.000 0.532 145 S N -0.549 115.153 115.700 0.003 0.000 2.718 145 S HA 0.345 4.815 4.470 -0.000 0.000 0.300 145 S C -2.038 172.565 174.600 0.007 0.000 1.117 145 S CA -1.317 56.887 58.200 0.006 0.000 1.002 145 S CB 2.020 65.224 63.200 0.006 0.000 1.092 145 S HN 0.370 nan 8.310 nan 0.000 0.542 146 P HA -0.074 nan 4.420 nan 0.000 0.223 146 P C 0.460 177.769 177.300 0.015 0.000 1.144 146 P CA 1.179 64.288 63.100 0.016 0.000 0.783 146 P CB 0.114 31.826 31.700 0.020 0.000 0.771 147 E N 0.764 120.970 120.200 0.010 0.000 2.024 147 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 147 E C 2.145 178.743 176.600 -0.003 0.000 0.974 147 E CA 1.071 57.476 56.400 0.008 0.000 0.810 147 E CB -1.025 28.680 29.700 0.008 0.000 0.775 147 E HN 0.310 nan 8.360 nan 0.000 0.453 148 E N 0.267 120.463 120.200 -0.007 0.000 2.097 148 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 148 E C 2.007 178.588 176.600 -0.030 0.000 1.000 148 E CA 1.734 58.124 56.400 -0.017 0.000 0.804 148 E CB -0.254 29.439 29.700 -0.012 0.000 0.740 148 E HN 0.174 nan 8.360 nan 0.000 0.454 149 T N 1.022 115.561 114.554 -0.024 0.000 2.720 149 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 149 T C 1.642 176.295 174.700 -0.077 0.000 1.037 149 T CA 1.051 63.130 62.100 -0.036 0.000 1.144 149 T CB -0.141 68.719 68.868 -0.014 0.000 0.864 149 T HN 0.115 nan 8.240 nan 0.000 0.444 150 E N 1.013 121.180 120.200 -0.055 0.000 2.049 150 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 150 E C 2.555 179.046 176.600 -0.182 0.000 1.007 150 E CA 1.425 57.775 56.400 -0.084 0.000 0.809 150 E CB -0.539 29.167 29.700 0.010 0.000 0.749 150 E HN 0.477 nan 8.360 nan 0.000 0.450 151 A N 1.302 124.060 122.820 -0.104 0.000 1.859 151 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 151 A C 2.514 180.009 177.584 -0.148 0.000 1.198 151 A CA 1.885 53.861 52.037 -0.102 0.000 0.629 151 A CB -1.082 17.885 19.000 -0.055 0.000 0.830 151 A HN 0.258 nan 8.150 nan 0.000 0.446 152 L N -0.715 120.434 121.223 -0.123 0.000 1.978 152 L HA -0.272 4.068 4.340 -0.000 0.000 0.218 152 L C 2.681 179.455 176.870 -0.160 0.000 1.075 152 L CA 1.738 56.511 54.840 -0.110 0.000 0.767 152 L CB -0.721 41.297 42.059 -0.068 0.000 0.890 152 L HN 0.416 nan 8.230 nan 0.000 0.434 153 L N -0.344 120.721 121.223 -0.262 0.000 2.081 153 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 153 L C 2.725 179.150 176.870 -0.743 0.000 1.080 153 L CA 1.617 56.193 54.840 -0.440 0.000 0.754 153 L CB -0.528 41.093 42.059 -0.729 0.000 0.893 153 L HN 0.319 nan 8.230 nan 0.000 0.433 154 K N -0.209 119.699 120.400 -0.820 0.000 2.062 154 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 154 K C 2.342 178.870 176.600 -0.120 0.000 1.051 154 K CA 0.817 56.833 56.287 -0.451 0.000 0.941 154 K CB 0.126 32.513 32.500 -0.188 0.000 0.719 154 K HN -0.040 nan 8.250 nan 0.000 0.440 155 K N 0.550 120.875 120.400 -0.126 0.000 2.025 155 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 155 K C 1.943 178.503 176.600 -0.065 0.000 1.049 155 K CA 1.829 58.076 56.287 -0.068 0.000 0.933 155 K CB -0.458 31.999 32.500 -0.070 0.000 0.714 155 K HN 0.212 nan 8.250 nan 0.000 0.438 156 T N 0.445 114.948 114.554 -0.085 0.000 2.674 156 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 156 T C 1.889 176.534 174.700 -0.091 0.000 1.039 156 T CA 2.007 64.023 62.100 -0.139 0.000 1.150 156 T CB -0.550 68.177 68.868 -0.234 0.000 0.864 156 T HN 0.276 nan 8.240 nan 0.000 0.427 157 T N 2.271 116.870 114.554 0.076 0.000 2.699 157 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 157 T C 1.695 176.463 174.700 0.113 0.000 1.036 157 T CA 1.418 63.635 62.100 0.195 0.000 1.147 157 T CB -0.535 68.595 68.868 0.437 0.000 0.862 157 T HN 0.350 nan 8.240 nan 0.000 0.446 158 D N 1.175 121.625 120.400 0.083 0.000 2.097 158 D HA -0.076 4.564 4.640 -0.000 0.000 0.195 158 D C 2.252 178.563 176.300 0.018 0.000 0.989 158 D CA 1.026 55.061 54.000 0.058 0.000 0.827 158 D CB -0.247 40.579 40.800 0.045 0.000 0.966 158 D HN 0.580 nan 8.370 nan 0.000 0.456 159 E N 0.239 120.431 120.200 -0.014 0.000 2.150 159 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 159 E C 2.355 178.931 176.600 -0.039 0.000 0.985 159 E CA 0.331 56.712 56.400 -0.032 0.000 0.814 159 E CB 0.079 29.747 29.700 -0.054 0.000 0.752 159 E HN 0.331 nan 8.360 nan 0.000 0.466 160 I N 1.023 121.562 120.570 -0.052 0.000 2.202 160 I HA -0.235 3.934 4.170 -0.000 0.000 0.242 160 I C 2.237 178.348 176.117 -0.010 0.000 1.091 160 I CA 0.655 61.922 61.300 -0.056 0.000 1.368 160 I CB -0.129 37.822 38.000 -0.081 0.000 1.058 160 I HN 0.158 nan 8.210 nan 0.000 0.410 161 L N 0.652 121.888 121.223 0.022 0.000 2.131 161 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 161 L C 2.744 179.628 176.870 0.022 0.000 1.092 161 L CA 2.031 56.892 54.840 0.035 0.000 0.759 161 L CB -1.550 40.542 42.059 0.055 0.000 0.903 161 L HN 0.246 nan 8.230 nan 0.000 0.435 162 A N -1.120 121.707 122.820 0.012 0.000 1.968 162 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 162 A C 2.229 179.813 177.584 0.001 0.000 1.169 162 A CA 1.175 53.217 52.037 0.007 0.000 0.638 162 A CB -0.340 18.662 19.000 0.003 0.000 0.812 162 A HN 0.482 nan 8.150 nan 0.000 0.446 163 Q N -1.227 118.568 119.800 -0.008 0.000 2.389 163 Q HA 0.232 4.572 4.340 -0.000 0.000 0.204 163 Q C 0.842 176.840 176.000 -0.005 0.000 0.944 163 Q CA 0.684 56.479 55.803 -0.014 0.000 0.908 163 Q CB -0.003 28.716 28.738 -0.031 0.000 1.002 163 Q HN 0.864 nan 8.270 nan 0.000 0.493 164 G N -0.509 108.294 108.800 0.006 0.000 2.203 164 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.231 164 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.231 164 G C 0.292 175.203 174.900 0.020 0.000 1.058 164 G CA 0.006 45.122 45.100 0.026 0.000 0.781 164 G HN 0.934 nan 8.290 nan 0.000 0.496 165 G N -2.669 106.126 108.800 -0.008 0.000 2.362 165 G HA2 0.495 4.455 3.960 -0.000 0.000 0.517 165 G HA3 0.495 4.455 3.960 -0.000 0.000 0.517 165 G C -0.069 174.778 174.900 -0.087 0.000 1.256 165 G CA 0.346 45.425 45.100 -0.036 0.000 1.027 165 G HN 2.070 nan 8.290 nan 0.000 0.491 166 V N -2.157 117.679 119.914 -0.129 0.000 2.667 166 V HA 0.883 5.003 4.120 -0.000 0.000 0.308 166 V C -2.152 173.782 176.094 -0.266 0.000 1.048 166 V CA -2.018 60.170 62.300 -0.187 0.000 0.928 166 V CB 1.864 33.569 31.823 -0.196 0.000 1.004 166 V HN 0.906 nan 8.190 nan 0.000 0.444 167 P HA -0.032 nan 4.420 nan 0.000 0.262 167 P C -0.273 176.593 177.300 -0.723 0.000 1.182 167 P CA 0.461 63.224 63.100 -0.563 0.000 0.761 167 P CB 0.194 31.438 31.700 -0.759 0.000 0.795 168 N N 3.930 122.379 118.700 -0.419 0.000 3.303 168 N HA 0.091 4.831 4.740 -0.000 0.000 0.304 168 N C -0.371 175.043 175.510 -0.161 0.000 1.302 168 N CA -0.518 52.365 53.050 -0.278 0.000 1.213 168 N CB -0.499 37.892 38.487 -0.160 0.000 1.481 168 N HN 0.323 nan 8.380 nan 0.000 0.546 169 F N -0.801 119.131 119.950 -0.031 0.000 2.497 169 F HA 0.568 5.095 4.527 -0.000 0.000 0.331 169 F C -0.444 175.312 175.800 -0.072 0.000 1.060 169 F CA -1.610 56.397 58.000 0.013 0.000 0.989 169 F CB 0.461 39.550 39.000 0.147 0.000 1.245 169 F HN -0.175 nan 8.300 nan 0.000 0.486 170 F N 1.452 121.631 119.950 0.382 0.000 2.472 170 F HA 0.454 4.980 4.527 -0.000 0.000 0.364 170 F C 1.077 176.978 175.800 0.168 0.000 1.090 170 F CA -0.318 57.761 58.000 0.133 0.000 1.188 170 F CB 0.268 39.225 39.000 -0.072 0.000 1.105 170 F HN 0.704 nan 8.300 nan 0.000 0.536 171 G N 3.073 112.001 108.800 0.214 0.000 2.588 171 G HA2 0.253 4.213 3.960 -0.000 0.000 0.281 171 G HA3 0.253 4.213 3.960 -0.000 0.000 0.281 171 G C 1.187 176.205 174.900 0.197 0.000 1.236 171 G CA -0.546 44.649 45.100 0.157 0.000 0.969 171 G HN 0.724 nan 8.290 nan 0.000 0.504 172 I N -0.955 119.708 120.570 0.156 0.000 2.335 172 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 172 I C 2.196 178.389 176.117 0.127 0.000 1.129 172 I CA 1.895 63.307 61.300 0.187 0.000 1.402 172 I CB -1.590 36.465 38.000 0.091 0.000 1.069 172 I HN 0.750 nan 8.210 nan 0.000 0.424 173 Q N 0.836 120.643 119.800 0.012 0.000 2.291 173 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 173 Q C 1.930 177.855 176.000 -0.126 0.000 0.976 173 Q CA 1.202 56.966 55.803 -0.065 0.000 0.875 173 Q CB -0.614 28.041 28.738 -0.140 0.000 0.927 173 Q HN 0.307 nan 8.270 nan 0.000 0.450 174 R N -0.315 120.060 120.500 -0.208 0.000 2.319 174 R HA 0.118 4.458 4.340 -0.000 0.000 0.204 174 R C -0.239 175.655 176.300 -0.676 0.000 0.954 174 R CA 0.449 56.290 56.100 -0.431 0.000 1.066 174 R CB 0.081 30.090 30.300 -0.485 0.000 0.991 174 R HN 0.345 nan 8.270 nan 0.000 0.486 175 F N -1.806 118.128 119.950 -0.026 0.000 2.838 175 F HA 0.410 4.937 4.527 -0.000 0.000 0.329 175 F C 0.503 176.311 175.800 0.012 0.000 1.116 175 F CA 0.024 58.023 58.000 -0.002 0.000 1.155 175 F CB 1.286 40.237 39.000 -0.082 0.000 1.106 175 F HN 0.001 nan 8.300 nan 0.000 0.538 176 G N 0.724 109.586 108.800 0.103 0.000 2.860 176 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.547 176 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.547 176 G C 0.570 175.474 174.900 0.006 0.000 1.103 176 G CA 0.012 45.139 45.100 0.045 0.000 1.126 176 G HN 0.103 nan 8.290 nan 0.000 0.490 177 S N 0.219 115.919 115.700 -0.000 0.000 2.365 177 S HA -0.243 4.227 4.470 -0.000 0.000 0.225 177 S C 2.972 177.550 174.600 -0.037 0.000 1.039 177 S CA 2.685 60.881 58.200 -0.006 0.000 1.033 177 S CB -0.426 62.772 63.200 -0.005 0.000 0.887 177 S HN 1.837 nan 8.310 nan 0.000 0.447 178 V N 1.285 121.171 119.914 -0.047 0.000 2.250 178 V HA -0.152 3.968 4.120 -0.000 0.000 0.253 178 V C 0.914 176.919 176.094 -0.148 0.000 1.065 178 V CA 1.664 63.923 62.300 -0.068 0.000 1.039 178 V CB -1.009 30.779 31.823 -0.057 0.000 0.647 178 V HN 0.681 nan 8.190 nan 0.000 0.446 179 R N 0.230 120.577 120.500 -0.255 0.000 2.867 179 R HA 0.316 4.656 4.340 -0.000 0.000 0.288 179 R C -3.459 172.478 176.300 -0.604 0.000 1.360 179 R CA -1.374 54.323 56.100 -0.671 0.000 1.042 179 R CB 0.092 29.906 30.300 -0.811 0.000 1.287 179 R HN 0.358 nan 8.270 nan 0.000 0.404 180 P HA 0.010 nan 4.420 nan 0.000 0.252 180 P C 0.256 177.615 177.300 0.098 0.000 1.694 180 P CA -0.042 63.036 63.100 -0.037 0.000 1.163 180 P CB 0.828 32.563 31.700 0.058 0.000 1.934 181 V N 2.771 122.745 119.914 0.101 0.000 3.612 181 V HA -0.069 4.051 4.120 -0.000 0.000 0.268 181 V C 2.005 178.289 176.094 0.317 0.000 1.365 181 V CA 1.213 63.642 62.300 0.216 0.000 1.044 181 V CB -0.455 31.479 31.823 0.185 0.000 0.820 181 V HN 0.222 nan 8.190 nan 0.000 0.444 182 T N 1.260 116.098 114.554 0.473 0.000 2.649 182 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 182 T C 1.460 176.468 174.700 0.512 0.000 1.036 182 T CA 2.880 65.319 62.100 0.564 0.000 1.157 182 T CB -0.539 68.613 68.868 0.474 0.000 0.861 182 T HN 0.980 nan 8.240 nan 0.000 0.445 183 H N 0.482 119.722 119.070 0.282 0.000 2.395 183 H HA 0.207 4.763 4.556 -0.000 0.000 0.299 183 H C 2.246 177.570 175.328 -0.006 0.000 1.070 183 H CA 0.476 56.636 56.048 0.187 0.000 1.356 183 H CB -0.559 29.220 29.762 0.028 0.000 1.401 183 H HN 0.222 nan 8.280 nan 0.000 0.524 184 L N 1.005 121.866 121.223 -0.604 0.000 2.042 184 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 184 L C 2.454 179.151 176.870 -0.288 0.000 1.076 184 L CA 1.089 55.638 54.840 -0.485 0.000 0.749 184 L CB -0.375 41.466 42.059 -0.363 0.000 0.893 184 L HN 0.287 nan 8.230 nan 0.000 0.432 185 V N 0.164 119.978 119.914 -0.167 0.000 2.358 185 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 185 V C 2.699 178.592 176.094 -0.335 0.000 1.047 185 V CA 1.839 63.984 62.300 -0.258 0.000 1.035 185 V CB -1.316 30.267 31.823 -0.400 0.000 0.658 185 V HN 0.545 nan 8.190 nan 0.000 0.452 186 G N -0.167 108.532 108.800 -0.167 0.000 2.446 186 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.217 186 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.217 186 G C 1.638 176.199 174.900 -0.566 0.000 1.168 186 G CA 1.252 46.240 45.100 -0.186 0.000 0.771 186 G HN 0.487 nan 8.290 nan 0.000 0.551 187 K N 0.562 120.460 120.400 -0.836 0.000 2.044 187 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 187 K C 2.841 179.041 176.600 -0.667 0.000 1.049 187 K CA 1.444 57.036 56.287 -1.158 0.000 0.927 187 K CB -0.381 31.649 32.500 -0.783 0.000 0.713 187 K HN 0.222 nan 8.250 nan 0.000 0.443 188 A N 1.561 124.084 122.820 -0.495 0.000 1.851 188 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 188 A C 2.157 179.453 177.584 -0.479 0.000 1.195 188 A CA 1.865 53.663 52.037 -0.399 0.000 0.622 188 A CB -0.759 18.041 19.000 -0.333 0.000 0.831 188 A HN 0.379 nan 8.150 nan 0.000 0.444 189 I N -0.269 119.928 120.570 -0.622 0.000 2.118 189 I HA -0.257 3.913 4.170 -0.000 0.000 0.241 189 I C 2.289 178.081 176.117 -0.542 0.000 1.070 189 I CA 1.534 62.354 61.300 -0.801 0.000 1.327 189 I CB -0.420 37.026 38.000 -0.924 0.000 1.034 189 I HN 0.163 nan 8.210 nan 0.000 0.405 190 V N 0.420 120.022 119.914 -0.520 0.000 2.720 190 V HA -0.253 3.867 4.120 -0.000 0.000 0.256 190 V C 2.190 178.048 176.094 -0.392 0.000 1.082 190 V CA 1.694 63.680 62.300 -0.523 0.000 1.101 190 V CB -0.688 30.684 31.823 -0.752 0.000 0.693 190 V HN 0.440 nan 8.190 nan 0.000 0.479 191 E N -0.381 119.607 120.200 -0.354 0.000 2.230 191 E HA 0.159 4.508 4.350 -0.000 0.000 0.192 191 E C 1.672 178.169 176.600 -0.171 0.000 0.987 191 E CA 0.678 56.938 56.400 -0.233 0.000 0.841 191 E CB 0.235 29.801 29.700 -0.223 0.000 0.783 191 E HN 0.628 nan 8.360 nan 0.000 0.481 192 G N 1.660 110.341 108.800 -0.198 0.000 2.135 192 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.183 192 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.183 192 G C -0.072 174.789 174.900 -0.065 0.000 1.004 192 G CA -0.015 45.027 45.100 -0.096 0.000 0.677 192 G HN 0.155 nan 8.290 nan 0.000 0.512 193 N N 0.211 118.820 118.700 -0.153 0.000 3.114 193 N HA 0.408 5.148 4.740 -0.000 0.000 0.289 193 N C 1.071 176.510 175.510 -0.119 0.000 1.519 193 N CA -0.970 52.015 53.050 -0.109 0.000 1.026 193 N CB -0.285 38.118 38.487 -0.139 0.000 1.306 193 N HN 0.132 nan 8.380 nan 0.000 0.495 194 F N 0.526 120.444 119.950 -0.054 0.000 2.250 194 F HA -0.151 4.376 4.527 -0.000 0.000 0.301 194 F C 2.225 178.006 175.800 -0.033 0.000 1.077 194 F CA 1.193 59.202 58.000 0.015 0.000 1.348 194 F CB 0.342 39.421 39.000 0.132 0.000 1.040 194 F HN 0.480 nan 8.300 nan 0.000 0.509 195 E N 0.681 120.835 120.200 -0.076 0.000 2.023 195 E HA -0.305 4.045 4.350 -0.000 0.000 0.196 195 E C 2.343 178.717 176.600 -0.378 0.000 1.003 195 E CA 1.548 57.533 56.400 -0.692 0.000 0.809 195 E CB -0.200 29.107 29.700 -0.654 0.000 0.755 195 E HN 0.305 nan 8.360 nan 0.000 0.449 196 K N 0.058 120.327 120.400 -0.218 0.000 2.103 196 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 196 K C 2.001 178.540 176.600 -0.101 0.000 1.048 196 K CA 1.102 57.301 56.287 -0.146 0.000 0.930 196 K CB -0.186 32.228 32.500 -0.142 0.000 0.716 196 K HN 0.188 nan 8.250 nan 0.000 0.444 197 A N 1.312 124.069 122.820 -0.104 0.000 1.841 197 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 197 A C 2.401 180.056 177.584 0.119 0.000 1.199 197 A CA 2.234 54.222 52.037 -0.082 0.000 0.621 197 A CB -1.171 17.688 19.000 -0.236 0.000 0.835 197 A HN 0.490 nan 8.150 nan 0.000 0.445 198 A N -1.184 121.794 122.820 0.265 0.000 1.940 198 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 198 A C 2.099 179.731 177.584 0.080 0.000 1.176 198 A CA 1.839 53.937 52.037 0.102 0.000 0.631 198 A CB -0.596 18.460 19.000 0.093 0.000 0.814 198 A HN 0.478 nan 8.150 nan 0.000 0.446 199 L N -0.514 120.751 121.223 0.069 0.000 2.046 199 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 199 L C 2.414 179.337 176.870 0.087 0.000 1.077 199 L CA 1.493 56.387 54.840 0.089 0.000 0.747 199 L CB -0.725 41.355 42.059 0.035 0.000 0.896 199 L HN 0.412 nan 8.230 nan 0.000 0.432 200 L N -2.619 118.639 121.223 0.058 0.000 2.027 200 L HA -0.272 4.068 4.340 -0.000 0.000 0.206 200 L C 2.434 179.384 176.870 0.132 0.000 1.074 200 L CA 1.383 56.263 54.840 0.066 0.000 0.745 200 L CB -0.719 41.350 42.059 0.017 0.000 0.898 200 L HN 0.238 nan 8.230 nan 0.000 0.433 201 Y N 0.365 120.670 120.300 0.008 0.000 2.181 201 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 201 Y C 2.289 178.238 175.900 0.082 0.000 1.146 201 Y CA 1.410 59.531 58.100 0.034 0.000 1.164 201 Y CB -0.066 38.363 38.460 -0.051 0.000 0.982 201 Y HN 0.035 nan 8.280 nan 0.000 0.515 202 I N -0.609 120.028 120.570 0.111 0.000 2.162 202 I HA -0.267 3.903 4.170 -0.000 0.000 0.238 202 I C 2.571 178.793 176.117 0.175 0.000 1.076 202 I CA 1.142 62.511 61.300 0.115 0.000 1.353 202 I CB -0.766 37.300 38.000 0.110 0.000 1.063 202 I HN 0.259 nan 8.210 nan 0.000 0.408 203 A N 0.906 123.830 122.820 0.173 0.000 1.824 203 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 203 A C 0.845 178.491 177.584 0.102 0.000 1.244 203 A CA 1.034 53.174 52.037 0.172 0.000 0.604 203 A CB -0.969 18.117 19.000 0.143 0.000 0.900 203 A HN 0.610 nan 8.150 nan 0.000 0.455 204 E N -0.376 119.887 120.200 0.106 0.000 2.173 204 E HA -0.150 4.200 4.350 -0.000 0.000 0.160 204 E C -2.297 174.433 176.600 0.217 0.000 1.581 204 E CA 0.481 56.997 56.400 0.193 0.000 0.618 204 E CB -1.766 28.124 29.700 0.317 0.000 1.049 204 E HN 0.460 nan 8.360 nan 0.000 0.311 205 P HA 0.183 nan 4.420 nan 0.000 0.286 205 P C -0.891 176.340 177.300 -0.116 0.000 1.321 205 P CA -0.048 63.054 63.100 0.005 0.000 0.790 205 P CB 0.208 31.884 31.700 -0.039 0.000 0.897 206 F N 5.791 125.726 119.950 -0.025 0.000 2.492 206 F HA 0.351 4.878 4.527 -0.000 0.000 0.327 206 F C -0.712 175.081 175.800 -0.012 0.000 1.079 206 F CA -2.167 55.826 58.000 -0.013 0.000 0.967 206 F CB 1.861 40.859 39.000 -0.005 0.000 1.169 206 F HN 0.194 nan 8.300 nan 0.000 0.472 207 P HA -0.224 nan 4.420 nan 0.000 0.215 207 P C 0.773 178.125 177.300 0.087 0.000 1.157 207 P CA 1.863 65.012 63.100 0.081 0.000 0.874 207 P CB 0.310 32.049 31.700 0.065 0.000 0.790 208 E N 0.243 120.511 120.200 0.115 0.000 2.333 208 E HA -0.061 4.289 4.350 -0.000 0.000 0.198 208 E C 0.792 177.424 176.600 0.053 0.000 1.007 208 E CA 0.583 57.027 56.400 0.073 0.000 0.845 208 E CB -0.402 29.338 29.700 0.066 0.000 0.766 208 E HN 0.565 nan 8.360 nan 0.000 0.507 209 E N 2.064 122.307 120.200 0.072 0.000 2.373 209 E HA 0.122 4.471 4.350 -0.000 0.000 0.263 209 E C -2.173 174.438 176.600 0.020 0.000 1.073 209 E CA -1.856 54.567 56.400 0.038 0.000 0.894 209 E CB 0.437 30.168 29.700 0.051 0.000 1.008 209 E HN 0.001 nan 8.360 nan 0.000 0.420 210 P HA -0.062 nan 4.420 nan 0.000 0.269 210 P C 0.108 177.403 177.300 -0.008 0.000 1.209 210 P CA 0.166 63.262 63.100 -0.006 0.000 0.776 210 P CB 0.769 32.459 31.700 -0.016 0.000 0.876 211 E N 2.296 122.494 120.200 -0.003 0.000 2.153 211 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 211 E C 1.544 178.138 176.600 -0.010 0.000 0.988 211 E CA 1.457 57.855 56.400 -0.002 0.000 0.811 211 E CB -0.176 29.525 29.700 0.002 0.000 0.746 211 E HN 0.636 nan 8.360 nan 0.000 0.466 212 E N 0.402 120.592 120.200 -0.016 0.000 2.130 212 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 212 E C 1.681 178.253 176.600 -0.046 0.000 0.998 212 E CA 1.651 58.036 56.400 -0.025 0.000 0.806 212 E CB -0.222 29.462 29.700 -0.026 0.000 0.738 212 E HN 0.115 nan 8.360 nan 0.000 0.459 213 T N 0.020 114.536 114.554 -0.063 0.000 3.015 213 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 213 T C 1.529 176.168 174.700 -0.101 0.000 1.057 213 T CA 0.070 62.097 62.100 -0.122 0.000 1.066 213 T CB 0.197 68.980 68.868 -0.142 0.000 0.959 213 T HN 0.040 nan 8.240 nan 0.000 0.488 214 K N 2.083 122.458 120.400 -0.042 0.000 2.147 214 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 214 K C 2.038 178.640 176.600 0.003 0.000 1.049 214 K CA 1.646 57.925 56.287 -0.014 0.000 0.936 214 K CB -0.054 32.447 32.500 0.002 0.000 0.722 214 K HN 0.615 nan 8.250 nan 0.000 0.446 215 N N -0.857 117.851 118.700 0.014 0.000 2.368 215 N HA -0.023 4.717 4.740 -0.000 0.000 0.176 215 N C 1.895 177.471 175.510 0.110 0.000 1.021 215 N CA 0.615 53.702 53.050 0.062 0.000 0.888 215 N CB -0.149 38.374 38.487 0.060 0.000 0.995 215 N HN 0.033 nan 8.380 nan 0.000 0.437 216 A N 1.912 124.760 122.820 0.047 0.000 1.883 216 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 216 A C 2.346 180.063 177.584 0.223 0.000 1.186 216 A CA 1.253 53.346 52.037 0.093 0.000 0.624 216 A CB -0.638 18.323 19.000 -0.065 0.000 0.822 216 A HN 0.292 nan 8.150 nan 0.000 0.444 217 R N -1.292 119.213 120.500 0.008 0.000 2.081 217 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 217 R C 2.510 178.930 176.300 0.200 0.000 1.131 217 R CA 1.275 57.438 56.100 0.106 0.000 0.960 217 R CB -0.301 29.981 30.300 -0.030 0.000 0.856 217 R HN 0.501 nan 8.270 nan 0.000 0.436 218 Q N 0.060 119.942 119.800 0.137 0.000 2.124 218 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 218 Q C 1.756 177.846 176.000 0.151 0.000 0.977 218 Q CA 1.359 57.229 55.803 0.111 0.000 0.850 218 Q CB -0.125 28.654 28.738 0.070 0.000 0.901 218 Q HN 0.275 nan 8.270 nan 0.000 0.429 219 F N -0.135 119.865 119.950 0.083 0.000 2.365 219 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 219 F C 1.832 177.685 175.800 0.088 0.000 1.090 219 F CA 0.750 58.797 58.000 0.077 0.000 1.408 219 F CB 0.344 39.396 39.000 0.088 0.000 1.060 219 F HN -0.143 nan 8.300 nan 0.000 0.534 220 V N -0.581 119.534 119.914 0.336 0.000 3.125 220 V HA -0.094 4.026 4.120 -0.000 0.000 0.249 220 V C 2.192 178.377 176.094 0.152 0.000 1.113 220 V CA 1.032 63.489 62.300 0.262 0.000 1.106 220 V CB -0.229 31.804 31.823 0.350 0.000 0.768 220 V HN 0.170 nan 8.190 nan 0.000 0.468 221 K N 0.474 120.951 120.400 0.129 0.000 2.211 221 K HA -0.184 4.136 4.320 -0.000 0.000 0.203 221 K C 1.310 177.912 176.600 0.003 0.000 1.050 221 K CA 1.882 58.213 56.287 0.072 0.000 0.945 221 K CB 0.096 32.628 32.500 0.052 0.000 0.732 221 K HN 0.555 nan 8.250 nan 0.000 0.451 222 D N -1.205 119.169 120.400 -0.043 0.000 2.468 222 D HA -0.085 4.555 4.640 -0.000 0.000 0.243 222 D C 1.792 178.018 176.300 -0.124 0.000 0.994 222 D CA 1.577 55.522 54.000 -0.093 0.000 0.932 222 D CB -0.023 40.698 40.800 -0.131 0.000 1.078 222 D HN 0.257 nan 8.370 nan 0.000 0.473 223 T N -1.097 113.348 114.554 -0.182 0.000 3.023 223 T HA 0.032 4.382 4.350 -0.000 0.000 0.266 223 T C 0.906 175.512 174.700 -0.156 0.000 1.093 223 T CA 0.043 62.029 62.100 -0.190 0.000 1.129 223 T CB -0.099 68.596 68.868 -0.288 0.000 0.899 223 T HN 0.046 nan 8.240 nan 0.000 0.491 224 L N 1.083 122.231 121.223 -0.126 0.000 3.717 224 L HA -0.105 4.235 4.340 -0.000 0.000 0.411 224 L C -0.129 176.508 176.870 -0.389 0.000 1.233 224 L CA 0.423 55.122 54.840 -0.235 0.000 0.917 224 L CB -2.234 39.648 42.059 -0.294 0.000 1.902 224 L HN 0.375 nan 8.230 nan 0.000 0.894 225 D N -0.500 119.831 120.400 -0.114 0.000 2.517 225 D HA 0.193 4.833 4.640 -0.000 0.000 0.220 225 D C 1.278 177.631 176.300 0.089 0.000 1.158 225 D CA -0.110 53.874 54.000 -0.028 0.000 0.992 225 D CB -0.136 40.760 40.800 0.159 0.000 1.058 225 D HN 0.337 nan 8.370 nan 0.000 0.516 226 F N 1.259 121.210 119.950 0.002 0.000 2.269 226 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 226 F C 2.270 178.027 175.800 -0.072 0.000 1.082 226 F CA 0.203 58.171 58.000 -0.054 0.000 1.360 226 F CB 0.188 39.166 39.000 -0.036 0.000 1.041 226 F HN 0.225 nan 8.300 nan 0.000 0.512 227 K N 1.017 121.499 120.400 0.137 0.000 2.031 227 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 227 K C 1.856 178.475 176.600 0.032 0.000 1.049 227 K CA 1.313 57.639 56.287 0.065 0.000 0.939 227 K CB -0.270 32.258 32.500 0.047 0.000 0.717 227 K HN -0.038 nan 8.250 nan 0.000 0.438 228 E N -0.210 120.022 120.200 0.052 0.000 2.077 228 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 228 E C 1.860 178.446 176.600 -0.023 0.000 0.989 228 E CA 1.871 58.280 56.400 0.014 0.000 0.800 228 E CB -0.887 28.862 29.700 0.082 0.000 0.746 228 E HN 0.366 nan 8.360 nan 0.000 0.452 229 G N 0.972 109.756 108.800 -0.028 0.000 2.440 229 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 229 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 229 G C 1.394 176.125 174.900 -0.282 0.000 1.154 229 G CA 0.706 45.649 45.100 -0.262 0.000 0.767 229 G HN 0.346 nan 8.290 nan 0.000 0.552 230 L N 0.434 121.558 121.223 -0.165 0.000 2.549 230 L HA 0.081 4.421 4.340 -0.000 0.000 0.230 230 L C 2.311 179.169 176.870 -0.020 0.000 1.162 230 L CA 1.604 56.393 54.840 -0.085 0.000 0.834 230 L CB -0.403 41.631 42.059 -0.041 0.000 0.947 230 L HN 0.389 nan 8.230 nan 0.000 0.452 231 K N -1.330 119.061 120.400 -0.015 0.000 2.286 231 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 231 K C 2.015 178.630 176.600 0.024 0.000 1.078 231 K CA 1.029 57.316 56.287 -0.001 0.000 0.957 231 K CB 0.214 32.698 32.500 -0.026 0.000 1.018 231 K HN 0.266 nan 8.250 nan 0.000 0.484 232 T N -1.306 113.276 114.554 0.047 0.000 2.809 232 T HA -0.030 4.319 4.350 -0.000 0.000 0.260 232 T C 0.957 175.771 174.700 0.190 0.000 1.039 232 T CA 0.292 62.442 62.100 0.084 0.000 1.141 232 T CB -0.773 68.127 68.868 0.054 0.000 0.869 232 T HN 0.145 nan 8.240 nan 0.000 0.437 233 Y N 4.319 124.613 120.300 -0.009 0.000 2.895 233 Y HA 0.127 4.677 4.550 -0.000 0.000 0.334 233 Y C -1.618 174.279 175.900 -0.005 0.000 1.261 233 Y CA -2.140 55.960 58.100 0.001 0.000 1.560 233 Y CB 0.093 38.561 38.460 0.013 0.000 1.253 233 Y HN 0.264 nan 8.280 nan 0.000 0.582 234 P HA -0.034 nan 4.420 nan 0.000 0.276 234 P C 0.201 177.534 177.300 0.054 0.000 1.244 234 P CA -0.409 62.716 63.100 0.042 0.000 0.801 234 P CB 1.373 33.071 31.700 -0.004 0.000 1.006 235 L N 1.938 123.183 121.223 0.037 0.000 2.633 235 L HA -0.037 4.303 4.340 -0.000 0.000 0.235 235 L C 1.843 178.722 176.870 0.014 0.000 1.163 235 L CA 1.216 56.076 54.840 0.034 0.000 0.859 235 L CB -0.865 41.208 42.059 0.024 0.000 0.973 235 L HN 0.235 nan 8.230 nan 0.000 0.451 236 R N -0.222 120.278 120.500 -0.000 0.000 2.328 236 R HA 0.143 4.483 4.340 -0.000 0.000 0.206 236 R C 0.017 176.292 176.300 -0.042 0.000 0.990 236 R CA 0.290 56.375 56.100 -0.026 0.000 1.085 236 R CB -0.292 29.989 30.300 -0.031 0.000 0.998 236 R HN 0.381 nan 8.270 nan 0.000 0.484 237 L N -0.898 120.320 121.223 -0.008 0.000 3.059 237 L HA 0.290 4.630 4.340 -0.000 0.000 0.298 237 L C 1.498 178.403 176.870 0.058 0.000 1.304 237 L CA -0.414 54.429 54.840 0.006 0.000 0.855 237 L CB 1.167 43.251 42.059 0.042 0.000 1.266 237 L HN 0.046 nan 8.230 nan 0.000 0.572 238 G N -0.701 108.108 108.800 0.015 0.000 2.503 238 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.221 238 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.221 238 G C 1.190 176.207 174.900 0.196 0.000 1.131 238 G CA 1.062 46.209 45.100 0.078 0.000 0.756 238 G HN 0.557 nan 8.290 nan 0.000 0.572 239 H N 0.143 119.289 119.070 0.126 0.000 2.293 239 H HA -0.029 4.527 4.556 -0.000 0.000 0.300 239 H C 2.747 178.182 175.328 0.180 0.000 1.082 239 H CA 1.299 57.460 56.048 0.188 0.000 1.308 239 H CB 0.210 30.155 29.762 0.306 0.000 1.375 239 H HN 0.378 nan 8.280 nan 0.000 0.495 240 E N 0.462 120.832 120.200 0.284 0.000 2.107 240 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 240 E C 2.251 178.920 176.600 0.115 0.000 0.982 240 E CA 0.517 57.034 56.400 0.196 0.000 0.809 240 E CB 0.092 29.919 29.700 0.211 0.000 0.756 240 E HN 0.309 nan 8.360 nan 0.000 0.459 241 R N 0.752 121.331 120.500 0.131 0.000 2.092 241 R HA 0.091 4.431 4.340 -0.000 0.000 0.231 241 R C 1.114 177.426 176.300 0.020 0.000 1.119 241 R CA 0.677 56.807 56.100 0.049 0.000 0.970 241 R CB -0.277 30.071 30.300 0.080 0.000 0.864 241 R HN 0.090 nan 8.270 nan 0.000 0.440 246 H N 0.800 119.811 119.070 -0.099 0.000 2.384 246 H HA 0.254 4.810 4.556 -0.000 0.000 0.300 246 H C 1.683 176.944 175.328 -0.112 0.000 1.057 246 H CA 1.175 57.168 56.048 -0.090 0.000 1.370 246 H CB 0.187 29.895 29.762 -0.091 0.000 1.417 246 H HN -0.082 nan 8.280 nan 0.000 0.527 247 L N 0.455 121.653 121.223 -0.042 0.000 2.362 247 L HA -0.056 4.284 4.340 -0.000 0.000 0.219 247 L C 1.881 178.754 176.870 0.005 0.000 1.134 247 L CA 1.077 55.862 54.840 -0.093 0.000 0.807 247 L CB -0.423 41.433 42.059 -0.340 0.000 0.927 247 L HN 0.476 nan 8.230 nan 0.000 0.447 248 I N -1.598 118.972 120.570 -0.000 0.000 2.339 248 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 248 I C 2.432 178.525 176.117 -0.040 0.000 1.096 248 I CA 0.964 62.291 61.300 0.045 0.000 1.408 248 I CB -0.426 37.599 38.000 0.042 0.000 1.092 248 I HN 0.166 nan 8.210 nan 0.000 0.423 249 A N 0.764 123.519 122.820 -0.109 0.000 2.015 249 A HA -0.079 4.240 4.320 -0.000 0.000 0.219 249 A C 0.474 177.949 177.584 -0.181 0.000 1.163 249 A CA 1.235 53.188 52.037 -0.141 0.000 0.646 249 A CB -0.614 18.283 19.000 -0.172 0.000 0.806 249 A HN 0.526 nan 8.150 nan 0.000 0.448 250 N N 0.383 118.931 118.700 -0.253 0.000 2.746 250 N HA 0.321 5.061 4.740 -0.000 0.000 0.250 250 N C -3.145 172.269 175.510 -0.160 0.000 1.146 250 N CA -1.328 51.584 53.050 -0.230 0.000 0.828 250 N CB 1.390 39.661 38.487 -0.360 0.000 1.158 250 N HN 0.146 nan 8.380 nan 0.000 0.519 251 P HA 0.004 nan 4.420 nan 0.000 0.267 251 P C -0.155 177.058 177.300 -0.144 0.000 1.205 251 P CA 0.577 63.628 63.100 -0.081 0.000 0.765 251 P CB 0.714 32.389 31.700 -0.041 0.000 0.828 252 E N -0.822 119.205 120.200 -0.288 0.000 3.628 252 E HA -0.220 4.130 4.350 -0.000 0.000 0.309 252 E C -0.106 176.211 176.600 -0.471 0.000 0.839 252 E CA 0.768 56.887 56.400 -0.468 0.000 1.123 252 E CB -1.495 28.159 29.700 -0.077 0.000 1.568 252 E HN 0.545 nan 8.360 nan 0.000 0.440 253 D N -0.292 119.891 120.400 -0.361 0.000 2.845 253 D HA 0.097 4.737 4.640 -0.000 0.000 0.235 253 D C 0.603 176.829 176.300 -0.123 0.000 1.158 253 D CA 0.043 53.958 54.000 -0.141 0.000 0.990 253 D CB -0.259 40.555 40.800 0.023 0.000 1.094 253 D HN 0.174 nan 8.370 nan 0.000 0.486 254 Y N 0.289 120.639 120.300 0.083 0.000 2.145 254 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 254 Y C 2.787 178.755 175.900 0.113 0.000 1.145 254 Y CA 1.365 59.539 58.100 0.124 0.000 1.148 254 Y CB -0.818 37.773 38.460 0.218 0.000 0.981 254 Y HN 0.285 nan 8.280 nan 0.000 0.507 255 S N -0.877 114.809 115.700 -0.023 0.000 2.400 255 S HA -0.131 4.339 4.470 -0.000 0.000 0.232 255 S C 2.236 176.755 174.600 -0.136 0.000 1.025 255 S CA 1.172 59.042 58.200 -0.550 0.000 0.993 255 S CB -1.108 61.603 63.200 -0.815 0.000 0.808 255 S HN 0.454 nan 8.310 nan 0.000 0.478 256 G N 1.166 109.896 108.800 -0.117 0.000 2.777 256 G HA2 0.078 4.038 3.960 -0.000 0.000 0.211 256 G HA3 0.078 4.038 3.960 -0.000 0.000 0.211 256 G C 1.486 176.136 174.900 -0.416 0.000 1.149 256 G CA 0.498 45.483 45.100 -0.191 0.000 0.785 256 G HN 0.707 nan 8.290 nan 0.000 0.536 257 S N 0.035 115.555 115.700 -0.301 0.000 2.481 257 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 257 S C 1.776 176.188 174.600 -0.313 0.000 0.996 257 S CA 0.231 58.169 58.200 -0.437 0.000 0.942 257 S CB -0.404 62.648 63.200 -0.247 0.000 0.768 257 S HN 0.232 nan 8.310 nan 0.000 0.520 258 F N 1.486 121.417 119.950 -0.031 0.000 2.416 258 F HA 0.322 4.849 4.527 -0.000 0.000 0.296 258 F C 2.563 178.425 175.800 0.102 0.000 1.099 258 F CA 0.080 58.117 58.000 0.062 0.000 1.427 258 F CB -0.142 38.930 39.000 0.120 0.000 1.079 258 F HN 0.073 nan 8.300 nan 0.000 0.536 259 R N 0.185 120.822 120.500 0.229 0.000 2.249 259 R HA -0.120 4.220 4.340 -0.000 0.000 0.230 259 R C 2.107 178.528 176.300 0.201 0.000 1.121 259 R CA 0.628 56.840 56.100 0.187 0.000 0.997 259 R CB -0.713 29.553 30.300 -0.056 0.000 0.867 259 R HN 0.250 nan 8.270 nan 0.000 0.465 260 V N 0.045 120.003 119.914 0.074 0.000 3.217 260 V HA 0.106 4.226 4.120 -0.000 0.000 0.264 260 V C 0.462 176.631 176.094 0.124 0.000 1.135 260 V CA 0.507 62.851 62.300 0.074 0.000 1.142 260 V CB -0.051 31.778 31.823 0.009 0.000 0.754 260 V HN 0.102 nan 8.190 nan 0.000 0.484 261 L N 2.393 123.733 121.223 0.195 0.000 2.421 261 L HA 0.407 4.747 4.340 -0.000 0.000 0.263 261 L C -1.927 175.039 176.870 0.159 0.000 1.122 261 L CA -1.878 53.032 54.840 0.118 0.000 0.804 261 L CB 0.535 42.661 42.059 0.111 0.000 1.150 261 L HN 0.067 nan 8.230 nan 0.000 0.457 262 P HA 0.020 nan 4.420 nan 0.000 0.271 262 P C -0.332 176.740 177.300 -0.379 0.000 1.218 262 P CA -0.405 62.618 63.100 -0.129 0.000 0.780 262 P CB 0.673 32.334 31.700 -0.066 0.000 0.901 263 Q N 1.761 121.198 119.800 -0.604 0.000 2.325 263 Q HA -0.236 4.104 4.340 -0.000 0.000 0.211 263 Q C 1.679 177.411 176.000 -0.446 0.000 0.988 263 Q CA 1.481 56.757 55.803 -0.879 0.000 0.887 263 Q CB -1.098 27.358 28.738 -0.470 0.000 0.915 263 Q HN 0.648 nan 8.270 nan 0.000 0.440 264 N N 0.733 119.280 118.700 -0.255 0.000 2.022 264 N HA -0.159 4.581 4.740 -0.000 0.000 0.195 264 N C 0.943 176.370 175.510 -0.139 0.000 1.063 264 N CA 0.571 53.530 53.050 -0.152 0.000 0.851 264 N CB -0.054 38.373 38.487 -0.101 0.000 1.050 264 N HN 0.185 nan 8.380 nan 0.000 0.425 265 L N 1.809 122.955 121.223 -0.129 0.000 2.994 265 L HA 0.036 4.376 4.340 -0.000 0.000 0.256 265 L C 0.150 176.915 176.870 -0.175 0.000 1.315 265 L CA 0.346 55.063 54.840 -0.205 0.000 1.143 265 L CB -1.286 40.659 42.059 -0.191 0.000 1.530 265 L HN 0.271 nan 8.230 nan 0.000 0.422 266 Y N -0.361 119.764 120.300 -0.292 0.000 2.222 266 Y HA 0.233 4.783 4.550 -0.000 0.000 0.290 266 Y C 1.911 177.604 175.900 -0.345 0.000 1.123 266 Y CA 0.351 58.285 58.100 -0.275 0.000 1.120 266 Y CB -0.170 38.201 38.460 -0.148 0.000 1.060 266 Y HN 0.301 nan 8.280 nan 0.000 0.508 270 V N 1.790 121.821 119.914 0.195 0.000 2.295 270 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 270 V C 2.418 178.680 176.094 0.280 0.000 1.049 270 V CA 2.671 65.123 62.300 0.254 0.000 1.024 270 V CB -0.876 31.075 31.823 0.213 0.000 0.648 270 V HN 0.545 nan 8.190 nan 0.000 0.447 271 H N 0.922 120.037 119.070 0.076 0.000 2.387 271 H HA -0.146 4.409 4.556 -0.000 0.000 0.299 271 H C 2.263 177.575 175.328 -0.026 0.000 1.099 271 H CA 2.050 58.085 56.048 -0.021 0.000 1.315 271 H CB -0.413 29.287 29.762 -0.103 0.000 1.380 271 H HN 0.416 nan 8.280 nan 0.000 0.513 272 G N -0.154 108.744 108.800 0.163 0.000 2.418 272 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 272 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 272 G C 1.674 176.820 174.900 0.411 0.000 1.158 272 G CA 0.832 46.079 45.100 0.245 0.000 0.771 272 G HN 0.492 nan 8.290 nan 0.000 0.545 273 Y N 1.412 121.859 120.300 0.245 0.000 2.114 273 Y HA -0.162 4.388 4.550 -0.000 0.000 0.284 273 Y C 3.059 179.124 175.900 0.275 0.000 1.143 273 Y CA 2.019 60.293 58.100 0.291 0.000 1.135 273 Y CB -0.676 37.940 38.460 0.260 0.000 0.980 273 Y HN 0.333 nan 8.280 nan 0.000 0.499 274 Q N -0.713 119.128 119.800 0.069 0.000 2.152 274 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 274 Q C 2.385 178.296 176.000 -0.148 0.000 0.985 274 Q CA 2.135 57.845 55.803 -0.156 0.000 0.863 274 Q CB -0.309 28.281 28.738 -0.246 0.000 0.904 274 Q HN 0.385 nan 8.270 nan 0.000 0.422 275 S N -0.086 115.438 115.700 -0.292 0.000 2.382 275 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 275 S C 1.542 176.301 174.600 0.266 0.000 1.027 275 S CA 1.077 59.062 58.200 -0.358 0.000 0.991 275 S CB -0.369 62.183 63.200 -1.080 0.000 0.823 275 S HN 0.434 nan 8.310 nan 0.000 0.469 276 Y N 2.193 122.598 120.300 0.175 0.000 2.114 276 Y HA -0.131 4.419 4.550 -0.000 0.000 0.284 276 Y C 1.915 177.842 175.900 0.045 0.000 1.143 276 Y CA 1.181 59.331 58.100 0.082 0.000 1.135 276 Y CB -0.616 37.908 38.460 0.107 0.000 0.980 276 Y HN 0.159 nan 8.280 nan 0.000 0.499 277 I N -0.800 119.716 120.570 -0.089 0.000 2.163 277 I HA -0.364 3.806 4.170 -0.000 0.000 0.243 277 I C 2.315 178.394 176.117 -0.062 0.000 1.085 277 I CA 1.966 63.153 61.300 -0.189 0.000 1.347 277 I CB -0.680 37.210 38.000 -0.183 0.000 1.044 277 I HN 0.344 nan 8.210 nan 0.000 0.408 278 Y N 1.989 122.265 120.300 -0.041 0.000 2.114 278 Y HA -0.327 4.223 4.550 -0.000 0.000 0.282 278 Y C 2.187 178.136 175.900 0.081 0.000 1.165 278 Y CA 2.150 60.283 58.100 0.055 0.000 1.148 278 Y CB -0.672 37.895 38.460 0.179 0.000 0.972 278 Y HN 0.220 nan 8.280 nan 0.000 0.504 279 N N -0.036 118.790 118.700 0.209 0.000 2.120 279 N HA -0.199 4.540 4.740 -0.000 0.000 0.188 279 N C 1.679 177.117 175.510 -0.120 0.000 1.024 279 N CA 1.295 54.398 53.050 0.088 0.000 0.852 279 N CB -0.090 38.460 38.487 0.105 0.000 1.003 279 N HN 0.292 nan 8.380 nan 0.000 0.424 280 I N 1.759 122.197 120.570 -0.221 0.000 2.099 280 I HA -0.252 3.918 4.170 -0.000 0.000 0.239 280 I C 2.318 178.335 176.117 -0.167 0.000 1.066 280 I CA 1.319 62.474 61.300 -0.241 0.000 1.324 280 I CB -1.167 36.639 38.000 -0.322 0.000 1.037 280 I HN 0.172 nan 8.210 nan 0.000 0.401 281 I N 0.454 120.924 120.570 -0.166 0.000 2.113 281 I HA -0.355 3.815 4.170 -0.000 0.000 0.242 281 I C 2.659 178.678 176.117 -0.163 0.000 1.064 281 I CA 1.424 62.637 61.300 -0.145 0.000 1.320 281 I CB -0.509 37.410 38.000 -0.136 0.000 1.028 281 I HN 0.174 nan 8.210 nan 0.000 0.406 282 L N 0.532 121.607 121.223 -0.247 0.000 1.997 282 L HA -0.306 4.034 4.340 -0.000 0.000 0.216 282 L C 2.729 179.556 176.870 -0.073 0.000 1.074 282 L CA 1.997 56.723 54.840 -0.190 0.000 0.763 282 L CB -1.053 40.892 42.059 -0.189 0.000 0.890 282 L HN 0.391 nan 8.230 nan 0.000 0.434 283 C N -1.015 118.260 119.300 -0.041 0.000 2.413 283 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 283 C C 2.763 177.726 174.990 -0.044 0.000 1.265 283 C CA 0.371 59.373 59.018 -0.026 0.000 1.752 283 C CB -1.022 26.684 27.740 -0.058 0.000 1.998 283 C HN 0.440 nan 8.230 nan 0.000 0.489 284 R N 0.648 121.110 120.500 -0.063 0.000 2.148 284 R HA -0.061 4.279 4.340 -0.000 0.000 0.227 284 R C 2.247 178.521 176.300 -0.044 0.000 1.103 284 R CA 0.829 56.897 56.100 -0.053 0.000 0.983 284 R CB -0.607 29.658 30.300 -0.058 0.000 0.874 284 R HN 0.638 nan 8.270 nan 0.000 0.451 285 R N 0.898 121.367 120.500 -0.052 0.000 2.075 285 R HA 0.045 4.385 4.340 -0.000 0.000 0.226 285 R C 2.132 178.412 176.300 -0.033 0.000 1.114 285 R CA 0.876 56.950 56.100 -0.043 0.000 0.972 285 R CB -0.152 30.115 30.300 -0.055 0.000 0.869 285 R HN 0.090 nan 8.270 nan 0.000 0.437 286 I N 1.000 121.552 120.570 -0.031 0.000 2.614 286 I HA -0.185 3.985 4.170 -0.000 0.000 0.258 286 I C 1.461 177.570 176.117 -0.013 0.000 1.189 286 I CA 1.289 62.578 61.300 -0.019 0.000 1.462 286 I CB -0.097 37.899 38.000 -0.006 0.000 1.092 286 I HN 0.316 nan 8.210 nan 0.000 0.442 287 E N 0.708 120.897 120.200 -0.017 0.000 2.318 287 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 287 E C 2.002 178.594 176.600 -0.014 0.000 0.998 287 E CA 0.623 57.014 56.400 -0.014 0.000 0.859 287 E CB 0.089 29.778 29.700 -0.019 0.000 0.812 287 E HN 0.425 nan 8.360 nan 0.000 0.492 288 A N 0.367 123.177 122.820 -0.017 0.000 2.251 288 A HA 0.316 4.636 4.320 -0.000 0.000 0.209 288 A C 1.784 179.360 177.584 -0.013 0.000 1.187 288 A CA 0.839 52.867 52.037 -0.015 0.000 0.823 288 A CB -0.274 18.716 19.000 -0.017 0.000 0.846 288 A HN 0.326 nan 8.150 nan 0.000 0.486 289 G N -0.128 108.665 108.800 -0.013 0.000 2.363 289 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.238 289 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.238 289 G C 0.365 175.257 174.900 -0.013 0.000 1.062 289 G CA 0.134 45.227 45.100 -0.011 0.000 0.629 289 G HN 0.571 nan 8.290 nan 0.000 0.514 290 I N 4.742 125.303 120.570 -0.014 0.000 2.943 290 I HA 0.094 4.264 4.170 -0.000 0.000 0.296 290 I C -1.066 175.040 176.117 -0.018 0.000 1.220 290 I CA -0.739 60.552 61.300 -0.015 0.000 1.409 290 I CB 0.244 38.234 38.000 -0.017 0.000 1.374 290 I HN 0.131 nan 8.210 nan 0.000 0.545 291 P HA 0.029 nan 4.420 nan 0.000 0.274 291 P C 0.385 177.672 177.300 -0.022 0.000 1.237 291 P CA -0.466 62.623 63.100 -0.019 0.000 0.793 291 P CB 1.086 32.777 31.700 -0.014 0.000 0.977 292 L N 1.458 122.665 121.223 -0.027 0.000 2.291 292 L HA -0.081 4.259 4.340 -0.000 0.000 0.214 292 L C 1.599 178.464 176.870 -0.008 0.000 1.120 292 L CA 1.671 56.494 54.840 -0.028 0.000 0.799 292 L CB -1.761 40.270 42.059 -0.047 0.000 0.925 292 L HN 0.511 nan 8.230 nan 0.000 0.446 293 N N -0.795 117.902 118.700 -0.005 0.000 2.320 293 N HA 0.040 4.780 4.740 -0.000 0.000 0.237 293 N C 0.094 175.600 175.510 -0.005 0.000 1.129 293 N CA -0.031 53.023 53.050 0.006 0.000 0.854 293 N CB 0.275 38.770 38.487 0.012 0.000 1.083 293 N HN -0.034 nan 8.380 nan 0.000 0.504 294 R N 0.112 120.607 120.500 -0.010 0.000 2.750 294 R HA 0.706 5.046 4.340 -0.000 0.000 0.281 294 R C -1.103 175.189 176.300 -0.014 0.000 0.972 294 R CA -0.706 55.387 56.100 -0.012 0.000 0.912 294 R CB 2.138 32.431 30.300 -0.010 0.000 1.187 294 R HN 0.234 nan 8.270 nan 0.000 0.464 295 A N 1.929 124.741 122.820 -0.013 0.000 2.325 295 A HA 0.745 5.065 4.320 -0.000 0.000 0.333 295 A C -0.666 176.913 177.584 -0.008 0.000 1.155 295 A CA -0.514 51.515 52.037 -0.013 0.000 0.814 295 A CB 1.260 20.252 19.000 -0.013 0.000 1.206 295 A HN 0.346 nan 8.150 nan 0.000 0.482 296 V N 0.986 120.896 119.914 -0.007 0.000 3.040 296 V HA 0.294 4.414 4.120 -0.000 0.000 0.312 296 V C 0.025 176.118 176.094 -0.000 0.000 1.115 296 V CA -0.933 61.365 62.300 -0.003 0.000 0.998 296 V CB 1.916 33.736 31.823 -0.004 0.000 1.042 296 V HN 1.023 nan 8.190 nan 0.000 0.433 297 E N 1.724 121.926 120.200 0.003 0.000 2.652 297 E HA 0.209 4.559 4.350 -0.000 0.000 0.255 297 E C 0.961 177.565 176.600 0.008 0.000 0.952 297 E CA 1.111 57.515 56.400 0.006 0.000 0.947 297 E CB 0.178 29.882 29.700 0.007 0.000 0.912 297 E HN 1.200 nan 8.360 nan 0.000 0.489 298 G N 3.928 112.734 108.800 0.010 0.000 2.359 298 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.298 298 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.298 298 G C 0.338 175.243 174.900 0.010 0.000 1.030 298 G CA 0.330 45.438 45.100 0.013 0.000 1.149 298 G HN 0.692 nan 8.290 nan 0.000 0.512 299 D N -0.280 120.119 120.400 -0.001 0.000 2.380 299 D HA 0.130 4.770 4.640 -0.000 0.000 0.212 299 D C 1.450 177.738 176.300 -0.019 0.000 1.021 299 D CA 0.453 54.448 54.000 -0.007 0.000 0.884 299 D CB 0.024 40.816 40.800 -0.014 0.000 1.001 299 D HN 0.819 nan 8.370 nan 0.000 0.506 300 I N 0.920 121.471 120.570 -0.032 0.000 7.989 300 I HA -0.235 3.935 4.170 -0.000 0.000 0.126 300 I C -0.185 175.875 176.117 -0.095 0.000 1.847 300 I CA -0.196 61.069 61.300 -0.059 0.000 2.041 300 I CB -0.877 37.093 38.000 -0.050 0.000 3.747 300 I HN -0.134 nan 8.210 nan 0.000 0.170 301 V N 4.273 124.087 119.914 -0.167 0.000 3.166 301 V HA 0.953 5.073 4.120 -0.000 0.000 0.317 301 V C 0.325 176.153 176.094 -0.443 0.000 1.136 301 V CA -0.118 62.027 62.300 -0.258 0.000 1.035 301 V CB 2.005 33.650 31.823 -0.298 0.000 1.110 301 V HN 1.023 nan 8.190 nan 0.000 0.450 302 C N 0.037 119.064 119.300 -0.455 0.000 3.108 302 C HA 0.954 5.414 4.460 -0.000 0.000 0.321 302 C C -0.605 174.053 174.990 -0.553 0.000 1.357 302 C CA -0.555 58.175 59.018 -0.480 0.000 1.562 302 C CB 1.024 28.700 27.740 -0.107 0.000 2.003 302 C HN 0.872 nan 8.230 nan 0.000 0.460 303 F N -0.078 119.964 119.950 0.154 0.000 2.846 303 F HA 0.716 5.243 4.527 -0.000 0.000 0.388 303 F C 0.773 176.742 175.800 0.280 0.000 1.259 303 F CA -1.060 57.032 58.000 0.152 0.000 1.118 303 F CB 0.427 39.460 39.000 0.054 0.000 1.512 303 F HN 0.497 nan 8.300 nan 0.000 0.502 304 R N 0.595 121.375 120.500 0.466 0.000 2.486 304 R HA 0.270 4.610 4.340 -0.000 0.000 0.286 304 R C -0.328 176.096 176.300 0.207 0.000 0.999 304 R CA -0.762 55.536 56.100 0.329 0.000 0.993 304 R CB 1.095 31.570 30.300 0.292 0.000 1.084 304 R HN 0.617 nan 8.270 nan 0.000 0.487 305 N N 0.906 119.695 118.700 0.147 0.000 2.424 305 N HA -0.049 4.690 4.740 -0.000 0.000 0.257 305 N C 0.001 175.561 175.510 0.083 0.000 1.250 305 N CA -0.467 52.643 53.050 0.100 0.000 0.946 305 N CB 0.828 39.356 38.487 0.069 0.000 1.175 305 N HN 0.449 nan 8.380 nan 0.000 0.477 306 E N 1.459 121.695 120.200 0.060 0.000 2.445 306 E HA -0.014 4.336 4.350 -0.000 0.000 0.204 306 E C 0.430 177.057 176.600 0.045 0.000 1.194 306 E CA 0.338 56.765 56.400 0.045 0.000 0.950 306 E CB -0.210 29.509 29.700 0.032 0.000 0.976 306 E HN 0.353 nan 8.360 nan 0.000 0.519 307 V N -1.496 118.453 119.914 0.060 0.000 3.382 307 V HA 0.219 4.339 4.120 -0.000 0.000 0.296 307 V C 1.232 177.379 176.094 0.089 0.000 1.529 307 V CA 0.205 62.544 62.300 0.064 0.000 1.048 307 V CB 0.692 32.551 31.823 0.061 0.000 0.878 307 V HN 0.305 nan 8.190 nan 0.000 0.442 308 G N 1.301 110.160 108.800 0.098 0.000 2.143 308 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 308 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 308 G C -0.334 174.664 174.900 0.163 0.000 0.991 308 G CA 0.552 45.728 45.100 0.127 0.000 0.689 308 G HN 0.397 nan 8.290 nan 0.000 0.522 309 L N 1.806 123.108 121.223 0.133 0.000 2.307 309 L HA 0.669 5.009 4.340 -0.000 0.000 0.284 309 L C -1.851 175.060 176.870 0.067 0.000 1.023 309 L CA -2.626 52.272 54.840 0.097 0.000 0.810 309 L CB 1.203 43.293 42.059 0.052 0.000 1.231 309 L HN -0.076 nan 8.230 nan 0.000 0.423 310 P HA 0.027 nan 4.420 nan 0.000 0.263 310 P C -1.263 176.010 177.300 -0.044 0.000 1.195 310 P CA 0.066 63.111 63.100 -0.093 0.000 0.762 310 P CB 0.591 31.904 31.700 -0.644 0.000 0.799 311 D N 2.240 122.674 120.400 0.057 0.000 2.446 311 D HA 0.114 4.754 4.640 -0.000 0.000 0.251 311 D C 1.167 177.481 176.300 0.024 0.000 1.137 311 D CA -0.509 53.511 54.000 0.034 0.000 0.890 311 D CB 0.637 41.477 40.800 0.067 0.000 1.071 311 D HN 0.138 nan 8.370 nan 0.000 0.528 312 S N 1.412 117.100 115.700 -0.020 0.000 2.555 312 S HA -0.151 4.319 4.470 -0.000 0.000 0.230 312 S C 1.822 176.401 174.600 -0.034 0.000 0.978 312 S CA 0.908 59.088 58.200 -0.033 0.000 0.934 312 S CB -0.261 62.908 63.200 -0.052 0.000 0.766 312 S HN 0.349 nan 8.310 nan 0.000 0.533 313 S N 0.535 116.224 115.700 -0.020 0.000 2.423 313 S HA 0.115 4.585 4.470 -0.000 0.000 0.231 313 S C 0.448 175.044 174.600 -0.006 0.000 1.014 313 S CA 0.261 58.450 58.200 -0.018 0.000 0.965 313 S CB -0.333 62.862 63.200 -0.009 0.000 0.785 313 S HN 0.368 nan 8.310 nan 0.000 0.495 314 K N 2.372 122.782 120.400 0.016 0.000 2.265 314 K HA 0.562 4.882 4.320 -0.000 0.000 0.267 314 K C -0.117 176.486 176.600 0.005 0.000 0.994 314 K CA -0.093 56.220 56.287 0.043 0.000 0.860 314 K CB 1.847 34.411 32.500 0.107 0.000 1.099 314 K HN 0.489 nan 8.250 nan 0.000 0.448 315 T N -0.987 113.557 114.554 -0.017 0.000 2.838 315 T HA 0.618 4.968 4.350 -0.000 0.000 0.292 315 T C -1.126 173.544 174.700 -0.051 0.000 1.113 315 T CA -0.924 61.114 62.100 -0.103 0.000 1.008 315 T CB 1.790 70.597 68.868 -0.101 0.000 1.259 315 T HN 0.399 nan 8.240 nan 0.000 0.520 316 E N 0.226 120.362 120.200 -0.107 0.000 2.343 316 E HA 0.257 4.607 4.350 -0.000 0.000 0.288 316 E C -1.442 175.141 176.600 -0.028 0.000 0.907 316 E CA -0.589 55.809 56.400 -0.003 0.000 0.792 316 E CB 1.865 31.650 29.700 0.142 0.000 1.275 316 E HN 0.695 nan 8.360 nan 0.000 0.402 317 K N 4.184 124.583 120.400 -0.003 0.000 2.349 317 K HA 0.161 4.481 4.320 -0.000 0.000 0.289 317 K C 0.142 176.750 176.600 0.012 0.000 1.064 317 K CA -0.406 55.879 56.287 -0.004 0.000 0.947 317 K CB 0.654 33.157 32.500 0.006 0.000 1.007 317 K HN 0.370 nan 8.250 nan 0.000 0.478 318 V N 2.534 122.452 119.914 0.006 0.000 2.843 318 V HA 0.280 4.400 4.120 -0.000 0.000 0.305 318 V C -0.016 176.088 176.094 0.017 0.000 1.065 318 V CA 0.133 62.444 62.300 0.018 0.000 1.116 318 V CB 0.973 32.802 31.823 0.010 0.000 0.968 318 V HN 0.935 nan 8.190 nan 0.000 0.487 319 T N 1.163 115.729 114.554 0.021 0.000 2.910 319 T HA 0.476 4.826 4.350 -0.000 0.000 0.287 319 T C 1.172 175.881 174.700 0.014 0.000 1.050 319 T CA -0.035 62.075 62.100 0.017 0.000 1.011 319 T CB 1.153 70.032 68.868 0.018 0.000 1.195 319 T HN 1.360 nan 8.240 nan 0.000 0.540 320 S N -0.183 115.524 115.700 0.012 0.000 2.419 320 S HA -0.231 4.239 4.470 -0.000 0.000 0.235 320 S C 1.672 176.278 174.600 0.009 0.000 1.019 320 S CA 1.493 59.698 58.200 0.009 0.000 0.982 320 S CB -0.861 62.343 63.200 0.008 0.000 0.789 320 S HN 0.939 nan 8.310 nan 0.000 0.490 321 E N 1.616 121.822 120.200 0.011 0.000 2.140 321 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 321 E C 1.833 178.440 176.600 0.011 0.000 0.973 321 E CA 1.236 57.642 56.400 0.010 0.000 0.829 321 E CB -0.753 28.953 29.700 0.010 0.000 0.781 321 E HN 0.676 nan 8.360 nan 0.000 0.466 322 T N -1.279 113.285 114.554 0.017 0.000 3.107 322 T HA 0.126 4.476 4.350 -0.000 0.000 0.249 322 T C 1.739 176.453 174.700 0.022 0.000 1.096 322 T CA 0.346 62.459 62.100 0.022 0.000 1.012 322 T CB 0.415 69.304 68.868 0.035 0.000 0.977 322 T HN 0.098 nan 8.240 nan 0.000 0.527 323 V N 2.890 122.814 119.914 0.015 0.000 2.231 323 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 323 V C 2.146 178.245 176.094 0.009 0.000 1.054 323 V CA 2.647 64.954 62.300 0.011 0.000 1.015 323 V CB -0.999 30.828 31.823 0.007 0.000 0.638 323 V HN 0.644 nan 8.190 nan 0.000 0.444 324 N N 0.215 118.919 118.700 0.006 0.000 2.094 324 N HA -0.086 4.654 4.740 -0.000 0.000 0.191 324 N C 0.996 176.508 175.510 0.003 0.000 1.023 324 N CA 0.924 53.976 53.050 0.003 0.000 0.857 324 N CB -0.331 38.157 38.487 0.001 0.000 1.013 324 N HN 0.692 nan 8.380 nan 0.000 0.426 328 R N 1.818 122.312 120.500 -0.010 0.000 2.073 328 R HA 0.022 4.362 4.340 -0.000 0.000 0.234 328 R C 1.791 178.077 176.300 -0.022 0.000 1.134 328 R CA 1.338 57.430 56.100 -0.014 0.000 0.952 328 R CB -0.195 30.097 30.300 -0.013 0.000 0.850 328 R HN 0.165 nan 8.270 nan 0.000 0.433 329 L N 0.625 121.835 121.223 -0.022 0.000 2.042 329 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 329 L C 2.517 179.341 176.870 -0.078 0.000 1.076 329 L CA 1.195 56.012 54.840 -0.038 0.000 0.749 329 L CB -0.446 41.614 42.059 0.003 0.000 0.893 329 L HN 0.275 nan 8.230 nan 0.000 0.432 330 L N -0.380 120.797 121.223 -0.076 0.000 2.046 330 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 330 L C 2.691 179.526 176.870 -0.058 0.000 1.077 330 L CA 1.139 55.919 54.840 -0.101 0.000 0.747 330 L CB -0.403 41.616 42.059 -0.066 0.000 0.896 330 L HN 0.205 nan 8.230 nan 0.000 0.432 331 K N 0.046 120.427 120.400 -0.032 0.000 2.155 331 K HA -0.017 4.302 4.320 -0.000 0.000 0.203 331 K C 1.857 178.452 176.600 -0.009 0.000 1.052 331 K CA 1.078 57.357 56.287 -0.013 0.000 0.948 331 K CB -0.349 32.146 32.500 -0.008 0.000 0.728 331 K HN 0.337 nan 8.250 nan 0.000 0.448 332 L N 0.108 121.318 121.223 -0.021 0.000 2.599 332 L HA 0.088 4.428 4.340 -0.000 0.000 0.230 332 L C 0.924 177.791 176.870 -0.004 0.000 1.141 332 L CA 0.410 55.243 54.840 -0.011 0.000 0.877 332 L CB -0.427 41.622 42.059 -0.018 0.000 1.009 332 L HN 0.363 nan 8.230 nan 0.000 0.447 333 G N 0.734 109.522 108.800 -0.021 0.000 2.143 333 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.248 333 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.248 333 G C 0.972 175.841 174.900 -0.051 0.000 0.991 333 G CA 0.370 45.479 45.100 0.014 0.000 0.689 333 G HN 0.462 nan 8.290 nan 0.000 0.522 334 R N -0.293 120.118 120.500 -0.148 0.000 2.290 334 R HA 0.573 4.913 4.340 -0.000 0.000 0.197 334 R C 1.027 177.165 176.300 -0.269 0.000 0.913 334 R CA 0.909 56.932 56.100 -0.128 0.000 1.040 334 R CB 0.606 30.873 30.300 -0.055 0.000 0.992 334 R HN 0.734 nan 8.270 nan 0.000 0.500 335 A N 0.741 123.202 122.820 -0.597 0.000 2.556 335 A HA 0.749 5.069 4.320 -0.000 0.000 0.294 335 A C -1.424 175.435 177.584 -1.209 0.000 1.091 335 A CA -0.660 50.997 52.037 -0.633 0.000 0.704 335 A CB 1.166 20.122 19.000 -0.072 0.000 1.300 335 A HN 0.083 nan 8.150 nan 0.000 0.406 336 F N 0.893 120.820 119.950 -0.039 0.000 2.578 336 F HA 0.526 5.053 4.527 -0.000 0.000 0.311 336 F C -0.019 175.727 175.800 -0.089 0.000 1.094 336 F CA -0.934 57.037 58.000 -0.048 0.000 0.923 336 F CB 1.417 40.394 39.000 -0.038 0.000 1.230 336 F HN 0.278 nan 8.300 nan 0.000 0.450 337 I N 2.105 122.727 120.570 0.086 0.000 2.529 337 I HA 0.205 4.375 4.170 -0.000 0.000 0.284 337 I C 0.541 176.684 176.117 0.044 0.000 1.082 337 I CA 0.089 61.403 61.300 0.022 0.000 1.406 337 I CB 1.182 39.187 38.000 0.008 0.000 1.405 337 I HN 0.748 nan 8.210 nan 0.000 0.548 338 T N 3.059 117.620 114.554 0.012 0.000 2.940 338 T HA 0.860 5.210 4.350 -0.000 0.000 0.288 338 T C -0.410 174.312 174.700 0.037 0.000 1.033 338 T CA -0.767 61.352 62.100 0.032 0.000 1.033 338 T CB 2.286 71.152 68.868 -0.004 0.000 1.079 338 T HN 0.708 nan 8.240 nan 0.000 0.496 339 A N 2.396 125.282 122.820 0.109 0.000 2.413 339 A HA 0.900 5.220 4.320 -0.000 0.000 0.307 339 A C -2.841 174.841 177.584 0.163 0.000 1.087 339 A CA -2.203 49.890 52.037 0.094 0.000 0.750 339 A CB 1.321 20.290 19.000 -0.051 0.000 1.296 339 A HN 0.767 nan 8.150 nan 0.000 0.423 340 P HA 0.355 nan 4.420 nan 0.000 0.281 340 P C -1.029 176.322 177.300 0.085 0.000 1.249 340 P CA -0.215 62.889 63.100 0.006 0.000 0.810 340 P CB 1.288 32.940 31.700 -0.079 0.000 1.008 341 L N 4.165 125.355 121.223 -0.057 0.000 2.581 341 L HA 0.363 4.703 4.340 -0.000 0.000 0.241 341 L C -2.226 174.499 176.870 -0.241 0.000 1.265 341 L CA -2.525 52.256 54.840 -0.100 0.000 0.954 341 L CB 0.318 42.297 42.059 -0.133 0.000 1.269 341 L HN 0.221 nan 8.230 nan 0.000 0.475 342 P HA -0.033 nan 4.420 nan 0.000 0.258 342 P C 0.069 176.841 177.300 -0.880 0.000 1.128 342 P CA 0.775 63.662 63.100 -0.355 0.000 0.760 342 P CB 0.436 32.030 31.700 -0.177 0.000 0.715 343 G N 2.168 110.622 108.800 -0.576 0.000 3.166 343 G HA2 0.457 4.417 3.960 -0.000 0.000 0.267 343 G HA3 0.457 4.417 3.960 -0.000 0.000 0.267 343 G C -0.111 174.764 174.900 -0.042 0.000 1.256 343 G CA -0.571 44.205 45.100 -0.540 0.000 0.859 343 G HN 0.444 nan 8.290 nan 0.000 0.590 344 Y N -1.533 118.851 120.300 0.141 0.000 2.503 344 Y HA 0.411 4.961 4.550 -0.000 0.000 0.278 344 Y C 1.009 176.989 175.900 0.134 0.000 1.111 344 Y CA 0.361 58.577 58.100 0.193 0.000 1.270 344 Y CB 0.407 38.978 38.460 0.185 0.000 1.063 344 Y HN 0.244 nan 8.280 nan 0.000 0.548 345 N N 0.683 119.317 118.700 -0.110 0.000 2.723 345 N HA 0.210 4.950 4.740 -0.000 0.000 0.290 345 N C -1.694 173.738 175.510 -0.130 0.000 1.882 345 N CA -0.137 52.910 53.050 -0.006 0.000 0.851 345 N CB 0.590 39.106 38.487 0.049 0.000 1.234 345 N HN 0.098 nan 8.380 nan 0.000 0.491 346 T N -0.109 114.361 114.554 -0.141 0.000 2.823 346 T HA 0.226 4.576 4.350 -0.000 0.000 0.279 346 T C -0.282 174.099 174.700 -0.531 0.000 0.998 346 T CA -0.569 61.303 62.100 -0.379 0.000 0.994 346 T CB 1.721 70.248 68.868 -0.570 0.000 0.960 346 T HN 0.265 nan 8.240 nan 0.000 0.448 347 E N 2.350 122.286 120.200 -0.440 0.000 2.344 347 E HA 0.297 4.647 4.350 -0.000 0.000 0.270 347 E C -1.128 175.155 176.600 -0.528 0.000 1.021 347 E CA -0.194 56.016 56.400 -0.316 0.000 0.887 347 E CB 0.392 29.991 29.700 -0.169 0.000 0.997 347 E HN 0.394 nan 8.360 nan 0.000 0.429 348 F N 1.869 121.812 119.950 -0.012 0.000 2.575 348 F HA 0.561 5.088 4.527 -0.000 0.000 0.330 348 F C 0.588 176.382 175.800 -0.010 0.000 1.056 348 F CA -0.705 57.289 58.000 -0.011 0.000 0.964 348 F CB 1.499 40.496 39.000 -0.006 0.000 1.258 348 F HN 0.535 nan 8.300 nan 0.000 0.484 349 A N 0.806 123.742 122.820 0.193 0.000 2.287 349 A HA 0.697 5.017 4.320 -0.000 0.000 0.273 349 A C -0.138 177.498 177.584 0.087 0.000 1.091 349 A CA -0.233 51.861 52.037 0.096 0.000 0.817 349 A CB 0.337 19.374 19.000 0.062 0.000 1.069 349 A HN 0.696 nan 8.150 nan 0.000 0.492 350 S N -1.202 114.529 115.700 0.052 0.000 2.748 350 S HA 0.764 5.234 4.470 -0.000 0.000 0.299 350 S C 0.932 175.547 174.600 0.024 0.000 1.119 350 S CA 0.190 58.413 58.200 0.038 0.000 0.997 350 S CB 0.970 64.189 63.200 0.031 0.000 1.223 350 S HN 2.230 nan 8.310 nan 0.000 0.541 351 G N 1.124 109.934 108.800 0.016 0.000 2.578 351 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.284 351 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.284 351 G C 0.739 175.643 174.900 0.007 0.000 1.283 351 G CA 0.163 45.268 45.100 0.010 0.000 0.944 351 G HN 0.552 nan 8.290 nan 0.000 0.558 352 I N 2.434 123.005 120.570 0.003 0.000 2.113 352 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 352 I C 0.877 176.994 176.117 -0.000 0.000 1.064 352 I CA 2.872 64.171 61.300 -0.001 0.000 1.320 352 I CB -2.658 35.340 38.000 -0.003 0.000 1.028 352 I HN 0.491 nan 8.210 nan 0.000 0.406 353 P HA -0.110 nan 4.420 nan 0.000 0.218 353 P C 1.732 179.044 177.300 0.021 0.000 1.149 353 P CA 1.918 65.022 63.100 0.007 0.000 0.817 353 P CB -0.268 31.436 31.700 0.007 0.000 0.785 354 G N 0.451 109.267 108.800 0.027 0.000 2.422 354 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 354 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 354 G C 1.595 176.501 174.900 0.010 0.000 1.146 354 G CA 0.444 45.567 45.100 0.039 0.000 0.769 354 G HN 0.289 nan 8.290 nan 0.000 0.547 355 E N -0.085 120.114 120.200 -0.001 0.000 2.072 355 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 355 E C 2.502 179.091 176.600 -0.018 0.000 0.985 355 E CA 0.495 56.887 56.400 -0.014 0.000 0.801 355 E CB -0.122 29.571 29.700 -0.012 0.000 0.750 355 E HN 0.492 nan 8.360 nan 0.000 0.452 356 I N 1.173 121.736 120.570 -0.012 0.000 2.286 356 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 356 I C 2.151 178.258 176.117 -0.017 0.000 1.115 356 I CA 1.146 62.435 61.300 -0.019 0.000 1.392 356 I CB -0.250 37.737 38.000 -0.021 0.000 1.065 356 I HN 0.112 nan 8.210 nan 0.000 0.418 357 E N 0.820 121.024 120.200 0.006 0.000 2.028 357 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 357 E C 1.913 178.493 176.600 -0.033 0.000 0.984 357 E CA 0.983 57.403 56.400 0.033 0.000 0.800 357 E CB -0.120 29.667 29.700 0.145 0.000 0.758 357 E HN 0.458 nan 8.360 nan 0.000 0.448 358 N N 0.585 119.237 118.700 -0.081 0.000 2.166 358 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 358 N C 1.949 177.411 175.510 -0.080 0.000 1.019 358 N CA 1.191 54.159 53.050 -0.137 0.000 0.856 358 N CB -0.528 37.879 38.487 -0.134 0.000 0.993 358 N HN 0.200 nan 8.380 nan 0.000 0.426 359 G N 0.748 109.517 108.800 -0.052 0.000 2.475 359 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 359 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 359 G C 1.642 176.521 174.900 -0.035 0.000 1.125 359 G CA 0.730 45.807 45.100 -0.038 0.000 0.755 359 G HN 0.225 nan 8.290 nan 0.000 0.565 360 V N 0.388 120.279 119.914 -0.039 0.000 2.649 360 V HA 0.070 4.189 4.120 -0.000 0.000 0.248 360 V C 2.764 178.846 176.094 -0.019 0.000 1.054 360 V CA 0.727 63.004 62.300 -0.038 0.000 1.073 360 V CB -0.091 31.699 31.823 -0.055 0.000 0.699 360 V HN 0.327 nan 8.190 nan 0.000 0.463 361 L N -0.454 120.752 121.223 -0.028 0.000 2.141 361 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 361 L C 2.494 179.365 176.870 0.003 0.000 1.094 361 L CA 1.615 56.448 54.840 -0.011 0.000 0.763 361 L CB -0.342 41.669 42.059 -0.080 0.000 0.908 361 L HN 0.296 nan 8.230 nan 0.000 0.437 362 K N -0.520 119.871 120.400 -0.015 0.000 2.166 362 K HA -0.128 4.191 4.320 -0.000 0.000 0.201 362 K C 1.881 178.485 176.600 0.006 0.000 1.052 362 K CA 0.459 56.742 56.287 -0.007 0.000 0.969 362 K CB 0.060 32.548 32.500 -0.020 0.000 0.761 362 K HN 0.190 nan 8.250 nan 0.000 0.459 363 E N 0.981 121.182 120.200 0.003 0.000 2.267 363 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 363 E C 1.252 177.873 176.600 0.035 0.000 0.998 363 E CA 0.913 57.319 56.400 0.009 0.000 0.830 363 E CB 0.181 29.878 29.700 -0.004 0.000 0.751 363 E HN 0.248 nan 8.360 nan 0.000 0.491 364 L N -1.668 119.588 121.223 0.055 0.000 2.781 364 L HA 0.306 4.646 4.340 -0.000 0.000 0.245 364 L C 1.149 178.072 176.870 0.089 0.000 1.118 364 L CA 0.206 55.107 54.840 0.101 0.000 0.918 364 L CB 0.889 43.052 42.059 0.173 0.000 1.246 364 L HN 0.195 nan 8.230 nan 0.000 0.526 365 G N 1.616 110.453 108.800 0.060 0.000 2.246 365 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.273 365 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.273 365 G C 0.147 175.086 174.900 0.067 0.000 1.055 365 G CA 0.129 45.256 45.100 0.045 0.000 0.851 365 G HN 0.078 nan 8.290 nan 0.000 0.500 366 V N -0.031 119.946 119.914 0.104 0.000 2.843 366 V HA 0.471 4.591 4.120 -0.000 0.000 0.305 366 V C 1.052 177.213 176.094 0.112 0.000 1.065 366 V CA 0.703 63.096 62.300 0.156 0.000 1.116 366 V CB 1.747 33.712 31.823 0.238 0.000 0.968 366 V HN 0.456 nan 8.190 nan 0.000 0.487 367 S N 3.102 118.860 115.700 0.096 0.000 2.669 367 S HA 0.390 4.860 4.470 -0.000 0.000 0.315 367 S C 0.672 175.365 174.600 0.156 0.000 1.106 367 S CA -0.655 57.593 58.200 0.080 0.000 1.107 367 S CB 0.851 64.063 63.200 0.020 0.000 0.990 367 S HN 0.566 nan 8.310 nan 0.000 0.471 368 L N 4.175 125.542 121.223 0.240 0.000 2.137 368 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 368 L C 2.011 179.110 176.870 0.381 0.000 1.085 368 L CA 1.831 56.905 54.840 0.390 0.000 0.760 368 L CB -0.614 41.620 42.059 0.291 0.000 0.893 368 L HN 0.566 nan 8.230 nan 0.000 0.434 369 E N -1.016 119.315 120.200 0.218 0.000 2.208 369 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 369 E C 2.276 178.952 176.600 0.125 0.000 0.988 369 E CA 0.869 57.370 56.400 0.169 0.000 0.828 369 E CB -0.718 29.035 29.700 0.088 0.000 0.763 369 E HN 0.411 nan 8.360 nan 0.000 0.478 370 G N -0.159 108.666 108.800 0.041 0.000 2.498 370 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 370 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 370 G C 0.804 175.624 174.900 -0.132 0.000 1.119 370 G CA 0.108 45.145 45.100 -0.104 0.000 0.766 370 G HN 0.220 nan 8.290 nan 0.000 0.552 371 F N 0.125 120.190 119.950 0.191 0.000 2.811 371 F HA 0.212 4.739 4.527 -0.000 0.000 0.301 371 F C 1.365 177.362 175.800 0.328 0.000 1.151 371 F CA -0.052 58.091 58.000 0.239 0.000 1.412 371 F CB 0.363 39.511 39.000 0.247 0.000 1.113 371 F HN 0.039 nan 8.300 nan 0.000 0.579 372 N N 1.533 120.422 118.700 0.316 0.000 3.194 372 N HA 0.142 4.882 4.740 -0.000 0.000 0.271 372 N C -0.766 174.785 175.510 0.068 0.000 1.308 372 N CA -0.219 52.888 53.050 0.096 0.000 1.042 372 N CB -0.024 38.345 38.487 -0.196 0.000 1.310 372 N HN -0.022 nan 8.380 nan 0.000 0.502 373 I N 2.318 122.964 120.570 0.127 0.000 2.664 373 I HA -0.049 4.121 4.170 -0.000 0.000 0.284 373 I C 1.546 177.745 176.117 0.135 0.000 1.154 373 I CA 0.303 61.689 61.300 0.143 0.000 1.402 373 I CB 0.760 38.885 38.000 0.209 0.000 1.395 373 I HN 0.281 nan 8.210 nan 0.000 0.545 374 E N 4.087 124.350 120.200 0.104 0.000 2.122 374 E HA -0.073 4.276 4.350 -0.000 0.000 0.190 374 E C 1.622 178.256 176.600 0.057 0.000 0.977 374 E CA 1.052 57.490 56.400 0.063 0.000 0.820 374 E CB -0.008 29.714 29.700 0.036 0.000 0.770 374 E HN 0.454 nan 8.360 nan 0.000 0.462 375 K N -0.708 119.742 120.400 0.083 0.000 2.211 375 K HA -0.007 4.313 4.320 -0.000 0.000 0.203 375 K C -0.174 176.399 176.600 -0.045 0.000 1.050 375 K CA 0.559 56.832 56.287 -0.023 0.000 0.945 375 K CB 0.238 32.685 32.500 -0.087 0.000 0.732 375 K HN 0.019 nan 8.250 nan 0.000 0.451 376 F N 1.257 121.195 119.950 -0.020 0.000 2.872 376 F HA 0.221 4.748 4.527 -0.000 0.000 0.365 376 F C -2.257 173.567 175.800 0.040 0.000 1.296 376 F CA -2.799 55.186 58.000 -0.025 0.000 1.199 376 F CB 1.332 40.323 39.000 -0.014 0.000 1.687 376 F HN -0.163 nan 8.300 nan 0.000 0.604 377 P HA -0.160 nan 4.420 nan 0.000 0.218 377 P C 0.283 177.739 177.300 0.260 0.000 1.148 377 P CA 1.160 64.385 63.100 0.209 0.000 0.822 377 P CB 0.540 32.310 31.700 0.117 0.000 0.784 381 S N 1.610 117.492 115.700 0.304 0.000 2.478 381 S HA 0.478 4.948 4.470 -0.000 0.000 0.312 381 S C 0.777 175.269 174.600 -0.179 0.000 1.094 381 S CA -0.749 57.509 58.200 0.097 0.000 1.081 381 S CB 1.544 64.783 63.200 0.064 0.000 1.007 381 S HN 0.810 nan 8.310 nan 0.000 0.475 382 K N 3.564 123.727 120.400 -0.395 0.000 2.097 382 K HA 0.137 4.457 4.320 -0.000 0.000 0.205 382 K C 0.822 177.081 176.600 -0.568 0.000 1.050 382 K CA 1.173 56.943 56.287 -0.863 0.000 0.938 382 K CB -0.493 31.729 32.500 -0.464 0.000 0.718 382 K HN 1.058 nan 8.250 nan 0.000 0.442 383 G N -0.088 108.497 108.800 -0.359 0.000 2.663 383 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 383 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 383 G C -0.359 174.387 174.900 -0.256 0.000 1.246 383 G CA -0.372 44.532 45.100 -0.326 0.000 0.795 383 G HN 0.408 nan 8.290 nan 0.000 0.627 384 T N -1.543 112.877 114.554 -0.224 0.000 2.645 384 T HA 0.857 5.207 4.350 -0.000 0.000 0.300 384 T C -0.422 174.178 174.700 -0.167 0.000 1.210 384 T CA -0.992 61.001 62.100 -0.178 0.000 1.034 384 T CB 1.868 70.664 68.868 -0.120 0.000 1.537 384 T HN 0.895 nan 8.240 nan 0.000 0.492 385 R N 0.126 120.551 120.500 -0.126 0.000 2.782 385 R HA 0.818 5.158 4.340 -0.000 0.000 0.258 385 R C -0.394 175.874 176.300 -0.054 0.000 1.055 385 R CA -0.885 55.164 56.100 -0.085 0.000 1.065 385 R CB 1.543 31.790 30.300 -0.088 0.000 1.172 385 R HN 0.936 nan 8.270 nan 0.000 0.510 386 R N 0.594 121.092 120.500 -0.003 0.000 2.594 386 R HA 0.112 4.452 4.340 -0.000 0.000 0.265 386 R C -0.828 175.506 176.300 0.056 0.000 1.070 386 R CA -0.606 55.477 56.100 -0.027 0.000 0.909 386 R CB 1.346 31.549 30.300 -0.161 0.000 1.243 386 R HN 0.646 nan 8.270 nan 0.000 0.455 387 E N 3.528 123.723 120.200 -0.009 0.000 2.442 387 E HA -0.046 4.304 4.350 -0.000 0.000 0.262 387 E C 0.213 176.859 176.600 0.077 0.000 1.004 387 E CA -0.066 56.343 56.400 0.014 0.000 0.928 387 E CB 1.491 31.129 29.700 -0.104 0.000 0.937 387 E HN 0.391 nan 8.360 nan 0.000 0.446 388 V N 3.184 123.145 119.914 0.078 0.000 3.235 388 V HA 0.073 4.193 4.120 -0.000 0.000 0.259 388 V C 0.613 176.690 176.094 -0.029 0.000 1.133 388 V CA 0.658 62.988 62.300 0.049 0.000 1.128 388 V CB -0.114 31.698 31.823 -0.019 0.000 0.757 388 V HN 0.502 nan 8.190 nan 0.000 0.469 389 L N 0.168 121.374 121.223 -0.028 0.000 2.333 389 L HA 0.527 4.867 4.340 -0.000 0.000 0.269 389 L C -0.964 175.851 176.870 -0.092 0.000 1.010 389 L CA -0.865 53.935 54.840 -0.066 0.000 0.818 389 L CB 2.060 44.112 42.059 -0.011 0.000 1.306 389 L HN 0.049 nan 8.230 nan 0.000 0.430 390 L N 2.651 123.806 121.223 -0.113 0.000 2.301 390 L HA 0.368 4.708 4.340 -0.000 0.000 0.278 390 L C -0.070 176.765 176.870 -0.058 0.000 1.022 390 L CA -0.108 54.669 54.840 -0.106 0.000 0.854 390 L CB 0.930 42.912 42.059 -0.127 0.000 1.226 390 L HN 0.436 nan 8.230 nan 0.000 0.429 391 E N 4.258 124.449 120.200 -0.015 0.000 2.351 391 E HA 0.347 4.697 4.350 -0.000 0.000 0.266 391 E C -1.071 175.571 176.600 0.069 0.000 1.031 391 E CA 0.250 56.678 56.400 0.047 0.000 0.911 391 E CB 0.634 30.395 29.700 0.101 0.000 0.986 391 E HN 0.526 nan 8.360 nan 0.000 0.446 392 V N 1.424 121.371 119.914 0.056 0.000 3.087 392 V HA 0.574 4.694 4.120 -0.000 0.000 0.306 392 V C -0.768 175.378 176.094 0.088 0.000 1.187 392 V CA -1.062 61.287 62.300 0.082 0.000 0.999 392 V CB 2.181 33.999 31.823 -0.009 0.000 1.049 392 V HN 0.506 nan 8.190 nan 0.000 0.431 393 K N 3.223 123.702 120.400 0.132 0.000 2.827 393 K HA 0.443 4.763 4.320 -0.000 0.000 0.186 393 K C -2.829 173.866 176.600 0.158 0.000 1.093 393 K CA -1.191 55.169 56.287 0.122 0.000 0.993 393 K CB 1.658 34.216 32.500 0.096 0.000 1.199 393 K HN 0.712 nan 8.250 nan 0.000 0.598 394 P HA 0.097 nan 4.420 nan 0.000 0.274 394 P C -1.156 176.231 177.300 0.145 0.000 1.237 394 P CA -0.492 62.752 63.100 0.241 0.000 0.793 394 P CB 0.752 32.614 31.700 0.270 0.000 0.977 395 K N 1.378 121.822 120.400 0.074 0.000 2.604 395 K HA 0.439 4.759 4.320 -0.000 0.000 0.247 395 K C 0.008 176.531 176.600 -0.128 0.000 0.956 395 K CA -0.757 55.450 56.287 -0.133 0.000 0.896 395 K CB 0.542 32.961 32.500 -0.135 0.000 1.131 395 K HN 0.291 nan 8.250 nan 0.000 0.440 396 F N 0.193 120.149 119.950 0.009 0.000 2.373 396 F HA 0.481 5.008 4.527 -0.000 0.000 0.302 396 F C 0.087 175.877 175.800 -0.017 0.000 1.247 396 F CA -0.661 57.322 58.000 -0.028 0.000 1.169 396 F CB 0.548 39.529 39.000 -0.031 0.000 1.309 396 F HN 0.675 nan 8.300 nan 0.000 0.537 397 E N 0.402 120.750 120.200 0.246 0.000 2.428 397 E HA 0.530 4.880 4.350 -0.000 0.000 0.307 397 E C -1.842 174.839 176.600 0.135 0.000 0.902 397 E CA -0.636 55.846 56.400 0.138 0.000 0.799 397 E CB 1.332 31.055 29.700 0.039 0.000 1.351 397 E HN 1.062 nan 8.360 nan 0.000 0.392 398 A N 2.641 125.548 122.820 0.145 0.000 2.294 398 A HA 1.009 5.329 4.320 -0.000 0.000 0.330 398 A C 0.205 177.824 177.584 0.057 0.000 1.133 398 A CA 0.241 52.330 52.037 0.086 0.000 0.836 398 A CB 1.565 20.611 19.000 0.077 0.000 1.190 398 A HN 0.716 nan 8.150 nan 0.000 0.492 399 G N -0.321 108.502 108.800 0.039 0.000 2.342 399 G HA2 0.485 4.444 3.960 -0.000 0.000 0.297 399 G HA3 0.485 4.444 3.960 -0.000 0.000 0.297 399 G C -1.672 173.242 174.900 0.023 0.000 1.313 399 G CA -0.805 44.313 45.100 0.030 0.000 0.830 399 G HN 0.693 nan 8.290 nan 0.000 0.506 400 E N 1.279 121.491 120.200 0.020 0.000 2.174 400 E HA 0.297 4.647 4.350 -0.000 0.000 0.282 400 E C -0.719 175.892 176.600 0.018 0.000 0.992 400 E CA -0.618 55.793 56.400 0.018 0.000 0.803 400 E CB 1.476 31.186 29.700 0.016 0.000 1.090 400 E HN 0.543 nan 8.360 nan 0.000 0.396 401 D N 3.466 123.878 120.400 0.019 0.000 2.343 401 D HA -0.027 4.613 4.640 -0.000 0.000 0.255 401 D C 0.147 176.458 176.300 0.019 0.000 1.187 401 D CA -0.302 53.711 54.000 0.020 0.000 0.875 401 D CB 1.226 42.040 40.800 0.023 0.000 1.136 401 D HN 0.305 nan 8.370 nan 0.000 0.469 402 E N 2.442 122.653 120.200 0.018 0.000 2.472 402 E HA -0.077 4.273 4.350 -0.000 0.000 0.200 402 E C 1.363 177.973 176.600 0.018 0.000 1.046 402 E CA 0.206 56.617 56.400 0.017 0.000 0.871 402 E CB -0.041 29.669 29.700 0.016 0.000 0.806 402 E HN 0.431 nan 8.360 nan 0.000 0.533 403 L N 0.620 121.856 121.223 0.020 0.000 2.115 403 L HA 0.093 4.433 4.340 -0.000 0.000 0.200 403 L C 0.353 177.235 176.870 0.020 0.000 1.094 403 L CA 0.903 55.756 54.840 0.022 0.000 0.769 403 L CB -0.776 41.299 42.059 0.026 0.000 0.931 403 L HN 0.156 nan 8.230 nan 0.000 0.455 404 N N 2.341 121.054 118.700 0.021 0.000 2.437 404 N HA 0.195 4.935 4.740 -0.000 0.000 0.243 404 N C -2.342 173.179 175.510 0.018 0.000 1.041 404 N CA -1.217 51.845 53.050 0.020 0.000 0.940 404 N CB 0.854 39.354 38.487 0.022 0.000 1.133 404 N HN 0.206 nan 8.380 nan 0.000 0.506 405 P HA 0.066 nan 4.420 nan 0.000 0.268 405 P C 0.895 178.204 177.300 0.014 0.000 1.205 405 P CA 0.572 63.680 63.100 0.014 0.000 0.771 405 P CB 1.075 32.783 31.700 0.013 0.000 0.858 406 G N 2.526 111.333 108.800 0.013 0.000 2.490 406 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.214 406 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.214 406 G C 0.238 175.146 174.900 0.013 0.000 1.151 406 G CA 0.143 45.250 45.100 0.012 0.000 0.684 406 G HN 0.563 nan 8.290 nan 0.000 0.518 407 K N 1.180 121.589 120.400 0.015 0.000 2.488 407 K HA 0.768 5.088 4.320 -0.000 0.000 0.255 407 K C 0.820 177.429 176.600 0.016 0.000 1.036 407 K CA 0.270 56.566 56.287 0.015 0.000 0.990 407 K CB 0.924 33.434 32.500 0.018 0.000 1.304 407 K HN 0.767 nan 8.250 nan 0.000 0.505 408 S N -1.452 114.258 115.700 0.017 0.000 2.740 408 S HA 0.655 5.125 4.470 -0.000 0.000 0.300 408 S C -1.114 173.499 174.600 0.021 0.000 1.147 408 S CA -0.977 57.234 58.200 0.018 0.000 0.871 408 S CB 1.507 64.716 63.200 0.016 0.000 1.173 408 S HN 0.574 nan 8.310 nan 0.000 0.510 409 K N -0.699 119.714 120.400 0.022 0.000 2.331 409 K HA 0.868 5.188 4.320 -0.000 0.000 0.238 409 K C -1.383 175.231 176.600 0.023 0.000 1.058 409 K CA -1.278 55.023 56.287 0.024 0.000 0.871 409 K CB 1.868 34.383 32.500 0.024 0.000 1.292 409 K HN 0.986 nan 8.250 nan 0.000 0.470 410 A N 1.008 123.840 122.820 0.021 0.000 2.442 410 A HA 0.464 4.784 4.320 -0.000 0.000 0.284 410 A C -1.444 176.145 177.584 0.009 0.000 1.058 410 A CA -0.750 51.297 52.037 0.017 0.000 0.738 410 A CB 1.565 20.567 19.000 0.002 0.000 1.242 410 A HN 0.336 nan 8.150 nan 0.000 0.421 411 V N 3.849 123.773 119.914 0.017 0.000 2.370 411 V HA 0.462 4.582 4.120 -0.000 0.000 0.279 411 V C -0.209 175.886 176.094 0.001 0.000 1.029 411 V CA -0.159 62.139 62.300 -0.002 0.000 0.870 411 V CB 1.081 32.902 31.823 -0.004 0.000 0.984 411 V HN 0.761 nan 8.190 nan 0.000 0.451 412 L N 5.231 126.441 121.223 -0.022 0.000 2.346 412 L HA 0.651 4.991 4.340 -0.000 0.000 0.276 412 L C -0.170 176.704 176.870 0.007 0.000 1.006 412 L CA -0.364 54.486 54.840 0.017 0.000 0.817 412 L CB 2.092 44.157 42.059 0.011 0.000 1.272 412 L HN 0.617 nan 8.230 nan 0.000 0.421 413 E N 3.336 123.575 120.200 0.064 0.000 2.266 413 E HA 0.745 5.095 4.350 -0.000 0.000 0.268 413 E C -1.456 175.234 176.600 0.150 0.000 0.879 413 E CA -0.565 55.807 56.400 -0.046 0.000 0.762 413 E CB 2.752 32.423 29.700 -0.048 0.000 1.199 413 E HN 0.393 nan 8.360 nan 0.000 0.422 417 P HA 0.139 nan 4.420 nan 0.000 0.274 417 P C -1.159 175.834 177.300 -0.511 0.000 1.231 417 P CA -0.519 61.959 63.100 -1.036 0.000 0.790 417 P CB 0.703 31.780 31.700 -1.039 0.000 0.951 418 K N 0.687 120.812 120.400 -0.458 0.000 2.561 418 K HA 0.166 4.486 4.320 -0.000 0.000 0.280 418 K C 1.021 177.461 176.600 -0.266 0.000 0.975 418 K CA 0.376 56.498 56.287 -0.275 0.000 1.024 418 K CB -0.998 31.374 32.500 -0.213 0.000 0.883 418 K HN 0.766 nan 8.250 nan 0.000 0.496 419 G N 1.151 109.796 108.800 -0.258 0.000 2.217 419 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.246 419 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.246 419 G C -0.123 174.612 174.900 -0.277 0.000 0.990 419 G CA 0.242 45.200 45.100 -0.236 0.000 0.627 419 G HN 0.690 nan 8.290 nan 0.000 0.522 420 S N -0.483 115.037 115.700 -0.301 0.000 2.690 420 S HA 0.836 5.306 4.470 -0.000 0.000 0.291 420 S C -0.773 173.642 174.600 -0.307 0.000 1.138 420 S CA -0.470 57.621 58.200 -0.183 0.000 1.013 420 S CB 1.295 64.423 63.200 -0.119 0.000 1.053 420 S HN 0.350 nan 8.310 nan 0.000 0.539 421 Y N -0.481 119.804 120.300 -0.026 0.000 2.524 421 Y HA 0.576 5.126 4.550 -0.000 0.000 0.344 421 Y C 0.992 176.863 175.900 -0.047 0.000 1.012 421 Y CA -1.043 57.052 58.100 -0.009 0.000 1.068 421 Y CB 1.091 39.563 38.460 0.020 0.000 1.249 421 Y HN 0.719 nan 8.280 nan 0.000 0.468 422 A N 0.235 123.090 122.820 0.058 0.000 1.930 422 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 422 A C 2.105 179.766 177.584 0.128 0.000 1.175 422 A CA 2.231 54.272 52.037 0.006 0.000 0.627 422 A CB -1.386 17.585 19.000 -0.048 0.000 0.815 422 A HN 0.936 nan 8.150 nan 0.000 0.443 423 T N -2.571 112.086 114.554 0.173 0.000 2.778 423 T HA -0.194 4.155 4.350 -0.000 0.000 0.269 423 T C 1.731 176.513 174.700 0.137 0.000 1.050 423 T CA 2.176 64.371 62.100 0.158 0.000 1.137 423 T CB -1.220 67.727 68.868 0.132 0.000 0.860 423 T HN 0.346 nan 8.240 nan 0.000 0.468 424 T N 1.269 115.895 114.554 0.119 0.000 2.803 424 T HA -0.023 4.327 4.350 -0.000 0.000 0.269 424 T C 2.035 176.739 174.700 0.007 0.000 1.052 424 T CA 1.189 63.338 62.100 0.082 0.000 1.136 424 T CB -0.420 68.469 68.868 0.035 0.000 0.864 424 T HN 0.306 nan 8.240 nan 0.000 0.467 425 V N 0.612 120.497 119.914 -0.048 0.000 2.426 425 V HA 0.038 4.158 4.120 -0.000 0.000 0.242 425 V C 2.275 178.390 176.094 0.033 0.000 1.036 425 V CA 0.731 62.944 62.300 -0.144 0.000 1.044 425 V CB -0.375 31.123 31.823 -0.541 0.000 0.688 425 V HN 0.285 nan 8.190 nan 0.000 0.462 426 L N 0.235 121.521 121.223 0.105 0.000 2.127 426 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 426 L C 2.456 179.446 176.870 0.200 0.000 1.089 426 L CA 1.740 56.708 54.840 0.213 0.000 0.757 426 L CB -1.157 41.023 42.059 0.202 0.000 0.899 426 L HN 0.277 nan 8.230 nan 0.000 0.434 427 R N -0.203 120.396 120.500 0.166 0.000 2.115 427 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 427 R C 2.046 178.430 176.300 0.139 0.000 1.133 427 R CA 1.780 57.998 56.100 0.196 0.000 0.935 427 R CB -0.132 30.325 30.300 0.260 0.000 0.853 427 R HN 0.328 nan 8.270 nan 0.000 0.433 428 E N -0.419 119.810 120.200 0.048 0.000 2.267 428 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 428 E C 0.278 176.716 176.600 -0.271 0.000 0.998 428 E CA 1.009 57.328 56.400 -0.135 0.000 0.830 428 E CB -0.159 29.387 29.700 -0.257 0.000 0.751 428 E HN 0.320 nan 8.360 nan 0.000 0.491 432 V N -2.811 117.182 119.914 0.131 0.000 3.145 432 V HA 0.570 4.690 4.120 -0.000 0.000 0.311 432 V C -0.246 175.925 176.094 0.129 0.000 1.238 432 V CA -1.185 61.185 62.300 0.116 0.000 1.066 432 V CB 1.774 33.649 31.823 0.086 0.000 1.144 432 V HN 0.304 nan 8.190 nan 0.000 0.465 433 N N 2.542 121.300 118.700 0.097 0.000 2.468 433 N HA 0.193 4.933 4.740 -0.000 0.000 0.265 433 N C -1.271 174.288 175.510 0.082 0.000 1.199 433 N CA -1.079 52.020 53.050 0.083 0.000 0.928 433 N CB 1.357 39.883 38.487 0.065 0.000 1.059 433 N HN 0.630 nan 8.380 nan 0.000 0.467 434 P HA -0.197 nan 4.420 nan 0.000 0.217 434 P C 1.490 178.829 177.300 0.065 0.000 1.148 434 P CA 0.748 63.895 63.100 0.078 0.000 0.834 434 P CB 0.376 32.117 31.700 0.068 0.000 0.783 435 L N -0.957 120.299 121.223 0.056 0.000 2.265 435 L HA -0.022 4.317 4.340 -0.000 0.000 0.215 435 L C 1.830 178.728 176.870 0.047 0.000 1.117 435 L CA 1.356 56.224 54.840 0.047 0.000 0.782 435 L CB -1.501 40.584 42.059 0.043 0.000 0.914 435 L HN 0.198 nan 8.230 nan 0.000 0.441 436 Q N 0.000 119.834 119.800 0.057 0.000 2.315 436 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 436 Q CA 0.000 55.838 55.803 0.058 0.000 1.022 436 Q CB 0.000 28.774 28.738 0.060 0.000 1.108 436 Q HN 0.000 nan 8.270 nan 0.000 0.481