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 3kvg_1_A DATA FIRST_RESID 19 DATA SEQUENCE GPAIGIDLGT TYSCVGVWRN DTVDIVPNDQ GNRTTPSYVA FTETERLIGD DATA SEQUENCE AAKNQVARNP ENTVFDAKRL IGRKFDDQAV QSDMTHWPFK VVRGPKDKPI DATA SEQUENCE ISVNYLGEKK EFHAEEISAM VLQKMKEISE AYLGRQIKNA VVTVPAYFND DATA SEQUENCE SQRQATKDAG AIAGLNVMRI INEPTAAAIA YGLDKKGTGE RNVLIFDLGG DATA SEQUENCE GTFDVSLLTI EDGIFEVKAT AGDTHLGGED FDNRLVEFCV QDFKRKNRGM DATA SEQUENCE DLTTNARALR RLRTQCERAK RTLSSSTQAT IELDSLYEGI DYSVAISRAR DATA SEQUENCE FEELCADYFR ATLAPVEKVL KDAGMDKRSV HDVVLVGGST RIPKVQALIQ DATA SEQUENCE EFFNGKEPCK AINPDEAVAY GAAVQAAILN G 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 19 G HA2 0.000 nan 3.960 nan 0.000 0.244 19 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 19 G C 0.000 174.897 174.900 -0.006 0.000 0.946 19 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 20 P HA 0.602 nan 4.420 nan 0.000 0.281 20 P C -0.520 176.800 177.300 0.033 0.000 1.249 20 P CA -0.196 62.916 63.100 0.020 0.000 0.810 20 P CB 1.639 33.373 31.700 0.057 0.000 1.008 21 A N 2.574 125.416 122.820 0.037 0.000 2.324 21 A HA 0.757 5.077 4.320 -0.000 0.000 0.330 21 A C 0.119 177.779 177.584 0.128 0.000 1.165 21 A CA -0.849 51.220 52.037 0.053 0.000 0.813 21 A CB 0.313 19.320 19.000 0.011 0.000 1.197 21 A HN 0.636 nan 8.150 nan 0.000 0.484 22 I N -0.773 119.854 120.570 0.094 0.000 2.910 22 I HA 0.915 5.085 4.170 -0.000 0.000 0.310 22 I C 0.188 176.344 176.117 0.064 0.000 1.043 22 I CA -1.063 60.290 61.300 0.089 0.000 1.053 22 I CB 2.408 40.438 38.000 0.051 0.000 1.242 22 I HN 0.582 nan 8.210 nan 0.000 0.452 23 G N 4.709 113.533 108.800 0.039 0.000 2.478 23 G HA2 0.708 4.668 3.960 -0.000 0.000 0.317 23 G HA3 0.708 4.668 3.960 -0.000 0.000 0.317 23 G C -1.030 173.867 174.900 -0.005 0.000 1.259 23 G CA -0.612 44.500 45.100 0.020 0.000 0.933 23 G HN 0.583 nan 8.290 nan 0.000 0.478 24 I N 1.774 122.340 120.570 -0.005 0.000 2.436 24 I HA 0.228 4.398 4.170 -0.000 0.000 0.289 24 I C -1.073 175.033 176.117 -0.017 0.000 1.010 24 I CA -0.828 60.465 61.300 -0.012 0.000 1.098 24 I CB 2.460 40.456 38.000 -0.008 0.000 1.266 24 I HN 0.359 nan 8.210 nan 0.000 0.434 25 D N 6.977 127.368 120.400 -0.016 0.000 2.428 25 D HA 0.201 4.841 4.640 -0.000 0.000 0.221 25 D C -0.831 175.462 176.300 -0.013 0.000 1.123 25 D CA -0.406 53.582 54.000 -0.021 0.000 0.869 25 D CB 1.098 41.891 40.800 -0.011 0.000 1.032 25 D HN 0.256 nan 8.370 nan 0.000 0.506 26 L N 4.974 126.182 121.223 -0.025 0.000 2.358 26 L HA 0.534 4.874 4.340 -0.000 0.000 0.274 26 L C 0.506 177.367 176.870 -0.016 0.000 1.136 26 L CA -0.224 54.607 54.840 -0.014 0.000 0.970 26 L CB 0.340 42.393 42.059 -0.011 0.000 1.314 26 L HN 0.396 nan 8.230 nan 0.000 0.427 27 G N 1.974 110.781 108.800 0.011 0.000 2.537 27 G HA2 0.311 4.271 3.960 -0.000 0.000 0.273 27 G HA3 0.311 4.271 3.960 -0.000 0.000 0.273 27 G C 0.615 175.538 174.900 0.039 0.000 1.189 27 G CA 0.116 45.233 45.100 0.028 0.000 0.881 27 G HN 0.579 nan 8.290 nan 0.000 0.535 28 T N -0.145 114.443 114.554 0.055 0.000 2.777 28 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 28 T C 2.575 177.317 174.700 0.070 0.000 1.040 28 T CA 2.218 64.363 62.100 0.074 0.000 1.141 28 T CB -0.239 68.687 68.868 0.097 0.000 0.868 28 T HN 0.727 nan 8.240 nan 0.000 0.444 29 T N -2.037 112.572 114.554 0.091 0.000 3.038 29 T HA 0.251 4.601 4.350 -0.000 0.000 0.244 29 T C 0.085 174.685 174.700 -0.167 0.000 1.016 29 T CA -0.270 61.851 62.100 0.035 0.000 1.098 29 T CB -0.026 68.927 68.868 0.141 0.000 0.954 29 T HN 0.316 nan 8.240 nan 0.000 0.469 30 Y N 1.013 121.347 120.300 0.056 0.000 2.477 30 Y HA 0.687 5.237 4.550 -0.000 0.000 0.347 30 Y C -0.248 175.660 175.900 0.013 0.000 0.981 30 Y CA -1.063 57.057 58.100 0.034 0.000 1.033 30 Y CB 2.597 41.069 38.460 0.020 0.000 1.245 30 Y HN 0.021 nan 8.280 nan 0.000 0.455 31 S N 1.485 117.268 115.700 0.137 0.000 2.537 31 S HA 0.682 5.152 4.470 -0.000 0.000 0.301 31 S C -1.283 173.353 174.600 0.060 0.000 1.092 31 S CA -0.630 57.611 58.200 0.068 0.000 1.048 31 S CB 1.674 64.888 63.200 0.024 0.000 1.053 31 S HN 0.733 nan 8.310 nan 0.000 0.501 32 C N 2.618 121.933 119.300 0.024 0.000 2.686 32 C HA 0.819 5.279 4.460 -0.000 0.000 0.318 32 C C -0.806 174.169 174.990 -0.024 0.000 1.160 32 C CA -0.326 58.691 59.018 -0.002 0.000 1.396 32 C CB 0.660 28.400 27.740 0.000 0.000 1.924 32 C HN 0.743 nan 8.230 nan 0.000 0.471 33 V N 5.069 124.952 119.914 -0.050 0.000 2.656 33 V HA 0.932 5.052 4.120 -0.000 0.000 0.307 33 V C 0.132 176.164 176.094 -0.104 0.000 1.051 33 V CA 0.545 62.809 62.300 -0.061 0.000 0.893 33 V CB 1.821 33.614 31.823 -0.050 0.000 0.999 33 V HN 1.258 nan 8.190 nan 0.000 0.426 34 G N 4.887 113.626 108.800 -0.102 0.000 2.461 34 G HA2 0.679 4.639 3.960 -0.000 0.000 0.323 34 G HA3 0.679 4.639 3.960 -0.000 0.000 0.323 34 G C -0.809 174.005 174.900 -0.144 0.000 1.229 34 G CA -0.062 44.936 45.100 -0.169 0.000 0.941 34 G HN 1.425 nan 8.290 nan 0.000 0.477 35 V N -1.096 118.707 119.914 -0.184 0.000 3.158 35 V HA 0.855 4.975 4.120 -0.000 0.000 0.315 35 V C -1.377 174.581 176.094 -0.227 0.000 1.148 35 V CA -1.888 60.376 62.300 -0.059 0.000 1.042 35 V CB 1.881 33.748 31.823 0.072 0.000 1.101 35 V HN 0.638 nan 8.190 nan 0.000 0.448 36 W N 0.648 121.937 121.300 -0.019 0.000 2.417 36 W HA 0.818 5.478 4.660 0.001 0.000 0.315 36 W C 0.249 176.771 176.519 0.005 0.000 1.045 36 W CA -0.289 57.039 57.345 -0.028 0.000 1.221 36 W CB 1.514 30.952 29.460 -0.036 0.000 1.309 36 W HN 0.458 nan 8.180 nan 0.000 0.453 37 R N 3.194 123.779 120.500 0.141 0.000 2.538 37 R HA 0.199 4.539 4.340 -0.000 0.000 0.292 37 R C -0.400 175.955 176.300 0.093 0.000 1.008 37 R CA -0.852 55.310 56.100 0.103 0.000 0.896 37 R CB 1.635 31.966 30.300 0.052 0.000 1.187 37 R HN 0.536 nan 8.270 nan 0.000 0.440 38 N N 2.547 121.303 118.700 0.092 0.000 2.740 38 N HA -0.195 4.545 4.740 -0.000 0.000 0.248 38 N C -0.898 174.686 175.510 0.123 0.000 1.062 38 N CA 1.389 54.486 53.050 0.078 0.000 0.704 38 N CB -0.864 37.647 38.487 0.041 0.000 0.968 38 N HN 0.860 nan 8.380 nan 0.000 0.547 39 D N -2.425 118.106 120.400 0.217 0.000 2.911 39 D HA -0.176 4.464 4.640 -0.000 0.000 0.227 39 D C 0.384 176.923 176.300 0.399 0.000 1.164 39 D CA 1.948 56.145 54.000 0.329 0.000 0.782 39 D CB -1.364 39.541 40.800 0.174 0.000 1.094 39 D HN 0.809 nan 8.370 nan 0.000 0.425 40 T N -4.865 109.805 114.554 0.192 0.000 2.838 40 T HA 0.668 5.018 4.350 -0.000 0.000 0.292 40 T C -0.105 174.165 174.700 -0.717 0.000 1.113 40 T CA -0.886 61.094 62.100 -0.201 0.000 1.008 40 T CB 2.370 71.172 68.868 -0.110 0.000 1.259 40 T HN -0.161 nan 8.240 nan 0.000 0.520 41 V N 1.814 121.139 119.914 -0.981 0.000 2.465 41 V HA 0.493 4.613 4.120 -0.000 0.000 0.279 41 V C -0.614 175.135 176.094 -0.575 0.000 1.045 41 V CA -0.329 61.298 62.300 -1.123 0.000 0.938 41 V CB 1.162 32.051 31.823 -1.555 0.000 0.986 41 V HN 0.902 nan 8.190 nan 0.000 0.467 42 D N 3.421 123.578 120.400 -0.406 0.000 2.350 42 D HA 0.516 5.156 4.640 -0.000 0.000 0.245 42 D C -0.601 175.541 176.300 -0.263 0.000 1.036 42 D CA -0.368 53.511 54.000 -0.201 0.000 0.848 42 D CB 1.871 42.689 40.800 0.030 0.000 1.307 42 D HN 0.168 nan 8.370 nan 0.000 0.469 43 I N 2.037 122.471 120.570 -0.226 0.000 2.331 43 I HA 0.175 4.345 4.170 -0.000 0.000 0.292 43 I C 0.154 176.057 176.117 -0.358 0.000 0.998 43 I CA -0.734 60.428 61.300 -0.230 0.000 1.267 43 I CB 1.079 39.002 38.000 -0.127 0.000 1.386 43 I HN 0.081 nan 8.210 nan 0.000 0.476 44 V N 9.417 129.083 119.914 -0.414 0.000 2.446 44 V HA 0.119 4.239 4.120 -0.000 0.000 0.276 44 V C -1.915 173.980 176.094 -0.331 0.000 1.030 44 V CA -1.093 60.861 62.300 -0.577 0.000 1.033 44 V CB 0.170 31.732 31.823 -0.434 0.000 0.993 44 V HN 0.606 nan 8.190 nan 0.000 0.477 45 P HA 0.252 nan 4.420 nan 0.000 0.278 45 P C -0.574 176.680 177.300 -0.077 0.000 1.238 45 P CA -0.510 62.514 63.100 -0.127 0.000 0.794 45 P CB 0.732 32.393 31.700 -0.065 0.000 0.955 46 N N 1.034 119.708 118.700 -0.042 0.000 2.431 46 N HA 0.019 4.759 4.740 -0.000 0.000 0.289 46 N C 0.703 176.211 175.510 -0.004 0.000 1.277 46 N CA -0.360 52.678 53.050 -0.020 0.000 0.972 46 N CB -0.479 38.000 38.487 -0.013 0.000 1.143 46 N HN 0.353 nan 8.380 nan 0.000 0.578 47 D N -1.754 118.646 120.400 -0.000 0.000 2.351 47 D HA -0.167 4.473 4.640 -0.000 0.000 0.216 47 D C 0.287 176.588 176.300 0.002 0.000 0.968 47 D CA 0.915 54.918 54.000 0.004 0.000 0.899 47 D CB -0.132 40.669 40.800 0.001 0.000 0.907 47 D HN 0.510 nan 8.370 nan 0.000 0.514 48 Q N -0.323 119.476 119.800 -0.002 0.000 2.219 48 Q HA 0.229 4.569 4.340 -0.000 0.000 0.209 48 Q C 1.314 177.312 176.000 -0.002 0.000 0.854 48 Q CA 0.465 56.267 55.803 -0.002 0.000 0.960 48 Q CB 1.039 29.775 28.738 -0.004 0.000 1.116 48 Q HN 0.476 nan 8.270 nan 0.000 0.500 49 G N 1.986 110.785 108.800 -0.002 0.000 2.148 49 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 49 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 49 G C 0.013 174.905 174.900 -0.014 0.000 0.981 49 G CA 0.060 45.158 45.100 -0.004 0.000 0.670 49 G HN 0.265 nan 8.290 nan 0.000 0.528 50 N N -0.639 118.052 118.700 -0.015 0.000 2.456 50 N HA 0.524 5.264 4.740 -0.000 0.000 0.296 50 N C 1.075 176.566 175.510 -0.031 0.000 1.102 50 N CA -0.622 52.416 53.050 -0.020 0.000 0.924 50 N CB 1.247 39.731 38.487 -0.006 0.000 1.186 50 N HN 0.085 nan 8.380 nan 0.000 0.492 51 R N -0.533 119.941 120.500 -0.043 0.000 2.299 51 R HA 0.055 4.395 4.340 -0.000 0.000 0.197 51 R C 0.326 176.606 176.300 -0.033 0.000 0.971 51 R CA 0.429 56.494 56.100 -0.057 0.000 1.030 51 R CB -0.020 30.240 30.300 -0.068 0.000 0.932 51 R HN 0.665 nan 8.270 nan 0.000 0.477 52 T N -3.386 111.165 114.554 -0.003 0.000 2.893 52 T HA 0.554 4.904 4.350 -0.000 0.000 0.291 52 T C -0.275 174.521 174.700 0.159 0.000 1.028 52 T CA -0.769 61.371 62.100 0.066 0.000 0.995 52 T CB 2.575 71.458 68.868 0.024 0.000 1.051 52 T HN -0.200 nan 8.240 nan 0.000 0.470 53 T N 4.078 118.745 114.554 0.188 0.000 2.824 53 T HA 0.562 4.912 4.350 -0.000 0.000 0.282 53 T C -2.819 171.918 174.700 0.062 0.000 0.993 53 T CA -1.283 60.891 62.100 0.122 0.000 0.967 53 T CB 1.550 70.439 68.868 0.034 0.000 0.960 53 T HN 0.450 nan 8.240 nan 0.000 0.441 54 P HA 0.116 nan 4.420 nan 0.000 0.264 54 P C -0.234 177.005 177.300 -0.103 0.000 1.193 54 P CA -0.097 62.765 63.100 -0.397 0.000 0.763 54 P CB 0.282 31.742 31.700 -0.400 0.000 0.810 55 S N 2.528 118.187 115.700 -0.068 0.000 4.069 55 S HA 0.165 4.635 4.470 -0.000 0.000 0.192 55 S C -0.409 174.179 174.600 -0.021 0.000 1.441 55 S CA 0.183 58.365 58.200 -0.030 0.000 0.994 55 S CB -1.278 61.895 63.200 -0.045 0.000 1.456 55 S HN 0.324 nan 8.310 nan 0.000 0.458 56 Y N -0.008 120.193 120.300 -0.164 0.000 2.446 56 Y HA 0.618 5.168 4.550 -0.000 0.000 0.345 56 Y C -0.004 175.768 175.900 -0.213 0.000 0.984 56 Y CA -0.901 57.107 58.100 -0.154 0.000 1.058 56 Y CB 1.588 39.955 38.460 -0.155 0.000 1.220 56 Y HN 0.037 nan 8.280 nan 0.000 0.455 57 V N 2.021 121.843 119.914 -0.153 0.000 2.925 57 V HA 0.930 5.050 4.120 -0.000 0.000 0.311 57 V C -0.931 174.896 176.094 -0.445 0.000 1.104 57 V CA -0.961 61.116 62.300 -0.371 0.000 0.954 57 V CB 1.867 33.386 31.823 -0.507 0.000 1.022 57 V HN 0.840 nan 8.190 nan 0.000 0.427 58 A N 3.002 125.435 122.820 -0.645 0.000 2.515 58 A HA 0.957 5.277 4.320 -0.000 0.000 0.298 58 A C -1.615 175.467 177.584 -0.837 0.000 1.059 58 A CA -0.394 51.331 52.037 -0.521 0.000 0.698 58 A CB 1.405 20.292 19.000 -0.188 0.000 1.289 58 A HN 0.603 nan 8.150 nan 0.000 0.404 59 F N 0.992 120.871 119.950 -0.117 0.000 2.507 59 F HA 0.686 5.213 4.527 -0.001 0.000 0.325 59 F C 0.933 176.781 175.800 0.081 0.000 1.116 59 F CA -0.138 57.803 58.000 -0.100 0.000 0.930 59 F CB 2.676 41.564 39.000 -0.186 0.000 1.146 59 F HN 0.723 nan 8.300 nan 0.000 0.447 60 T N -1.811 112.934 114.554 0.318 0.000 2.773 60 T HA 0.402 4.752 4.350 -0.000 0.000 0.278 60 T C 0.561 175.421 174.700 0.266 0.000 1.011 60 T CA -0.645 61.594 62.100 0.233 0.000 1.014 60 T CB 1.500 70.450 68.868 0.136 0.000 1.293 60 T HN 0.459 nan 8.240 nan 0.000 0.554 61 E N 0.163 120.459 120.200 0.160 0.000 2.347 61 E HA 0.061 4.411 4.350 -0.000 0.000 0.196 61 E C 1.695 178.340 176.600 0.076 0.000 1.008 61 E CA 1.474 57.938 56.400 0.107 0.000 0.852 61 E CB -0.076 29.666 29.700 0.070 0.000 0.783 61 E HN 0.852 nan 8.360 nan 0.000 0.505 62 T N -3.337 111.276 114.554 0.099 0.000 2.969 62 T HA 0.141 4.491 4.350 -0.000 0.000 0.258 62 T C 0.339 175.102 174.700 0.105 0.000 0.962 62 T CA -0.294 61.848 62.100 0.069 0.000 0.903 62 T CB 0.200 69.099 68.868 0.051 0.000 1.177 62 T HN 0.212 nan 8.240 nan 0.000 0.511 63 E N 0.736 121.048 120.200 0.187 0.000 2.447 63 E HA 0.556 4.905 4.350 -0.000 0.000 0.279 63 E C -1.408 175.363 176.600 0.285 0.000 1.053 63 E CA -1.348 55.179 56.400 0.213 0.000 0.840 63 E CB 1.327 31.085 29.700 0.097 0.000 1.409 63 E HN 0.152 nan 8.360 nan 0.000 0.461 64 R N 1.737 122.330 120.500 0.155 0.000 2.562 64 R HA 0.566 4.906 4.340 -0.000 0.000 0.298 64 R C -1.615 174.577 176.300 -0.181 0.000 0.961 64 R CA -0.774 55.235 56.100 -0.152 0.000 0.881 64 R CB 0.661 30.787 30.300 -0.290 0.000 1.159 64 R HN 0.617 nan 8.270 nan 0.000 0.450 65 L N 3.962 125.010 121.223 -0.291 0.000 2.346 65 L HA 0.638 4.978 4.340 -0.000 0.000 0.274 65 L C -0.074 176.654 176.870 -0.238 0.000 1.007 65 L CA -1.263 53.459 54.840 -0.197 0.000 0.818 65 L CB 1.906 43.879 42.059 -0.144 0.000 1.284 65 L HN 0.757 nan 8.230 nan 0.000 0.424 66 I N 0.483 120.959 120.570 -0.157 0.000 2.730 66 I HA 0.939 5.109 4.170 -0.000 0.000 0.298 66 I C 0.477 176.539 176.117 -0.091 0.000 1.089 66 I CA 0.406 61.623 61.300 -0.140 0.000 1.041 66 I CB 1.859 39.773 38.000 -0.144 0.000 1.235 66 I HN 0.749 nan 8.210 nan 0.000 0.423 67 G N 5.148 113.906 108.800 -0.069 0.000 2.531 67 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.274 67 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.274 67 G C 0.579 175.411 174.900 -0.112 0.000 1.159 67 G CA 0.548 45.607 45.100 -0.068 0.000 0.969 67 G HN 0.752 nan 8.290 nan 0.000 0.554 68 D N 0.870 121.209 120.400 -0.102 0.000 2.123 68 D HA -0.051 4.589 4.640 -0.000 0.000 0.196 68 D C 2.841 179.070 176.300 -0.118 0.000 0.992 68 D CA 2.161 56.091 54.000 -0.117 0.000 0.833 68 D CB -0.556 40.205 40.800 -0.065 0.000 0.954 68 D HN 0.746 nan 8.370 nan 0.000 0.455 69 A N 1.244 124.011 122.820 -0.088 0.000 1.933 69 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 69 A C 2.334 179.864 177.584 -0.090 0.000 1.175 69 A CA 2.160 54.151 52.037 -0.077 0.000 0.628 69 A CB -0.502 18.460 19.000 -0.062 0.000 0.814 69 A HN 0.263 nan 8.150 nan 0.000 0.444 70 A N -0.456 122.302 122.820 -0.104 0.000 1.872 70 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 70 A C 2.142 179.666 177.584 -0.101 0.000 1.187 70 A CA 1.783 53.768 52.037 -0.086 0.000 0.614 70 A CB -0.443 18.518 19.000 -0.065 0.000 0.826 70 A HN 0.496 nan 8.150 nan 0.000 0.442 71 K N -0.349 119.888 120.400 -0.273 0.000 2.097 71 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 71 K C 1.477 177.892 176.600 -0.309 0.000 1.049 71 K CA 1.579 57.521 56.287 -0.574 0.000 0.933 71 K CB -0.177 31.769 32.500 -0.923 0.000 0.717 71 K HN 0.408 nan 8.250 nan 0.000 0.442 72 N N 1.206 119.787 118.700 -0.198 0.000 2.309 72 N HA -0.154 4.586 4.740 -0.000 0.000 0.182 72 N C 1.228 176.692 175.510 -0.076 0.000 1.018 72 N CA 1.093 54.069 53.050 -0.123 0.000 0.876 72 N CB -0.033 38.400 38.487 -0.090 0.000 0.972 72 N HN 0.428 nan 8.380 nan 0.000 0.434 73 Q N -0.278 119.487 119.800 -0.060 0.000 2.246 73 Q HA 0.235 4.575 4.340 -0.000 0.000 0.202 73 Q C 1.380 177.385 176.000 0.007 0.000 0.883 73 Q CA 0.020 55.811 55.803 -0.020 0.000 0.952 73 Q CB -0.230 28.501 28.738 -0.011 0.000 1.078 73 Q HN -0.003 nan 8.270 nan 0.000 0.493 74 V N 0.639 120.553 119.914 0.000 0.000 2.324 74 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 74 V C 2.129 178.263 176.094 0.067 0.000 1.060 74 V CA 2.324 64.659 62.300 0.058 0.000 1.042 74 V CB -0.735 31.123 31.823 0.058 0.000 0.650 74 V HN 0.595 nan 8.190 nan 0.000 0.450 75 A N -0.269 122.571 122.820 0.033 0.000 1.933 75 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 75 A C 2.261 179.873 177.584 0.047 0.000 1.175 75 A CA 1.781 53.841 52.037 0.038 0.000 0.628 75 A CB -0.504 18.506 19.000 0.017 0.000 0.814 75 A HN 0.622 nan 8.150 nan 0.000 0.444 76 R N -1.450 119.075 120.500 0.041 0.000 2.240 76 R HA 0.022 4.362 4.340 -0.000 0.000 0.203 76 R C 0.141 176.477 176.300 0.060 0.000 1.011 76 R CA 0.981 57.108 56.100 0.044 0.000 1.007 76 R CB -0.014 30.306 30.300 0.032 0.000 0.911 76 R HN 0.482 nan 8.270 nan 0.000 0.468 77 N N -0.119 118.627 118.700 0.076 0.000 2.673 77 N HA 0.103 4.843 4.740 -0.000 0.000 0.265 77 N C -2.224 173.366 175.510 0.134 0.000 1.709 77 N CA -1.437 51.671 53.050 0.098 0.000 0.792 77 N CB 1.012 39.552 38.487 0.088 0.000 1.286 77 N HN -0.191 nan 8.380 nan 0.000 0.506 78 P HA -0.096 nan 4.420 nan 0.000 0.217 78 P C 0.629 178.073 177.300 0.239 0.000 1.151 78 P CA 1.173 64.390 63.100 0.195 0.000 0.828 78 P CB 0.564 32.363 31.700 0.166 0.000 0.788 79 E N -0.348 119.970 120.200 0.196 0.000 2.204 79 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 79 E C 1.058 177.800 176.600 0.238 0.000 0.989 79 E CA 0.678 57.203 56.400 0.207 0.000 0.824 79 E CB -0.257 29.534 29.700 0.151 0.000 0.756 79 E HN 0.339 nan 8.360 nan 0.000 0.477 80 N N 0.235 119.067 118.700 0.220 0.000 2.204 80 N HA 0.035 4.775 4.740 -0.000 0.000 0.219 80 N C -0.657 174.989 175.510 0.226 0.000 1.151 80 N CA 0.235 53.432 53.050 0.245 0.000 0.867 80 N CB 1.380 40.016 38.487 0.249 0.000 1.043 80 N HN -0.109 nan 8.380 nan 0.000 0.516 81 T N 1.439 116.111 114.554 0.197 0.000 2.770 81 T HA 0.368 4.718 4.350 -0.000 0.000 0.297 81 T C 0.259 175.015 174.700 0.093 0.000 0.997 81 T CA -0.356 61.835 62.100 0.153 0.000 0.949 81 T CB 1.851 70.857 68.868 0.230 0.000 0.941 81 T HN -0.240 nan 8.240 nan 0.000 0.457 82 V N 5.745 125.529 119.914 -0.216 0.000 2.472 82 V HA 0.794 4.914 4.120 -0.000 0.000 0.290 82 V C -0.307 175.420 176.094 -0.613 0.000 1.037 82 V CA -0.815 61.020 62.300 -0.776 0.000 0.908 82 V CB 0.417 31.752 31.823 -0.813 0.000 0.985 82 V HN 0.876 nan 8.190 nan 0.000 0.454 83 F N 0.195 119.602 119.950 -0.905 0.000 2.745 83 F HA 0.701 5.227 4.527 -0.000 0.000 0.316 83 F C -0.022 175.437 175.800 -0.569 0.000 1.155 83 F CA -1.244 56.247 58.000 -0.849 0.000 0.937 83 F CB 1.106 39.316 39.000 -1.317 0.000 1.361 83 F HN 0.405 nan 8.300 nan 0.000 0.472 84 D N -0.064 120.217 120.400 -0.199 0.000 2.911 84 D HA -0.209 4.431 4.640 -0.000 0.000 0.227 84 D C 1.325 177.505 176.300 -0.199 0.000 1.164 84 D CA 1.030 54.981 54.000 -0.083 0.000 0.782 84 D CB -1.194 39.690 40.800 0.141 0.000 1.094 84 D HN 0.923 nan 8.370 nan 0.000 0.425 85 A N 0.016 122.681 122.820 -0.259 0.000 2.070 85 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 85 A C 2.090 179.658 177.584 -0.026 0.000 1.159 85 A CA 1.951 53.871 52.037 -0.194 0.000 0.656 85 A CB -0.224 18.657 19.000 -0.198 0.000 0.800 85 A HN 0.327 nan 8.150 nan 0.000 0.453 86 K N -0.245 120.178 120.400 0.039 0.000 2.211 86 K HA -0.087 4.233 4.320 -0.000 0.000 0.203 86 K C 1.945 178.674 176.600 0.215 0.000 1.050 86 K CA 1.053 57.432 56.287 0.153 0.000 0.945 86 K CB -0.106 32.487 32.500 0.156 0.000 0.732 86 K HN 0.479 nan 8.250 nan 0.000 0.451 87 R N -0.243 120.385 120.500 0.214 0.000 2.276 87 R HA -0.035 4.305 4.340 -0.000 0.000 0.203 87 R C 1.619 178.075 176.300 0.260 0.000 1.017 87 R CA 0.405 56.673 56.100 0.281 0.000 1.010 87 R CB 0.103 30.665 30.300 0.437 0.000 0.900 87 R HN 0.125 nan 8.270 nan 0.000 0.469 88 L N 0.035 121.375 121.223 0.194 0.000 2.577 88 L HA 0.262 4.602 4.340 -0.000 0.000 0.225 88 L C 0.659 177.568 176.870 0.064 0.000 1.053 88 L CA 0.165 55.102 54.840 0.162 0.000 0.866 88 L CB 0.373 42.524 42.059 0.154 0.000 1.132 88 L HN -0.006 nan 8.230 nan 0.000 0.486 89 I N 0.716 121.303 120.570 0.028 0.000 2.821 89 I HA 0.083 4.253 4.170 -0.000 0.000 0.294 89 I C 1.410 177.463 176.117 -0.106 0.000 1.210 89 I CA 1.337 62.628 61.300 -0.016 0.000 1.430 89 I CB 0.152 38.166 38.000 0.023 0.000 1.356 89 I HN 0.556 nan 8.210 nan 0.000 0.563 90 G N 5.729 114.480 108.800 -0.082 0.000 2.175 90 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.265 90 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.265 90 G C 0.469 175.311 174.900 -0.097 0.000 0.979 90 G CA 0.254 45.289 45.100 -0.108 0.000 0.663 90 G HN 0.650 nan 8.290 nan 0.000 0.533 91 R N -0.288 120.177 120.500 -0.058 0.000 2.691 91 R HA 0.621 4.961 4.340 -0.000 0.000 0.259 91 R C 0.264 176.577 176.300 0.021 0.000 1.048 91 R CA -0.740 55.344 56.100 -0.025 0.000 1.086 91 R CB 0.932 31.228 30.300 -0.007 0.000 1.166 91 R HN 0.145 nan 8.270 nan 0.000 0.526 92 K N 0.917 121.335 120.400 0.031 0.000 2.110 92 K HA 0.116 4.436 4.320 -0.000 0.000 0.263 92 K C 0.608 177.272 176.600 0.107 0.000 0.975 92 K CA -0.329 56.001 56.287 0.071 0.000 0.895 92 K CB 0.916 33.446 32.500 0.051 0.000 1.060 92 K HN 0.411 nan 8.250 nan 0.000 0.448 93 F N 2.779 122.747 119.950 0.031 0.000 2.120 93 F HA -0.232 4.295 4.527 -0.000 0.000 0.300 93 F C 1.249 177.066 175.800 0.029 0.000 1.095 93 F CA 2.135 60.160 58.000 0.043 0.000 1.249 93 F CB 0.007 39.033 39.000 0.044 0.000 0.995 93 F HN 0.667 nan 8.300 nan 0.000 0.480 94 D N -1.357 119.059 120.400 0.027 0.000 2.336 94 D HA -0.018 4.622 4.640 -0.000 0.000 0.229 94 D C -0.192 176.055 176.300 -0.088 0.000 1.061 94 D CA 0.017 53.978 54.000 -0.065 0.000 0.875 94 D CB -0.944 39.890 40.800 0.057 0.000 0.904 94 D HN 0.135 nan 8.370 nan 0.000 0.525 95 D N 1.053 121.403 120.400 -0.083 0.000 2.458 95 D HA -0.037 4.603 4.640 -0.000 0.000 0.243 95 D C 1.331 177.572 176.300 -0.098 0.000 1.146 95 D CA 0.029 53.990 54.000 -0.064 0.000 0.877 95 D CB 1.164 41.940 40.800 -0.039 0.000 1.176 95 D HN -0.061 nan 8.370 nan 0.000 0.461 96 Q N 3.220 122.976 119.800 -0.074 0.000 2.112 96 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 96 Q C 1.710 177.656 176.000 -0.090 0.000 0.987 96 Q CA 2.174 57.927 55.803 -0.083 0.000 0.858 96 Q CB -0.345 28.358 28.738 -0.058 0.000 0.905 96 Q HN 0.579 nan 8.270 nan 0.000 0.420 97 A N -0.674 122.110 122.820 -0.059 0.000 1.883 97 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 97 A C 2.315 179.855 177.584 -0.074 0.000 1.186 97 A CA 1.820 53.836 52.037 -0.036 0.000 0.624 97 A CB -0.934 18.070 19.000 0.006 0.000 0.822 97 A HN 0.274 nan 8.150 nan 0.000 0.444 98 V N -0.095 119.767 119.914 -0.087 0.000 2.261 98 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 98 V C 2.753 178.703 176.094 -0.240 0.000 1.047 98 V CA 2.052 64.283 62.300 -0.114 0.000 1.015 98 V CB -0.776 30.999 31.823 -0.081 0.000 0.642 98 V HN 0.540 nan 8.190 nan 0.000 0.446 99 Q N -0.339 119.301 119.800 -0.267 0.000 2.135 99 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 99 Q C 2.568 178.417 176.000 -0.252 0.000 0.981 99 Q CA 2.103 57.733 55.803 -0.289 0.000 0.856 99 Q CB -0.767 27.819 28.738 -0.252 0.000 0.902 99 Q HN 0.636 nan 8.270 nan 0.000 0.425 100 S N 0.634 116.207 115.700 -0.211 0.000 2.355 100 S HA -0.136 4.333 4.470 -0.000 0.000 0.222 100 S C 1.357 175.813 174.600 -0.240 0.000 1.031 100 S CA 1.241 59.329 58.200 -0.187 0.000 0.993 100 S CB -0.027 63.094 63.200 -0.131 0.000 0.859 100 S HN 0.228 nan 8.310 nan 0.000 0.453 101 D N 1.086 121.267 120.400 -0.366 0.000 2.117 101 D HA -0.068 4.572 4.640 -0.000 0.000 0.197 101 D C 1.950 177.526 176.300 -1.207 0.000 0.987 101 D CA 1.105 54.672 54.000 -0.722 0.000 0.829 101 D CB -0.386 39.899 40.800 -0.857 0.000 0.961 101 D HN 0.440 nan 8.370 nan 0.000 0.460 102 M N 0.373 119.444 119.600 -0.881 0.000 2.195 102 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 102 M C 2.155 178.222 176.300 -0.388 0.000 1.066 102 M CA 1.723 56.711 55.300 -0.520 0.000 1.089 102 M CB -0.377 32.087 32.600 -0.226 0.000 1.377 102 M HN 0.108 nan 8.290 nan 0.000 0.411 103 T N -3.111 111.191 114.554 -0.420 0.000 3.007 103 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 103 T C 0.911 175.288 174.700 -0.539 0.000 1.107 103 T CA 1.349 63.182 62.100 -0.444 0.000 1.118 103 T CB -0.575 67.996 68.868 -0.493 0.000 0.889 103 T HN 0.520 nan 8.240 nan 0.000 0.506 104 H N -1.413 117.470 119.070 -0.312 0.000 2.594 104 H HA 0.341 4.896 4.556 -0.000 0.000 0.279 104 H C -0.411 174.902 175.328 -0.025 0.000 1.042 104 H CA -0.772 55.173 56.048 -0.171 0.000 1.177 104 H CB 0.150 29.816 29.762 -0.160 0.000 1.524 104 H HN 0.334 nan 8.280 nan 0.000 0.537 105 W N 1.930 123.134 121.300 -0.160 0.000 2.433 105 W HA 0.283 4.943 4.660 0.000 0.000 0.315 105 W C -1.864 174.430 176.519 -0.375 0.000 1.087 105 W CA -3.124 53.947 57.345 -0.457 0.000 1.205 105 W CB 0.937 29.683 29.460 -1.190 0.000 1.288 105 W HN 0.042 nan 8.180 nan 0.000 0.504 106 P HA -0.031 nan 4.420 nan 0.000 0.231 106 P C 0.064 177.430 177.300 0.109 0.000 1.168 106 P CA 0.570 63.738 63.100 0.114 0.000 0.779 106 P CB -0.001 31.839 31.700 0.233 0.000 0.844 107 F N -0.431 119.589 119.950 0.117 0.000 2.375 107 F HA 0.536 5.063 4.527 0.000 0.000 0.333 107 F C 0.553 176.407 175.800 0.090 0.000 1.104 107 F CA -2.005 56.032 58.000 0.061 0.000 1.149 107 F CB 0.453 39.430 39.000 -0.039 0.000 1.190 107 F HN -0.395 nan 8.300 nan 0.000 0.533 108 K N 2.221 122.770 120.400 0.247 0.000 2.276 108 K HA 0.532 4.852 4.320 -0.000 0.000 0.283 108 K C -1.503 175.246 176.600 0.247 0.000 1.044 108 K CA -0.509 55.886 56.287 0.179 0.000 0.944 108 K CB 0.947 33.524 32.500 0.128 0.000 1.012 108 K HN 0.707 nan 8.250 nan 0.000 0.472 109 V N 5.898 125.961 119.914 0.249 0.000 2.444 109 V HA 0.345 4.465 4.120 -0.000 0.000 0.294 109 V C -0.348 175.946 176.094 0.335 0.000 1.022 109 V CA -0.838 61.659 62.300 0.328 0.000 0.850 109 V CB 1.277 33.361 31.823 0.434 0.000 0.992 109 V HN 0.662 nan 8.190 nan 0.000 0.426 110 V N 2.293 122.296 119.914 0.149 0.000 3.113 110 V HA 0.681 4.801 4.120 -0.000 0.000 0.316 110 V C -0.114 175.601 176.094 -0.631 0.000 1.125 110 V CA -1.262 60.942 62.300 -0.160 0.000 1.026 110 V CB 1.915 33.667 31.823 -0.120 0.000 1.080 110 V HN 0.815 nan 8.190 nan 0.000 0.444 111 R N 0.843 120.674 120.500 -1.115 0.000 2.298 111 R HA 0.570 4.910 4.340 -0.000 0.000 0.310 111 R C 0.316 176.387 176.300 -0.380 0.000 1.068 111 R CA 0.440 55.922 56.100 -1.030 0.000 0.957 111 R CB 0.775 30.512 30.300 -0.938 0.000 1.003 111 R HN 1.178 nan 8.270 nan 0.000 0.454 112 G N 4.188 112.871 108.800 -0.196 0.000 2.613 112 G HA2 0.457 4.417 3.960 -0.000 0.000 0.303 112 G HA3 0.457 4.417 3.960 -0.000 0.000 0.303 112 G C -2.569 172.303 174.900 -0.046 0.000 1.312 112 G CA -1.303 43.754 45.100 -0.073 0.000 1.036 112 G HN 0.427 nan 8.290 nan 0.000 0.513 113 P HA 0.222 nan 4.420 nan 0.000 0.272 113 P C -0.358 176.942 177.300 0.000 0.000 1.223 113 P CA -0.059 63.035 63.100 -0.010 0.000 0.784 113 P CB 0.490 32.188 31.700 -0.003 0.000 0.923 114 K N 0.632 121.032 120.400 -0.000 0.000 3.160 114 K HA -0.262 4.058 4.320 -0.000 0.000 0.280 114 K C 0.147 176.756 176.600 0.016 0.000 1.154 114 K CA 0.918 57.207 56.287 0.003 0.000 0.822 114 K CB -1.896 30.600 32.500 -0.005 0.000 1.239 114 K HN 0.620 nan 8.250 nan 0.000 0.489 115 D N 0.041 120.458 120.400 0.029 0.000 2.945 115 D HA -0.171 4.469 4.640 -0.000 0.000 0.225 115 D C -0.352 176.011 176.300 0.105 0.000 1.158 115 D CA 1.826 55.871 54.000 0.075 0.000 0.805 115 D CB -0.350 40.499 40.800 0.083 0.000 1.098 115 D HN 0.500 nan 8.370 nan 0.000 0.426 116 K N 0.639 121.078 120.400 0.065 0.000 2.258 116 K HA 0.468 4.788 4.320 -0.000 0.000 0.284 116 K C -2.531 174.158 176.600 0.147 0.000 1.051 116 K CA -1.685 54.647 56.287 0.074 0.000 0.923 116 K CB 1.060 33.560 32.500 0.001 0.000 1.046 116 K HN -0.080 nan 8.250 nan 0.000 0.474 117 P HA 0.086 nan 4.420 nan 0.000 0.271 117 P C -0.834 176.614 177.300 0.247 0.000 1.216 117 P CA 0.134 63.420 63.100 0.311 0.000 0.776 117 P CB 0.527 32.424 31.700 0.328 0.000 0.881 118 I N 3.672 124.349 120.570 0.177 0.000 2.447 118 I HA 0.326 4.496 4.170 -0.000 0.000 0.287 118 I C 0.070 176.253 176.117 0.111 0.000 1.023 118 I CA -0.838 60.523 61.300 0.102 0.000 1.083 118 I CB 1.469 39.465 38.000 -0.007 0.000 1.245 118 I HN 0.143 nan 8.210 nan 0.000 0.434 119 I N 4.968 125.600 120.570 0.104 0.000 2.416 119 I HA 0.126 4.296 4.170 -0.000 0.000 0.288 119 I C 0.483 176.640 176.117 0.067 0.000 1.051 119 I CA 0.310 61.684 61.300 0.123 0.000 1.375 119 I CB 1.245 39.274 38.000 0.048 0.000 1.407 119 I HN 0.458 nan 8.210 nan 0.000 0.516 120 S N 6.663 122.413 115.700 0.084 0.000 2.474 120 S HA 0.706 5.176 4.470 -0.000 0.000 0.321 120 S C -0.423 174.206 174.600 0.048 0.000 1.080 120 S CA -0.600 57.613 58.200 0.022 0.000 1.106 120 S CB 0.585 63.794 63.200 0.015 0.000 0.984 120 S HN 0.442 nan 8.310 nan 0.000 0.464 121 V N 2.806 122.717 119.914 -0.006 0.000 3.156 121 V HA 0.748 4.868 4.120 -0.000 0.000 0.311 121 V C -0.948 175.154 176.094 0.014 0.000 1.208 121 V CA -1.205 61.108 62.300 0.022 0.000 1.063 121 V CB 1.950 33.758 31.823 -0.024 0.000 1.098 121 V HN 0.701 nan 8.190 nan 0.000 0.452 122 N N 1.153 119.903 118.700 0.082 0.000 2.372 122 N HA 0.565 5.305 4.740 -0.000 0.000 0.291 122 N C -1.894 173.752 175.510 0.228 0.000 1.024 122 N CA -0.109 53.008 53.050 0.111 0.000 0.873 122 N CB 1.756 40.307 38.487 0.106 0.000 1.206 122 N HN 0.900 nan 8.380 nan 0.000 0.486 123 Y N 2.371 122.695 120.300 0.040 0.000 2.362 123 Y HA 0.266 4.815 4.550 -0.000 0.000 0.326 123 Y C -0.037 175.907 175.900 0.073 0.000 1.083 123 Y CA -1.100 57.066 58.100 0.110 0.000 1.073 123 Y CB 0.540 39.051 38.460 0.085 0.000 1.211 123 Y HN 0.523 nan 8.280 nan 0.000 0.433 124 L N 6.111 127.342 121.223 0.014 0.000 3.678 124 L HA -0.273 4.067 4.340 -0.000 0.000 0.425 124 L C 1.066 177.904 176.870 -0.055 0.000 1.240 124 L CA 1.143 55.910 54.840 -0.123 0.000 0.876 124 L CB -1.697 40.149 42.059 -0.356 0.000 1.766 124 L HN 1.212 nan 8.230 nan 0.000 0.917 125 G N -0.901 107.907 108.800 0.012 0.000 2.153 125 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 125 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 125 G C 0.094 174.993 174.900 -0.001 0.000 0.994 125 G CA 0.840 45.946 45.100 0.011 0.000 0.698 125 G HN 0.627 nan 8.290 nan 0.000 0.521 126 E N -0.873 119.326 120.200 -0.003 0.000 2.383 126 E HA 0.418 4.768 4.350 -0.000 0.000 0.275 126 E C -0.320 176.272 176.600 -0.012 0.000 0.918 126 E CA -1.058 55.330 56.400 -0.020 0.000 0.764 126 E CB 1.562 31.232 29.700 -0.050 0.000 1.252 126 E HN 0.150 nan 8.360 nan 0.000 0.449 127 K N 1.735 122.115 120.400 -0.032 0.000 2.368 127 K HA 0.164 4.484 4.320 -0.000 0.000 0.282 127 K C -0.434 176.104 176.600 -0.104 0.000 1.035 127 K CA 0.160 56.417 56.287 -0.049 0.000 0.973 127 K CB 0.614 33.084 32.500 -0.051 0.000 0.957 127 K HN 0.096 nan 8.250 nan 0.000 0.474 128 K N 2.811 123.120 120.400 -0.151 0.000 2.397 128 K HA 0.203 4.523 4.320 -0.000 0.000 0.253 128 K C -1.246 175.075 176.600 -0.465 0.000 0.932 128 K CA -0.409 55.683 56.287 -0.325 0.000 0.795 128 K CB 1.373 33.697 32.500 -0.293 0.000 1.159 128 K HN 0.416 nan 8.250 nan 0.000 0.424 129 E N 3.063 122.907 120.200 -0.592 0.000 2.191 129 E HA 0.470 4.819 4.350 -0.000 0.000 0.274 129 E C -1.010 175.098 176.600 -0.820 0.000 0.948 129 E CA -0.733 55.356 56.400 -0.518 0.000 0.802 129 E CB 1.211 30.708 29.700 -0.339 0.000 1.137 129 E HN 0.316 nan 8.360 nan 0.000 0.397 130 F N 0.754 120.555 119.950 -0.248 0.000 2.578 130 F HA 0.278 4.805 4.527 -0.001 0.000 0.311 130 F C 0.318 175.999 175.800 -0.199 0.000 1.094 130 F CA -0.933 56.923 58.000 -0.240 0.000 0.923 130 F CB 1.347 40.227 39.000 -0.200 0.000 1.230 130 F HN 0.395 nan 8.300 nan 0.000 0.450 131 H N 0.791 119.949 119.070 0.147 0.000 2.546 131 H HA 0.393 4.949 4.556 -0.000 0.000 0.365 131 H C 0.830 176.196 175.328 0.063 0.000 1.220 131 H CA 0.297 56.393 56.048 0.080 0.000 1.386 131 H CB 1.381 31.176 29.762 0.054 0.000 1.510 131 H HN 0.780 nan 8.280 nan 0.000 0.591 132 A N 1.525 124.443 122.820 0.164 0.000 1.940 132 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 132 A C 1.998 179.603 177.584 0.036 0.000 1.176 132 A CA 1.712 53.779 52.037 0.049 0.000 0.631 132 A CB -0.414 18.609 19.000 0.038 0.000 0.814 132 A HN 0.827 nan 8.150 nan 0.000 0.446 133 E N 0.410 120.655 120.200 0.076 0.000 2.268 133 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 133 E C 1.344 177.982 176.600 0.062 0.000 0.995 133 E CA 1.340 57.774 56.400 0.057 0.000 0.836 133 E CB -0.430 29.299 29.700 0.050 0.000 0.763 133 E HN 0.777 nan 8.360 nan 0.000 0.491 134 E N 0.367 120.631 120.200 0.105 0.000 2.158 134 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 134 E C 2.105 178.687 176.600 -0.030 0.000 0.982 134 E CA 0.438 56.898 56.400 0.100 0.000 0.823 134 E CB 0.108 29.957 29.700 0.247 0.000 0.766 134 E HN 0.233 nan 8.360 nan 0.000 0.468 135 I N 0.883 121.397 120.570 -0.094 0.000 2.193 135 I HA -0.177 3.993 4.170 -0.000 0.000 0.240 135 I C 2.248 178.280 176.117 -0.141 0.000 1.084 135 I CA 1.143 62.321 61.300 -0.203 0.000 1.365 135 I CB -1.099 36.749 38.000 -0.253 0.000 1.064 135 I HN -0.025 nan 8.210 nan 0.000 0.410 136 S N 1.204 116.853 115.700 -0.084 0.000 2.399 136 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 136 S C 2.214 176.791 174.600 -0.038 0.000 1.022 136 S CA 1.210 59.378 58.200 -0.054 0.000 0.983 136 S CB -0.296 62.894 63.200 -0.017 0.000 0.803 136 S HN 0.541 nan 8.310 nan 0.000 0.480 137 A N 1.459 124.265 122.820 -0.024 0.000 1.933 137 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 137 A C 2.108 179.676 177.584 -0.026 0.000 1.175 137 A CA 1.400 53.432 52.037 -0.009 0.000 0.628 137 A CB -0.573 18.438 19.000 0.017 0.000 0.814 137 A HN 0.487 nan 8.150 nan 0.000 0.444 138 M N -0.881 118.682 119.600 -0.061 0.000 2.132 138 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 138 M C 2.084 178.338 176.300 -0.076 0.000 1.065 138 M CA 1.349 56.600 55.300 -0.082 0.000 1.122 138 M CB -0.401 32.107 32.600 -0.154 0.000 1.365 138 M HN 0.252 nan 8.290 nan 0.000 0.411 139 V N 0.742 120.609 119.914 -0.079 0.000 2.307 139 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 139 V C 2.265 178.337 176.094 -0.036 0.000 1.045 139 V CA 1.573 63.836 62.300 -0.062 0.000 1.024 139 V CB -0.649 31.136 31.823 -0.063 0.000 0.651 139 V HN 0.459 nan 8.190 nan 0.000 0.449 140 L N -0.262 120.945 121.223 -0.027 0.000 2.083 140 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 140 L C 2.636 179.501 176.870 -0.009 0.000 1.083 140 L CA 1.899 56.731 54.840 -0.013 0.000 0.752 140 L CB -0.603 41.453 42.059 -0.004 0.000 0.899 140 L HN 0.420 nan 8.230 nan 0.000 0.433 141 Q N 0.702 120.495 119.800 -0.012 0.000 2.084 141 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 141 Q C 2.182 178.177 176.000 -0.008 0.000 0.978 141 Q CA 1.757 57.557 55.803 -0.005 0.000 0.844 141 Q CB 0.073 28.808 28.738 -0.004 0.000 0.898 141 Q HN 0.139 nan 8.270 nan 0.000 0.426 142 K N -0.156 120.232 120.400 -0.020 0.000 2.097 142 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 142 K C 1.892 178.484 176.600 -0.013 0.000 1.049 142 K CA 1.534 57.809 56.287 -0.020 0.000 0.933 142 K CB -0.042 32.438 32.500 -0.033 0.000 0.717 142 K HN 0.250 nan 8.250 nan 0.000 0.442 143 M N 0.582 120.174 119.600 -0.013 0.000 2.175 143 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 143 M C 2.095 178.393 176.300 -0.004 0.000 1.063 143 M CA 1.551 56.844 55.300 -0.012 0.000 1.119 143 M CB -0.795 31.798 32.600 -0.012 0.000 1.377 143 M HN 0.200 nan 8.290 nan 0.000 0.415 144 K N 0.670 121.071 120.400 0.003 0.000 2.057 144 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 144 K C 1.747 178.357 176.600 0.018 0.000 1.049 144 K CA 1.441 57.736 56.287 0.012 0.000 0.931 144 K CB 0.100 32.607 32.500 0.012 0.000 0.714 144 K HN 0.355 nan 8.250 nan 0.000 0.440 145 E N 0.914 121.122 120.200 0.013 0.000 2.031 145 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 145 E C 2.123 178.739 176.600 0.026 0.000 0.994 145 E CA 1.697 58.107 56.400 0.017 0.000 0.800 145 E CB -0.332 29.374 29.700 0.010 0.000 0.752 145 E HN 0.544 nan 8.360 nan 0.000 0.447 146 I N -0.815 119.766 120.570 0.018 0.000 2.286 146 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 146 I C 2.112 178.262 176.117 0.054 0.000 1.115 146 I CA 1.244 62.559 61.300 0.025 0.000 1.392 146 I CB -0.219 37.778 38.000 -0.004 0.000 1.065 146 I HN -0.121 nan 8.210 nan 0.000 0.418 147 S N 1.009 116.733 115.700 0.040 0.000 2.383 147 S HA -0.133 4.337 4.470 -0.000 0.000 0.227 147 S C 1.845 176.510 174.600 0.109 0.000 1.026 147 S CA 1.559 59.801 58.200 0.071 0.000 0.981 147 S CB -0.299 62.925 63.200 0.041 0.000 0.818 147 S HN 0.579 nan 8.310 nan 0.000 0.472 148 E N 1.339 121.581 120.200 0.071 0.000 2.072 148 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 148 E C 2.375 179.013 176.600 0.063 0.000 0.985 148 E CA 0.938 57.374 56.400 0.059 0.000 0.801 148 E CB -0.240 29.483 29.700 0.039 0.000 0.750 148 E HN 0.499 nan 8.360 nan 0.000 0.452 149 A N 0.786 123.649 122.820 0.071 0.000 1.877 149 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 149 A C 2.034 179.673 177.584 0.093 0.000 1.186 149 A CA 1.318 53.396 52.037 0.068 0.000 0.620 149 A CB -0.781 18.259 19.000 0.067 0.000 0.822 149 A HN 0.363 nan 8.150 nan 0.000 0.443 150 Y N 0.248 120.546 120.300 -0.003 0.000 2.181 150 Y HA -0.086 4.464 4.550 -0.000 0.000 0.288 150 Y C 1.865 177.763 175.900 -0.002 0.000 1.146 150 Y CA 1.909 60.006 58.100 -0.006 0.000 1.164 150 Y CB -0.116 38.337 38.460 -0.011 0.000 0.982 150 Y HN 0.201 nan 8.280 nan 0.000 0.515 151 L N -1.031 120.243 121.223 0.085 0.000 2.509 151 L HA 0.177 4.517 4.340 -0.000 0.000 0.222 151 L C 1.637 178.497 176.870 -0.017 0.000 1.123 151 L CA 0.629 55.477 54.840 0.015 0.000 0.856 151 L CB -0.560 41.550 42.059 0.085 0.000 0.985 151 L HN 0.416 nan 8.230 nan 0.000 0.456 152 G N 1.771 110.567 108.800 -0.007 0.000 2.221 152 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.265 152 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.265 152 G C 0.209 175.110 174.900 0.002 0.000 1.041 152 G CA 0.679 45.772 45.100 -0.011 0.000 0.807 152 G HN 0.572 nan 8.290 nan 0.000 0.502 153 R N -1.905 118.604 120.500 0.015 0.000 2.716 153 R HA 0.617 4.957 4.340 -0.000 0.000 0.271 153 R C -0.463 175.851 176.300 0.023 0.000 1.028 153 R CA -0.993 55.116 56.100 0.016 0.000 0.883 153 R CB 0.664 30.973 30.300 0.015 0.000 1.250 153 R HN 0.191 nan 8.270 nan 0.000 0.465 154 Q N 1.587 121.399 119.800 0.019 0.000 2.330 154 Q HA 0.228 4.568 4.340 -0.000 0.000 0.279 154 Q C -0.886 175.129 176.000 0.024 0.000 1.024 154 Q CA 0.260 56.075 55.803 0.020 0.000 0.900 154 Q CB 0.577 29.324 28.738 0.015 0.000 1.221 154 Q HN 0.487 nan 8.270 nan 0.000 0.396 155 I N 4.012 124.598 120.570 0.026 0.000 2.545 155 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 155 I C 0.269 176.400 176.117 0.023 0.000 1.040 155 I CA -0.459 60.858 61.300 0.029 0.000 1.068 155 I CB 2.008 40.030 38.000 0.038 0.000 1.251 155 I HN 0.716 nan 8.210 nan 0.000 0.424 156 K N 2.045 122.457 120.400 0.020 0.000 2.703 156 K HA 0.222 4.542 4.320 -0.000 0.000 0.196 156 K C -0.033 176.576 176.600 0.016 0.000 1.457 156 K CA -0.286 56.011 56.287 0.017 0.000 1.115 156 K CB 0.419 32.927 32.500 0.013 0.000 1.661 156 K HN 0.449 nan 8.250 nan 0.000 0.552 157 N N 1.956 120.665 118.700 0.015 0.000 2.468 157 N HA 0.208 4.948 4.740 -0.000 0.000 0.265 157 N C -0.745 174.777 175.510 0.020 0.000 1.199 157 N CA 0.342 53.400 53.050 0.013 0.000 0.928 157 N CB 1.286 39.776 38.487 0.005 0.000 1.059 157 N HN 0.224 nan 8.380 nan 0.000 0.467 158 A N 1.467 124.297 122.820 0.018 0.000 2.587 158 A HA 0.639 4.959 4.320 -0.000 0.000 0.293 158 A C -1.097 176.496 177.584 0.016 0.000 1.087 158 A CA -0.644 51.405 52.037 0.021 0.000 0.692 158 A CB 1.348 20.359 19.000 0.018 0.000 1.291 158 A HN 0.309 nan 8.150 nan 0.000 0.407 159 V N 1.298 121.223 119.914 0.018 0.000 2.448 159 V HA 0.544 4.664 4.120 -0.000 0.000 0.295 159 V C -0.569 175.526 176.094 0.002 0.000 1.025 159 V CA -0.442 61.863 62.300 0.009 0.000 0.859 159 V CB 1.489 33.320 31.823 0.013 0.000 0.988 159 V HN 0.700 nan 8.190 nan 0.000 0.431 160 V N 4.114 124.025 119.914 -0.005 0.000 2.495 160 V HA 0.556 4.676 4.120 -0.000 0.000 0.298 160 V C 0.404 176.479 176.094 -0.031 0.000 1.031 160 V CA -0.533 61.760 62.300 -0.013 0.000 0.871 160 V CB 2.205 34.027 31.823 -0.003 0.000 0.988 160 V HN 0.991 nan 8.190 nan 0.000 0.432 161 T N 1.899 116.422 114.554 -0.052 0.000 2.918 161 T HA 0.826 5.176 4.350 -0.000 0.000 0.283 161 T C -0.339 174.274 174.700 -0.144 0.000 1.001 161 T CA -0.551 61.495 62.100 -0.091 0.000 1.041 161 T CB 1.769 70.582 68.868 -0.092 0.000 1.028 161 T HN 1.054 nan 8.240 nan 0.000 0.511 162 V N -2.341 117.437 119.914 -0.226 0.000 3.114 162 V HA 0.756 4.876 4.120 -0.000 0.000 0.308 162 V C -3.274 172.467 176.094 -0.587 0.000 1.168 162 V CA -3.216 58.811 62.300 -0.456 0.000 1.015 162 V CB 1.482 33.108 31.823 -0.328 0.000 1.050 162 V HN 0.712 nan 8.190 nan 0.000 0.433 163 P HA 0.276 nan 4.420 nan 0.000 0.269 163 P C 0.775 177.698 177.300 -0.629 0.000 1.209 163 P CA 0.622 63.217 63.100 -0.843 0.000 0.776 163 P CB 0.950 31.829 31.700 -1.368 0.000 0.876 164 A N 3.047 125.663 122.820 -0.340 0.000 2.024 164 A HA -0.221 4.098 4.320 -0.000 0.000 0.220 164 A C 1.635 179.194 177.584 -0.042 0.000 1.164 164 A CA 1.742 53.698 52.037 -0.135 0.000 0.643 164 A CB -1.715 17.261 19.000 -0.040 0.000 0.806 164 A HN 0.760 nan 8.150 nan 0.000 0.451 165 Y N -3.568 116.758 120.300 0.043 0.000 2.583 165 Y HA 0.408 4.958 4.550 0.000 0.000 0.293 165 Y C 0.240 176.274 175.900 0.223 0.000 1.157 165 Y CA -1.570 56.592 58.100 0.103 0.000 1.315 165 Y CB -0.751 37.756 38.460 0.078 0.000 1.021 165 Y HN 0.071 nan 8.280 nan 0.000 0.536 166 F N 4.211 124.016 119.950 -0.242 0.000 2.578 166 F HA 0.073 4.599 4.527 -0.001 0.000 0.376 166 F C 0.782 176.573 175.800 -0.016 0.000 1.085 166 F CA -1.052 56.881 58.000 -0.112 0.000 1.260 166 F CB -0.103 38.793 39.000 -0.174 0.000 1.095 166 F HN 0.316 nan 8.300 nan 0.000 0.573 167 N N 1.450 120.195 118.700 0.075 0.000 2.366 167 N HA 0.073 4.813 4.740 -0.000 0.000 0.277 167 N C 0.472 175.993 175.510 0.018 0.000 1.275 167 N CA -0.349 52.725 53.050 0.039 0.000 0.964 167 N CB 0.238 38.730 38.487 0.008 0.000 1.167 167 N HN 0.359 nan 8.380 nan 0.000 0.568 168 D N -1.006 119.401 120.400 0.012 0.000 2.144 168 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 168 D C 1.577 177.871 176.300 -0.011 0.000 0.984 168 D CA 1.150 55.155 54.000 0.009 0.000 0.834 168 D CB -0.458 40.347 40.800 0.009 0.000 0.955 168 D HN 0.558 nan 8.370 nan 0.000 0.465 169 S N 0.016 115.695 115.700 -0.034 0.000 2.368 169 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 169 S C 1.849 176.399 174.600 -0.083 0.000 1.029 169 S CA 1.150 59.318 58.200 -0.053 0.000 0.988 169 S CB -0.023 63.142 63.200 -0.058 0.000 0.838 169 S HN 0.228 nan 8.310 nan 0.000 0.462 170 Q N 0.032 119.740 119.800 -0.154 0.000 2.119 170 Q HA -0.011 4.329 4.340 -0.000 0.000 0.201 170 Q C 2.518 178.490 176.000 -0.046 0.000 0.972 170 Q CA 1.142 56.776 55.803 -0.280 0.000 0.847 170 Q CB -0.116 28.126 28.738 -0.827 0.000 0.903 170 Q HN 0.475 nan 8.270 nan 0.000 0.433 171 R N 0.217 120.742 120.500 0.043 0.000 2.066 171 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 171 R C 2.326 178.657 176.300 0.050 0.000 1.131 171 R CA 1.465 57.624 56.100 0.098 0.000 0.955 171 R CB -0.130 30.217 30.300 0.078 0.000 0.851 171 R HN 0.120 nan 8.270 nan 0.000 0.432 172 Q N 0.617 120.427 119.800 0.018 0.000 2.084 172 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 172 Q C 1.834 177.838 176.000 0.005 0.000 0.978 172 Q CA 2.021 57.829 55.803 0.008 0.000 0.844 172 Q CB -0.205 28.531 28.738 -0.004 0.000 0.898 172 Q HN 0.340 nan 8.270 nan 0.000 0.426 173 A N -0.904 121.912 122.820 -0.006 0.000 1.969 173 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 173 A C 2.222 179.819 177.584 0.021 0.000 1.169 173 A CA 1.778 53.810 52.037 -0.007 0.000 0.635 173 A CB -0.802 18.179 19.000 -0.031 0.000 0.810 173 A HN 0.483 nan 8.150 nan 0.000 0.445 174 T N -0.446 114.136 114.554 0.048 0.000 2.777 174 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 174 T C 1.968 176.693 174.700 0.041 0.000 1.040 174 T CA 1.502 63.642 62.100 0.066 0.000 1.141 174 T CB -0.121 68.817 68.868 0.117 0.000 0.868 174 T HN 0.557 nan 8.240 nan 0.000 0.444 175 K N 0.772 121.192 120.400 0.034 0.000 2.057 175 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 175 K C 1.725 178.338 176.600 0.021 0.000 1.049 175 K CA 1.499 57.800 56.287 0.024 0.000 0.931 175 K CB -0.088 32.425 32.500 0.020 0.000 0.714 175 K HN 0.166 nan 8.250 nan 0.000 0.440 176 D N 0.446 120.858 120.400 0.020 0.000 2.117 176 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 176 D C 1.744 178.061 176.300 0.029 0.000 0.987 176 D CA 1.276 55.289 54.000 0.021 0.000 0.829 176 D CB -0.221 40.588 40.800 0.015 0.000 0.961 176 D HN 0.321 nan 8.370 nan 0.000 0.460 177 A N 0.784 123.622 122.820 0.029 0.000 1.940 177 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 177 A C 2.375 179.972 177.584 0.023 0.000 1.176 177 A CA 2.171 54.225 52.037 0.028 0.000 0.631 177 A CB -1.093 17.922 19.000 0.025 0.000 0.814 177 A HN 0.313 nan 8.150 nan 0.000 0.446 178 G N -0.577 108.236 108.800 0.021 0.000 2.421 178 G HA2 0.009 3.969 3.960 -0.000 0.000 0.216 178 G HA3 0.009 3.969 3.960 -0.000 0.000 0.216 178 G C 1.781 176.693 174.900 0.019 0.000 1.171 178 G CA 1.477 46.587 45.100 0.017 0.000 0.775 178 G HN 0.811 nan 8.290 nan 0.000 0.543 179 A N 0.827 123.659 122.820 0.021 0.000 1.902 179 A HA 0.010 4.329 4.320 -0.000 0.000 0.217 179 A C 2.398 179.998 177.584 0.027 0.000 1.181 179 A CA 1.424 53.474 52.037 0.022 0.000 0.623 179 A CB -0.400 18.613 19.000 0.021 0.000 0.818 179 A HN 0.386 nan 8.150 nan 0.000 0.443 180 I N -0.227 120.362 120.570 0.033 0.000 2.361 180 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 180 I C 2.605 178.744 176.117 0.035 0.000 1.133 180 I CA 1.058 62.383 61.300 0.041 0.000 1.413 180 I CB -0.165 37.868 38.000 0.055 0.000 1.073 180 I HN 0.328 nan 8.210 nan 0.000 0.424 181 A N 0.299 123.135 122.820 0.026 0.000 2.238 181 A HA 0.306 4.626 4.320 -0.000 0.000 0.208 181 A C 1.859 179.456 177.584 0.020 0.000 1.177 181 A CA 0.756 52.805 52.037 0.020 0.000 0.804 181 A CB -0.651 18.357 19.000 0.012 0.000 0.823 181 A HN 0.573 nan 8.150 nan 0.000 0.482 182 G N -1.315 107.498 108.800 0.022 0.000 2.136 182 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.242 182 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.242 182 G C -0.025 174.886 174.900 0.017 0.000 0.989 182 G CA 0.296 45.408 45.100 0.020 0.000 0.682 182 G HN 0.436 nan 8.290 nan 0.000 0.522 183 L N 0.160 121.393 121.223 0.017 0.000 2.325 183 L HA 0.476 4.816 4.340 -0.000 0.000 0.279 183 L C 0.497 177.375 176.870 0.014 0.000 1.054 183 L CA -1.094 53.755 54.840 0.015 0.000 0.804 183 L CB 1.363 43.431 42.059 0.014 0.000 1.200 183 L HN 0.166 nan 8.230 nan 0.000 0.436 184 N N 1.964 120.672 118.700 0.013 0.000 2.469 184 N HA 0.169 4.909 4.740 -0.000 0.000 0.239 184 N C -0.940 174.576 175.510 0.010 0.000 1.053 184 N CA -0.404 52.653 53.050 0.011 0.000 0.937 184 N CB 0.906 39.398 38.487 0.008 0.000 1.163 184 N HN 0.279 nan 8.380 nan 0.000 0.509 185 V N 6.105 126.026 119.914 0.011 0.000 2.364 185 V HA 0.026 4.146 4.120 -0.000 0.000 0.252 185 V C 1.712 177.810 176.094 0.008 0.000 1.075 185 V CA 0.027 62.334 62.300 0.010 0.000 1.033 185 V CB -0.182 31.648 31.823 0.012 0.000 1.116 185 V HN 0.771 nan 8.190 nan 0.000 0.488 186 M N 2.897 122.501 119.600 0.007 0.000 2.175 186 M HA 0.023 4.503 4.480 -0.000 0.000 0.264 186 M C 1.109 177.412 176.300 0.005 0.000 1.063 186 M CA 1.613 56.915 55.300 0.004 0.000 1.119 186 M CB 0.052 32.652 32.600 0.002 0.000 1.377 186 M HN 0.549 nan 8.290 nan 0.000 0.415 187 R N -0.138 120.365 120.500 0.004 0.000 2.634 187 R HA 0.396 4.736 4.340 -0.000 0.000 0.263 187 R C -1.934 174.366 176.300 -0.000 0.000 1.060 187 R CA -0.535 55.567 56.100 0.003 0.000 0.898 187 R CB 1.851 32.151 30.300 0.001 0.000 1.253 187 R HN -0.034 nan 8.270 nan 0.000 0.461 188 I N 6.054 126.624 120.570 0.000 0.000 2.312 188 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 188 I C 0.384 176.489 176.117 -0.019 0.000 1.008 188 I CA -0.437 60.860 61.300 -0.005 0.000 1.226 188 I CB 0.940 38.947 38.000 0.012 0.000 1.371 188 I HN 0.550 nan 8.210 nan 0.000 0.468 189 I N 4.223 124.769 120.570 -0.041 0.000 2.797 189 I HA 0.581 4.751 4.170 -0.000 0.000 0.307 189 I C -0.160 175.901 176.117 -0.093 0.000 1.033 189 I CA -0.924 60.338 61.300 -0.063 0.000 1.071 189 I CB 1.887 39.842 38.000 -0.074 0.000 1.255 189 I HN 0.269 nan 8.210 nan 0.000 0.445 190 N N 3.251 121.888 118.700 -0.106 0.000 2.513 190 N HA 0.079 4.819 4.740 -0.000 0.000 0.268 190 N C 0.503 175.929 175.510 -0.141 0.000 1.180 190 N CA -0.009 52.961 53.050 -0.133 0.000 0.948 190 N CB 1.272 39.696 38.487 -0.105 0.000 1.083 190 N HN 0.713 nan 8.380 nan 0.000 0.455 191 E N 2.191 122.293 120.200 -0.162 0.000 2.058 191 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 191 E C -0.768 175.776 176.600 -0.093 0.000 0.997 191 E CA 1.283 57.604 56.400 -0.131 0.000 0.801 191 E CB -0.549 29.057 29.700 -0.156 0.000 0.746 191 E HN 0.587 nan 8.360 nan 0.000 0.450 192 P HA -0.119 nan 4.420 nan 0.000 0.218 192 P C 1.129 178.396 177.300 -0.054 0.000 1.149 192 P CA 1.406 64.480 63.100 -0.044 0.000 0.817 192 P CB -0.003 31.681 31.700 -0.028 0.000 0.785 193 T N 0.198 114.677 114.554 -0.125 0.000 2.777 193 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 193 T C 2.099 176.610 174.700 -0.315 0.000 1.040 193 T CA 1.606 63.525 62.100 -0.301 0.000 1.141 193 T CB -0.801 67.849 68.868 -0.364 0.000 0.868 193 T HN 0.078 nan 8.240 nan 0.000 0.444 194 A N 1.603 124.316 122.820 -0.178 0.000 1.902 194 A HA 0.114 4.433 4.320 -0.000 0.000 0.217 194 A C 2.656 180.224 177.584 -0.027 0.000 1.181 194 A CA 1.887 53.863 52.037 -0.101 0.000 0.623 194 A CB -1.150 17.812 19.000 -0.064 0.000 0.818 194 A HN 0.506 nan 8.150 nan 0.000 0.443 195 A N -0.240 122.581 122.820 0.001 0.000 1.933 195 A HA 0.155 4.475 4.320 -0.000 0.000 0.218 195 A C 2.490 180.170 177.584 0.159 0.000 1.175 195 A CA 2.109 54.196 52.037 0.084 0.000 0.628 195 A CB -0.957 18.096 19.000 0.088 0.000 0.814 195 A HN 1.059 nan 8.150 nan 0.000 0.444 196 A N -0.109 122.775 122.820 0.107 0.000 1.898 196 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 196 A C 2.105 179.832 177.584 0.238 0.000 1.181 196 A CA 1.443 53.603 52.037 0.205 0.000 0.620 196 A CB -0.574 18.600 19.000 0.291 0.000 0.819 196 A HN 0.491 nan 8.150 nan 0.000 0.442 197 I N -0.151 120.475 120.570 0.094 0.000 2.226 197 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 197 I C 2.967 179.176 176.117 0.152 0.000 1.100 197 I CA 0.988 62.367 61.300 0.130 0.000 1.374 197 I CB -0.349 37.650 38.000 -0.002 0.000 1.057 197 I HN 0.357 nan 8.210 nan 0.000 0.413 198 A N 0.179 123.060 122.820 0.101 0.000 1.948 198 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 198 A C 1.953 179.378 177.584 -0.264 0.000 1.177 198 A CA 1.726 53.738 52.037 -0.042 0.000 0.636 198 A CB -0.989 17.884 19.000 -0.213 0.000 0.815 198 A HN 0.510 nan 8.150 nan 0.000 0.449 199 Y N -0.638 119.631 120.300 -0.051 0.000 2.490 199 Y HA 0.332 4.882 4.550 0.000 0.000 0.281 199 Y C 1.756 177.669 175.900 0.023 0.000 1.174 199 Y CA 0.250 58.322 58.100 -0.048 0.000 1.295 199 Y CB -0.118 38.317 38.460 -0.041 0.000 1.062 199 Y HN 0.446 nan 8.280 nan 0.000 0.522 200 G N 0.884 109.792 108.800 0.180 0.000 2.305 200 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.287 200 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.287 200 G C 0.830 175.824 174.900 0.157 0.000 1.036 200 G CA 0.586 45.786 45.100 0.167 0.000 0.887 200 G HN 0.509 nan 8.290 nan 0.000 0.505 201 L N 0.103 121.443 121.223 0.195 0.000 2.456 201 L HA 0.043 4.383 4.340 -0.000 0.000 0.224 201 L C 1.991 178.897 176.870 0.060 0.000 1.148 201 L CA 1.239 56.160 54.840 0.136 0.000 0.825 201 L CB -0.217 41.939 42.059 0.163 0.000 0.937 201 L HN 0.462 nan 8.230 nan 0.000 0.450 202 D N -0.519 119.930 120.400 0.082 0.000 2.352 202 D HA -0.040 4.600 4.640 -0.000 0.000 0.236 202 D C 0.871 177.159 176.300 -0.020 0.000 1.148 202 D CA 0.192 54.148 54.000 -0.072 0.000 0.844 202 D CB 0.178 40.970 40.800 -0.012 0.000 0.933 202 D HN 0.268 nan 8.370 nan 0.000 0.507 203 K N -0.738 119.667 120.400 0.009 0.000 2.612 203 K HA 0.113 4.433 4.320 -0.000 0.000 0.199 203 K C 1.427 178.029 176.600 0.004 0.000 1.520 203 K CA -0.361 55.932 56.287 0.011 0.000 1.039 203 K CB 0.845 33.370 32.500 0.042 0.000 1.286 203 K HN -0.179 nan 8.250 nan 0.000 0.622 204 K N 0.928 121.326 120.400 -0.003 0.000 2.025 204 K HA -0.010 4.309 4.320 -0.000 0.000 0.207 204 K C 1.218 177.797 176.600 -0.035 0.000 1.049 204 K CA 1.653 57.934 56.287 -0.010 0.000 0.933 204 K CB 0.179 32.677 32.500 -0.003 0.000 0.714 204 K HN 0.241 nan 8.250 nan 0.000 0.438 205 G N -1.088 107.674 108.800 -0.063 0.000 3.195 205 G HA2 0.518 4.478 3.960 -0.000 0.000 0.217 205 G HA3 0.518 4.478 3.960 -0.000 0.000 0.217 205 G C -0.936 173.920 174.900 -0.073 0.000 1.166 205 G CA 0.120 45.173 45.100 -0.077 0.000 0.812 205 G HN 0.260 nan 8.290 nan 0.000 0.617 206 T N -1.730 112.774 114.554 -0.083 0.000 2.940 206 T HA 0.758 5.107 4.350 -0.000 0.000 0.288 206 T C 0.978 175.629 174.700 -0.080 0.000 1.033 206 T CA 0.502 62.562 62.100 -0.067 0.000 1.033 206 T CB 0.954 69.792 68.868 -0.051 0.000 1.079 206 T HN 2.271 nan 8.240 nan 0.000 0.496 207 G N 0.615 109.380 108.800 -0.059 0.000 2.564 207 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.273 207 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.273 207 G C 0.088 174.953 174.900 -0.059 0.000 1.242 207 G CA 0.310 45.380 45.100 -0.050 0.000 0.951 207 G HN 1.087 nan 8.290 nan 0.000 0.564 208 E N 0.276 120.455 120.200 -0.034 0.000 2.289 208 E HA 0.492 4.842 4.350 -0.000 0.000 0.278 208 E C 0.468 177.070 176.600 0.004 0.000 1.032 208 E CA -0.428 55.968 56.400 -0.008 0.000 0.854 208 E CB 0.459 30.178 29.700 0.032 0.000 1.046 208 E HN 0.566 nan 8.360 nan 0.000 0.409 209 R N 3.638 124.150 120.500 0.020 0.000 2.437 209 R HA 0.276 4.616 4.340 -0.000 0.000 0.310 209 R C -1.150 175.279 176.300 0.215 0.000 0.955 209 R CA -0.645 55.521 56.100 0.111 0.000 0.851 209 R CB 0.729 31.019 30.300 -0.016 0.000 1.161 209 R HN 0.451 nan 8.270 nan 0.000 0.446 210 N N 3.516 122.451 118.700 0.392 0.000 2.425 210 N HA 0.267 5.007 4.740 -0.000 0.000 0.268 210 N C -1.258 174.297 175.510 0.075 0.000 0.991 210 N CA -0.330 52.787 53.050 0.111 0.000 0.931 210 N CB 2.130 40.583 38.487 -0.056 0.000 1.130 210 N HN 0.207 nan 8.380 nan 0.000 0.493 211 V N 2.761 122.716 119.914 0.067 0.000 2.487 211 V HA 0.404 4.524 4.120 -0.000 0.000 0.298 211 V C -0.111 176.008 176.094 0.041 0.000 1.028 211 V CA -0.888 61.440 62.300 0.047 0.000 0.860 211 V CB 2.127 34.000 31.823 0.084 0.000 0.991 211 V HN 0.481 nan 8.190 nan 0.000 0.427 212 L N 5.947 127.173 121.223 0.004 0.000 2.287 212 L HA 0.610 4.950 4.340 -0.000 0.000 0.287 212 L C -0.758 176.137 176.870 0.041 0.000 1.022 212 L CA -0.265 54.602 54.840 0.045 0.000 0.814 212 L CB 0.948 43.062 42.059 0.092 0.000 1.217 212 L HN 0.456 nan 8.230 nan 0.000 0.420 213 I N 5.661 126.270 120.570 0.065 0.000 2.312 213 I HA 0.182 4.352 4.170 -0.000 0.000 0.290 213 I C -0.600 175.586 176.117 0.115 0.000 1.008 213 I CA -0.129 61.213 61.300 0.070 0.000 1.226 213 I CB 0.869 38.891 38.000 0.035 0.000 1.371 213 I HN 0.548 nan 8.210 nan 0.000 0.468 214 F N 6.460 126.424 119.950 0.024 0.000 2.308 214 F HA 0.340 4.867 4.527 -0.000 0.000 0.370 214 F C -0.101 175.766 175.800 0.112 0.000 1.100 214 F CA -0.403 57.651 58.000 0.090 0.000 1.108 214 F CB 0.526 39.615 39.000 0.148 0.000 1.293 214 F HN 0.377 nan 8.300 nan 0.000 0.478 215 D N 6.764 127.125 120.400 -0.065 0.000 2.453 215 D HA 0.250 4.890 4.640 -0.000 0.000 0.238 215 D C -1.661 174.692 176.300 0.088 0.000 1.088 215 D CA -0.305 53.712 54.000 0.028 0.000 0.854 215 D CB 1.386 42.173 40.800 -0.022 0.000 1.076 215 D HN 0.516 nan 8.370 nan 0.000 0.533 216 L N 4.507 125.856 121.223 0.209 0.000 2.353 216 L HA 0.703 5.043 4.340 -0.000 0.000 0.270 216 L C 0.330 177.295 176.870 0.159 0.000 1.003 216 L CA -0.247 54.739 54.840 0.244 0.000 0.862 216 L CB 1.334 43.553 42.059 0.267 0.000 1.221 216 L HN 0.407 nan 8.230 nan 0.000 0.430 217 G N 2.162 111.027 108.800 0.108 0.000 2.945 217 G HA2 0.420 4.380 3.960 -0.000 0.000 0.156 217 G HA3 0.420 4.380 3.960 -0.000 0.000 0.156 217 G C 0.662 175.591 174.900 0.049 0.000 1.375 217 G CA 0.031 45.179 45.100 0.079 0.000 1.039 217 G HN 0.658 nan 8.290 nan 0.000 0.586 218 G N -0.981 107.871 108.800 0.087 0.000 2.411 218 G HA2 0.295 4.255 3.960 -0.000 0.000 0.213 218 G HA3 0.295 4.255 3.960 -0.000 0.000 0.213 218 G C 1.271 176.177 174.900 0.010 0.000 1.166 218 G CA 1.518 46.671 45.100 0.088 0.000 0.802 218 G HN 1.024 nan 8.290 nan 0.000 0.533 219 G N -0.944 107.875 108.800 0.032 0.000 2.815 219 G HA2 0.369 4.329 3.960 -0.000 0.000 0.215 219 G HA3 0.369 4.329 3.960 -0.000 0.000 0.215 219 G C 0.559 175.447 174.900 -0.020 0.000 1.054 219 G CA 1.022 46.127 45.100 0.008 0.000 0.832 219 G HN 0.724 nan 8.290 nan 0.000 0.557 220 T N -2.377 112.185 114.554 0.013 0.000 2.916 220 T HA 0.699 5.049 4.350 -0.000 0.000 0.292 220 T C -1.626 173.142 174.700 0.113 0.000 1.064 220 T CA -0.989 61.131 62.100 0.034 0.000 1.011 220 T CB 2.695 71.587 68.868 0.040 0.000 1.152 220 T HN 0.109 nan 8.240 nan 0.000 0.510 221 F N 1.481 121.385 119.950 -0.077 0.000 2.539 221 F HA 0.592 5.119 4.527 0.000 0.000 0.328 221 F C -1.649 174.087 175.800 -0.107 0.000 1.148 221 F CA -1.387 56.544 58.000 -0.116 0.000 0.940 221 F CB 1.380 40.308 39.000 -0.120 0.000 1.194 221 F HN 0.609 nan 8.300 nan 0.000 0.438 222 D N 5.533 125.608 120.400 -0.542 0.000 2.629 222 D HA 0.465 5.105 4.640 -0.000 0.000 0.250 222 D C -1.119 174.802 176.300 -0.633 0.000 1.126 222 D CA -0.148 53.563 54.000 -0.481 0.000 0.852 222 D CB 2.957 43.671 40.800 -0.144 0.000 1.335 222 D HN 0.236 nan 8.370 nan 0.000 0.518 223 V N 1.812 121.382 119.914 -0.572 0.000 2.448 223 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 223 V C -0.176 175.828 176.094 -0.151 0.000 1.025 223 V CA -0.385 61.694 62.300 -0.368 0.000 0.859 223 V CB 1.778 33.380 31.823 -0.368 0.000 0.988 223 V HN 0.491 nan 8.190 nan 0.000 0.431 224 S N 5.018 120.682 115.700 -0.060 0.000 2.536 224 S HA 0.734 5.203 4.470 -0.000 0.000 0.287 224 S C -1.012 173.609 174.600 0.035 0.000 1.101 224 S CA -0.513 57.683 58.200 -0.006 0.000 0.950 224 S CB 1.987 65.183 63.200 -0.005 0.000 1.056 224 S HN 0.561 nan 8.310 nan 0.000 0.481 225 L N 4.056 125.309 121.223 0.049 0.000 2.319 225 L HA 0.658 4.998 4.340 -0.000 0.000 0.281 225 L C -1.457 175.456 176.870 0.072 0.000 1.005 225 L CA -0.330 54.550 54.840 0.068 0.000 0.828 225 L CB 0.474 42.577 42.059 0.074 0.000 1.227 225 L HN 0.642 nan 8.230 nan 0.000 0.415 226 L N 3.056 124.331 121.223 0.086 0.000 2.319 226 L HA 0.748 5.088 4.340 -0.000 0.000 0.267 226 L C -0.102 176.826 176.870 0.097 0.000 1.011 226 L CA -0.735 54.171 54.840 0.111 0.000 0.818 226 L CB 1.975 44.138 42.059 0.175 0.000 1.316 226 L HN 0.390 nan 8.230 nan 0.000 0.432 227 T N 2.072 116.679 114.554 0.088 0.000 2.824 227 T HA 0.712 5.062 4.350 -0.000 0.000 0.282 227 T C -0.518 174.180 174.700 -0.005 0.000 0.993 227 T CA -0.273 61.857 62.100 0.050 0.000 0.967 227 T CB 1.280 70.174 68.868 0.044 0.000 0.960 227 T HN 0.330 nan 8.240 nan 0.000 0.441 228 I N 2.538 123.065 120.570 -0.072 0.000 2.465 228 I HA 0.553 4.723 4.170 -0.000 0.000 0.291 228 I C -0.095 175.927 176.117 -0.159 0.000 1.014 228 I CA -0.678 60.479 61.300 -0.239 0.000 1.093 228 I CB 2.043 39.795 38.000 -0.414 0.000 1.267 228 I HN 0.454 nan 8.210 nan 0.000 0.431 229 E N 5.503 125.604 120.200 -0.164 0.000 2.294 229 E HA 0.146 4.496 4.350 -0.000 0.000 0.272 229 E C -1.328 175.210 176.600 -0.104 0.000 0.896 229 E CA -0.438 55.900 56.400 -0.103 0.000 0.802 229 E CB 1.244 30.911 29.700 -0.055 0.000 1.267 229 E HN 0.664 nan 8.360 nan 0.000 0.406 230 D N 3.086 123.431 120.400 -0.092 0.000 2.708 230 D HA -0.220 4.420 4.640 -0.000 0.000 0.236 230 D C 0.739 176.993 176.300 -0.078 0.000 1.146 230 D CA 1.613 55.572 54.000 -0.068 0.000 0.662 230 D CB -1.093 39.683 40.800 -0.040 0.000 1.059 230 D HN 1.010 nan 8.370 nan 0.000 0.428 231 G N -0.670 108.047 108.800 -0.139 0.000 2.184 231 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.264 231 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.264 231 G C 0.417 175.218 174.900 -0.166 0.000 0.975 231 G CA 0.372 45.384 45.100 -0.148 0.000 0.642 231 G HN 0.550 nan 8.290 nan 0.000 0.536 232 I N 0.988 121.459 120.570 -0.164 0.000 2.315 232 I HA 0.479 4.648 4.170 -0.000 0.000 0.291 232 I C 0.125 176.153 176.117 -0.148 0.000 1.006 232 I CA -0.830 60.433 61.300 -0.061 0.000 1.265 232 I CB 0.620 38.615 38.000 -0.008 0.000 1.387 232 I HN -0.035 nan 8.210 nan 0.000 0.475 233 F N 4.822 124.788 119.950 0.027 0.000 2.385 233 F HA 0.418 4.945 4.527 -0.000 0.000 0.336 233 F C 0.539 176.355 175.800 0.026 0.000 1.100 233 F CA -0.351 57.666 58.000 0.029 0.000 1.116 233 F CB 1.025 40.042 39.000 0.029 0.000 1.166 233 F HN 0.430 nan 8.300 nan 0.000 0.511 234 E N 2.188 122.502 120.200 0.190 0.000 2.260 234 E HA 0.375 4.725 4.350 -0.000 0.000 0.266 234 E C -1.661 175.009 176.600 0.116 0.000 0.887 234 E CA -0.618 55.856 56.400 0.124 0.000 0.777 234 E CB 1.972 31.717 29.700 0.075 0.000 1.205 234 E HN 0.387 nan 8.360 nan 0.000 0.414 235 V N 6.272 126.244 119.914 0.097 0.000 2.405 235 V HA 0.076 4.196 4.120 -0.000 0.000 0.264 235 V C 1.183 177.315 176.094 0.065 0.000 1.048 235 V CA -0.008 62.338 62.300 0.078 0.000 0.966 235 V CB 0.843 32.701 31.823 0.059 0.000 1.015 235 V HN 0.650 nan 8.190 nan 0.000 0.477 236 K N 3.445 123.883 120.400 0.062 0.000 2.128 236 K HA 0.362 4.682 4.320 -0.000 0.000 0.202 236 K C 0.606 177.234 176.600 0.048 0.000 1.050 236 K CA 1.088 57.407 56.287 0.053 0.000 0.966 236 K CB 0.497 33.029 32.500 0.053 0.000 0.759 236 K HN 0.716 nan 8.250 nan 0.000 0.454 237 A N 1.109 123.957 122.820 0.047 0.000 2.574 237 A HA 0.509 4.829 4.320 -0.000 0.000 0.297 237 A C -0.870 176.735 177.584 0.034 0.000 1.062 237 A CA -0.596 51.465 52.037 0.040 0.000 0.686 237 A CB 1.561 20.584 19.000 0.039 0.000 1.285 237 A HN 0.135 nan 8.150 nan 0.000 0.403 238 T N -1.169 113.401 114.554 0.026 0.000 2.912 238 T HA 0.942 5.292 4.350 -0.000 0.000 0.299 238 T C -0.474 174.212 174.700 -0.023 0.000 1.052 238 T CA -0.014 62.093 62.100 0.012 0.000 0.996 238 T CB 1.616 70.523 68.868 0.065 0.000 1.070 238 T HN 2.403 nan 8.240 nan 0.000 0.465 239 A N 0.822 123.594 122.820 -0.079 0.000 2.610 239 A HA 1.069 5.389 4.320 -0.000 0.000 0.291 239 A C 0.037 177.487 177.584 -0.224 0.000 1.086 239 A CA -0.234 51.734 52.037 -0.115 0.000 0.677 239 A CB 1.220 20.175 19.000 -0.076 0.000 1.278 239 A HN 2.225 nan 8.150 nan 0.000 0.414 240 G N -0.423 108.260 108.800 -0.194 0.000 2.368 240 G HA2 0.480 4.440 3.960 -0.000 0.000 0.269 240 G HA3 0.480 4.440 3.960 -0.000 0.000 0.269 240 G C -2.400 172.467 174.900 -0.054 0.000 1.291 240 G CA 0.230 45.187 45.100 -0.239 0.000 0.903 240 G HN 1.081 nan 8.290 nan 0.000 0.483 241 D N -0.381 120.034 120.400 0.026 0.000 2.763 241 D HA 0.487 5.127 4.640 -0.000 0.000 0.235 241 D C 1.414 177.720 176.300 0.010 0.000 1.334 241 D CA 0.360 54.397 54.000 0.061 0.000 0.950 241 D CB 1.548 42.444 40.800 0.160 0.000 1.433 241 D HN 0.604 nan 8.370 nan 0.000 0.580 242 T N 0.356 114.854 114.554 -0.092 0.000 3.113 242 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 242 T C 0.616 175.042 174.700 -0.457 0.000 1.143 242 T CA 0.898 62.861 62.100 -0.229 0.000 1.090 242 T CB -0.313 68.393 68.868 -0.270 0.000 0.922 242 T HN 0.433 nan 8.240 nan 0.000 0.521 243 H N -0.096 118.976 119.070 0.003 0.000 2.587 243 H HA 0.612 5.168 4.556 0.000 0.000 0.245 243 H C -1.023 174.262 175.328 -0.071 0.000 1.238 243 H CA -0.689 55.339 56.048 -0.033 0.000 0.963 243 H CB 0.493 30.224 29.762 -0.050 0.000 1.904 243 H HN 0.154 nan 8.280 nan 0.000 0.584 244 L N 0.794 122.001 121.223 -0.026 0.000 2.491 244 L HA 0.732 5.072 4.340 -0.000 0.000 0.267 244 L C -0.371 176.387 176.870 -0.188 0.000 0.971 244 L CA -0.079 54.678 54.840 -0.139 0.000 0.857 244 L CB 1.123 43.165 42.059 -0.028 0.000 1.226 244 L HN 0.313 nan 8.230 nan 0.000 0.408 245 G N 1.735 110.277 108.800 -0.431 0.000 2.554 245 G HA2 0.426 4.385 3.960 -0.000 0.000 0.306 245 G HA3 0.426 4.385 3.960 -0.000 0.000 0.306 245 G C 0.342 174.664 174.900 -0.963 0.000 1.320 245 G CA -0.099 44.718 45.100 -0.472 0.000 0.800 245 G HN 0.750 nan 8.290 nan 0.000 0.481 246 G N -0.362 108.093 108.800 -0.577 0.000 2.475 246 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.220 246 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.220 246 G C 1.285 176.041 174.900 -0.241 0.000 1.125 246 G CA 1.688 46.557 45.100 -0.384 0.000 0.755 246 G HN 0.482 nan 8.290 nan 0.000 0.565 247 E N 1.143 121.231 120.200 -0.187 0.000 2.077 247 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 247 E C 2.115 178.667 176.600 -0.081 0.000 0.989 247 E CA 1.011 57.371 56.400 -0.067 0.000 0.800 247 E CB -0.275 29.415 29.700 -0.017 0.000 0.746 247 E HN 0.459 nan 8.360 nan 0.000 0.452 248 D N -0.080 120.171 120.400 -0.248 0.000 2.178 248 D HA -0.116 4.524 4.640 -0.000 0.000 0.202 248 D C 1.774 178.122 176.300 0.080 0.000 0.974 248 D CA 0.638 54.523 54.000 -0.191 0.000 0.841 248 D CB -0.144 40.336 40.800 -0.534 0.000 0.953 248 D HN 0.173 nan 8.370 nan 0.000 0.478 249 F N 1.796 121.799 119.950 0.088 0.000 2.163 249 F HA -0.049 4.478 4.527 0.000 0.000 0.297 249 F C 2.148 178.130 175.800 0.302 0.000 1.094 249 F CA 0.303 58.459 58.000 0.260 0.000 1.290 249 F CB -1.039 38.220 39.000 0.433 0.000 1.017 249 F HN -0.167 nan 8.300 nan 0.000 0.483 250 D N 0.284 120.891 120.400 0.344 0.000 2.104 250 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 250 D C 1.937 178.359 176.300 0.203 0.000 0.994 250 D CA 1.108 55.248 54.000 0.233 0.000 0.830 250 D CB -0.559 40.321 40.800 0.134 0.000 0.959 250 D HN 0.116 nan 8.370 nan 0.000 0.452 251 N N 0.664 119.468 118.700 0.174 0.000 2.094 251 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 251 N C 1.746 177.365 175.510 0.181 0.000 1.023 251 N CA 0.778 53.918 53.050 0.150 0.000 0.857 251 N CB -0.126 38.441 38.487 0.134 0.000 1.013 251 N HN 0.162 nan 8.380 nan 0.000 0.426 252 R N 0.670 121.315 120.500 0.242 0.000 2.081 252 R HA 0.023 4.363 4.340 -0.000 0.000 0.235 252 R C 2.361 178.804 176.300 0.239 0.000 1.131 252 R CA 0.524 56.754 56.100 0.217 0.000 0.960 252 R CB -0.915 29.509 30.300 0.206 0.000 0.856 252 R HN 0.329 nan 8.270 nan 0.000 0.436 253 L N 0.107 121.500 121.223 0.284 0.000 2.056 253 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 253 L C 2.495 179.531 176.870 0.277 0.000 1.078 253 L CA 0.809 55.833 54.840 0.306 0.000 0.749 253 L CB -0.465 41.762 42.059 0.280 0.000 0.901 253 L HN -0.084 nan 8.230 nan 0.000 0.433 254 V N -0.152 119.874 119.914 0.186 0.000 2.255 254 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 254 V C 2.542 178.685 176.094 0.082 0.000 1.051 254 V CA 2.066 64.430 62.300 0.107 0.000 1.018 254 V CB -0.462 31.401 31.823 0.068 0.000 0.641 254 V HN 0.434 nan 8.190 nan 0.000 0.445 255 E N 0.007 120.272 120.200 0.109 0.000 2.118 255 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 255 E C 1.876 178.537 176.600 0.101 0.000 0.992 255 E CA 1.575 58.024 56.400 0.083 0.000 0.804 255 E CB -0.494 29.261 29.700 0.092 0.000 0.741 255 E HN 0.560 nan 8.360 nan 0.000 0.458 256 F N 0.099 120.083 119.950 0.056 0.000 2.102 256 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 256 F C 2.176 178.028 175.800 0.087 0.000 1.105 256 F CA 1.715 59.757 58.000 0.070 0.000 1.239 256 F CB -0.697 38.357 39.000 0.089 0.000 0.991 256 F HN 0.115 nan 8.300 nan 0.000 0.474 257 C N -0.371 118.882 119.300 -0.078 0.000 2.440 257 C HA -0.083 4.377 4.460 -0.000 0.000 0.278 257 C C 2.879 177.721 174.990 -0.246 0.000 1.295 257 C CA 0.880 59.811 59.018 -0.145 0.000 1.738 257 C CB -1.155 26.617 27.740 0.054 0.000 1.987 257 C HN 0.432 nan 8.230 nan 0.000 0.492 258 V N 0.676 120.484 119.914 -0.177 0.000 2.295 258 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 258 V C 2.656 178.682 176.094 -0.114 0.000 1.049 258 V CA 1.793 63.986 62.300 -0.179 0.000 1.024 258 V CB -0.610 31.130 31.823 -0.139 0.000 0.648 258 V HN 0.507 nan 8.190 nan 0.000 0.447 259 Q N -0.431 119.301 119.800 -0.113 0.000 2.119 259 Q HA -0.205 4.135 4.340 -0.000 0.000 0.201 259 Q C 2.022 177.957 176.000 -0.109 0.000 0.972 259 Q CA 1.924 57.674 55.803 -0.088 0.000 0.847 259 Q CB -0.592 28.106 28.738 -0.066 0.000 0.903 259 Q HN 0.755 nan 8.270 nan 0.000 0.433 260 D N -0.389 119.878 120.400 -0.222 0.000 2.144 260 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 260 D C 1.601 177.922 176.300 0.036 0.000 0.984 260 D CA 0.625 54.527 54.000 -0.163 0.000 0.834 260 D CB -0.162 40.438 40.800 -0.333 0.000 0.955 260 D HN 0.178 nan 8.370 nan 0.000 0.465 261 F N 0.914 120.784 119.950 -0.134 0.000 2.186 261 F HA 0.002 4.529 4.527 0.000 0.000 0.299 261 F C 2.106 177.870 175.800 -0.059 0.000 1.090 261 F CA 1.103 59.038 58.000 -0.108 0.000 1.307 261 F CB 0.059 38.849 39.000 -0.350 0.000 1.019 261 F HN -0.166 nan 8.300 nan 0.000 0.489 262 K N 0.373 120.850 120.400 0.128 0.000 2.009 262 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 262 K C 2.182 178.779 176.600 -0.005 0.000 1.049 262 K CA 2.158 58.485 56.287 0.067 0.000 0.929 262 K CB -0.330 32.188 32.500 0.031 0.000 0.714 262 K HN 0.377 nan 8.250 nan 0.000 0.440 263 R N 1.119 121.607 120.500 -0.021 0.000 2.115 263 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 263 R C 1.724 177.993 176.300 -0.051 0.000 1.111 263 R CA 1.377 57.460 56.100 -0.029 0.000 0.976 263 R CB -0.185 30.104 30.300 -0.019 0.000 0.870 263 R HN 0.030 nan 8.270 nan 0.000 0.445 264 K N 0.317 120.667 120.400 -0.084 0.000 2.288 264 K HA 0.059 4.379 4.320 -0.000 0.000 0.201 264 K C 0.243 176.737 176.600 -0.178 0.000 1.048 264 K CA 0.818 57.033 56.287 -0.120 0.000 0.956 264 K CB 0.223 32.644 32.500 -0.130 0.000 0.746 264 K HN 0.247 nan 8.250 nan 0.000 0.461 265 N N 0.387 118.956 118.700 -0.218 0.000 2.644 265 N HA 0.076 4.816 4.740 -0.000 0.000 0.313 265 N C -0.825 174.651 175.510 -0.057 0.000 1.863 265 N CA 0.137 53.068 53.050 -0.198 0.000 0.918 265 N CB 1.332 39.561 38.487 -0.429 0.000 1.320 265 N HN 0.081 nan 8.380 nan 0.000 0.490 266 R N 0.597 121.077 120.500 -0.033 0.000 3.405 266 R HA -0.185 4.155 4.340 -0.000 0.000 0.258 266 R C 1.199 177.515 176.300 0.026 0.000 1.030 266 R CA 1.730 57.830 56.100 -0.000 0.000 0.691 266 R CB -3.005 27.299 30.300 0.005 0.000 1.093 266 R HN 0.859 nan 8.270 nan 0.000 0.448 267 G N -1.934 106.882 108.800 0.028 0.000 2.153 267 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.252 267 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.252 267 G C 0.402 175.350 174.900 0.080 0.000 0.994 267 G CA 0.506 45.632 45.100 0.043 0.000 0.698 267 G HN 1.174 nan 8.290 nan 0.000 0.521 268 M N 0.779 120.465 119.600 0.142 0.000 2.238 268 M HA 0.234 4.714 4.480 -0.000 0.000 0.350 268 M C 0.113 176.501 176.300 0.147 0.000 1.321 268 M CA 0.239 55.684 55.300 0.242 0.000 1.097 268 M CB 0.494 33.358 32.600 0.440 0.000 1.713 268 M HN 0.160 nan 8.290 nan 0.000 0.455 269 D N 3.985 124.369 120.400 -0.026 0.000 2.473 269 D HA 0.242 4.882 4.640 -0.000 0.000 0.226 269 D C 0.557 176.442 176.300 -0.691 0.000 1.089 269 D CA -0.553 53.305 54.000 -0.237 0.000 0.883 269 D CB 0.702 41.434 40.800 -0.112 0.000 1.029 269 D HN 0.526 nan 8.370 nan 0.000 0.517 270 L N 2.169 122.794 121.223 -0.996 0.000 2.456 270 L HA 0.061 4.401 4.340 -0.000 0.000 0.224 270 L C 1.849 178.334 176.870 -0.641 0.000 1.148 270 L CA 1.621 55.660 54.840 -1.334 0.000 0.825 270 L CB -1.414 39.932 42.059 -1.189 0.000 0.937 270 L HN 0.349 nan 8.230 nan 0.000 0.450 271 T N -3.414 110.900 114.554 -0.399 0.000 3.007 271 T HA -0.145 4.205 4.350 -0.000 0.000 0.270 271 T C 1.765 176.387 174.700 -0.130 0.000 1.107 271 T CA 1.308 63.283 62.100 -0.208 0.000 1.118 271 T CB -1.210 67.573 68.868 -0.141 0.000 0.889 271 T HN 0.649 nan 8.240 nan 0.000 0.506 272 T N -0.848 113.627 114.554 -0.132 0.000 2.995 272 T HA 0.011 4.361 4.350 -0.000 0.000 0.269 272 T C 0.925 175.648 174.700 0.038 0.000 1.091 272 T CA 0.300 62.391 62.100 -0.015 0.000 1.128 272 T CB -0.405 68.490 68.868 0.046 0.000 0.891 272 T HN 0.442 nan 8.240 nan 0.000 0.492 273 N N 0.725 119.444 118.700 0.032 0.000 2.501 273 N HA 0.484 5.224 4.740 -0.000 0.000 0.245 273 N C 1.147 176.663 175.510 0.010 0.000 0.974 273 N CA 0.209 53.304 53.050 0.075 0.000 0.941 273 N CB 1.607 40.215 38.487 0.201 0.000 1.122 273 N HN 0.249 nan 8.380 nan 0.000 0.507 274 A N 4.496 127.326 122.820 0.017 0.000 1.908 274 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 274 A C 2.159 179.744 177.584 0.002 0.000 1.181 274 A CA 1.226 53.268 52.037 0.008 0.000 0.627 274 A CB -0.319 18.695 19.000 0.025 0.000 0.818 274 A HN 0.797 nan 8.150 nan 0.000 0.445 275 R N -0.479 120.029 120.500 0.012 0.000 2.073 275 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 275 R C 2.347 178.645 176.300 -0.002 0.000 1.134 275 R CA 1.470 57.575 56.100 0.009 0.000 0.952 275 R CB -0.435 29.876 30.300 0.018 0.000 0.850 275 R HN 0.439 nan 8.270 nan 0.000 0.433 276 A N 1.192 124.011 122.820 -0.001 0.000 1.877 276 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 276 A C 2.051 179.582 177.584 -0.089 0.000 1.186 276 A CA 1.269 53.286 52.037 -0.033 0.000 0.620 276 A CB -0.632 18.358 19.000 -0.015 0.000 0.822 276 A HN 0.385 nan 8.150 nan 0.000 0.443 277 L N -0.425 120.739 121.223 -0.099 0.000 2.083 277 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 277 L C 2.400 179.235 176.870 -0.059 0.000 1.083 277 L CA 2.332 57.109 54.840 -0.105 0.000 0.752 277 L CB -0.592 41.411 42.059 -0.093 0.000 0.899 277 L HN 0.434 nan 8.230 nan 0.000 0.433 278 R N -0.671 119.807 120.500 -0.037 0.000 2.075 278 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 278 R C 2.437 178.724 176.300 -0.022 0.000 1.126 278 R CA 1.418 57.502 56.100 -0.026 0.000 0.963 278 R CB -0.176 30.112 30.300 -0.020 0.000 0.858 278 R HN 0.287 nan 8.270 nan 0.000 0.435 279 R N -0.214 120.276 120.500 -0.017 0.000 2.081 279 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 279 R C 2.211 178.514 176.300 0.005 0.000 1.131 279 R CA 1.524 57.623 56.100 -0.002 0.000 0.960 279 R CB -0.543 29.761 30.300 0.007 0.000 0.856 279 R HN 0.192 nan 8.270 nan 0.000 0.436 280 L N 1.121 122.333 121.223 -0.017 0.000 2.017 280 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 280 L C 2.455 179.334 176.870 0.015 0.000 1.073 280 L CA 1.740 56.575 54.840 -0.008 0.000 0.745 280 L CB -0.425 41.582 42.059 -0.087 0.000 0.894 280 L HN -0.001 nan 8.230 nan 0.000 0.432 281 R N -1.348 119.151 120.500 -0.001 0.000 2.091 281 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 281 R C 2.055 178.364 176.300 0.016 0.000 1.136 281 R CA 2.034 58.141 56.100 0.013 0.000 0.959 281 R CB -0.478 29.821 30.300 -0.001 0.000 0.856 281 R HN 0.404 nan 8.270 nan 0.000 0.437 282 T N 0.830 115.386 114.554 0.004 0.000 2.746 282 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 282 T C 1.674 176.383 174.700 0.015 0.000 1.039 282 T CA 1.131 63.231 62.100 0.001 0.000 1.142 282 T CB -0.069 68.794 68.868 -0.008 0.000 0.866 282 T HN 0.285 nan 8.240 nan 0.000 0.444 283 Q N -0.060 119.758 119.800 0.030 0.000 2.245 283 Q HA 0.045 4.385 4.340 -0.000 0.000 0.201 283 Q C 2.649 178.678 176.000 0.050 0.000 0.955 283 Q CA 0.617 56.446 55.803 0.043 0.000 0.870 283 Q CB -0.676 28.101 28.738 0.066 0.000 0.945 283 Q HN 0.540 nan 8.270 nan 0.000 0.461 284 C N 0.723 120.060 119.300 0.061 0.000 2.446 284 C HA -0.113 4.347 4.460 -0.000 0.000 0.277 284 C C 2.685 177.696 174.990 0.034 0.000 1.275 284 C CA 0.982 60.043 59.018 0.072 0.000 1.727 284 C CB -0.566 27.236 27.740 0.103 0.000 2.010 284 C HN 0.570 nan 8.230 nan 0.000 0.486 285 E N 1.629 121.848 120.200 0.032 0.000 2.058 285 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 285 E C 2.227 178.820 176.600 -0.012 0.000 0.997 285 E CA 1.761 58.173 56.400 0.020 0.000 0.801 285 E CB -0.310 29.406 29.700 0.027 0.000 0.746 285 E HN 0.412 nan 8.360 nan 0.000 0.450 286 R N 0.501 120.996 120.500 -0.008 0.000 2.081 286 R HA 0.054 4.394 4.340 -0.000 0.000 0.235 286 R C 2.127 178.404 176.300 -0.039 0.000 1.131 286 R CA 1.933 58.021 56.100 -0.019 0.000 0.960 286 R CB -1.142 29.156 30.300 -0.005 0.000 0.856 286 R HN 0.246 nan 8.270 nan 0.000 0.436 287 A N 0.986 123.785 122.820 -0.035 0.000 1.902 287 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 287 A C 2.167 179.659 177.584 -0.153 0.000 1.181 287 A CA 1.802 53.805 52.037 -0.056 0.000 0.623 287 A CB -0.640 18.352 19.000 -0.013 0.000 0.818 287 A HN 0.452 nan 8.150 nan 0.000 0.443 288 K N -0.365 119.900 120.400 -0.226 0.000 2.032 288 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 288 K C 2.275 178.701 176.600 -0.290 0.000 1.048 288 K CA 1.624 57.634 56.287 -0.462 0.000 0.927 288 K CB -0.218 32.064 32.500 -0.363 0.000 0.712 288 K HN 0.446 nan 8.250 nan 0.000 0.441 289 R N -0.196 120.218 120.500 -0.143 0.000 2.081 289 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 289 R C 2.384 178.637 176.300 -0.079 0.000 1.131 289 R CA 1.981 58.029 56.100 -0.087 0.000 0.960 289 R CB -0.470 29.796 30.300 -0.058 0.000 0.856 289 R HN 0.266 nan 8.270 nan 0.000 0.436 290 T N 1.551 116.059 114.554 -0.078 0.000 2.788 290 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 290 T C 1.648 176.313 174.700 -0.059 0.000 1.044 290 T CA 0.983 63.050 62.100 -0.056 0.000 1.139 290 T CB -0.085 68.757 68.868 -0.043 0.000 0.867 290 T HN 0.156 nan 8.240 nan 0.000 0.454 291 L N 0.939 122.103 121.223 -0.099 0.000 2.622 291 L HA 0.040 4.380 4.340 -0.000 0.000 0.233 291 L C 2.323 179.172 176.870 -0.035 0.000 1.156 291 L CA 0.420 55.214 54.840 -0.076 0.000 0.866 291 L CB -0.310 41.674 42.059 -0.125 0.000 0.980 291 L HN 0.196 nan 8.230 nan 0.000 0.448 292 S N -1.093 114.581 115.700 -0.043 0.000 2.501 292 S HA -0.036 4.434 4.470 -0.000 0.000 0.220 292 S C 1.911 176.502 174.600 -0.014 0.000 0.997 292 S CA 0.986 59.175 58.200 -0.017 0.000 0.919 292 S CB 0.222 63.410 63.200 -0.021 0.000 0.778 292 S HN 0.600 nan 8.310 nan 0.000 0.523 293 S N -0.669 115.020 115.700 -0.018 0.000 2.593 293 S HA 0.340 4.810 4.470 -0.000 0.000 0.235 293 S C 0.563 175.157 174.600 -0.010 0.000 1.059 293 S CA -0.462 57.730 58.200 -0.014 0.000 0.953 293 S CB 0.450 63.640 63.200 -0.016 0.000 0.897 293 S HN 0.129 nan 8.310 nan 0.000 0.507 294 S N 1.569 117.263 115.700 -0.011 0.000 2.638 294 S HA 0.545 5.015 4.470 -0.000 0.000 0.302 294 S C 0.788 175.388 174.600 0.001 0.000 1.096 294 S CA -0.178 58.019 58.200 -0.006 0.000 0.953 294 S CB 1.810 65.005 63.200 -0.009 0.000 1.107 294 S HN 0.505 nan 8.310 nan 0.000 0.503 295 T N -1.194 113.363 114.554 0.005 0.000 3.065 295 T HA 0.202 4.552 4.350 -0.000 0.000 0.252 295 T C 0.091 174.799 174.700 0.014 0.000 1.099 295 T CA 0.178 62.286 62.100 0.014 0.000 1.063 295 T CB 0.043 68.918 68.868 0.012 0.000 0.948 295 T HN 0.370 nan 8.240 nan 0.000 0.506 296 Q N 0.521 120.326 119.800 0.007 0.000 2.347 296 Q HA 0.780 5.120 4.340 -0.000 0.000 0.271 296 Q C -1.395 174.606 176.000 0.002 0.000 1.064 296 Q CA -0.628 55.180 55.803 0.008 0.000 0.800 296 Q CB 2.452 31.195 28.738 0.008 0.000 1.304 296 Q HN 0.401 nan 8.270 nan 0.000 0.438 297 A N 1.307 124.130 122.820 0.005 0.000 2.435 297 A HA 0.867 5.187 4.320 -0.000 0.000 0.304 297 A C -0.796 176.799 177.584 0.018 0.000 1.064 297 A CA -0.514 51.525 52.037 0.002 0.000 0.727 297 A CB 1.664 20.655 19.000 -0.014 0.000 1.284 297 A HN 0.516 nan 8.150 nan 0.000 0.415 298 T N 2.066 116.630 114.554 0.017 0.000 2.824 298 T HA 0.569 4.919 4.350 -0.000 0.000 0.282 298 T C -0.539 174.180 174.700 0.032 0.000 0.993 298 T CA -0.003 62.109 62.100 0.020 0.000 0.967 298 T CB 0.676 69.549 68.868 0.008 0.000 0.960 298 T HN 0.445 nan 8.240 nan 0.000 0.441 299 I N 3.769 124.365 120.570 0.043 0.000 2.362 299 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 299 I C 0.028 176.160 176.117 0.025 0.000 0.994 299 I CA -0.584 60.758 61.300 0.070 0.000 1.158 299 I CB 1.239 39.334 38.000 0.158 0.000 1.315 299 I HN 0.701 nan 8.210 nan 0.000 0.451 300 E N 7.972 128.199 120.200 0.044 0.000 2.343 300 E HA 0.508 4.858 4.350 -0.000 0.000 0.260 300 E C -1.774 174.870 176.600 0.073 0.000 0.908 300 E CA -0.715 55.702 56.400 0.029 0.000 0.814 300 E CB 1.671 31.375 29.700 0.005 0.000 1.302 300 E HN 0.493 nan 8.360 nan 0.000 0.408 301 L N 4.063 125.360 121.223 0.124 0.000 2.372 301 L HA 0.286 4.626 4.340 -0.000 0.000 0.273 301 L C -0.108 176.849 176.870 0.145 0.000 0.989 301 L CA -0.986 53.938 54.840 0.140 0.000 0.841 301 L CB 1.436 43.603 42.059 0.180 0.000 1.225 301 L HN 0.616 nan 8.230 nan 0.000 0.414 302 D N 1.563 122.022 120.400 0.099 0.000 2.372 302 D HA 0.004 4.644 4.640 -0.000 0.000 0.243 302 D C 0.170 176.531 176.300 0.102 0.000 1.121 302 D CA -0.208 53.847 54.000 0.092 0.000 0.898 302 D CB 1.331 42.167 40.800 0.060 0.000 1.202 302 D HN 0.531 nan 8.370 nan 0.000 0.428 303 S N 0.456 116.221 115.700 0.108 0.000 3.491 303 S HA -0.235 4.235 4.470 -0.000 0.000 0.371 303 S C 0.873 175.541 174.600 0.113 0.000 0.980 303 S CA 0.408 58.669 58.200 0.101 0.000 1.204 303 S CB -1.549 61.688 63.200 0.061 0.000 0.915 303 S HN 0.598 nan 8.310 nan 0.000 0.482 304 L N -0.212 121.111 121.223 0.166 0.000 1.994 304 L HA 0.211 4.551 4.340 -0.000 0.000 0.208 304 L C 0.604 177.549 176.870 0.125 0.000 1.071 304 L CA 1.924 56.840 54.840 0.127 0.000 0.745 304 L CB -0.047 42.091 42.059 0.132 0.000 0.892 304 L HN 0.664 nan 8.230 nan 0.000 0.431 305 Y N 0.134 120.436 120.300 0.003 0.000 2.361 305 Y HA 0.301 4.851 4.550 -0.000 0.000 0.328 305 Y C -0.213 175.754 175.900 0.112 0.000 1.044 305 Y CA -1.400 56.680 58.100 -0.034 0.000 1.085 305 Y CB 0.792 39.073 38.460 -0.298 0.000 1.194 305 Y HN 0.327 nan 8.280 nan 0.000 0.438 306 E N 3.996 123.974 120.200 -0.371 0.000 2.476 306 E HA -0.272 4.078 4.350 -0.000 0.000 0.251 306 E C 1.053 177.618 176.600 -0.059 0.000 1.130 306 E CA 1.107 57.343 56.400 -0.273 0.000 0.736 306 E CB -1.486 28.005 29.700 -0.349 0.000 1.298 306 E HN 1.365 nan 8.360 nan 0.000 0.400 307 G N -0.297 108.500 108.800 -0.006 0.000 2.189 307 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.267 307 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.267 307 G C 0.367 175.319 174.900 0.087 0.000 0.975 307 G CA 0.396 45.518 45.100 0.036 0.000 0.644 307 G HN 0.361 nan 8.290 nan 0.000 0.537 308 I N 2.048 122.713 120.570 0.157 0.000 2.452 308 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 308 I C 0.137 176.421 176.117 0.278 0.000 1.079 308 I CA -1.043 60.382 61.300 0.208 0.000 1.387 308 I CB 0.408 38.565 38.000 0.262 0.000 1.404 308 I HN 0.009 nan 8.210 nan 0.000 0.522 309 D N 5.879 126.394 120.400 0.191 0.000 2.372 309 D HA 0.155 4.795 4.640 -0.000 0.000 0.243 309 D C -0.606 175.866 176.300 0.286 0.000 1.121 309 D CA 0.358 54.476 54.000 0.197 0.000 0.898 309 D CB 1.190 42.051 40.800 0.102 0.000 1.202 309 D HN 0.433 nan 8.370 nan 0.000 0.428 310 Y N 0.558 120.959 120.300 0.169 0.000 2.406 310 Y HA 0.380 4.930 4.550 -0.000 0.000 0.340 310 Y C -0.920 175.047 175.900 0.111 0.000 0.975 310 Y CA -0.680 57.529 58.100 0.182 0.000 1.056 310 Y CB 1.499 40.156 38.460 0.328 0.000 1.210 310 Y HN 0.360 nan 8.280 nan 0.000 0.448 311 S N 4.904 120.188 115.700 -0.693 0.000 2.541 311 S HA 0.862 5.332 4.470 -0.000 0.000 0.271 311 S C -2.175 172.048 174.600 -0.629 0.000 1.133 311 S CA -0.739 57.151 58.200 -0.518 0.000 0.876 311 S CB 1.598 64.679 63.200 -0.198 0.000 1.105 311 S HN 0.974 nan 8.310 nan 0.000 0.470 312 V N 0.856 120.568 119.914 -0.338 0.000 3.000 312 V HA 0.813 4.933 4.120 -0.000 0.000 0.300 312 V C -0.949 175.147 176.094 0.004 0.000 1.251 312 V CA -0.169 62.052 62.300 -0.131 0.000 0.972 312 V CB 2.059 33.873 31.823 -0.014 0.000 1.065 312 V HN 1.674 nan 8.190 nan 0.000 0.431 313 A N 6.950 129.795 122.820 0.042 0.000 2.260 313 A HA 0.830 5.149 4.320 -0.000 0.000 0.308 313 A C -0.660 176.975 177.584 0.085 0.000 1.254 313 A CA -0.360 51.706 52.037 0.049 0.000 0.874 313 A CB 0.256 19.274 19.000 0.030 0.000 1.153 313 A HN 0.747 nan 8.150 nan 0.000 0.527 314 I N 3.196 123.809 120.570 0.073 0.000 2.355 314 I HA 0.248 4.418 4.170 -0.000 0.000 0.288 314 I C 0.693 176.827 176.117 0.028 0.000 0.999 314 I CA -0.277 61.056 61.300 0.055 0.000 1.163 314 I CB 1.900 39.950 38.000 0.082 0.000 1.316 314 I HN 0.742 nan 8.210 nan 0.000 0.454 315 S N 5.809 121.518 115.700 0.015 0.000 2.652 315 S HA 0.364 4.834 4.470 -0.000 0.000 0.270 315 S C 1.087 175.719 174.600 0.054 0.000 1.243 315 S CA -0.653 57.561 58.200 0.022 0.000 0.999 315 S CB 1.910 65.117 63.200 0.011 0.000 0.973 315 S HN 0.753 nan 8.310 nan 0.000 0.544 316 R N 0.739 121.279 120.500 0.066 0.000 2.081 316 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 316 R C 2.304 178.679 176.300 0.125 0.000 1.131 316 R CA 1.554 57.729 56.100 0.124 0.000 0.960 316 R CB -1.101 29.252 30.300 0.088 0.000 0.856 316 R HN 0.858 nan 8.270 nan 0.000 0.436 317 A N 1.241 124.093 122.820 0.053 0.000 1.883 317 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 317 A C 2.146 179.719 177.584 -0.019 0.000 1.186 317 A CA 1.797 53.843 52.037 0.014 0.000 0.624 317 A CB -0.598 18.401 19.000 -0.001 0.000 0.822 317 A HN 0.429 nan 8.150 nan 0.000 0.444 318 R N -1.042 119.439 120.500 -0.031 0.000 2.073 318 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 318 R C 1.844 178.086 176.300 -0.096 0.000 1.134 318 R CA 2.139 58.173 56.100 -0.110 0.000 0.952 318 R CB -0.930 29.266 30.300 -0.173 0.000 0.850 318 R HN 0.454 nan 8.270 nan 0.000 0.433 319 F N 1.643 121.519 119.950 -0.123 0.000 2.095 319 F HA -0.113 4.413 4.527 -0.000 0.000 0.298 319 F C 1.731 177.479 175.800 -0.087 0.000 1.104 319 F CA 2.127 60.078 58.000 -0.082 0.000 1.232 319 F CB -0.408 38.589 39.000 -0.005 0.000 0.987 319 F HN 0.181 nan 8.300 nan 0.000 0.475 320 E N -0.007 120.066 120.200 -0.213 0.000 2.085 320 E HA -0.250 4.099 4.350 -0.000 0.000 0.194 320 E C 2.099 178.500 176.600 -0.330 0.000 0.994 320 E CA 1.760 58.018 56.400 -0.237 0.000 0.801 320 E CB -0.263 29.438 29.700 0.001 0.000 0.743 320 E HN 0.589 nan 8.360 nan 0.000 0.453 321 E N 0.518 120.579 120.200 -0.230 0.000 2.077 321 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 321 E C 2.110 178.543 176.600 -0.277 0.000 0.989 321 E CA 0.751 57.024 56.400 -0.212 0.000 0.800 321 E CB -0.031 29.581 29.700 -0.147 0.000 0.746 321 E HN 0.204 nan 8.360 nan 0.000 0.452 322 L N -0.166 120.871 121.223 -0.310 0.000 2.191 322 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 322 L C 1.562 178.197 176.870 -0.393 0.000 1.103 322 L CA 0.553 55.226 54.840 -0.279 0.000 0.769 322 L CB 0.053 42.003 42.059 -0.183 0.000 0.908 322 L HN 0.276 nan 8.230 nan 0.000 0.438 323 C N -0.881 118.006 119.300 -0.688 0.000 2.881 323 C HA 0.422 4.882 4.460 -0.000 0.000 0.290 323 C C 2.497 176.885 174.990 -1.004 0.000 1.362 323 C CA -0.502 57.959 59.018 -0.929 0.000 1.757 323 C CB -0.952 25.860 27.740 -1.546 0.000 2.265 323 C HN 0.485 nan 8.230 nan 0.000 0.600 324 A N 2.775 125.226 122.820 -0.615 0.000 1.917 324 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 324 A C 2.055 179.478 177.584 -0.268 0.000 1.182 324 A CA 2.635 54.450 52.037 -0.369 0.000 0.633 324 A CB -0.453 18.405 19.000 -0.237 0.000 0.819 324 A HN 0.691 nan 8.150 nan 0.000 0.448 325 D N -1.563 118.654 120.400 -0.304 0.000 2.117 325 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 325 D C 1.700 177.928 176.300 -0.119 0.000 0.982 325 D CA 1.429 55.295 54.000 -0.223 0.000 0.828 325 D CB -0.809 39.815 40.800 -0.294 0.000 0.967 325 D HN 0.470 nan 8.370 nan 0.000 0.464 326 Y N 0.421 120.622 120.300 -0.164 0.000 2.145 326 Y HA -0.093 4.457 4.550 0.000 0.000 0.286 326 Y C 2.449 178.378 175.900 0.049 0.000 1.145 326 Y CA 0.436 58.511 58.100 -0.041 0.000 1.148 326 Y CB -0.926 37.550 38.460 0.026 0.000 0.981 326 Y HN -0.106 nan 8.280 nan 0.000 0.507 327 F N -0.240 119.697 119.950 -0.021 0.000 2.171 327 F HA -0.138 4.389 4.527 -0.000 0.000 0.300 327 F C 2.379 178.144 175.800 -0.058 0.000 1.090 327 F CA 0.928 58.866 58.000 -0.105 0.000 1.293 327 F CB -1.184 37.698 39.000 -0.197 0.000 1.013 327 F HN -0.008 nan 8.300 nan 0.000 0.486 328 R N -0.038 120.536 120.500 0.122 0.000 2.075 328 R HA -0.039 4.301 4.340 -0.000 0.000 0.232 328 R C 2.311 178.642 176.300 0.052 0.000 1.126 328 R CA 1.128 57.263 56.100 0.058 0.000 0.963 328 R CB -0.637 29.673 30.300 0.017 0.000 0.858 328 R HN 0.204 nan 8.270 nan 0.000 0.435 329 A N 0.626 123.486 122.820 0.067 0.000 2.178 329 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 329 A C 2.055 179.675 177.584 0.061 0.000 1.157 329 A CA 1.783 53.864 52.037 0.073 0.000 0.689 329 A CB -0.695 18.372 19.000 0.112 0.000 0.787 329 A HN 0.531 nan 8.150 nan 0.000 0.465 330 T N -2.129 112.422 114.554 -0.004 0.000 2.951 330 T HA 0.020 4.370 4.350 -0.000 0.000 0.268 330 T C 1.675 176.505 174.700 0.217 0.000 1.073 330 T CA 1.164 63.194 62.100 -0.117 0.000 1.134 330 T CB -0.462 68.249 68.868 -0.261 0.000 0.884 330 T HN 0.352 nan 8.240 nan 0.000 0.479 331 L N 0.601 121.873 121.223 0.080 0.000 2.217 331 L HA 0.199 4.539 4.340 -0.000 0.000 0.211 331 L C 3.296 180.100 176.870 -0.109 0.000 1.107 331 L CA 0.774 55.558 54.840 -0.092 0.000 0.783 331 L CB -0.765 41.163 42.059 -0.218 0.000 0.919 331 L HN 0.361 nan 8.230 nan 0.000 0.442 332 A N 1.162 123.986 122.820 0.007 0.000 1.865 332 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 332 A C -0.063 177.542 177.584 0.035 0.000 1.191 332 A CA 1.611 53.660 52.037 0.019 0.000 0.623 332 A CB -1.775 17.253 19.000 0.047 0.000 0.826 332 A HN 0.270 nan 8.150 nan 0.000 0.444 333 P HA -0.059 nan 4.420 nan 0.000 0.222 333 P C 1.388 178.693 177.300 0.009 0.000 1.147 333 P CA 0.915 64.034 63.100 0.032 0.000 0.790 333 P CB -0.073 31.622 31.700 -0.008 0.000 0.780 334 V N -0.002 119.927 119.914 0.026 0.000 2.453 334 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 334 V C 2.217 178.325 176.094 0.023 0.000 1.048 334 V CA 1.737 64.054 62.300 0.028 0.000 1.049 334 V CB -1.077 30.710 31.823 -0.061 0.000 0.672 334 V HN 0.180 nan 8.190 nan 0.000 0.457 335 E N 0.117 120.299 120.200 -0.030 0.000 2.107 335 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 335 E C 2.193 178.826 176.600 0.056 0.000 0.982 335 E CA 1.114 57.545 56.400 0.053 0.000 0.809 335 E CB -0.103 29.620 29.700 0.039 0.000 0.756 335 E HN 0.383 nan 8.360 nan 0.000 0.459 336 K N 1.054 121.474 120.400 0.033 0.000 2.057 336 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 336 K C 2.078 178.698 176.600 0.033 0.000 1.049 336 K CA 1.464 57.768 56.287 0.028 0.000 0.931 336 K CB -0.370 32.137 32.500 0.013 0.000 0.714 336 K HN 0.151 nan 8.250 nan 0.000 0.440 337 V N -1.067 118.870 119.914 0.039 0.000 2.358 337 V HA -0.134 3.985 4.120 -0.000 0.000 0.246 337 V C 2.123 178.258 176.094 0.068 0.000 1.047 337 V CA 1.576 63.905 62.300 0.048 0.000 1.035 337 V CB -0.712 31.140 31.823 0.047 0.000 0.658 337 V HN 0.206 nan 8.190 nan 0.000 0.452 338 L N 0.096 121.375 121.223 0.092 0.000 2.056 338 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 338 L C 2.831 179.742 176.870 0.068 0.000 1.078 338 L CA 2.333 57.231 54.840 0.098 0.000 0.749 338 L CB -0.654 41.487 42.059 0.138 0.000 0.901 338 L HN 0.356 nan 8.230 nan 0.000 0.433 339 K N 0.267 120.704 120.400 0.061 0.000 2.002 339 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 339 K C 1.731 178.353 176.600 0.037 0.000 1.048 339 K CA 1.852 58.166 56.287 0.045 0.000 0.930 339 K CB -0.025 32.499 32.500 0.041 0.000 0.714 339 K HN 0.148 nan 8.250 nan 0.000 0.438 340 D N 0.202 120.623 120.400 0.036 0.000 2.158 340 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 340 D C 1.469 177.789 176.300 0.033 0.000 0.995 340 D CA 1.533 55.551 54.000 0.031 0.000 0.846 340 D CB -0.109 40.708 40.800 0.028 0.000 0.941 340 D HN 0.404 nan 8.370 nan 0.000 0.456 341 A N -0.443 122.400 122.820 0.038 0.000 2.275 341 A HA 0.429 4.749 4.320 -0.000 0.000 0.212 341 A C 1.540 179.144 177.584 0.034 0.000 1.201 341 A CA 0.791 52.851 52.037 0.038 0.000 0.843 341 A CB -0.203 18.824 19.000 0.045 0.000 0.873 341 A HN 0.214 nan 8.150 nan 0.000 0.492 342 G N -0.569 108.251 108.800 0.034 0.000 2.350 342 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.298 342 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.298 342 G C -0.150 174.767 174.900 0.029 0.000 1.037 342 G CA 0.783 45.900 45.100 0.029 0.000 1.074 342 G HN 0.606 nan 8.290 nan 0.000 0.511 343 M N 0.151 119.773 119.600 0.036 0.000 2.464 343 M HA 0.394 4.874 4.480 -0.000 0.000 0.308 343 M C -0.832 175.490 176.300 0.038 0.000 1.127 343 M CA -0.919 54.402 55.300 0.035 0.000 0.913 343 M CB 1.564 34.189 32.600 0.042 0.000 1.689 343 M HN 0.228 nan 8.290 nan 0.000 0.445 344 D N 2.686 123.099 120.400 0.022 0.000 2.225 344 D HA 0.165 4.805 4.640 -0.000 0.000 0.249 344 D C 0.542 176.855 176.300 0.023 0.000 1.052 344 D CA -0.022 53.983 54.000 0.009 0.000 0.909 344 D CB 1.467 42.260 40.800 -0.011 0.000 1.186 344 D HN 0.742 nan 8.370 nan 0.000 0.431 345 K N 2.863 123.258 120.400 -0.008 0.000 2.152 345 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 345 K C 1.732 178.394 176.600 0.103 0.000 1.048 345 K CA 0.736 57.041 56.287 0.030 0.000 0.933 345 K CB 0.064 32.347 32.500 -0.360 0.000 0.721 345 K HN 0.252 nan 8.250 nan 0.000 0.447 346 R N 0.924 121.426 120.500 0.004 0.000 2.237 346 R HA 0.023 4.363 4.340 -0.000 0.000 0.219 346 R C 1.417 177.702 176.300 -0.026 0.000 1.080 346 R CA 1.048 57.151 56.100 0.005 0.000 0.995 346 R CB 0.015 30.302 30.300 -0.022 0.000 0.875 346 R HN 0.247 nan 8.270 nan 0.000 0.462 347 S N -0.118 115.554 115.700 -0.047 0.000 2.489 347 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 347 S C 0.498 174.899 174.600 -0.331 0.000 0.995 347 S CA 0.095 58.209 58.200 -0.144 0.000 0.934 347 S CB 0.348 63.502 63.200 -0.076 0.000 0.771 347 S HN -0.009 nan 8.310 nan 0.000 0.522 348 V N 2.834 122.650 119.914 -0.163 0.000 2.479 348 V HA 0.066 4.186 4.120 -0.000 0.000 0.281 348 V C 0.839 176.772 176.094 -0.269 0.000 1.031 348 V CA 0.214 62.405 62.300 -0.183 0.000 1.038 348 V CB 0.322 32.138 31.823 -0.012 0.000 0.981 348 V HN 0.453 nan 8.190 nan 0.000 0.478 349 H N 1.245 120.296 119.070 -0.032 0.000 2.465 349 H HA 0.170 4.726 4.556 -0.000 0.000 0.289 349 H C -0.032 175.241 175.328 -0.091 0.000 1.022 349 H CA 0.576 56.596 56.048 -0.048 0.000 1.340 349 H CB 0.457 30.200 29.762 -0.032 0.000 1.437 349 H HN 0.609 nan 8.280 nan 0.000 0.539 350 D N 0.637 121.023 120.400 -0.023 0.000 2.863 350 D HA 0.237 4.877 4.640 -0.000 0.000 0.245 350 D C -1.003 175.176 176.300 -0.203 0.000 1.211 350 D CA -0.358 53.575 54.000 -0.112 0.000 0.888 350 D CB 3.351 44.103 40.800 -0.079 0.000 1.483 350 D HN -0.137 nan 8.370 nan 0.000 0.533 351 V N 2.173 121.909 119.914 -0.296 0.000 2.328 351 V HA 0.246 4.366 4.120 -0.000 0.000 0.278 351 V C 0.116 176.062 176.094 -0.247 0.000 1.021 351 V CA -0.678 61.414 62.300 -0.347 0.000 0.838 351 V CB 1.631 33.087 31.823 -0.612 0.000 0.999 351 V HN 0.307 nan 8.190 nan 0.000 0.447 352 V N 6.704 126.521 119.914 -0.161 0.000 2.370 352 V HA 0.419 4.539 4.120 -0.000 0.000 0.279 352 V C 0.031 176.114 176.094 -0.018 0.000 1.029 352 V CA -0.567 61.631 62.300 -0.170 0.000 0.870 352 V CB 1.594 33.313 31.823 -0.173 0.000 0.984 352 V HN 0.624 nan 8.190 nan 0.000 0.451 353 L N 5.987 127.196 121.223 -0.024 0.000 2.278 353 L HA 0.567 4.907 4.340 -0.000 0.000 0.287 353 L C -0.460 176.482 176.870 0.120 0.000 1.072 353 L CA -0.226 54.664 54.840 0.082 0.000 0.819 353 L CB 1.101 43.174 42.059 0.025 0.000 1.176 353 L HN 0.386 nan 8.230 nan 0.000 0.435 354 V N 1.717 121.732 119.914 0.169 0.000 2.823 354 V HA 0.901 5.021 4.120 -0.000 0.000 0.312 354 V C 0.248 176.424 176.094 0.137 0.000 1.072 354 V CA -0.578 61.799 62.300 0.129 0.000 0.937 354 V CB 1.819 33.701 31.823 0.098 0.000 1.013 354 V HN 0.963 nan 8.190 nan 0.000 0.430 355 G N 2.219 111.074 108.800 0.092 0.000 2.895 355 G HA2 0.187 4.147 3.960 -0.000 0.000 0.686 355 G HA3 0.187 4.147 3.960 -0.000 0.000 0.686 355 G C 0.695 175.639 174.900 0.074 0.000 1.108 355 G CA -0.073 45.077 45.100 0.084 0.000 0.761 355 G HN 1.469 nan 8.290 nan 0.000 0.611 356 G N 0.359 109.175 108.800 0.027 0.000 2.475 356 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.220 356 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.220 356 G C 1.994 176.924 174.900 0.049 0.000 1.125 356 G CA 1.956 47.053 45.100 -0.005 0.000 0.755 356 G HN 1.433 nan 8.290 nan 0.000 0.565 357 S N 0.298 116.064 115.700 0.110 0.000 2.555 357 S HA -0.070 4.400 4.470 -0.000 0.000 0.230 357 S C 2.424 177.124 174.600 0.167 0.000 0.978 357 S CA 1.404 59.723 58.200 0.198 0.000 0.934 357 S CB -0.234 63.156 63.200 0.318 0.000 0.766 357 S HN 0.716 nan 8.310 nan 0.000 0.533 358 T N -0.230 114.411 114.554 0.145 0.000 3.160 358 T HA 0.135 4.485 4.350 -0.000 0.000 0.257 358 T C 1.409 176.129 174.700 0.033 0.000 1.147 358 T CA 0.179 62.347 62.100 0.114 0.000 1.064 358 T CB -0.181 68.790 68.868 0.172 0.000 0.949 358 T HN 0.264 nan 8.240 nan 0.000 0.526 359 R N 0.309 120.828 120.500 0.032 0.000 2.236 359 R HA 0.269 4.609 4.340 -0.000 0.000 0.208 359 R C 0.347 176.642 176.300 -0.009 0.000 1.036 359 R CA 0.191 56.295 56.100 0.006 0.000 1.001 359 R CB -0.291 30.011 30.300 0.004 0.000 0.896 359 R HN 0.472 nan 8.270 nan 0.000 0.464 360 I N 2.788 123.350 120.570 -0.015 0.000 2.581 360 I HA -0.008 4.162 4.170 -0.000 0.000 0.285 360 I C -1.509 174.544 176.117 -0.106 0.000 1.129 360 I CA -1.526 59.747 61.300 -0.045 0.000 1.397 360 I CB 0.929 38.867 38.000 -0.104 0.000 1.399 360 I HN -0.184 nan 8.210 nan 0.000 0.537 361 P HA -0.233 nan 4.420 nan 0.000 0.216 361 P C 1.530 178.766 177.300 -0.106 0.000 1.154 361 P CA 1.200 64.262 63.100 -0.063 0.000 0.865 361 P CB 0.203 31.890 31.700 -0.022 0.000 0.789 362 K N -0.146 120.169 120.400 -0.142 0.000 2.097 362 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 362 K C 1.829 178.256 176.600 -0.288 0.000 1.049 362 K CA 1.261 57.443 56.287 -0.176 0.000 0.933 362 K CB -1.235 31.201 32.500 -0.107 0.000 0.717 362 K HN -0.096 nan 8.250 nan 0.000 0.442 363 V N 1.147 120.777 119.914 -0.472 0.000 2.343 363 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 363 V C 2.341 178.274 176.094 -0.269 0.000 1.051 363 V CA 1.977 64.036 62.300 -0.402 0.000 1.036 363 V CB -0.497 31.091 31.823 -0.392 0.000 0.654 363 V HN 0.426 nan 8.190 nan 0.000 0.451 364 Q N -0.283 119.393 119.800 -0.207 0.000 2.084 364 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 364 Q C 2.448 178.374 176.000 -0.123 0.000 0.978 364 Q CA 1.751 57.456 55.803 -0.163 0.000 0.844 364 Q CB -0.400 28.273 28.738 -0.108 0.000 0.898 364 Q HN 0.672 nan 8.270 nan 0.000 0.426 365 A N 0.840 123.601 122.820 -0.098 0.000 1.933 365 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 365 A C 2.071 179.632 177.584 -0.038 0.000 1.175 365 A CA 1.050 53.053 52.037 -0.055 0.000 0.628 365 A CB -0.609 18.364 19.000 -0.044 0.000 0.814 365 A HN 0.269 nan 8.150 nan 0.000 0.444 366 L N -0.666 120.521 121.223 -0.060 0.000 2.056 366 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 366 L C 2.419 179.293 176.870 0.006 0.000 1.078 366 L CA 1.248 56.074 54.840 -0.024 0.000 0.749 366 L CB -0.449 41.587 42.059 -0.038 0.000 0.901 366 L HN 0.399 nan 8.230 nan 0.000 0.433 367 I N -0.946 119.581 120.570 -0.072 0.000 2.233 367 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 367 I C 2.628 178.868 176.117 0.205 0.000 1.093 367 I CA 1.161 62.464 61.300 0.005 0.000 1.380 367 I CB -0.366 37.459 38.000 -0.291 0.000 1.067 367 I HN 0.275 nan 8.210 nan 0.000 0.413 368 Q N 1.025 120.875 119.800 0.082 0.000 2.084 368 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 368 Q C 2.224 178.288 176.000 0.107 0.000 0.978 368 Q CA 1.829 57.692 55.803 0.099 0.000 0.844 368 Q CB -0.028 28.722 28.738 0.020 0.000 0.898 368 Q HN 0.507 nan 8.270 nan 0.000 0.426 369 E N -0.578 119.667 120.200 0.075 0.000 2.077 369 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 369 E C 1.720 178.352 176.600 0.054 0.000 0.989 369 E CA 1.079 57.510 56.400 0.052 0.000 0.800 369 E CB -0.246 29.479 29.700 0.041 0.000 0.746 369 E HN 0.438 nan 8.360 nan 0.000 0.452 370 F N 0.220 120.133 119.950 -0.062 0.000 2.126 370 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 370 F C 1.301 176.923 175.800 -0.296 0.000 1.096 370 F CA 1.320 59.210 58.000 -0.183 0.000 1.255 370 F CB -0.152 38.708 39.000 -0.233 0.000 0.997 370 F HN -0.016 nan 8.300 nan 0.000 0.479 371 F N 1.236 121.170 119.950 -0.026 0.000 2.676 371 F HA 0.162 4.689 4.527 0.000 0.000 0.300 371 F C 0.464 176.201 175.800 -0.106 0.000 1.160 371 F CA 0.055 57.993 58.000 -0.103 0.000 1.401 371 F CB -1.274 37.727 39.000 0.001 0.000 1.037 371 F HN -0.014 nan 8.300 nan 0.000 0.522 372 N N 0.481 119.166 118.700 -0.025 0.000 2.725 372 N HA -0.213 4.527 4.740 -0.000 0.000 0.251 372 N C 1.019 176.537 175.510 0.013 0.000 1.031 372 N CA 0.578 53.612 53.050 -0.026 0.000 0.720 372 N CB -1.332 37.118 38.487 -0.062 0.000 0.930 372 N HN 0.579 nan 8.380 nan 0.000 0.543 373 G N -0.854 107.967 108.800 0.034 0.000 2.176 373 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.253 373 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.253 373 G C 0.094 175.010 174.900 0.025 0.000 0.979 373 G CA 0.434 45.549 45.100 0.024 0.000 0.641 373 G HN 0.663 nan 8.290 nan 0.000 0.530 374 K N 1.224 121.654 120.400 0.049 0.000 2.447 374 K HA 0.205 4.525 4.320 -0.000 0.000 0.281 374 K C 0.196 176.785 176.600 -0.018 0.000 1.031 374 K CA -0.125 56.172 56.287 0.017 0.000 1.019 374 K CB 0.264 32.780 32.500 0.025 0.000 0.918 374 K HN 0.206 nan 8.250 nan 0.000 0.476 375 E N 6.002 126.180 120.200 -0.036 0.000 2.324 375 E HA 0.099 4.449 4.350 -0.000 0.000 0.271 375 E C -1.941 174.603 176.600 -0.093 0.000 1.028 375 E CA -1.493 54.876 56.400 -0.052 0.000 0.890 375 E CB 0.828 30.504 29.700 -0.040 0.000 1.004 375 E HN 0.582 nan 8.360 nan 0.000 0.431 376 P HA 0.179 nan 4.420 nan 0.000 0.278 376 P C -0.419 176.775 177.300 -0.176 0.000 1.266 376 P CA -0.601 62.401 63.100 -0.164 0.000 0.807 376 P CB 0.776 32.383 31.700 -0.155 0.000 1.094 377 C N 1.472 120.601 119.300 -0.285 0.000 2.416 377 C HA 0.258 4.718 4.460 -0.000 0.000 0.355 377 C C 1.460 176.264 174.990 -0.310 0.000 1.211 377 C CA -0.004 58.737 59.018 -0.462 0.000 1.699 377 C CB -1.732 25.414 27.740 -0.991 0.000 2.310 377 C HN 0.650 nan 8.230 nan 0.000 0.539 378 K N 1.574 121.944 120.400 -0.050 0.000 2.586 378 K HA 0.319 4.639 4.320 -0.000 0.000 0.198 378 K C 1.081 177.759 176.600 0.130 0.000 1.170 378 K CA 0.221 56.549 56.287 0.068 0.000 1.069 378 K CB -0.066 32.434 32.500 -0.000 0.000 0.944 378 K HN 0.408 nan 8.250 nan 0.000 0.572 379 A N 1.501 124.439 122.820 0.197 0.000 1.972 379 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 379 A C 0.970 178.551 177.584 -0.005 0.000 1.169 379 A CA 0.584 52.675 52.037 0.091 0.000 0.635 379 A CB -0.451 18.603 19.000 0.091 0.000 0.810 379 A HN 0.368 nan 8.150 nan 0.000 0.446 380 I N 1.135 121.672 120.570 -0.054 0.000 2.428 380 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 380 I C -0.324 175.760 176.117 -0.054 0.000 1.019 380 I CA -0.705 60.468 61.300 -0.211 0.000 1.351 380 I CB 0.650 38.285 38.000 -0.608 0.000 1.412 380 I HN 0.161 nan 8.210 nan 0.000 0.513 381 N N 8.686 127.354 118.700 -0.052 0.000 2.301 381 N HA -0.046 4.694 4.740 -0.000 0.000 0.267 381 N C -1.451 174.057 175.510 -0.004 0.000 1.304 381 N CA -0.435 52.602 53.050 -0.021 0.000 0.851 381 N CB 0.722 39.192 38.487 -0.028 0.000 1.070 381 N HN 0.420 nan 8.380 nan 0.000 0.483 382 P HA -0.148 nan 4.420 nan 0.000 0.219 382 P C 0.399 177.718 177.300 0.032 0.000 1.146 382 P CA 1.293 64.421 63.100 0.047 0.000 0.808 382 P CB 0.238 31.973 31.700 0.059 0.000 0.779 383 D N -0.842 119.559 120.400 0.002 0.000 2.340 383 D HA -0.045 4.595 4.640 -0.000 0.000 0.220 383 D C 1.264 177.558 176.300 -0.009 0.000 1.039 383 D CA 0.357 54.350 54.000 -0.011 0.000 0.866 383 D CB -0.466 40.300 40.800 -0.058 0.000 0.913 383 D HN 0.277 nan 8.370 nan 0.000 0.523 384 E N -0.275 119.922 120.200 -0.006 0.000 2.485 384 E HA 0.287 4.637 4.350 -0.000 0.000 0.213 384 E C 1.830 178.443 176.600 0.020 0.000 0.923 384 E CA 0.257 56.657 56.400 -0.000 0.000 1.054 384 E CB 0.480 30.175 29.700 -0.008 0.000 1.077 384 E HN 0.228 nan 8.360 nan 0.000 0.509 385 A N 1.243 124.063 122.820 0.000 0.000 1.908 385 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 385 A C 2.390 179.992 177.584 0.030 0.000 1.181 385 A CA 1.289 53.313 52.037 -0.022 0.000 0.627 385 A CB -0.669 18.345 19.000 0.024 0.000 0.818 385 A HN 0.104 nan 8.150 nan 0.000 0.445 386 V N -0.314 119.617 119.914 0.028 0.000 2.295 386 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 386 V C 3.049 179.155 176.094 0.020 0.000 1.049 386 V CA 1.965 64.273 62.300 0.014 0.000 1.024 386 V CB -1.197 30.621 31.823 -0.009 0.000 0.648 386 V HN 0.627 nan 8.190 nan 0.000 0.447 387 A N -1.250 121.582 122.820 0.021 0.000 1.930 387 A HA -0.254 4.065 4.320 -0.000 0.000 0.217 387 A C 2.156 179.751 177.584 0.018 0.000 1.175 387 A CA 1.955 53.996 52.037 0.006 0.000 0.627 387 A CB -0.775 18.217 19.000 -0.014 0.000 0.815 387 A HN 0.646 nan 8.150 nan 0.000 0.443 388 Y N 0.519 120.759 120.300 -0.100 0.000 2.097 388 Y HA -0.141 4.410 4.550 0.000 0.000 0.282 388 Y C 2.524 178.367 175.900 -0.095 0.000 1.152 388 Y CA 1.623 59.641 58.100 -0.137 0.000 1.136 388 Y CB -0.526 37.833 38.460 -0.169 0.000 0.975 388 Y HN 0.288 nan 8.280 nan 0.000 0.498 389 G N -0.422 108.517 108.800 0.231 0.000 2.418 389 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 389 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 389 G C 1.740 176.685 174.900 0.074 0.000 1.158 389 G CA 0.848 46.035 45.100 0.145 0.000 0.771 389 G HN 0.589 nan 8.290 nan 0.000 0.545 390 A N 1.046 123.889 122.820 0.039 0.000 1.933 390 A HA 0.297 4.617 4.320 -0.000 0.000 0.218 390 A C 2.768 180.388 177.584 0.059 0.000 1.175 390 A CA 2.138 54.189 52.037 0.024 0.000 0.628 390 A CB -0.622 18.380 19.000 0.003 0.000 0.814 390 A HN 0.733 nan 8.150 nan 0.000 0.444 391 A N -0.614 122.237 122.820 0.052 0.000 1.930 391 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 391 A C 2.203 180.019 177.584 0.388 0.000 1.175 391 A CA 1.579 53.691 52.037 0.125 0.000 0.627 391 A CB -0.779 18.147 19.000 -0.124 0.000 0.815 391 A HN 0.341 nan 8.150 nan 0.000 0.443 392 V N -0.076 119.996 119.914 0.263 0.000 2.295 392 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 392 V C 2.754 178.990 176.094 0.238 0.000 1.049 392 V CA 2.389 64.927 62.300 0.398 0.000 1.024 392 V CB -0.798 31.191 31.823 0.277 0.000 0.648 392 V HN 0.721 nan 8.190 nan 0.000 0.447 393 Q N 0.564 120.446 119.800 0.138 0.000 2.096 393 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 393 Q C 2.099 178.130 176.000 0.052 0.000 0.982 393 Q CA 2.244 58.089 55.803 0.070 0.000 0.850 393 Q CB -0.589 28.166 28.738 0.027 0.000 0.901 393 Q HN 0.597 nan 8.270 nan 0.000 0.422 394 A N 0.264 123.131 122.820 0.078 0.000 1.902 394 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 394 A C 2.301 179.873 177.584 -0.021 0.000 1.181 394 A CA 1.897 53.963 52.037 0.048 0.000 0.623 394 A CB -1.219 17.834 19.000 0.089 0.000 0.818 394 A HN 0.548 nan 8.150 nan 0.000 0.443 395 A N 0.028 122.806 122.820 -0.070 0.000 1.902 395 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 395 A C 2.124 179.556 177.584 -0.253 0.000 1.181 395 A CA 1.506 53.317 52.037 -0.378 0.000 0.623 395 A CB -0.627 17.806 19.000 -0.945 0.000 0.818 395 A HN 0.508 nan 8.150 nan 0.000 0.443 396 I N -0.254 120.239 120.570 -0.129 0.000 2.127 396 I HA -0.284 3.886 4.170 -0.000 0.000 0.241 396 I C 2.362 178.441 176.117 -0.064 0.000 1.075 396 I CA 1.361 62.615 61.300 -0.078 0.000 1.334 396 I CB -0.451 37.542 38.000 -0.012 0.000 1.040 396 I HN 0.278 nan 8.210 nan 0.000 0.405 397 L N 0.342 121.539 121.223 -0.042 0.000 2.131 397 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 397 L C 2.091 178.934 176.870 -0.044 0.000 1.092 397 L CA 1.227 56.048 54.840 -0.031 0.000 0.759 397 L CB -0.687 41.363 42.059 -0.014 0.000 0.903 397 L HN 0.321 nan 8.230 nan 0.000 0.435 398 N N -0.147 118.511 118.700 -0.070 0.000 2.494 398 N HA 0.047 4.787 4.740 -0.000 0.000 0.182 398 N C 0.721 176.179 175.510 -0.087 0.000 1.076 398 N CA 0.828 53.832 53.050 -0.076 0.000 0.908 398 N CB 0.298 38.725 38.487 -0.099 0.000 0.967 398 N HN 0.352 nan 8.380 nan 0.000 0.449 399 G N 0.000 108.741 108.800 -0.099 0.000 5.446 399 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 399 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 399 G CA 0.000 45.044 45.100 -0.093 0.000 0.502 399 G HN 0.000 nan 8.290 nan 0.000 0.925