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 2v05_1_A DATA FIRST_RESID 1 DATA SEQUENCE NTTGGRFVDK DNRKYYVKDD HKAIYWHKID GKTYYFGDIG EMVVGWQYLE DATA SEQUENCE IPGTGYRDNL FDNQPVNEIG LQEKWYYFGQ DGALLEQTDK QVLEAKTSEN DATA SEQUENCE TGKVYGEQYP LSAEKRTYYF DNNYAVKTGW IYEDGNWYYL NKLGNFXXXX DATA SEQUENCE YNPLPIGEVA KGWTQDFHXX XXXXXXXPAP WYYLDASGKM LTDWQKVNGK DATA SEQUENCE WYYFGSSGSM ATGWKYVRGK WYYLDNKNGD MKTGWQYLGN KWYYLRSSGA DATA SEQUENCE MVTGWYQDGL TWYYLNAGNG DMKTGWFQVN GKWYYAYSSG ALAVNTTVDG DATA SEQUENCE YSVNYNGEWV Q 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 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.587 175.510 0.128 0.000 1.280 1 N CA 0.000 53.107 53.050 0.095 0.000 0.885 1 N CB 0.000 38.528 38.487 0.069 0.000 1.341 2 T N 1.818 116.467 114.554 0.160 0.000 2.744 2 T HA 0.641 4.991 4.350 0.001 0.000 0.291 2 T C 0.150 174.949 174.700 0.164 0.000 0.957 2 T CA 0.241 62.467 62.100 0.210 0.000 1.002 2 T CB 1.403 70.424 68.868 0.255 0.000 0.919 2 T HN 0.442 nan 8.240 nan 0.000 0.468 3 T N -0.605 114.062 114.554 0.187 0.000 2.838 3 T HA 0.716 5.067 4.350 0.001 0.000 0.292 3 T C 0.953 175.748 174.700 0.160 0.000 1.113 3 T CA -0.128 62.075 62.100 0.172 0.000 1.008 3 T CB 1.602 70.537 68.868 0.111 0.000 1.259 3 T HN 0.862 nan 8.240 nan 0.000 0.520 4 G N -0.782 108.083 108.800 0.107 0.000 2.199 4 G HA2 0.051 4.012 3.960 0.001 0.000 0.254 4 G HA3 0.051 4.012 3.960 0.001 0.000 0.254 4 G C 0.528 175.401 174.900 -0.046 0.000 0.982 4 G CA 0.314 45.429 45.100 0.025 0.000 0.632 4 G HN 1.372 nan 8.290 nan 0.000 0.529 5 G N -0.512 108.260 108.800 -0.047 0.000 2.795 5 G HA2 0.885 4.846 3.960 0.001 0.000 0.267 5 G HA3 0.885 4.846 3.960 0.001 0.000 0.267 5 G C -0.191 174.354 174.900 -0.591 0.000 1.362 5 G CA -0.148 44.684 45.100 -0.447 0.000 1.048 5 G HN 1.204 nan 8.290 nan 0.000 0.547 6 R N -1.737 118.158 120.500 -1.009 0.000 2.643 6 R HA 0.452 4.793 4.340 0.001 0.000 0.269 6 R C -1.735 174.172 176.300 -0.656 0.000 1.037 6 R CA -0.833 54.921 56.100 -0.576 0.000 0.894 6 R CB 0.840 30.988 30.300 -0.254 0.000 1.238 6 R HN 0.299 nan 8.270 nan 0.000 0.459 7 F N 1.253 121.105 119.950 -0.162 0.000 2.471 7 F HA 0.367 4.894 4.527 0.001 0.000 0.353 7 F C 0.221 175.962 175.800 -0.098 0.000 1.113 7 F CA 0.078 58.032 58.000 -0.078 0.000 1.262 7 F CB 1.581 40.560 39.000 -0.035 0.000 1.146 7 F HN 0.118 nan 8.300 nan 0.000 0.578 8 V N 3.078 123.059 119.914 0.113 0.000 2.577 8 V HA 0.216 4.337 4.120 0.001 0.000 0.303 8 V C -0.733 175.417 176.094 0.094 0.000 1.042 8 V CA -1.125 61.221 62.300 0.076 0.000 0.872 8 V CB 1.913 33.770 31.823 0.055 0.000 0.998 8 V HN 0.559 nan 8.190 nan 0.000 0.423 9 D N 4.500 124.937 120.400 0.061 0.000 2.316 9 D HA 0.438 5.079 4.640 0.001 0.000 0.245 9 D C -0.239 176.123 176.300 0.104 0.000 1.171 9 D CA 0.088 54.125 54.000 0.062 0.000 0.856 9 D CB 1.790 42.624 40.800 0.058 0.000 1.090 9 D HN 0.520 nan 8.370 nan 0.000 0.476 10 K N 1.937 122.429 120.400 0.154 0.000 2.543 10 K HA 0.120 4.441 4.320 0.001 0.000 0.255 10 K C -1.053 175.672 176.600 0.208 0.000 0.934 10 K CA -0.491 55.908 56.287 0.187 0.000 0.810 10 K CB 1.354 33.991 32.500 0.228 0.000 1.315 10 K HN 0.060 nan 8.250 nan 0.000 0.433 11 D N 3.312 123.794 120.400 0.137 0.000 2.772 11 D HA -0.257 4.383 4.640 0.001 0.000 0.233 11 D C -0.502 175.854 176.300 0.092 0.000 1.143 11 D CA 1.626 55.696 54.000 0.117 0.000 0.700 11 D CB -1.068 39.823 40.800 0.153 0.000 1.076 11 D HN 1.013 nan 8.370 nan 0.000 0.430 12 N N -0.644 118.103 118.700 0.077 0.000 2.725 12 N HA -0.280 4.461 4.740 0.001 0.000 0.249 12 N C -0.571 174.972 175.510 0.055 0.000 1.103 12 N CA 0.953 54.041 53.050 0.063 0.000 0.707 12 N CB -0.112 38.400 38.487 0.041 0.000 1.043 12 N HN 0.268 nan 8.380 nan 0.000 0.553 13 R N 0.339 120.851 120.500 0.020 0.000 2.855 13 R HA 0.448 4.788 4.340 0.001 0.000 0.266 13 R C -0.735 175.426 176.300 -0.231 0.000 1.034 13 R CA -0.680 55.343 56.100 -0.127 0.000 0.944 13 R CB 1.164 31.256 30.300 -0.348 0.000 1.219 13 R HN 0.134 nan 8.270 nan 0.000 0.474 14 K N 0.867 121.059 120.400 -0.347 0.000 2.376 14 K HA 0.462 4.783 4.320 0.001 0.000 0.257 14 K C -1.490 174.889 176.600 -0.368 0.000 0.939 14 K CA -0.258 55.839 56.287 -0.317 0.000 0.809 14 K CB 0.847 33.116 32.500 -0.386 0.000 1.121 14 K HN 0.415 nan 8.250 nan 0.000 0.425 15 Y N 1.748 122.094 120.300 0.076 0.000 2.587 15 Y HA 0.417 4.967 4.550 0.001 0.000 0.337 15 Y C -1.006 174.811 175.900 -0.138 0.000 1.065 15 Y CA -1.020 57.063 58.100 -0.029 0.000 1.126 15 Y CB 1.422 39.819 38.460 -0.106 0.000 1.279 15 Y HN 0.458 nan 8.280 nan 0.000 0.489 16 Y N 1.291 121.272 120.300 -0.531 0.000 2.345 16 Y HA 0.646 5.197 4.550 0.001 0.000 0.331 16 Y C -1.412 174.202 175.900 -0.477 0.000 0.959 16 Y CA -1.004 56.635 58.100 -0.769 0.000 1.204 16 Y CB 0.856 38.505 38.460 -1.352 0.000 1.135 16 Y HN 0.369 nan 8.280 nan 0.000 0.477 17 V N 7.194 126.738 119.914 -0.617 0.000 2.384 17 V HA 0.408 4.529 4.120 0.001 0.000 0.287 17 V C -0.604 175.223 176.094 -0.445 0.000 1.020 17 V CA -0.976 61.104 62.300 -0.367 0.000 0.850 17 V CB 1.460 33.115 31.823 -0.279 0.000 0.987 17 V HN 0.661 nan 8.190 nan 0.000 0.436 18 K N 3.706 123.963 120.400 -0.239 0.000 2.502 18 K HA 0.316 4.637 4.320 0.001 0.000 0.254 18 K C -0.570 175.861 176.600 -0.281 0.000 0.947 18 K CA -0.462 55.656 56.287 -0.283 0.000 0.834 18 K CB 1.031 33.389 32.500 -0.236 0.000 1.112 18 K HN 0.776 nan 8.250 nan 0.000 0.427 19 D N 3.927 124.181 120.400 -0.244 0.000 2.751 19 D HA -0.200 4.441 4.640 0.001 0.000 0.233 19 D C -0.641 175.435 176.300 -0.372 0.000 1.149 19 D CA 1.458 55.317 54.000 -0.234 0.000 0.682 19 D CB -0.563 40.138 40.800 -0.166 0.000 1.068 19 D HN 0.930 nan 8.370 nan 0.000 0.429 20 D N -1.611 118.575 120.400 -0.357 0.000 3.077 20 D HA -0.174 4.466 4.640 0.001 0.000 0.212 20 D C 0.042 176.026 176.300 -0.526 0.000 1.125 20 D CA 1.135 54.887 54.000 -0.413 0.000 0.970 20 D CB -1.004 39.563 40.800 -0.388 0.000 1.110 20 D HN 0.607 nan 8.370 nan 0.000 0.419 21 H N 0.193 119.180 119.070 -0.138 0.000 2.573 21 H HA 0.468 5.025 4.556 0.001 0.000 0.351 21 H C 0.697 176.052 175.328 0.044 0.000 1.163 21 H CA -0.267 55.748 56.048 -0.056 0.000 1.205 21 H CB 1.305 31.039 29.762 -0.048 0.000 1.605 21 H HN -0.131 nan 8.280 nan 0.000 0.525 22 K N 0.987 121.481 120.400 0.157 0.000 2.201 22 K HA 0.478 4.799 4.320 0.001 0.000 0.278 22 K C -0.056 176.513 176.600 -0.052 0.000 1.027 22 K CA -0.678 55.613 56.287 0.006 0.000 0.909 22 K CB 1.532 33.956 32.500 -0.126 0.000 1.062 22 K HN 0.616 nan 8.250 nan 0.000 0.465 23 A N 3.921 126.449 122.820 -0.487 0.000 2.511 23 A HA 0.280 4.601 4.320 0.001 0.000 0.242 23 A C 0.208 177.427 177.584 -0.608 0.000 1.069 23 A CA -0.163 51.181 52.037 -1.155 0.000 0.763 23 A CB -0.435 17.475 19.000 -1.817 0.000 1.001 23 A HN 0.812 nan 8.150 nan 0.000 0.498 24 I N -1.060 119.330 120.570 -0.300 0.000 2.892 24 I HA 0.800 4.970 4.170 0.001 0.000 0.306 24 I C 0.036 176.106 176.117 -0.078 0.000 1.078 24 I CA -1.141 60.010 61.300 -0.248 0.000 1.032 24 I CB 1.006 38.815 38.000 -0.320 0.000 1.229 24 I HN 0.896 nan 8.210 nan 0.000 0.435 25 Y N 0.620 120.742 120.300 -0.297 0.000 2.909 25 Y HA -0.314 4.237 4.550 0.001 0.000 0.465 25 Y C -0.409 175.356 175.900 -0.226 0.000 1.206 25 Y CA 0.982 58.752 58.100 -0.549 0.000 2.474 25 Y CB -1.054 37.332 38.460 -0.123 0.000 1.242 25 Y HN 0.622 nan 8.280 nan 0.000 0.634 26 W N 2.376 123.821 121.300 0.241 0.000 2.272 26 W HA 0.484 5.144 4.660 0.001 0.000 0.318 26 W C -0.051 176.460 176.519 -0.013 0.000 1.255 26 W CA 0.138 57.619 57.345 0.226 0.000 1.200 26 W CB 0.458 30.025 29.460 0.179 0.000 1.170 26 W HN 0.100 nan 8.180 nan 0.000 0.549 27 H N 1.907 121.241 119.070 0.439 0.000 2.865 27 H HA 0.265 4.822 4.556 0.001 0.000 0.362 27 H C -0.780 174.728 175.328 0.300 0.000 1.114 27 H CA -1.091 55.126 56.048 0.283 0.000 1.208 27 H CB 2.168 32.040 29.762 0.183 0.000 1.727 27 H HN 0.229 nan 8.280 nan 0.000 0.534 28 K N 3.631 124.204 120.400 0.287 0.000 2.264 28 K HA 0.438 4.758 4.320 0.001 0.000 0.277 28 K C -0.412 176.321 176.600 0.222 0.000 1.067 28 K CA -0.241 56.187 56.287 0.236 0.000 0.900 28 K CB 0.991 33.577 32.500 0.142 0.000 1.124 28 K HN 0.357 nan 8.250 nan 0.000 0.469 29 I N 2.524 123.268 120.570 0.290 0.000 2.439 29 I HA 0.055 4.226 4.170 0.001 0.000 0.285 29 I C -0.198 176.084 176.117 0.275 0.000 1.021 29 I CA -0.476 60.952 61.300 0.212 0.000 1.091 29 I CB 1.587 39.622 38.000 0.058 0.000 1.242 29 I HN 0.644 nan 8.210 nan 0.000 0.439 30 D N 5.416 125.930 120.400 0.189 0.000 2.723 30 D HA -0.187 4.454 4.640 0.001 0.000 0.236 30 D C 1.046 177.435 176.300 0.149 0.000 1.138 30 D CA 1.658 55.761 54.000 0.170 0.000 0.676 30 D CB -0.734 40.189 40.800 0.205 0.000 1.069 30 D HN 1.134 nan 8.370 nan 0.000 0.430 31 G N -0.587 108.285 108.800 0.120 0.000 2.159 31 G HA2 -0.330 3.630 3.960 0.001 0.000 0.256 31 G HA3 -0.330 3.630 3.960 0.001 0.000 0.256 31 G C 0.338 175.266 174.900 0.046 0.000 0.977 31 G CA 0.865 46.009 45.100 0.073 0.000 0.652 31 G HN 0.638 nan 8.290 nan 0.000 0.531 32 K N -0.612 119.841 120.400 0.089 0.000 2.444 32 K HA 0.704 5.024 4.320 0.001 0.000 0.252 32 K C -0.870 175.719 176.600 -0.020 0.000 0.993 32 K CA -0.726 55.541 56.287 -0.033 0.000 0.847 32 K CB 1.880 34.327 32.500 -0.088 0.000 1.340 32 K HN 0.043 nan 8.250 nan 0.000 0.446 33 T N 1.180 115.608 114.554 -0.210 0.000 2.829 33 T HA 0.548 4.898 4.350 0.001 0.000 0.280 33 T C -1.315 173.290 174.700 -0.160 0.000 0.999 33 T CA -0.568 61.529 62.100 -0.006 0.000 0.983 33 T CB 0.385 69.294 68.868 0.068 0.000 0.968 33 T HN 0.315 nan 8.240 nan 0.000 0.446 34 Y N 0.733 121.207 120.300 0.290 0.000 2.605 34 Y HA 0.657 5.207 4.550 0.001 0.000 0.343 34 Y C -0.896 174.968 175.900 -0.060 0.000 1.036 34 Y CA -1.354 56.786 58.100 0.068 0.000 1.065 34 Y CB 1.722 40.093 38.460 -0.149 0.000 1.288 34 Y HN 0.687 nan 8.280 nan 0.000 0.481 35 Y N 0.747 120.691 120.300 -0.593 0.000 2.421 35 Y HA 0.481 5.032 4.550 0.001 0.000 0.339 35 Y C -1.445 173.926 175.900 -0.882 0.000 0.996 35 Y CA -1.444 56.188 58.100 -0.779 0.000 1.046 35 Y CB 0.908 38.667 38.460 -1.168 0.000 1.226 35 Y HN 0.587 nan 8.280 nan 0.000 0.445 36 F N 3.823 123.329 119.950 -0.739 0.000 2.683 36 F HA 0.442 4.970 4.527 0.001 0.000 0.306 36 F C 1.282 176.659 175.800 -0.705 0.000 1.102 36 F CA 0.149 57.830 58.000 -0.532 0.000 1.244 36 F CB 0.599 39.388 39.000 -0.351 0.000 1.029 36 F HN 0.881 nan 8.300 nan 0.000 0.545 37 G N 1.839 109.961 108.800 -1.129 0.000 2.601 37 G HA2 -0.384 3.577 3.960 0.001 0.000 0.261 37 G HA3 -0.384 3.577 3.960 0.001 0.000 0.261 37 G C 0.670 174.970 174.900 -1.000 0.000 1.289 37 G CA 0.481 45.108 45.100 -0.787 0.000 0.920 37 G HN 0.371 nan 8.290 nan 0.000 0.571 38 D N -0.433 119.621 120.400 -0.576 0.000 2.305 38 D HA 0.042 4.682 4.640 0.001 0.000 0.206 38 D C 2.155 178.286 176.300 -0.283 0.000 0.974 38 D CA 1.696 55.397 54.000 -0.498 0.000 0.871 38 D CB -0.125 40.622 40.800 -0.088 0.000 0.947 38 D HN 1.178 nan 8.370 nan 0.000 0.516 39 I N -5.713 114.743 120.570 -0.191 0.000 4.338 39 I HA 0.609 4.780 4.170 0.001 0.000 0.329 39 I C 1.218 177.321 176.117 -0.024 0.000 1.378 39 I CA 0.041 61.292 61.300 -0.082 0.000 1.170 39 I CB 1.203 39.192 38.000 -0.017 0.000 1.206 39 I HN 0.049 nan 8.210 nan 0.000 0.432 40 G N 1.245 110.024 108.800 -0.035 0.000 2.205 40 G HA2 -0.188 3.773 3.960 0.001 0.000 0.180 40 G HA3 -0.188 3.773 3.960 0.001 0.000 0.180 40 G C -0.198 174.851 174.900 0.249 0.000 1.004 40 G CA -0.357 44.797 45.100 0.089 0.000 0.670 40 G HN 0.505 nan 8.290 nan 0.000 0.496 41 E N 1.168 121.439 120.200 0.117 0.000 2.220 41 E HA 0.361 4.712 4.350 0.001 0.000 0.272 41 E C 0.803 177.400 176.600 -0.004 0.000 1.099 41 E CA -0.256 56.131 56.400 -0.022 0.000 0.907 41 E CB 0.745 30.423 29.700 -0.036 0.000 1.022 41 E HN 0.463 nan 8.360 nan 0.000 0.428 42 M N 4.420 124.047 119.600 0.045 0.000 2.252 42 M HA 0.009 4.489 4.480 0.001 0.000 0.348 42 M C -0.223 175.985 176.300 -0.155 0.000 1.334 42 M CA -0.291 54.942 55.300 -0.111 0.000 1.071 42 M CB 0.392 32.985 32.600 -0.013 0.000 1.763 42 M HN 0.363 nan 8.290 nan 0.000 0.452 43 V N 5.042 124.763 119.914 -0.323 0.000 2.863 43 V HA 0.824 4.945 4.120 0.001 0.000 0.307 43 V C -0.383 175.513 176.094 -0.330 0.000 1.061 43 V CA -0.636 61.469 62.300 -0.325 0.000 1.024 43 V CB 1.245 32.786 31.823 -0.469 0.000 1.049 43 V HN 0.795 nan 8.190 nan 0.000 0.471 44 V N 0.298 120.109 119.914 -0.171 0.000 3.130 44 V HA 1.069 5.189 4.120 0.001 0.000 0.310 44 V C 0.577 176.639 176.094 -0.052 0.000 1.158 44 V CA 0.077 62.338 62.300 -0.066 0.000 1.029 44 V CB 0.755 32.616 31.823 0.063 0.000 1.057 44 V HN 2.514 nan 8.190 nan 0.000 0.436 45 G N 0.806 109.502 108.800 -0.174 0.000 2.569 45 G HA2 -0.285 3.675 3.960 0.001 0.000 0.259 45 G HA3 -0.285 3.675 3.960 0.001 0.000 0.259 45 G C -0.530 174.213 174.900 -0.261 0.000 1.263 45 G CA 0.358 45.240 45.100 -0.364 0.000 0.928 45 G HN 1.474 nan 8.290 nan 0.000 0.572 46 W N 1.380 122.749 121.300 0.116 0.000 2.253 46 W HA 0.568 5.229 4.660 0.001 0.000 0.322 46 W C 0.617 177.391 176.519 0.426 0.000 1.342 46 W CA -0.003 57.539 57.345 0.329 0.000 1.218 46 W CB 0.763 30.349 29.460 0.210 0.000 1.205 46 W HN 0.422 nan 8.180 nan 0.000 0.551 47 Q N 3.410 123.757 119.800 0.912 0.000 2.289 47 Q HA 0.129 4.469 4.340 0.001 0.000 0.270 47 Q C -1.786 174.469 176.000 0.424 0.000 1.038 47 Q CA -1.169 54.964 55.803 0.551 0.000 0.812 47 Q CB 2.194 31.126 28.738 0.323 0.000 1.300 47 Q HN 0.515 nan 8.270 nan 0.000 0.427 48 Y N 3.728 123.857 120.300 -0.285 0.000 2.504 48 Y HA 0.515 5.066 4.550 0.001 0.000 0.339 48 Y C -1.151 174.605 175.900 -0.241 0.000 0.974 48 Y CA -0.267 57.425 58.100 -0.681 0.000 1.232 48 Y CB 0.370 38.038 38.460 -1.319 0.000 1.108 48 Y HN 0.517 nan 8.280 nan 0.000 0.509 49 L N 3.925 124.992 121.223 -0.261 0.000 2.350 49 L HA 0.473 4.813 4.340 0.001 0.000 0.260 49 L C -0.270 176.588 176.870 -0.020 0.000 1.015 49 L CA -1.395 53.361 54.840 -0.139 0.000 0.821 49 L CB 2.229 44.139 42.059 -0.249 0.000 1.370 49 L HN 0.422 nan 8.230 nan 0.000 0.416 50 E N 1.988 122.223 120.200 0.058 0.000 2.452 50 E HA 0.092 4.443 4.350 0.001 0.000 0.261 50 E C -0.300 176.476 176.600 0.293 0.000 0.987 50 E CA -0.112 56.366 56.400 0.130 0.000 0.926 50 E CB 0.783 30.561 29.700 0.129 0.000 0.934 50 E HN 0.368 nan 8.360 nan 0.000 0.452 51 I N 1.117 121.784 120.570 0.162 0.000 2.648 51 I HA 0.192 4.363 4.170 0.001 0.000 0.284 51 I C -2.065 173.975 176.117 -0.128 0.000 1.153 51 I CA -1.869 59.480 61.300 0.081 0.000 1.426 51 I CB 0.122 38.154 38.000 0.054 0.000 1.381 51 I HN 0.258 nan 8.210 nan 0.000 0.571 52 P HA 0.302 nan 4.420 nan 0.000 0.278 52 P C 0.568 177.638 177.300 -0.385 0.000 1.258 52 P CA 0.235 62.827 63.100 -0.846 0.000 0.811 52 P CB 1.450 32.133 31.700 -1.694 0.000 1.063 53 G N 0.074 108.716 108.800 -0.263 0.000 2.218 53 G HA2 -0.265 3.695 3.960 0.001 0.000 0.216 53 G HA3 -0.265 3.695 3.960 0.001 0.000 0.216 53 G C 0.937 175.779 174.900 -0.096 0.000 0.994 53 G CA 0.527 45.531 45.100 -0.160 0.000 0.637 53 G HN 0.718 nan 8.290 nan 0.000 0.505 54 T N -1.595 112.925 114.554 -0.058 0.000 3.023 54 T HA 0.388 4.739 4.350 0.001 0.000 0.266 54 T C 2.621 177.222 174.700 -0.164 0.000 1.093 54 T CA 2.216 64.307 62.100 -0.015 0.000 1.129 54 T CB 0.060 69.033 68.868 0.175 0.000 0.899 54 T HN 2.285 nan 8.240 nan 0.000 0.491 55 G N 0.232 108.931 108.800 -0.168 0.000 2.279 55 G HA2 -0.292 3.669 3.960 0.001 0.000 0.223 55 G HA3 -0.292 3.669 3.960 0.001 0.000 0.223 55 G C 0.708 175.443 174.900 -0.274 0.000 1.015 55 G CA 0.215 45.156 45.100 -0.266 0.000 0.621 55 G HN 0.571 nan 8.290 nan 0.000 0.506 56 Y N 0.537 120.823 120.300 -0.023 0.000 2.516 56 Y HA 0.291 4.842 4.550 0.001 0.000 0.291 56 Y C 2.312 178.169 175.900 -0.071 0.000 1.131 56 Y CA 1.079 59.156 58.100 -0.037 0.000 1.281 56 Y CB 0.367 38.800 38.460 -0.045 0.000 1.013 56 Y HN 0.076 nan 8.280 nan 0.000 0.554 57 R N 0.768 121.317 120.500 0.081 0.000 2.698 57 R HA 0.246 4.587 4.340 0.001 0.000 0.422 57 R C -1.475 174.952 176.300 0.211 0.000 1.073 57 R CA -0.053 56.077 56.100 0.050 0.000 1.054 57 R CB 0.033 30.385 30.300 0.086 0.000 1.373 57 R HN 0.309 nan 8.270 nan 0.000 0.593 58 D N -0.501 119.943 120.400 0.074 0.000 2.934 58 D HA 0.148 4.788 4.640 0.001 0.000 0.230 58 D C -0.223 175.997 176.300 -0.134 0.000 1.204 58 D CA -0.623 53.373 54.000 -0.006 0.000 0.873 58 D CB 1.270 42.056 40.800 -0.023 0.000 1.645 58 D HN -0.144 nan 8.370 nan 0.000 0.502 59 N N 0.967 119.432 118.700 -0.392 0.000 2.721 59 N HA -0.184 4.557 4.740 0.001 0.000 0.249 59 N C -1.465 174.017 175.510 -0.047 0.000 1.072 59 N CA 0.661 53.516 53.050 -0.324 0.000 0.710 59 N CB -0.867 37.597 38.487 -0.038 0.000 0.993 59 N HN 0.505 nan 8.380 nan 0.000 0.547 60 L N -0.071 121.088 121.223 -0.107 0.000 2.331 60 L HA 0.633 4.974 4.340 0.001 0.000 0.275 60 L C 0.189 177.082 176.870 0.038 0.000 1.022 60 L CA -0.814 54.097 54.840 0.118 0.000 0.812 60 L CB 0.848 42.997 42.059 0.151 0.000 1.257 60 L HN -0.069 nan 8.230 nan 0.000 0.435 61 F N -0.515 119.511 119.950 0.126 0.000 2.598 61 F HA 0.244 4.771 4.527 0.001 0.000 0.327 61 F C 0.923 176.726 175.800 0.005 0.000 1.057 61 F CA -0.705 57.325 58.000 0.050 0.000 0.957 61 F CB 1.184 40.186 39.000 0.004 0.000 1.278 61 F HN 0.572 nan 8.300 nan 0.000 0.484 62 D N -0.847 119.647 120.400 0.157 0.000 2.363 62 D HA -0.134 4.507 4.640 0.001 0.000 0.220 62 D C 0.899 177.228 176.300 0.049 0.000 0.994 62 D CA 0.699 54.739 54.000 0.067 0.000 0.890 62 D CB -0.677 40.136 40.800 0.022 0.000 0.906 62 D HN 0.570 nan 8.370 nan 0.000 0.530 63 N N 0.155 118.859 118.700 0.007 0.000 2.467 63 N HA -0.114 4.626 4.740 0.001 0.000 0.184 63 N C 0.085 175.564 175.510 -0.052 0.000 1.106 63 N CA 0.080 53.078 53.050 -0.085 0.000 0.892 63 N CB 0.071 38.327 38.487 -0.385 0.000 0.969 63 N HN 0.296 nan 8.380 nan 0.000 0.454 64 Q N 1.043 120.849 119.800 0.010 0.000 2.226 64 Q HA 0.475 4.815 4.340 0.001 0.000 0.256 64 Q C -2.391 173.642 176.000 0.055 0.000 0.962 64 Q CA -1.960 53.863 55.803 0.033 0.000 0.887 64 Q CB 1.144 29.925 28.738 0.072 0.000 1.282 64 Q HN 0.166 nan 8.270 nan 0.000 0.449 65 P HA 0.101 nan 4.420 nan 0.000 0.271 65 P C -1.146 176.205 177.300 0.086 0.000 1.218 65 P CA -0.235 62.902 63.100 0.061 0.000 0.780 65 P CB 0.597 32.326 31.700 0.048 0.000 0.901 66 V N 2.837 122.806 119.914 0.093 0.000 2.409 66 V HA 0.218 4.339 4.120 0.001 0.000 0.291 66 V C 0.492 176.630 176.094 0.074 0.000 1.020 66 V CA -0.822 61.541 62.300 0.105 0.000 0.848 66 V CB 0.964 32.881 31.823 0.156 0.000 0.990 66 V HN 0.552 nan 8.190 nan 0.000 0.430 67 N N 2.888 121.636 118.700 0.081 0.000 2.412 67 N HA -0.034 4.706 4.740 0.001 0.000 0.258 67 N C 1.278 176.781 175.510 -0.012 0.000 1.236 67 N CA 0.168 53.244 53.050 0.044 0.000 0.882 67 N CB 0.616 39.149 38.487 0.077 0.000 1.066 67 N HN 0.874 nan 8.380 nan 0.000 0.465 68 E N 3.937 124.122 120.200 -0.024 0.000 2.485 68 E HA -0.058 4.292 4.350 0.001 0.000 0.194 68 E C 0.323 176.885 176.600 -0.062 0.000 1.098 68 E CA -0.120 56.263 56.400 -0.027 0.000 0.878 68 E CB -0.053 29.640 29.700 -0.012 0.000 0.939 68 E HN 0.578 nan 8.360 nan 0.000 0.503 69 I N 2.060 122.559 120.570 -0.119 0.000 2.668 69 I HA 0.019 4.190 4.170 0.001 0.000 0.285 69 I C 0.331 176.383 176.117 -0.109 0.000 1.168 69 I CA 0.176 61.379 61.300 -0.163 0.000 1.424 69 I CB 0.469 38.267 38.000 -0.337 0.000 1.377 69 I HN 0.133 nan 8.210 nan 0.000 0.560 70 G N 8.510 117.264 108.800 -0.078 0.000 2.530 70 G HA2 0.389 4.350 3.960 0.001 0.000 0.313 70 G HA3 0.389 4.350 3.960 0.001 0.000 0.313 70 G C -0.231 174.640 174.900 -0.049 0.000 0.971 70 G CA -0.594 44.478 45.100 -0.047 0.000 1.237 70 G HN 0.583 nan 8.290 nan 0.000 0.446 71 L N 1.519 122.716 121.223 -0.044 0.000 2.453 71 L HA 0.217 4.557 4.340 0.001 0.000 0.261 71 L C 0.738 177.593 176.870 -0.024 0.000 1.179 71 L CA -0.954 53.868 54.840 -0.030 0.000 0.813 71 L CB 0.722 42.778 42.059 -0.004 0.000 1.110 71 L HN 0.336 nan 8.230 nan 0.000 0.466 72 Q N 1.553 121.339 119.800 -0.023 0.000 2.432 72 Q HA 0.105 4.445 4.340 0.001 0.000 0.264 72 Q C -0.730 175.226 176.000 -0.072 0.000 1.035 72 Q CA 0.461 56.243 55.803 -0.036 0.000 0.908 72 Q CB 0.800 29.523 28.738 -0.025 0.000 1.280 72 Q HN 0.503 nan 8.270 nan 0.000 0.455 73 E N 0.986 121.086 120.200 -0.168 0.000 2.244 73 E HA 0.543 4.894 4.350 0.001 0.000 0.266 73 E C -0.714 175.563 176.600 -0.539 0.000 0.914 73 E CA -0.652 55.492 56.400 -0.426 0.000 0.794 73 E CB 1.965 31.189 29.700 -0.794 0.000 1.210 73 E HN 0.233 nan 8.360 nan 0.000 0.414 74 K N 0.920 120.972 120.400 -0.579 0.000 2.533 74 K HA 0.346 4.667 4.320 0.001 0.000 0.272 74 K C -1.358 174.974 176.600 -0.448 0.000 0.985 74 K CA -0.924 55.112 56.287 -0.417 0.000 0.876 74 K CB 1.564 33.891 32.500 -0.288 0.000 1.452 74 K HN 0.398 nan 8.250 nan 0.000 0.439 75 W N 1.163 122.386 121.300 -0.130 0.000 2.272 75 W HA 0.308 4.968 4.660 0.001 0.000 0.318 75 W C -0.389 175.972 176.519 -0.264 0.000 1.255 75 W CA 0.048 57.419 57.345 0.044 0.000 1.200 75 W CB 0.480 30.011 29.460 0.118 0.000 1.170 75 W HN 0.374 nan 8.180 nan 0.000 0.549 76 Y N 1.692 122.400 120.300 0.681 0.000 2.545 76 Y HA 0.366 4.916 4.550 0.001 0.000 0.348 76 Y C -0.971 175.159 175.900 0.383 0.000 1.002 76 Y CA -1.531 56.841 58.100 0.454 0.000 1.039 76 Y CB 1.487 40.118 38.460 0.285 0.000 1.271 76 Y HN 0.252 nan 8.280 nan 0.000 0.467 77 Y N 2.072 122.385 120.300 0.022 0.000 2.352 77 Y HA 0.627 5.178 4.550 0.001 0.000 0.339 77 Y C -1.742 173.916 175.900 -0.403 0.000 0.992 77 Y CA -1.669 56.209 58.100 -0.369 0.000 1.100 77 Y CB 0.710 38.726 38.460 -0.740 0.000 1.192 77 Y HN 0.464 nan 8.280 nan 0.000 0.458 78 F N 3.207 122.728 119.950 -0.716 0.000 2.508 78 F HA 0.627 5.154 4.527 0.001 0.000 0.325 78 F C 0.890 176.307 175.800 -0.638 0.000 1.090 78 F CA -0.786 56.927 58.000 -0.478 0.000 0.945 78 F CB 1.576 40.395 39.000 -0.301 0.000 1.156 78 F HN 0.645 nan 8.300 nan 0.000 0.463 79 G N 0.969 109.673 108.800 -0.160 0.000 2.684 79 G HA2 0.107 4.067 3.960 0.001 0.000 0.255 79 G HA3 0.107 4.067 3.960 0.001 0.000 0.255 79 G C 0.442 175.319 174.900 -0.039 0.000 1.219 79 G CA -0.372 44.672 45.100 -0.093 0.000 0.901 79 G HN 0.586 nan 8.290 nan 0.000 0.548 80 Q N -0.129 119.670 119.800 -0.003 0.000 2.436 80 Q HA -0.063 4.277 4.340 0.001 0.000 0.209 80 Q C 1.596 177.680 176.000 0.140 0.000 0.965 80 Q CA 1.050 56.877 55.803 0.040 0.000 0.910 80 Q CB 0.151 28.887 28.738 -0.002 0.000 0.980 80 Q HN 0.810 nan 8.270 nan 0.000 0.491 81 D N -1.369 119.085 120.400 0.091 0.000 2.340 81 D HA 0.053 4.693 4.640 0.001 0.000 0.220 81 D C 1.160 177.511 176.300 0.086 0.000 1.039 81 D CA 0.733 54.780 54.000 0.078 0.000 0.866 81 D CB 0.061 40.873 40.800 0.019 0.000 0.913 81 D HN 0.220 nan 8.370 nan 0.000 0.523 82 G N -0.173 108.690 108.800 0.106 0.000 2.195 82 G HA2 -0.195 3.765 3.960 0.001 0.000 0.246 82 G HA3 -0.195 3.765 3.960 0.001 0.000 0.246 82 G C 0.510 175.459 174.900 0.082 0.000 0.984 82 G CA 0.143 45.324 45.100 0.134 0.000 0.633 82 G HN 0.846 nan 8.290 nan 0.000 0.525 83 A N 0.504 123.259 122.820 -0.109 0.000 2.409 83 A HA 0.677 4.998 4.320 0.001 0.000 0.267 83 A C 0.552 178.009 177.584 -0.211 0.000 1.127 83 A CA 0.085 51.883 52.037 -0.398 0.000 0.795 83 A CB 0.608 19.409 19.000 -0.330 0.000 1.061 83 A HN 1.578 nan 8.150 nan 0.000 0.502 84 L N 2.915 123.968 121.223 -0.282 0.000 2.540 84 L HA 0.170 4.510 4.340 0.001 0.000 0.276 84 L C 0.075 176.698 176.870 -0.412 0.000 1.212 84 L CA -0.025 54.500 54.840 -0.525 0.000 0.893 84 L CB 0.324 42.131 42.059 -0.419 0.000 1.138 84 L HN 0.633 nan 8.230 nan 0.000 0.491 85 L N 5.549 126.538 121.223 -0.390 0.000 2.407 85 L HA 0.184 4.525 4.340 0.001 0.000 0.282 85 L C 0.277 176.880 176.870 -0.445 0.000 1.110 85 L CA 0.663 55.302 54.840 -0.336 0.000 0.863 85 L CB -0.101 41.817 42.059 -0.235 0.000 1.207 85 L HN 0.693 nan 8.230 nan 0.000 0.454 86 E N 3.841 123.716 120.200 -0.543 0.000 2.232 86 E HA 0.072 4.422 4.350 0.001 0.000 0.296 86 E C -0.554 175.761 176.600 -0.475 0.000 1.372 86 E CA -0.236 55.621 56.400 -0.906 0.000 1.527 86 E CB 0.211 29.234 29.700 -1.128 0.000 1.424 86 E HN 0.523 nan 8.360 nan 0.000 0.485 87 Q N 0.842 120.409 119.800 -0.387 0.000 2.241 87 Q HA 0.139 4.479 4.340 0.001 0.000 0.254 87 Q C 0.519 176.499 176.000 -0.033 0.000 0.917 87 Q CA -0.077 55.505 55.803 -0.368 0.000 0.919 87 Q CB 1.165 29.350 28.738 -0.922 0.000 1.237 87 Q HN 0.249 nan 8.270 nan 0.000 0.434 88 T N -0.433 114.171 114.554 0.082 0.000 3.091 88 T HA 0.244 4.595 4.350 0.001 0.000 0.277 88 T C 0.116 174.927 174.700 0.185 0.000 0.996 88 T CA 0.208 62.417 62.100 0.182 0.000 0.897 88 T CB 0.288 69.241 68.868 0.141 0.000 1.109 88 T HN 0.536 nan 8.240 nan 0.000 0.534 89 D N 2.090 122.591 120.400 0.169 0.000 3.040 89 D HA 0.317 4.958 4.640 0.001 0.000 0.221 89 D C -0.087 176.358 176.300 0.242 0.000 1.515 89 D CA 0.405 54.509 54.000 0.174 0.000 1.379 89 D CB 0.788 41.642 40.800 0.091 0.000 0.992 89 D HN 0.534 nan 8.370 nan 0.000 0.234 90 K N -0.788 119.691 120.400 0.132 0.000 2.579 90 K HA 0.568 4.888 4.320 0.001 0.000 0.284 90 K C -1.604 175.001 176.600 0.008 0.000 0.990 90 K CA -0.929 55.391 56.287 0.054 0.000 0.880 90 K CB 2.001 34.319 32.500 -0.303 0.000 1.488 90 K HN 0.184 nan 8.250 nan 0.000 0.425 91 Q N 1.119 120.942 119.800 0.038 0.000 2.438 91 Q HA 0.312 4.652 4.340 0.001 0.000 0.272 91 Q C -1.871 174.134 176.000 0.007 0.000 0.994 91 Q CA -0.920 54.877 55.803 -0.009 0.000 0.887 91 Q CB 2.758 31.465 28.738 -0.052 0.000 1.432 91 Q HN 0.503 nan 8.270 nan 0.000 0.392 92 V N 4.941 124.827 119.914 -0.046 0.000 2.408 92 V HA 0.398 4.518 4.120 0.001 0.000 0.267 92 V C -0.209 175.876 176.094 -0.016 0.000 1.047 92 V CA 0.081 62.361 62.300 -0.033 0.000 0.937 92 V CB 0.380 32.164 31.823 -0.063 0.000 0.999 92 V HN 0.608 nan 8.190 nan 0.000 0.472 93 L N 3.867 125.130 121.223 0.066 0.000 2.350 93 L HA 0.539 4.879 4.340 0.001 0.000 0.260 93 L C 0.163 177.102 176.870 0.115 0.000 1.015 93 L CA -1.108 53.713 54.840 -0.031 0.000 0.821 93 L CB 2.314 44.230 42.059 -0.239 0.000 1.370 93 L HN 0.736 nan 8.230 nan 0.000 0.416 94 E N 1.032 121.275 120.200 0.070 0.000 2.608 94 E HA 0.204 4.554 4.350 0.001 0.000 0.259 94 E C -0.156 176.661 176.600 0.363 0.000 0.951 94 E CA -0.303 56.213 56.400 0.193 0.000 0.945 94 E CB 0.478 30.308 29.700 0.217 0.000 0.916 94 E HN 0.553 nan 8.360 nan 0.000 0.477 95 A N 4.136 127.104 122.820 0.247 0.000 2.540 95 A HA 0.052 4.373 4.320 0.001 0.000 0.239 95 A C 0.182 177.789 177.584 0.040 0.000 1.061 95 A CA -0.269 51.877 52.037 0.181 0.000 0.758 95 A CB 0.090 19.122 19.000 0.053 0.000 0.991 95 A HN 0.686 nan 8.150 nan 0.000 0.502 96 K N 1.729 121.893 120.400 -0.393 0.000 2.276 96 K HA 0.488 4.808 4.320 0.001 0.000 0.283 96 K C 0.075 176.445 176.600 -0.383 0.000 1.044 96 K CA 0.068 55.919 56.287 -0.728 0.000 0.944 96 K CB 0.577 32.007 32.500 -1.784 0.000 1.012 96 K HN 0.726 nan 8.250 nan 0.000 0.472 97 T N -1.912 112.519 114.554 -0.205 0.000 2.693 97 T HA 0.180 4.531 4.350 0.001 0.000 0.278 97 T C 1.105 175.755 174.700 -0.084 0.000 0.994 97 T CA -0.364 61.664 62.100 -0.120 0.000 1.033 97 T CB 1.049 69.894 68.868 -0.038 0.000 1.342 97 T HN 0.529 nan 8.240 nan 0.000 0.538 98 S N -0.343 115.327 115.700 -0.050 0.000 2.507 98 S HA -0.022 4.449 4.470 0.001 0.000 0.235 98 S C 1.024 175.622 174.600 -0.004 0.000 0.988 98 S CA 0.474 58.659 58.200 -0.025 0.000 0.944 98 S CB -0.467 62.721 63.200 -0.019 0.000 0.762 98 S HN 0.689 nan 8.310 nan 0.000 0.526 99 E N 1.855 122.060 120.200 0.009 0.000 2.473 99 E HA 0.107 4.458 4.350 0.001 0.000 0.204 99 E C 0.440 177.042 176.600 0.003 0.000 0.994 99 E CA 0.221 56.637 56.400 0.026 0.000 0.945 99 E CB -0.090 29.648 29.700 0.064 0.000 0.990 99 E HN 0.842 nan 8.360 nan 0.000 0.493 100 N N 0.621 119.323 118.700 0.004 0.000 2.365 100 N HA -0.017 4.723 4.740 0.001 0.000 0.257 100 N C -0.388 175.108 175.510 -0.023 0.000 1.287 100 N CA -0.153 52.866 53.050 -0.052 0.000 0.882 100 N CB 0.140 38.810 38.487 0.306 0.000 1.250 100 N HN -0.095 nan 8.380 nan 0.000 0.507 101 T N -4.650 109.904 114.554 -0.000 0.000 2.912 101 T HA 0.628 4.978 4.350 0.001 0.000 0.288 101 T C 0.912 175.654 174.700 0.070 0.000 1.030 101 T CA -0.020 62.182 62.100 0.171 0.000 1.020 101 T CB 1.591 70.666 68.868 0.344 0.000 1.056 101 T HN 0.414 nan 8.240 nan 0.000 0.480 102 G N 1.414 110.288 108.800 0.124 0.000 2.153 102 G HA2 -0.212 3.749 3.960 0.001 0.000 0.252 102 G HA3 -0.212 3.749 3.960 0.001 0.000 0.252 102 G C 0.099 174.978 174.900 -0.036 0.000 0.994 102 G CA 0.096 45.225 45.100 0.049 0.000 0.698 102 G HN 0.829 nan 8.290 nan 0.000 0.521 103 K N 0.175 120.504 120.400 -0.117 0.000 2.154 103 K HA 0.609 4.930 4.320 0.001 0.000 0.264 103 K C 0.819 177.378 176.600 -0.067 0.000 1.008 103 K CA -0.007 56.186 56.287 -0.157 0.000 0.937 103 K CB 2.006 34.254 32.500 -0.421 0.000 1.002 103 K HN 0.779 nan 8.250 nan 0.000 0.469 104 V N -0.849 119.049 119.914 -0.027 0.000 2.881 104 V HA 0.342 4.462 4.120 0.001 0.000 0.316 104 V C -0.243 175.881 176.094 0.051 0.000 1.070 104 V CA -1.226 61.072 62.300 -0.003 0.000 0.976 104 V CB 1.087 32.903 31.823 -0.013 0.000 1.038 104 V HN 0.659 nan 8.190 nan 0.000 0.446 105 Y N 2.396 122.664 120.300 -0.054 0.000 2.805 105 Y HA 0.407 4.958 4.550 0.001 0.000 0.331 105 Y C 1.409 177.288 175.900 -0.035 0.000 1.241 105 Y CA 2.146 60.225 58.100 -0.036 0.000 1.546 105 Y CB 0.367 38.790 38.460 -0.060 0.000 1.248 105 Y HN 1.402 nan 8.280 nan 0.000 0.559 106 G N 3.548 112.167 108.800 -0.302 0.000 2.284 106 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 106 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 106 G C 0.033 174.887 174.900 -0.077 0.000 1.009 106 G CA -0.057 44.954 45.100 -0.148 0.000 0.625 106 G HN 0.575 nan 8.290 nan 0.000 0.501 107 E N 1.616 121.804 120.200 -0.020 0.000 2.344 107 E HA 0.336 4.687 4.350 0.001 0.000 0.270 107 E C -0.150 176.506 176.600 0.093 0.000 1.021 107 E CA -0.120 56.306 56.400 0.044 0.000 0.887 107 E CB 0.518 30.257 29.700 0.065 0.000 0.997 107 E HN 0.205 nan 8.360 nan 0.000 0.429 108 Q N 2.638 122.481 119.800 0.073 0.000 2.294 108 Q HA 0.247 4.588 4.340 0.001 0.000 0.257 108 Q C -0.864 175.238 176.000 0.170 0.000 0.955 108 Q CA -0.065 55.770 55.803 0.053 0.000 0.936 108 Q CB 0.476 29.218 28.738 0.007 0.000 1.188 108 Q HN 0.491 nan 8.270 nan 0.000 0.420 109 Y N -0.057 120.227 120.300 -0.026 0.000 2.592 109 Y HA 0.735 5.286 4.550 0.001 0.000 0.334 109 Y C -2.866 173.035 175.900 0.002 0.000 1.136 109 Y CA -2.280 55.818 58.100 -0.003 0.000 1.042 109 Y CB 0.751 39.219 38.460 0.013 0.000 1.325 109 Y HN 0.361 nan 8.280 nan 0.000 0.457 110 P HA 0.387 nan 4.420 nan 0.000 0.288 110 P C -1.100 176.187 177.300 -0.021 0.000 1.267 110 P CA -0.393 62.656 63.100 -0.085 0.000 0.815 110 P CB 1.881 33.588 31.700 0.011 0.000 0.989 111 L N 1.217 122.389 121.223 -0.084 0.000 2.467 111 L HA 0.100 4.441 4.340 0.001 0.000 0.270 111 L C 1.024 177.952 176.870 0.097 0.000 1.205 111 L CA 0.630 55.504 54.840 0.056 0.000 0.828 111 L CB -0.233 41.839 42.059 0.023 0.000 1.101 111 L HN 0.380 nan 8.230 nan 0.000 0.479 112 S N 1.391 117.181 115.700 0.149 0.000 2.533 112 S HA 0.191 4.662 4.470 0.001 0.000 0.282 112 S C 1.192 175.834 174.600 0.069 0.000 1.304 112 S CA -0.071 58.194 58.200 0.109 0.000 1.063 112 S CB 1.200 64.475 63.200 0.125 0.000 0.881 112 S HN 0.751 nan 8.310 nan 0.000 0.493 113 A N 2.561 125.407 122.820 0.044 0.000 1.902 113 A HA -0.068 4.253 4.320 0.001 0.000 0.217 113 A C 1.058 178.655 177.584 0.022 0.000 1.181 113 A CA 0.866 52.918 52.037 0.025 0.000 0.623 113 A CB -0.321 18.688 19.000 0.015 0.000 0.818 113 A HN 0.815 nan 8.150 nan 0.000 0.443 114 E N 0.321 120.535 120.200 0.024 0.000 2.344 114 E HA 0.259 4.610 4.350 0.001 0.000 0.270 114 E C -0.962 175.656 176.600 0.031 0.000 1.021 114 E CA -0.196 56.212 56.400 0.014 0.000 0.887 114 E CB 0.353 30.054 29.700 0.002 0.000 0.997 114 E HN 0.079 nan 8.360 nan 0.000 0.429 115 K N 2.876 123.284 120.400 0.014 0.000 2.203 115 K HA 0.484 4.804 4.320 0.001 0.000 0.251 115 K C -0.730 175.860 176.600 -0.017 0.000 0.944 115 K CA -0.517 55.786 56.287 0.026 0.000 0.829 115 K CB 1.688 34.192 32.500 0.007 0.000 1.125 115 K HN 0.405 nan 8.250 nan 0.000 0.430 116 R N 0.250 120.742 120.500 -0.013 0.000 2.837 116 R HA 0.501 4.841 4.340 0.001 0.000 0.271 116 R C -0.759 175.386 176.300 -0.258 0.000 0.993 116 R CA -0.950 55.034 56.100 -0.193 0.000 0.931 116 R CB 1.916 31.991 30.300 -0.374 0.000 1.206 116 R HN 0.465 nan 8.270 nan 0.000 0.474 117 T N 2.166 116.500 114.554 -0.365 0.000 2.761 117 T HA 0.258 4.608 4.350 0.001 0.000 0.296 117 T C -0.858 173.466 174.700 -0.626 0.000 0.934 117 T CA 0.233 62.092 62.100 -0.401 0.000 1.091 117 T CB -0.014 68.611 68.868 -0.404 0.000 0.896 117 T HN 0.226 nan 8.240 nan 0.000 0.515 118 Y N 1.739 121.877 120.300 -0.271 0.000 2.409 118 Y HA 0.504 5.055 4.550 0.001 0.000 0.339 118 Y C -0.277 175.377 175.900 -0.410 0.000 1.033 118 Y CA -1.078 56.864 58.100 -0.263 0.000 1.094 118 Y CB 1.230 39.618 38.460 -0.120 0.000 1.210 118 Y HN 0.556 nan 8.280 nan 0.000 0.456 119 Y N 1.907 122.155 120.300 -0.088 0.000 2.420 119 Y HA 0.572 5.122 4.550 0.001 0.000 0.334 119 Y C -0.871 174.902 175.900 -0.212 0.000 1.094 119 Y CA -1.071 57.014 58.100 -0.025 0.000 1.126 119 Y CB 1.122 39.554 38.460 -0.047 0.000 1.217 119 Y HN 0.388 nan 8.280 nan 0.000 0.462 120 F N 0.900 120.969 119.950 0.199 0.000 2.577 120 F HA 0.342 4.870 4.527 0.001 0.000 0.318 120 F C -0.162 175.707 175.800 0.115 0.000 1.065 120 F CA -1.174 56.913 58.000 0.145 0.000 0.929 120 F CB 1.474 40.552 39.000 0.130 0.000 1.237 120 F HN 0.529 nan 8.300 nan 0.000 0.468 121 D N -0.499 120.050 120.400 0.248 0.000 2.506 121 D HA 0.166 4.807 4.640 0.001 0.000 0.272 121 D C 0.300 176.655 176.300 0.092 0.000 1.214 121 D CA -0.463 53.616 54.000 0.132 0.000 1.067 121 D CB 0.394 41.231 40.800 0.062 0.000 1.117 121 D HN 0.256 nan 8.370 nan 0.000 0.578 122 N N -0.627 118.076 118.700 0.005 0.000 2.550 122 N HA -0.054 4.686 4.740 0.001 0.000 0.186 122 N C -0.038 175.287 175.510 -0.308 0.000 1.110 122 N CA 0.354 53.357 53.050 -0.079 0.000 0.912 122 N CB -0.299 38.152 38.487 -0.059 0.000 0.968 122 N HN 0.378 nan 8.380 nan 0.000 0.448 123 N N -0.036 118.483 118.700 -0.301 0.000 2.234 123 N HA 0.086 4.827 4.740 0.001 0.000 0.227 123 N C -0.418 174.859 175.510 -0.389 0.000 1.151 123 N CA -0.167 52.570 53.050 -0.522 0.000 0.865 123 N CB 0.413 38.759 38.487 -0.234 0.000 1.066 123 N HN 0.267 nan 8.380 nan 0.000 0.515 124 Y N -1.609 118.780 120.300 0.149 0.000 4.929 124 Y HA -0.300 4.250 4.550 0.001 0.000 0.252 124 Y C 0.615 176.760 175.900 0.409 0.000 0.950 124 Y CA 0.100 58.331 58.100 0.217 0.000 1.935 124 Y CB -1.995 36.525 38.460 0.099 0.000 1.440 124 Y HN 0.146 nan 8.280 nan 0.000 0.567 125 A N 0.456 123.476 122.820 0.334 0.000 2.302 125 A HA 0.656 4.976 4.320 0.001 0.000 0.285 125 A C 0.302 177.915 177.584 0.049 0.000 1.105 125 A CA -0.283 51.736 52.037 -0.031 0.000 0.816 125 A CB 0.612 19.480 19.000 -0.221 0.000 1.067 125 A HN 0.190 nan 8.150 nan 0.000 0.489 126 V N 2.325 122.165 119.914 -0.124 0.000 2.599 126 V HA 0.020 4.140 4.120 0.001 0.000 0.300 126 V C 0.899 176.923 176.094 -0.117 0.000 1.034 126 V CA 0.326 62.456 62.300 -0.284 0.000 1.115 126 V CB 0.342 32.082 31.823 -0.137 0.000 0.934 126 V HN 0.916 nan 8.190 nan 0.000 0.485 127 K N 3.480 123.814 120.400 -0.109 0.000 2.237 127 K HA 0.428 4.749 4.320 0.001 0.000 0.270 127 K C 0.226 176.782 176.600 -0.073 0.000 1.015 127 K CA -0.252 56.014 56.287 -0.034 0.000 0.949 127 K CB 0.858 33.378 32.500 0.032 0.000 0.976 127 K HN 0.963 nan 8.250 nan 0.000 0.472 128 T N -0.270 114.226 114.554 -0.096 0.000 2.907 128 T HA 0.768 5.119 4.350 0.001 0.000 0.290 128 T C 0.351 174.896 174.700 -0.257 0.000 1.066 128 T CA -0.135 61.847 62.100 -0.195 0.000 1.012 128 T CB 1.547 70.323 68.868 -0.152 0.000 1.184 128 T HN 0.924 nan 8.240 nan 0.000 0.522 129 G N -0.120 108.363 108.800 -0.528 0.000 2.615 129 G HA2 -0.129 3.831 3.960 0.001 0.000 0.218 129 G HA3 -0.129 3.831 3.960 0.001 0.000 0.218 129 G C -0.932 173.655 174.900 -0.521 0.000 1.339 129 G CA -0.441 44.307 45.100 -0.586 0.000 0.884 129 G HN 0.967 nan 8.290 nan 0.000 0.559 130 W N 0.401 121.677 121.300 -0.040 0.000 2.238 130 W HA 0.546 5.207 4.660 0.001 0.000 0.321 130 W C 0.906 177.551 176.519 0.211 0.000 1.293 130 W CA 0.384 57.807 57.345 0.130 0.000 1.204 130 W CB 0.612 30.120 29.460 0.080 0.000 1.167 130 W HN 0.634 nan 8.180 nan 0.000 0.553 131 I N 0.700 121.576 120.570 0.510 0.000 2.828 131 I HA 0.531 4.701 4.170 0.001 0.000 0.302 131 I C -1.678 174.589 176.117 0.251 0.000 1.101 131 I CA -1.524 59.938 61.300 0.270 0.000 1.031 131 I CB 1.840 39.724 38.000 -0.193 0.000 1.231 131 I HN 0.358 nan 8.210 nan 0.000 0.427 132 Y N 2.678 122.818 120.300 -0.266 0.000 2.352 132 Y HA 0.693 5.244 4.550 0.001 0.000 0.339 132 Y C -0.614 175.131 175.900 -0.258 0.000 0.992 132 Y CA -0.326 57.408 58.100 -0.610 0.000 1.100 132 Y CB 1.360 39.164 38.460 -1.093 0.000 1.192 132 Y HN 0.840 nan 8.280 nan 0.000 0.458 133 E N 4.495 124.359 120.200 -0.560 0.000 2.311 133 E HA 0.219 4.570 4.350 0.001 0.000 0.281 133 E C -1.473 174.894 176.600 -0.388 0.000 0.905 133 E CA -0.602 55.600 56.400 -0.330 0.000 0.778 133 E CB 0.871 30.474 29.700 -0.162 0.000 1.240 133 E HN 0.724 nan 8.360 nan 0.000 0.410 134 D N 3.499 123.716 120.400 -0.306 0.000 2.697 134 D HA -0.198 4.443 4.640 0.001 0.000 0.235 134 D C 0.685 176.821 176.300 -0.273 0.000 1.167 134 D CA 1.996 55.875 54.000 -0.201 0.000 0.656 134 D CB -1.266 39.475 40.800 -0.097 0.000 1.025 134 D HN 1.007 nan 8.370 nan 0.000 0.419 135 G N -0.653 107.858 108.800 -0.481 0.000 2.159 135 G HA2 -0.319 3.642 3.960 0.001 0.000 0.256 135 G HA3 -0.319 3.642 3.960 0.001 0.000 0.256 135 G C 0.170 174.832 174.900 -0.398 0.000 0.977 135 G CA 0.305 45.223 45.100 -0.304 0.000 0.652 135 G HN 0.546 nan 8.290 nan 0.000 0.531 136 N N -1.153 117.114 118.700 -0.722 0.000 2.357 136 N HA 0.531 5.272 4.740 0.001 0.000 0.284 136 N C -1.144 174.015 175.510 -0.585 0.000 1.236 136 N CA -0.558 52.200 53.050 -0.485 0.000 0.774 136 N CB 1.230 39.473 38.487 -0.405 0.000 1.534 136 N HN 0.176 nan 8.380 nan 0.000 0.478 137 W N 0.946 122.129 121.300 -0.195 0.000 2.417 137 W HA 0.438 5.099 4.660 0.001 0.000 0.317 137 W C -0.439 175.969 176.519 -0.186 0.000 1.121 137 W CA -0.318 57.038 57.345 0.019 0.000 1.208 137 W CB 0.644 30.139 29.460 0.058 0.000 1.253 137 W HN 0.367 nan 8.180 nan 0.000 0.533 138 Y N 1.620 122.175 120.300 0.425 0.000 2.499 138 Y HA 0.353 4.903 4.550 0.001 0.000 0.347 138 Y C -0.907 175.065 175.900 0.121 0.000 0.987 138 Y CA -1.592 56.623 58.100 0.191 0.000 1.044 138 Y CB 1.377 39.813 38.460 -0.040 0.000 1.245 138 Y HN 0.280 nan 8.280 nan 0.000 0.461 139 Y N 3.149 123.318 120.300 -0.219 0.000 2.335 139 Y HA 0.613 5.164 4.550 0.001 0.000 0.338 139 Y C -1.275 174.402 175.900 -0.372 0.000 0.977 139 Y CA -1.152 56.539 58.100 -0.682 0.000 1.114 139 Y CB 0.787 38.563 38.460 -1.140 0.000 1.182 139 Y HN 0.507 nan 8.280 nan 0.000 0.463 140 L N 6.402 127.165 121.223 -0.768 0.000 2.272 140 L HA 0.353 4.693 4.340 0.001 0.000 0.289 140 L C -0.220 176.229 176.870 -0.701 0.000 1.032 140 L CA -0.916 53.605 54.840 -0.532 0.000 0.810 140 L CB 0.650 42.492 42.059 -0.363 0.000 1.205 140 L HN 0.652 nan 8.230 nan 0.000 0.422 141 N N 2.972 121.445 118.700 -0.378 0.000 2.357 141 N HA -0.037 4.704 4.740 0.001 0.000 0.257 141 N C 0.672 176.061 175.510 -0.201 0.000 1.250 141 N CA 0.339 53.254 53.050 -0.225 0.000 0.862 141 N CB 1.130 39.557 38.487 -0.101 0.000 1.066 141 N HN 0.557 nan 8.380 nan 0.000 0.468 142 K N 1.366 121.699 120.400 -0.112 0.000 2.262 142 K HA 0.174 4.495 4.320 0.001 0.000 0.200 142 K C 0.347 176.974 176.600 0.045 0.000 1.049 142 K CA 0.703 56.972 56.287 -0.029 0.000 0.979 142 K CB 0.300 32.824 32.500 0.038 0.000 0.773 142 K HN 0.402 nan 8.250 nan 0.000 0.474 143 L N -1.003 120.264 121.223 0.074 0.000 2.283 143 L HA 0.443 4.784 4.340 0.001 0.000 0.259 143 L C 0.575 177.412 176.870 -0.054 0.000 1.027 143 L CA -1.355 53.525 54.840 0.066 0.000 0.828 143 L CB 1.299 43.480 42.059 0.202 0.000 1.380 143 L HN -0.054 nan 8.230 nan 0.000 0.425 144 G N -0.224 108.510 108.800 -0.109 0.000 2.651 144 G HA2 0.174 4.135 3.960 0.001 0.000 0.260 144 G HA3 0.174 4.135 3.960 0.001 0.000 0.260 144 G C -0.252 174.343 174.900 -0.509 0.000 1.216 144 G CA -0.522 44.432 45.100 -0.243 0.000 0.913 144 G HN 0.588 nan 8.290 nan 0.000 0.535 145 N N -1.012 117.371 118.700 -0.528 0.000 2.317 145 N HA 0.411 5.152 4.740 0.001 0.000 0.245 145 N C -0.493 174.581 175.510 -0.726 0.000 1.294 145 N CA 0.293 52.873 53.050 -0.783 0.000 0.924 145 N CB 0.415 38.687 38.487 -0.358 0.000 1.186 145 N HN 0.379 nan 8.380 nan 0.000 0.495 152 N N 5.648 123.571 118.700 -1.295 0.000 2.447 152 N HA 0.115 4.856 4.740 0.001 0.000 0.263 152 N C -1.796 173.437 175.510 -0.462 0.000 1.226 152 N CA -0.661 51.851 53.050 -0.897 0.000 0.906 152 N CB 1.252 39.201 38.487 -0.896 0.000 1.060 152 N HN 0.337 nan 8.380 nan 0.000 0.468 153 P HA -0.052 nan 4.420 nan 0.000 0.245 153 P C 1.512 178.810 177.300 -0.003 0.000 1.212 153 P CA -0.017 62.839 63.100 -0.407 0.000 0.774 153 P CB 0.384 31.302 31.700 -1.303 0.000 0.999 154 L N 1.600 122.798 121.223 -0.041 0.000 2.043 154 L HA -0.061 4.279 4.340 0.001 0.000 0.212 154 L C -0.843 175.895 176.870 -0.219 0.000 1.075 154 L CA 2.570 57.352 54.840 -0.096 0.000 0.752 154 L CB -2.110 39.851 42.059 -0.163 0.000 0.891 154 L HN 0.033 nan 8.230 nan 0.000 0.432 155 P HA -0.059 nan 4.420 nan 0.000 0.226 155 P C 0.395 177.604 177.300 -0.151 0.000 1.153 155 P CA 0.782 63.772 63.100 -0.183 0.000 0.777 155 P CB -0.133 31.459 31.700 -0.180 0.000 0.794 156 I N 0.021 120.552 120.570 -0.066 0.000 2.668 156 I HA 0.076 4.247 4.170 0.001 0.000 0.285 156 I C 1.605 177.684 176.117 -0.064 0.000 1.168 156 I CA 1.022 62.329 61.300 0.011 0.000 1.424 156 I CB -0.421 37.704 38.000 0.207 0.000 1.377 156 I HN 0.194 nan 8.210 nan 0.000 0.560 157 G N 3.914 112.658 108.800 -0.092 0.000 2.176 157 G HA2 -0.193 3.768 3.960 0.001 0.000 0.253 157 G HA3 -0.193 3.768 3.960 0.001 0.000 0.253 157 G C 0.180 175.006 174.900 -0.123 0.000 0.979 157 G CA -0.442 44.597 45.100 -0.102 0.000 0.641 157 G HN 0.575 nan 8.290 nan 0.000 0.530 158 E N 0.086 120.186 120.200 -0.168 0.000 2.349 158 E HA 0.447 4.797 4.350 0.001 0.000 0.265 158 E C 0.607 177.097 176.600 -0.183 0.000 1.064 158 E CA -0.571 55.710 56.400 -0.199 0.000 0.886 158 E CB 1.709 31.293 29.700 -0.194 0.000 1.036 158 E HN 0.145 nan 8.360 nan 0.000 0.413 159 V N 2.074 121.881 119.914 -0.179 0.000 2.446 159 V HA 0.115 4.236 4.120 0.001 0.000 0.276 159 V C 0.547 176.590 176.094 -0.085 0.000 1.030 159 V CA -0.281 61.949 62.300 -0.116 0.000 1.033 159 V CB 0.453 32.221 31.823 -0.092 0.000 0.993 159 V HN 0.685 nan 8.190 nan 0.000 0.477 160 A N 7.380 130.166 122.820 -0.056 0.000 2.462 160 A HA 0.532 4.853 4.320 0.001 0.000 0.243 160 A C 0.204 177.744 177.584 -0.074 0.000 1.076 160 A CA -0.268 51.746 52.037 -0.038 0.000 0.773 160 A CB 0.213 19.240 19.000 0.045 0.000 1.010 160 A HN 0.702 nan 8.150 nan 0.000 0.493 161 K N 1.295 121.631 120.400 -0.108 0.000 2.371 161 K HA 0.695 5.016 4.320 0.001 0.000 0.251 161 K C 0.471 176.907 176.600 -0.273 0.000 0.934 161 K CA 0.274 56.454 56.287 -0.177 0.000 0.798 161 K CB 1.497 33.921 32.500 -0.127 0.000 1.204 161 K HN 1.801 nan 8.250 nan 0.000 0.427 162 G N 1.427 109.881 108.800 -0.577 0.000 2.593 162 G HA2 -0.273 3.688 3.960 0.001 0.000 0.237 162 G HA3 -0.273 3.688 3.960 0.001 0.000 0.237 162 G C -1.063 173.350 174.900 -0.810 0.000 1.312 162 G CA -0.496 44.035 45.100 -0.948 0.000 0.896 162 G HN 0.556 nan 8.290 nan 0.000 0.574 163 W N 1.014 122.143 121.300 -0.285 0.000 2.322 163 W HA 0.495 5.156 4.660 0.001 0.000 0.328 163 W C 0.556 177.235 176.519 0.267 0.000 1.395 163 W CA 0.717 58.127 57.345 0.108 0.000 1.267 163 W CB 0.775 30.310 29.460 0.125 0.000 1.259 163 W HN 0.534 nan 8.180 nan 0.000 0.560 164 T N 3.935 118.859 114.554 0.617 0.000 3.071 164 T HA 0.181 4.531 4.350 0.001 0.000 0.311 164 T C -0.632 174.076 174.700 0.012 0.000 1.042 164 T CA -0.950 61.294 62.100 0.241 0.000 1.028 164 T CB 1.344 70.195 68.868 -0.029 0.000 1.068 164 T HN 0.268 nan 8.240 nan 0.000 0.451 165 Q N 1.507 121.041 119.800 -0.443 0.000 2.259 165 Q HA 0.349 4.690 4.340 0.001 0.000 0.249 165 Q C -0.737 174.861 176.000 -0.668 0.000 0.914 165 Q CA -0.641 54.643 55.803 -0.865 0.000 0.904 165 Q CB 1.186 29.026 28.738 -1.496 0.000 1.213 165 Q HN 0.501 nan 8.270 nan 0.000 0.428 166 D N 2.577 122.655 120.400 -0.538 0.000 2.473 166 D HA 0.214 4.855 4.640 0.001 0.000 0.226 166 D C -1.276 174.888 176.300 -0.226 0.000 1.089 166 D CA -0.340 53.469 54.000 -0.319 0.000 0.883 166 D CB -0.036 40.716 40.800 -0.079 0.000 1.029 166 D HN 0.203 nan 8.370 nan 0.000 0.517 167 F N 2.265 122.249 119.950 0.056 0.000 2.399 167 F HA 0.248 4.775 4.527 0.001 0.000 0.342 167 F C 1.260 177.149 175.800 0.149 0.000 1.106 167 F CA -0.668 57.372 58.000 0.067 0.000 1.196 167 F CB 0.778 39.793 39.000 0.026 0.000 1.163 167 F HN 0.379 nan 8.300 nan 0.000 0.547 179 A N 2.785 125.515 122.820 -0.151 0.000 2.462 179 A HA 0.544 4.865 4.320 0.001 0.000 0.243 179 A C -2.002 175.358 177.584 -0.373 0.000 1.076 179 A CA -0.651 51.211 52.037 -0.293 0.000 0.773 179 A CB -0.178 18.457 19.000 -0.609 0.000 1.010 179 A HN 0.193 nan 8.150 nan 0.000 0.493 180 P HA 0.114 nan 4.420 nan 0.000 0.271 180 P C -1.070 176.052 177.300 -0.297 0.000 1.216 180 P CA -0.010 62.959 63.100 -0.218 0.000 0.776 180 P CB 0.410 32.017 31.700 -0.155 0.000 0.881 181 W N 2.182 123.376 121.300 -0.177 0.000 2.376 181 W HA 0.408 5.069 4.660 0.001 0.000 0.322 181 W C -0.166 176.295 176.519 -0.097 0.000 1.160 181 W CA 0.180 57.527 57.345 0.003 0.000 1.218 181 W CB 0.793 30.326 29.460 0.121 0.000 1.205 181 W HN 0.339 nan 8.180 nan 0.000 0.559 182 Y N 0.929 121.536 120.300 0.511 0.000 2.576 182 Y HA 0.402 4.953 4.550 0.001 0.000 0.346 182 Y C -1.131 174.857 175.900 0.145 0.000 1.018 182 Y CA -1.641 56.636 58.100 0.296 0.000 1.050 182 Y CB 1.597 40.166 38.460 0.181 0.000 1.280 182 Y HN 0.278 nan 8.280 nan 0.000 0.474 183 Y N 2.780 122.886 120.300 -0.324 0.000 2.331 183 Y HA 0.585 5.135 4.550 0.001 0.000 0.334 183 Y C -1.666 173.983 175.900 -0.418 0.000 0.960 183 Y CA -1.013 56.715 58.100 -0.620 0.000 1.130 183 Y CB 0.823 38.571 38.460 -1.187 0.000 1.164 183 Y HN 0.365 nan 8.280 nan 0.000 0.458 184 L N 6.059 126.936 121.223 -0.576 0.000 2.307 184 L HA 0.280 4.621 4.340 0.001 0.000 0.284 184 L C 0.058 176.712 176.870 -0.361 0.000 1.023 184 L CA -0.761 53.883 54.840 -0.327 0.000 0.810 184 L CB 0.944 42.870 42.059 -0.221 0.000 1.231 184 L HN 0.774 nan 8.230 nan 0.000 0.423 185 D N 2.393 122.709 120.400 -0.141 0.000 2.376 185 D HA 0.154 4.795 4.640 0.001 0.000 0.268 185 D C 1.076 177.337 176.300 -0.064 0.000 1.252 185 D CA 0.055 54.028 54.000 -0.044 0.000 1.041 185 D CB 0.630 41.424 40.800 -0.010 0.000 1.109 185 D HN 0.463 nan 8.370 nan 0.000 0.552 186 A N -0.648 122.158 122.820 -0.023 0.000 2.019 186 A HA -0.094 4.226 4.320 0.001 0.000 0.219 186 A C 2.024 179.598 177.584 -0.016 0.000 1.164 186 A CA 2.156 54.178 52.037 -0.024 0.000 0.644 186 A CB -0.904 18.090 19.000 -0.010 0.000 0.805 186 A HN 0.607 nan 8.150 nan 0.000 0.449 187 S N -2.808 112.898 115.700 0.009 0.000 2.556 187 S HA 0.422 4.893 4.470 0.001 0.000 0.216 187 S C 1.280 175.966 174.600 0.143 0.000 0.970 187 S CA 1.022 59.255 58.200 0.055 0.000 0.912 187 S CB 0.138 63.382 63.200 0.075 0.000 0.790 187 S HN 1.836 nan 8.310 nan 0.000 0.504 188 G N 1.076 109.920 108.800 0.074 0.000 2.179 188 G HA2 -0.208 3.752 3.960 0.001 0.000 0.220 188 G HA3 -0.208 3.752 3.960 0.001 0.000 0.220 188 G C -0.147 174.695 174.900 -0.095 0.000 0.990 188 G CA -0.285 44.876 45.100 0.101 0.000 0.646 188 G HN 0.545 nan 8.290 nan 0.000 0.517 189 K N 0.789 121.050 120.400 -0.233 0.000 2.412 189 K HA 0.382 4.702 4.320 0.001 0.000 0.281 189 K C 0.810 177.268 176.600 -0.237 0.000 1.027 189 K CA -0.156 55.854 56.287 -0.462 0.000 0.989 189 K CB 0.798 33.126 32.500 -0.286 0.000 0.935 189 K HN 0.359 nan 8.250 nan 0.000 0.475 190 M N 5.099 124.597 119.600 -0.171 0.000 2.217 190 M HA 0.092 4.572 4.480 0.001 0.000 0.352 190 M C -0.840 175.401 176.300 -0.099 0.000 1.376 190 M CA -0.114 55.162 55.300 -0.040 0.000 1.107 190 M CB 0.343 33.016 32.600 0.122 0.000 1.723 190 M HN 0.481 nan 8.290 nan 0.000 0.461 191 L N 4.532 125.638 121.223 -0.196 0.000 2.399 191 L HA 0.538 4.878 4.340 0.001 0.000 0.266 191 L C 0.445 177.175 176.870 -0.233 0.000 1.114 191 L CA -0.575 54.127 54.840 -0.230 0.000 0.804 191 L CB 1.487 43.348 42.059 -0.330 0.000 1.146 191 L HN 0.774 nan 8.230 nan 0.000 0.451 192 T N -2.335 112.164 114.554 -0.092 0.000 2.907 192 T HA 0.546 4.897 4.350 0.001 0.000 0.290 192 T C -0.498 174.200 174.700 -0.003 0.000 1.066 192 T CA -0.630 61.443 62.100 -0.045 0.000 1.012 192 T CB 2.503 71.342 68.868 -0.047 0.000 1.184 192 T HN 0.777 nan 8.240 nan 0.000 0.522 193 D N -0.809 119.487 120.400 -0.173 0.000 3.605 193 D HA -0.181 4.460 4.640 0.001 0.000 0.258 193 D C -1.269 174.986 176.300 -0.076 0.000 1.916 193 D CA 1.344 55.192 54.000 -0.253 0.000 1.155 193 D CB -0.676 40.133 40.800 0.016 0.000 0.854 193 D HN 0.776 nan 8.370 nan 0.000 1.047 194 W N 0.935 122.368 121.300 0.221 0.000 2.253 194 W HA 0.361 5.021 4.660 0.001 0.000 0.322 194 W C 0.262 177.052 176.519 0.453 0.000 1.342 194 W CA -0.192 57.346 57.345 0.322 0.000 1.218 194 W CB 0.610 30.130 29.460 0.101 0.000 1.205 194 W HN 0.035 nan 8.180 nan 0.000 0.551 195 Q N 2.824 123.112 119.800 0.814 0.000 2.359 195 Q HA 0.261 4.602 4.340 0.001 0.000 0.274 195 Q C -1.129 175.017 176.000 0.243 0.000 1.074 195 Q CA -1.256 54.844 55.803 0.495 0.000 0.810 195 Q CB 2.501 31.437 28.738 0.330 0.000 1.342 195 Q HN 0.448 nan 8.270 nan 0.000 0.427 196 K N 1.605 121.805 120.400 -0.335 0.000 2.253 196 K HA 0.512 4.833 4.320 0.001 0.000 0.277 196 K C -1.073 175.348 176.600 -0.298 0.000 1.053 196 K CA -0.305 55.583 56.287 -0.666 0.000 0.892 196 K CB 0.719 32.530 32.500 -1.148 0.000 1.102 196 K HN 0.332 nan 8.250 nan 0.000 0.469 197 V N 4.970 124.822 119.914 -0.103 0.000 2.531 197 V HA 0.200 4.321 4.120 0.001 0.000 0.301 197 V C -0.215 175.916 176.094 0.062 0.000 1.034 197 V CA -1.124 61.106 62.300 -0.118 0.000 0.865 197 V CB 1.535 33.164 31.823 -0.324 0.000 0.995 197 V HN 0.997 nan 8.190 nan 0.000 0.424 198 N N 3.718 122.421 118.700 0.006 0.000 2.727 198 N HA -0.230 4.510 4.740 0.001 0.000 0.249 198 N C 1.220 176.739 175.510 0.016 0.000 1.048 198 N CA 1.455 54.532 53.050 0.044 0.000 0.714 198 N CB -0.819 37.740 38.487 0.120 0.000 0.959 198 N HN 1.622 nan 8.380 nan 0.000 0.544 199 G N -1.401 107.361 108.800 -0.064 0.000 2.179 199 G HA2 -0.342 3.619 3.960 0.001 0.000 0.260 199 G HA3 -0.342 3.619 3.960 0.001 0.000 0.260 199 G C 0.026 174.837 174.900 -0.149 0.000 0.977 199 G CA 1.038 46.075 45.100 -0.105 0.000 0.641 199 G HN 0.540 nan 8.290 nan 0.000 0.533 200 K N -1.149 119.174 120.400 -0.129 0.000 2.328 200 K HA 0.540 4.861 4.320 0.001 0.000 0.246 200 K C -0.883 175.554 176.600 -0.273 0.000 0.955 200 K CA -0.998 55.181 56.287 -0.180 0.000 0.817 200 K CB 1.554 33.963 32.500 -0.152 0.000 1.208 200 K HN 0.112 nan 8.250 nan 0.000 0.432 201 W N 1.412 122.594 121.300 -0.197 0.000 2.365 201 W HA 0.319 4.980 4.660 0.001 0.000 0.316 201 W C -0.455 175.902 176.519 -0.270 0.000 1.164 201 W CA -0.074 57.229 57.345 -0.069 0.000 1.204 201 W CB 0.601 30.026 29.460 -0.060 0.000 1.213 201 W HN 0.412 nan 8.180 nan 0.000 0.539 202 Y N 1.678 122.239 120.300 0.436 0.000 2.536 202 Y HA 0.347 4.897 4.550 0.001 0.000 0.347 202 Y C -0.987 174.856 175.900 -0.096 0.000 1.000 202 Y CA -1.547 56.587 58.100 0.057 0.000 1.051 202 Y CB 1.504 39.863 38.460 -0.170 0.000 1.259 202 Y HN 0.268 nan 8.280 nan 0.000 0.468 203 Y N 2.128 122.106 120.300 -0.536 0.000 2.328 203 Y HA 0.424 4.975 4.550 0.001 0.000 0.336 203 Y C -0.909 174.559 175.900 -0.720 0.000 0.960 203 Y CA -1.583 55.992 58.100 -0.874 0.000 1.134 203 Y CB 0.530 38.178 38.460 -1.353 0.000 1.166 203 Y HN 0.643 nan 8.280 nan 0.000 0.464 204 F N 3.325 122.815 119.950 -0.767 0.000 2.678 204 F HA 0.352 4.879 4.527 0.001 0.000 0.305 204 F C 1.534 176.917 175.800 -0.695 0.000 1.090 204 F CA 0.373 58.057 58.000 -0.527 0.000 1.272 204 F CB 0.228 39.065 39.000 -0.272 0.000 1.060 204 F HN 0.865 nan 8.300 nan 0.000 0.576 205 G N 1.261 109.325 108.800 -1.226 0.000 2.575 205 G HA2 -0.373 3.588 3.960 0.001 0.000 0.267 205 G HA3 -0.373 3.588 3.960 0.001 0.000 0.267 205 G C 1.084 175.777 174.900 -0.345 0.000 1.264 205 G CA 0.420 45.046 45.100 -0.789 0.000 0.935 205 G HN 0.431 nan 8.290 nan 0.000 0.568 206 S N -1.142 114.450 115.700 -0.179 0.000 2.470 206 S HA 0.167 4.638 4.470 0.001 0.000 0.222 206 S C 2.382 176.918 174.600 -0.107 0.000 1.024 206 S CA 1.576 59.714 58.200 -0.104 0.000 0.931 206 S CB -0.034 63.130 63.200 -0.060 0.000 0.791 206 S HN 2.088 nan 8.310 nan 0.000 0.513 207 S N 0.532 116.153 115.700 -0.132 0.000 2.501 207 S HA 0.443 4.913 4.470 0.001 0.000 0.220 207 S C 1.750 176.264 174.600 -0.144 0.000 0.997 207 S CA 0.750 58.851 58.200 -0.166 0.000 0.919 207 S CB -0.436 62.673 63.200 -0.153 0.000 0.778 207 S HN 1.405 nan 8.310 nan 0.000 0.523 208 G N 0.638 109.392 108.800 -0.076 0.000 2.234 208 G HA2 -0.255 3.706 3.960 0.001 0.000 0.235 208 G HA3 -0.255 3.706 3.960 0.001 0.000 0.235 208 G C 0.203 175.097 174.900 -0.010 0.000 0.997 208 G CA 0.181 45.306 45.100 0.042 0.000 0.623 208 G HN 0.842 nan 8.290 nan 0.000 0.514 209 S N 0.903 116.474 115.700 -0.215 0.000 2.531 209 S HA 0.534 5.005 4.470 0.001 0.000 0.279 209 S C 0.765 175.278 174.600 -0.146 0.000 1.305 209 S CA 0.036 57.969 58.200 -0.446 0.000 1.058 209 S CB 0.269 63.281 63.200 -0.314 0.000 0.899 209 S HN 0.519 nan 8.310 nan 0.000 0.493 210 M N 5.412 124.984 119.600 -0.046 0.000 2.217 210 M HA 0.327 4.808 4.480 0.001 0.000 0.352 210 M C 0.157 176.391 176.300 -0.110 0.000 1.376 210 M CA -0.402 54.855 55.300 -0.071 0.000 1.107 210 M CB 0.181 32.873 32.600 0.153 0.000 1.723 210 M HN 0.738 nan 8.290 nan 0.000 0.461 211 A N 4.151 126.871 122.820 -0.167 0.000 2.371 211 A HA 0.597 4.918 4.320 0.001 0.000 0.257 211 A C -0.022 177.498 177.584 -0.107 0.000 1.089 211 A CA -0.163 51.819 52.037 -0.092 0.000 0.794 211 A CB 0.258 19.241 19.000 -0.027 0.000 1.029 211 A HN 0.862 nan 8.150 nan 0.000 0.488 212 T N -0.972 113.523 114.554 -0.100 0.000 2.906 212 T HA 0.782 5.133 4.350 0.001 0.000 0.295 212 T C 0.401 174.985 174.700 -0.194 0.000 1.075 212 T CA 0.147 62.149 62.100 -0.163 0.000 1.005 212 T CB 1.191 69.995 68.868 -0.106 0.000 1.136 212 T HN 2.618 nan 8.240 nan 0.000 0.498 213 G N 0.495 109.053 108.800 -0.403 0.000 2.645 213 G HA2 -0.184 3.776 3.960 0.001 0.000 0.239 213 G HA3 -0.184 3.776 3.960 0.001 0.000 0.239 213 G C -0.634 174.053 174.900 -0.355 0.000 1.331 213 G CA -0.371 44.471 45.100 -0.429 0.000 0.890 213 G HN 0.996 nan 8.290 nan 0.000 0.572 214 W N 1.029 122.357 121.300 0.048 0.000 2.210 214 W HA 0.568 5.228 4.660 0.001 0.000 0.330 214 W C 0.706 177.424 176.519 0.332 0.000 1.334 214 W CA 0.161 57.638 57.345 0.220 0.000 1.227 214 W CB 0.732 30.234 29.460 0.069 0.000 1.178 214 W HN 0.262 nan 8.180 nan 0.000 0.560 215 K N 4.018 124.843 120.400 0.708 0.000 2.535 215 K HA 0.143 4.464 4.320 0.001 0.000 0.250 215 K C -1.761 175.001 176.600 0.270 0.000 0.948 215 K CA -1.315 55.210 56.287 0.397 0.000 0.796 215 K CB 1.749 34.298 32.500 0.082 0.000 1.216 215 K HN 0.346 nan 8.250 nan 0.000 0.432 216 Y N 2.669 122.744 120.300 -0.376 0.000 2.425 216 Y HA 0.288 4.839 4.550 0.001 0.000 0.347 216 Y C -0.570 175.110 175.900 -0.366 0.000 0.976 216 Y CA -0.494 57.139 58.100 -0.779 0.000 1.190 216 Y CB 0.639 38.327 38.460 -1.288 0.000 1.136 216 Y HN 0.183 nan 8.280 nan 0.000 0.517 217 V N 6.896 126.541 119.914 -0.448 0.000 2.483 217 V HA 0.380 4.500 4.120 0.001 0.000 0.297 217 V C -0.119 175.785 176.094 -0.316 0.000 1.027 217 V CA -1.371 60.704 62.300 -0.374 0.000 0.855 217 V CB 1.573 33.090 31.823 -0.509 0.000 0.995 217 V HN 0.769 nan 8.190 nan 0.000 0.424 218 R N 3.322 123.639 120.500 -0.304 0.000 3.333 218 R HA -0.221 4.119 4.340 0.001 0.000 0.256 218 R C 1.178 177.282 176.300 -0.326 0.000 1.010 218 R CA 0.711 56.678 56.100 -0.221 0.000 0.680 218 R CB -1.531 28.718 30.300 -0.084 0.000 1.102 218 R HN 1.680 nan 8.270 nan 0.000 0.440 219 G N -0.994 107.409 108.800 -0.663 0.000 2.159 219 G HA2 -0.314 3.647 3.960 0.001 0.000 0.256 219 G HA3 -0.314 3.647 3.960 0.001 0.000 0.256 219 G C -0.108 174.429 174.900 -0.605 0.000 0.977 219 G CA 0.703 45.435 45.100 -0.612 0.000 0.652 219 G HN 0.262 nan 8.290 nan 0.000 0.531 220 K N -1.033 118.929 120.400 -0.731 0.000 2.426 220 K HA 0.488 4.808 4.320 0.001 0.000 0.251 220 K C -0.920 175.428 176.600 -0.421 0.000 0.941 220 K CA -0.923 55.111 56.287 -0.421 0.000 0.808 220 K CB 1.437 33.720 32.500 -0.362 0.000 1.265 220 K HN 0.147 nan 8.250 nan 0.000 0.432 221 W N 1.511 122.750 121.300 -0.103 0.000 2.315 221 W HA 0.317 4.978 4.660 0.001 0.000 0.316 221 W C -0.215 176.204 176.519 -0.166 0.000 1.211 221 W CA -0.182 57.223 57.345 0.100 0.000 1.201 221 W CB 0.660 30.217 29.460 0.163 0.000 1.184 221 W HN 0.389 nan 8.180 nan 0.000 0.544 222 Y N 1.857 122.476 120.300 0.532 0.000 2.499 222 Y HA 0.325 4.876 4.550 0.001 0.000 0.347 222 Y C -0.970 175.037 175.900 0.178 0.000 0.987 222 Y CA -1.528 56.739 58.100 0.279 0.000 1.044 222 Y CB 1.442 40.033 38.460 0.218 0.000 1.245 222 Y HN 0.260 nan 8.280 nan 0.000 0.461 223 Y N 3.755 123.955 120.300 -0.168 0.000 2.334 223 Y HA 0.552 5.102 4.550 0.001 0.000 0.336 223 Y C -1.590 174.148 175.900 -0.270 0.000 0.960 223 Y CA -1.085 56.666 58.100 -0.581 0.000 1.164 223 Y CB 0.608 38.353 38.460 -1.193 0.000 1.155 223 Y HN 0.405 nan 8.280 nan 0.000 0.478 224 L N 5.531 126.317 121.223 -0.729 0.000 2.307 224 L HA 0.232 4.573 4.340 0.001 0.000 0.282 224 L C 0.319 176.692 176.870 -0.828 0.000 1.051 224 L CA -0.594 53.925 54.840 -0.536 0.000 0.804 224 L CB 1.151 43.023 42.059 -0.311 0.000 1.197 224 L HN 0.716 nan 8.230 nan 0.000 0.431 225 D N 1.682 121.809 120.400 -0.454 0.000 2.583 225 D HA -0.162 4.478 4.640 0.001 0.000 0.232 225 D C 0.954 177.073 176.300 -0.301 0.000 1.128 225 D CA 0.307 54.127 54.000 -0.300 0.000 0.859 225 D CB 0.968 41.678 40.800 -0.149 0.000 1.169 225 D HN 0.557 nan 8.370 nan 0.000 0.481 226 N N 3.310 121.885 118.700 -0.208 0.000 2.364 226 N HA -0.166 4.575 4.740 0.001 0.000 0.183 226 N C 1.489 176.952 175.510 -0.078 0.000 1.022 226 N CA 1.225 54.193 53.050 -0.136 0.000 0.883 226 N CB 0.162 38.641 38.487 -0.013 0.000 0.965 226 N HN 0.447 nan 8.380 nan 0.000 0.438 227 K N -1.118 119.241 120.400 -0.067 0.000 2.306 227 K HA 0.202 4.523 4.320 0.001 0.000 0.200 227 K C 0.804 177.348 176.600 -0.092 0.000 1.083 227 K CA 0.367 56.629 56.287 -0.042 0.000 0.959 227 K CB 0.282 32.769 32.500 -0.022 0.000 0.994 227 K HN 0.040 nan 8.250 nan 0.000 0.492 228 N N -0.425 118.190 118.700 -0.142 0.000 2.356 228 N HA 0.092 4.833 4.740 0.001 0.000 0.178 228 N C 0.825 176.220 175.510 -0.191 0.000 1.075 228 N CA 1.034 53.946 53.050 -0.230 0.000 0.889 228 N CB 1.295 39.671 38.487 -0.185 0.000 0.999 228 N HN 0.445 nan 8.380 nan 0.000 0.464 229 G N 1.526 110.243 108.800 -0.137 0.000 2.225 229 G HA2 -0.266 3.694 3.960 0.001 0.000 0.254 229 G HA3 -0.266 3.694 3.960 0.001 0.000 0.254 229 G C -0.236 174.572 174.900 -0.154 0.000 0.988 229 G CA 0.383 45.440 45.100 -0.071 0.000 0.625 229 G HN 0.528 nan 8.290 nan 0.000 0.527 230 D N 0.632 120.869 120.400 -0.272 0.000 2.390 230 D HA 0.286 4.927 4.640 0.001 0.000 0.249 230 D C 0.806 176.917 176.300 -0.314 0.000 1.144 230 D CA -0.310 53.337 54.000 -0.589 0.000 0.880 230 D CB 0.872 41.432 40.800 -0.400 0.000 1.182 230 D HN 0.365 nan 8.370 nan 0.000 0.451 231 M N 1.967 121.423 119.600 -0.241 0.000 2.219 231 M HA 0.016 4.496 4.480 0.001 0.000 0.353 231 M C -0.336 175.938 176.300 -0.044 0.000 1.304 231 M CA -0.147 55.120 55.300 -0.054 0.000 1.115 231 M CB 0.519 33.176 32.600 0.094 0.000 1.664 231 M HN 0.172 nan 8.290 nan 0.000 0.459 232 K N 3.317 123.705 120.400 -0.020 0.000 2.098 232 K HA 0.540 4.861 4.320 0.001 0.000 0.261 232 K C -0.076 176.496 176.600 -0.046 0.000 0.987 232 K CA -0.331 55.949 56.287 -0.011 0.000 0.916 232 K CB 1.498 34.019 32.500 0.035 0.000 1.039 232 K HN 0.819 nan 8.250 nan 0.000 0.455 233 T N -3.169 111.345 114.554 -0.066 0.000 2.864 233 T HA 0.726 5.076 4.350 0.001 0.000 0.289 233 T C 0.479 175.079 174.700 -0.166 0.000 1.082 233 T CA -0.114 61.897 62.100 -0.148 0.000 1.009 233 T CB 1.801 70.594 68.868 -0.124 0.000 1.234 233 T HN 0.775 nan 8.240 nan 0.000 0.526 234 G N -0.166 108.423 108.800 -0.352 0.000 2.645 234 G HA2 -0.185 3.776 3.960 0.001 0.000 0.246 234 G HA3 -0.185 3.776 3.960 0.001 0.000 0.246 234 G C -0.664 174.091 174.900 -0.241 0.000 1.322 234 G CA -0.260 44.644 45.100 -0.326 0.000 0.898 234 G HN 0.987 nan 8.290 nan 0.000 0.573 235 W N 0.995 122.377 121.300 0.137 0.000 2.210 235 W HA 0.554 5.214 4.660 0.001 0.000 0.330 235 W C 0.680 177.418 176.519 0.366 0.000 1.334 235 W CA 0.063 57.578 57.345 0.282 0.000 1.227 235 W CB 0.724 30.284 29.460 0.165 0.000 1.178 235 W HN 0.424 nan 8.180 nan 0.000 0.560 236 Q N 3.260 123.483 119.800 0.704 0.000 2.285 236 Q HA 0.131 4.472 4.340 0.001 0.000 0.269 236 Q C -1.716 174.418 176.000 0.224 0.000 1.030 236 Q CA -1.220 54.801 55.803 0.363 0.000 0.788 236 Q CB 2.137 30.910 28.738 0.058 0.000 1.266 236 Q HN 0.498 nan 8.270 nan 0.000 0.438 237 Y N 3.634 123.697 120.300 -0.396 0.000 2.454 237 Y HA 0.468 5.019 4.550 0.001 0.000 0.345 237 Y C -1.091 174.583 175.900 -0.377 0.000 0.970 237 Y CA -0.382 57.242 58.100 -0.793 0.000 1.204 237 Y CB 0.354 38.038 38.460 -1.293 0.000 1.122 237 Y HN 0.488 nan 8.280 nan 0.000 0.514 238 L N 4.659 125.601 121.223 -0.469 0.000 2.409 238 L HA 0.519 4.860 4.340 0.001 0.000 0.272 238 L C 0.693 177.392 176.870 -0.285 0.000 0.980 238 L CA -0.984 53.643 54.840 -0.354 0.000 0.826 238 L CB 2.089 43.921 42.059 -0.379 0.000 1.268 238 L HN 0.785 nan 8.230 nan 0.000 0.407 239 G N 2.356 110.988 108.800 -0.280 0.000 2.323 239 G HA2 -0.319 3.642 3.960 0.001 0.000 0.292 239 G HA3 -0.319 3.642 3.960 0.001 0.000 0.292 239 G C 0.493 175.214 174.900 -0.299 0.000 1.040 239 G CA 0.430 45.411 45.100 -0.198 0.000 0.942 239 G HN 0.880 nan 8.290 nan 0.000 0.506 240 N N -1.869 116.489 118.700 -0.571 0.000 2.741 240 N HA -0.157 4.583 4.740 0.001 0.000 0.251 240 N C 0.126 175.314 175.510 -0.538 0.000 1.112 240 N CA 2.040 54.748 53.050 -0.570 0.000 0.750 240 N CB -0.500 37.889 38.487 -0.165 0.000 1.119 240 N HN 0.740 nan 8.380 nan 0.000 0.561 241 K N -0.680 119.281 120.400 -0.732 0.000 2.508 241 K HA 0.363 4.684 4.320 0.001 0.000 0.260 241 K C -0.493 175.844 176.600 -0.437 0.000 0.949 241 K CA -0.378 55.658 56.287 -0.418 0.000 0.834 241 K CB 1.127 33.410 32.500 -0.361 0.000 1.365 241 K HN -0.001 nan 8.250 nan 0.000 0.437 242 W N 1.470 122.705 121.300 -0.109 0.000 2.365 242 W HA 0.355 5.016 4.660 0.001 0.000 0.316 242 W C -0.207 176.201 176.519 -0.184 0.000 1.164 242 W CA -0.194 57.204 57.345 0.088 0.000 1.204 242 W CB 0.692 30.268 29.460 0.193 0.000 1.213 242 W HN 0.379 nan 8.180 nan 0.000 0.539 243 Y N 1.855 122.468 120.300 0.523 0.000 2.499 243 Y HA 0.330 4.881 4.550 0.001 0.000 0.347 243 Y C -0.912 175.112 175.900 0.207 0.000 0.987 243 Y CA -1.554 56.727 58.100 0.301 0.000 1.044 243 Y CB 1.391 39.995 38.460 0.240 0.000 1.245 243 Y HN 0.278 nan 8.280 nan 0.000 0.461 244 Y N 3.554 123.750 120.300 -0.173 0.000 2.328 244 Y HA 0.668 5.218 4.550 0.001 0.000 0.337 244 Y C -1.500 174.151 175.900 -0.415 0.000 0.966 244 Y CA -1.209 56.464 58.100 -0.712 0.000 1.136 244 Y CB 0.690 38.246 38.460 -1.505 0.000 1.170 244 Y HN 0.515 nan 8.280 nan 0.000 0.470 245 L N 7.382 128.022 121.223 -0.972 0.000 2.307 245 L HA 0.593 4.934 4.340 0.001 0.000 0.284 245 L C 0.172 176.415 176.870 -1.044 0.000 1.023 245 L CA -1.098 53.317 54.840 -0.708 0.000 0.810 245 L CB 1.534 43.370 42.059 -0.371 0.000 1.231 245 L HN 0.675 nan 8.230 nan 0.000 0.423 246 R N 0.847 120.941 120.500 -0.678 0.000 2.783 246 R HA 0.184 4.524 4.340 0.001 0.000 0.276 246 R C 1.095 177.201 176.300 -0.323 0.000 1.223 246 R CA 0.069 55.883 56.100 -0.477 0.000 1.173 246 R CB 0.195 30.358 30.300 -0.229 0.000 1.157 246 R HN 0.693 nan 8.270 nan 0.000 0.600 247 S N -0.556 115.031 115.700 -0.188 0.000 2.447 247 S HA -0.180 4.290 4.470 0.001 0.000 0.233 247 S C 1.878 176.400 174.600 -0.130 0.000 1.006 247 S CA 0.940 59.066 58.200 -0.123 0.000 0.957 247 S CB -0.465 62.701 63.200 -0.056 0.000 0.773 247 S HN 0.760 nan 8.310 nan 0.000 0.507 248 S N 0.512 116.113 115.700 -0.165 0.000 2.522 248 S HA 0.391 4.862 4.470 0.001 0.000 0.227 248 S C 1.734 176.200 174.600 -0.222 0.000 0.986 248 S CA 0.730 58.796 58.200 -0.223 0.000 0.929 248 S CB -0.607 62.470 63.200 -0.205 0.000 0.769 248 S HN 1.404 nan 8.310 nan 0.000 0.529 249 G N 0.725 109.421 108.800 -0.173 0.000 2.232 249 G HA2 -0.083 3.878 3.960 0.001 0.000 0.226 249 G HA3 -0.083 3.878 3.960 0.001 0.000 0.226 249 G C 0.267 175.028 174.900 -0.232 0.000 0.996 249 G CA -0.152 44.898 45.100 -0.084 0.000 0.626 249 G HN 1.324 nan 8.290 nan 0.000 0.509 250 A N 1.328 123.910 122.820 -0.397 0.000 2.488 250 A HA 0.651 4.971 4.320 0.001 0.000 0.249 250 A C 0.698 178.078 177.584 -0.341 0.000 1.083 250 A CA 0.700 52.363 52.037 -0.625 0.000 0.768 250 A CB 0.246 18.970 19.000 -0.460 0.000 1.017 250 A HN 1.087 nan 8.150 nan 0.000 0.496 251 M N 3.755 123.229 119.600 -0.211 0.000 2.239 251 M HA 0.257 4.737 4.480 0.001 0.000 0.348 251 M C -0.739 175.521 176.300 -0.067 0.000 1.239 251 M CA 0.086 55.359 55.300 -0.045 0.000 1.114 251 M CB 0.261 32.959 32.600 0.163 0.000 1.641 251 M HN 0.438 nan 8.290 nan 0.000 0.453 252 V N 4.635 124.499 119.914 -0.084 0.000 2.509 252 V HA 0.435 4.555 4.120 0.001 0.000 0.284 252 V C 0.402 176.461 176.094 -0.059 0.000 1.047 252 V CA -0.462 61.801 62.300 -0.061 0.000 0.952 252 V CB 1.366 33.159 31.823 -0.050 0.000 0.988 252 V HN 0.976 nan 8.190 nan 0.000 0.469 253 T N 0.982 115.496 114.554 -0.067 0.000 2.924 253 T HA 0.874 5.225 4.350 0.001 0.000 0.291 253 T C 0.160 174.752 174.700 -0.180 0.000 1.045 253 T CA 0.106 62.116 62.100 -0.151 0.000 1.015 253 T CB 1.725 70.526 68.868 -0.112 0.000 1.103 253 T HN 1.854 nan 8.240 nan 0.000 0.496 254 G N 0.499 109.034 108.800 -0.442 0.000 2.615 254 G HA2 -0.134 3.827 3.960 0.001 0.000 0.218 254 G HA3 -0.134 3.827 3.960 0.001 0.000 0.218 254 G C -0.903 173.797 174.900 -0.333 0.000 1.339 254 G CA -0.566 44.269 45.100 -0.443 0.000 0.884 254 G HN 0.960 nan 8.290 nan 0.000 0.559 255 W N 0.013 121.425 121.300 0.187 0.000 2.253 255 W HA 0.564 5.224 4.660 0.001 0.000 0.322 255 W C 0.126 176.930 176.519 0.476 0.000 1.342 255 W CA 0.491 58.068 57.345 0.386 0.000 1.218 255 W CB 0.591 30.229 29.460 0.296 0.000 1.205 255 W HN 0.636 nan 8.180 nan 0.000 0.551 256 Y N 3.188 123.871 120.300 0.638 0.000 2.386 256 Y HA 0.284 4.834 4.550 0.001 0.000 0.334 256 Y C -0.845 175.162 175.900 0.179 0.000 1.002 256 Y CA -1.672 56.602 58.100 0.291 0.000 1.068 256 Y CB 1.321 39.775 38.460 -0.010 0.000 1.203 256 Y HN 0.450 nan 8.280 nan 0.000 0.443 257 Q N 4.978 124.234 119.800 -0.906 0.000 2.340 257 Q HA 0.225 4.566 4.340 0.001 0.000 0.259 257 Q C -1.509 173.756 176.000 -1.225 0.000 0.964 257 Q CA -0.596 54.439 55.803 -1.280 0.000 0.900 257 Q CB 0.885 28.609 28.738 -1.691 0.000 1.228 257 Q HN 0.721 nan 8.270 nan 0.000 0.449 258 D N 3.353 123.237 120.400 -0.860 0.000 2.443 258 D HA 0.360 5.000 4.640 0.001 0.000 0.221 258 D C 0.691 176.865 176.300 -0.210 0.000 1.097 258 D CA 1.031 54.779 54.000 -0.420 0.000 0.865 258 D CB 0.703 41.490 40.800 -0.021 0.000 1.034 258 D HN 0.854 nan 8.370 nan 0.000 0.511 259 G N 3.571 112.253 108.800 -0.197 0.000 2.565 259 G HA2 -0.319 3.642 3.960 0.001 0.000 0.295 259 G HA3 -0.319 3.642 3.960 0.001 0.000 0.295 259 G C 0.966 175.735 174.900 -0.219 0.000 1.165 259 G CA 0.424 45.436 45.100 -0.147 0.000 0.977 259 G HN 0.516 nan 8.290 nan 0.000 0.546 260 L N 1.584 122.703 121.223 -0.173 0.000 2.477 260 L HA 0.245 4.586 4.340 0.001 0.000 0.220 260 L C 1.252 177.962 176.870 -0.267 0.000 1.106 260 L CA 0.821 55.551 54.840 -0.183 0.000 0.851 260 L CB -0.069 41.947 42.059 -0.072 0.000 0.994 260 L HN 0.418 nan 8.230 nan 0.000 0.462 261 T N -0.162 114.237 114.554 -0.259 0.000 2.817 261 T HA 0.168 4.519 4.350 0.001 0.000 0.293 261 T C -0.771 173.681 174.700 -0.413 0.000 0.964 261 T CA -0.206 61.743 62.100 -0.252 0.000 1.085 261 T CB 0.482 69.237 68.868 -0.188 0.000 0.921 261 T HN 0.033 nan 8.240 nan 0.000 0.502 262 W N 2.396 123.568 121.300 -0.212 0.000 2.438 262 W HA 0.560 5.220 4.660 0.001 0.000 0.324 262 W C -0.581 175.821 176.519 -0.195 0.000 1.119 262 W CA -0.617 56.689 57.345 -0.064 0.000 1.221 262 W CB 0.744 30.231 29.460 0.044 0.000 1.253 262 W HN 0.598 nan 8.180 nan 0.000 0.555 263 Y N 1.331 121.978 120.300 0.578 0.000 2.536 263 Y HA 0.376 4.926 4.550 0.001 0.000 0.347 263 Y C -1.049 175.118 175.900 0.444 0.000 1.000 263 Y CA -1.575 56.805 58.100 0.465 0.000 1.051 263 Y CB 1.562 40.313 38.460 0.484 0.000 1.259 263 Y HN 0.279 nan 8.280 nan 0.000 0.468 264 Y N 3.320 123.668 120.300 0.080 0.000 2.328 264 Y HA 0.563 5.113 4.550 0.001 0.000 0.336 264 Y C -1.688 174.039 175.900 -0.287 0.000 0.960 264 Y CA -1.173 56.674 58.100 -0.422 0.000 1.134 264 Y CB 0.784 38.596 38.460 -1.079 0.000 1.166 264 Y HN 0.415 nan 8.280 nan 0.000 0.464 265 L N 5.821 126.621 121.223 -0.706 0.000 2.275 265 L HA 0.252 4.592 4.340 0.001 0.000 0.288 265 L C 0.103 176.513 176.870 -0.767 0.000 1.046 265 L CA -0.682 53.858 54.840 -0.499 0.000 0.805 265 L CB 0.678 42.582 42.059 -0.258 0.000 1.193 265 L HN 0.727 nan 8.230 nan 0.000 0.426 266 N N 2.262 120.690 118.700 -0.453 0.000 2.357 266 N HA 0.025 4.765 4.740 0.001 0.000 0.257 266 N C 0.054 175.407 175.510 -0.263 0.000 1.250 266 N CA 0.157 53.030 53.050 -0.295 0.000 0.862 266 N CB 0.816 39.200 38.487 -0.172 0.000 1.066 266 N HN 0.751 nan 8.380 nan 0.000 0.468 267 A N 2.530 125.250 122.820 -0.167 0.000 2.546 267 A HA 0.457 4.777 4.320 0.001 0.000 0.243 267 A C 1.521 179.063 177.584 -0.071 0.000 1.063 267 A CA 0.656 52.638 52.037 -0.092 0.000 0.757 267 A CB -0.746 18.253 19.000 -0.001 0.000 0.991 267 A HN 1.115 nan 8.150 nan 0.000 0.503 268 G N 2.506 111.274 108.800 -0.054 0.000 5.347 268 G HA2 -0.413 3.547 3.960 0.001 0.000 0.299 268 G HA3 -0.413 3.547 3.960 0.001 0.000 0.299 268 G C 1.276 176.114 174.900 -0.102 0.000 1.492 268 G CA 1.143 46.215 45.100 -0.046 0.000 0.991 268 G HN 1.048 nan 8.290 nan 0.000 0.749 269 N N 1.941 120.550 118.700 -0.152 0.000 2.216 269 N HA 0.297 5.037 4.740 0.001 0.000 0.183 269 N C 1.954 177.337 175.510 -0.212 0.000 1.017 269 N CA 2.881 55.788 53.050 -0.240 0.000 0.861 269 N CB -0.335 38.035 38.487 -0.195 0.000 0.986 269 N HN 2.007 nan 8.380 nan 0.000 0.428 270 G N -0.165 108.546 108.800 -0.149 0.000 2.175 270 G HA2 -0.262 3.699 3.960 0.001 0.000 0.244 270 G HA3 -0.262 3.699 3.960 0.001 0.000 0.244 270 G C -0.567 174.242 174.900 -0.151 0.000 0.982 270 G CA 0.308 45.356 45.100 -0.087 0.000 0.641 270 G HN 0.657 nan 8.290 nan 0.000 0.527 271 D N 0.468 120.681 120.400 -0.311 0.000 2.424 271 D HA 0.271 4.912 4.640 0.001 0.000 0.244 271 D C 0.866 176.980 176.300 -0.311 0.000 1.134 271 D CA -0.294 53.351 54.000 -0.591 0.000 0.881 271 D CB 0.796 41.313 40.800 -0.471 0.000 1.191 271 D HN 0.369 nan 8.370 nan 0.000 0.445 272 M N 1.696 121.179 119.600 -0.196 0.000 2.219 272 M HA 0.018 4.499 4.480 0.001 0.000 0.353 272 M C -0.090 176.152 176.300 -0.096 0.000 1.304 272 M CA -0.128 55.157 55.300 -0.025 0.000 1.115 272 M CB 0.491 33.218 32.600 0.212 0.000 1.664 272 M HN 0.149 nan 8.290 nan 0.000 0.459 273 K N 3.580 123.857 120.400 -0.206 0.000 2.218 273 K HA 0.358 4.679 4.320 0.001 0.000 0.276 273 K C -0.134 176.324 176.600 -0.237 0.000 1.022 273 K CA -0.085 56.003 56.287 -0.331 0.000 0.946 273 K CB 1.279 33.288 32.500 -0.818 0.000 1.000 273 K HN 0.810 nan 8.250 nan 0.000 0.468 274 T N -2.079 112.387 114.554 -0.147 0.000 2.916 274 T HA 0.721 5.072 4.350 0.001 0.000 0.292 274 T C 0.482 175.109 174.700 -0.122 0.000 1.064 274 T CA -0.107 61.915 62.100 -0.129 0.000 1.011 274 T CB 1.924 70.751 68.868 -0.069 0.000 1.152 274 T HN 0.772 nan 8.240 nan 0.000 0.510 275 G N 0.078 108.663 108.800 -0.359 0.000 2.645 275 G HA2 -0.176 3.784 3.960 0.001 0.000 0.239 275 G HA3 -0.176 3.784 3.960 0.001 0.000 0.239 275 G C -0.804 173.963 174.900 -0.221 0.000 1.331 275 G CA -0.333 44.528 45.100 -0.398 0.000 0.890 275 G HN 0.970 nan 8.290 nan 0.000 0.572 276 W N 0.698 122.113 121.300 0.192 0.000 2.266 276 W HA 0.580 5.240 4.660 0.001 0.000 0.317 276 W C 0.658 177.473 176.519 0.492 0.000 1.310 276 W CA 0.528 58.068 57.345 0.325 0.000 1.207 276 W CB 0.409 29.981 29.460 0.186 0.000 1.199 276 W HN 0.609 nan 8.180 nan 0.000 0.544 277 F N 0.615 120.881 119.950 0.527 0.000 2.631 277 F HA 0.508 5.036 4.527 0.001 0.000 0.308 277 F C -1.002 174.734 175.800 -0.106 0.000 1.097 277 F CA -1.722 56.374 58.000 0.161 0.000 0.952 277 F CB 1.420 40.424 39.000 0.007 0.000 1.307 277 F HN 0.264 nan 8.300 nan 0.000 0.450 278 Q N 2.004 121.557 119.800 -0.412 0.000 2.293 278 Q HA 0.747 5.088 4.340 0.001 0.000 0.261 278 Q C -1.861 173.990 176.000 -0.248 0.000 0.960 278 Q CA -0.953 54.448 55.803 -0.671 0.000 0.882 278 Q CB 2.285 30.356 28.738 -1.113 0.000 1.275 278 Q HN 0.753 nan 8.270 nan 0.000 0.445 279 V N 4.462 124.310 119.914 -0.111 0.000 2.482 279 V HA 0.235 4.356 4.120 0.001 0.000 0.295 279 V C -0.270 175.851 176.094 0.045 0.000 1.026 279 V CA -0.833 61.436 62.300 -0.052 0.000 0.856 279 V CB 1.327 33.052 31.823 -0.162 0.000 1.001 279 V HN 1.045 nan 8.190 nan 0.000 0.424 280 N N 3.776 122.480 118.700 0.007 0.000 2.725 280 N HA -0.197 4.544 4.740 0.001 0.000 0.251 280 N C 1.124 176.627 175.510 -0.010 0.000 1.031 280 N CA 1.881 54.942 53.050 0.018 0.000 0.720 280 N CB -0.904 37.620 38.487 0.062 0.000 0.930 280 N HN 1.631 nan 8.380 nan 0.000 0.543 281 G N -1.559 107.199 108.800 -0.070 0.000 2.320 281 G HA2 -0.351 3.609 3.960 0.001 0.000 0.242 281 G HA3 -0.351 3.609 3.960 0.001 0.000 0.242 281 G C 0.082 174.907 174.900 -0.126 0.000 1.033 281 G CA 0.706 45.755 45.100 -0.085 0.000 0.620 281 G HN 0.573 nan 8.290 nan 0.000 0.517 282 K N -0.373 119.961 120.400 -0.110 0.000 2.098 282 K HA 0.496 4.817 4.320 0.001 0.000 0.261 282 K C -0.765 175.650 176.600 -0.308 0.000 0.987 282 K CA -0.621 55.575 56.287 -0.153 0.000 0.916 282 K CB 1.227 33.625 32.500 -0.169 0.000 1.039 282 K HN 0.202 nan 8.250 nan 0.000 0.455 283 W N 1.269 122.416 121.300 -0.255 0.000 2.496 283 W HA 0.339 4.999 4.660 0.001 0.000 0.327 283 W C -0.562 175.690 176.519 -0.445 0.000 1.086 283 W CA -0.169 57.080 57.345 -0.161 0.000 1.222 283 W CB 0.871 30.375 29.460 0.073 0.000 1.304 283 W HN 0.445 nan 8.180 nan 0.000 0.547 284 Y N 1.340 121.691 120.300 0.086 0.000 2.581 284 Y HA 0.410 4.961 4.550 0.001 0.000 0.345 284 Y C -1.216 174.458 175.900 -0.376 0.000 1.036 284 Y CA -1.615 56.342 58.100 -0.237 0.000 1.042 284 Y CB 1.803 39.867 38.460 -0.660 0.000 1.289 284 Y HN 0.298 nan 8.280 nan 0.000 0.471 285 Y N 1.387 121.421 120.300 -0.444 0.000 2.338 285 Y HA 0.796 5.347 4.550 0.001 0.000 0.333 285 Y C -1.026 174.659 175.900 -0.359 0.000 0.968 285 Y CA -1.015 56.630 58.100 -0.758 0.000 1.123 285 Y CB 1.140 38.634 38.460 -1.609 0.000 1.165 285 Y HN 0.725 nan 8.280 nan 0.000 0.452 286 A N 6.028 128.507 122.820 -0.569 0.000 2.304 286 A HA 0.539 4.859 4.320 0.001 0.000 0.323 286 A C -1.382 175.765 177.584 -0.729 0.000 1.195 286 A CA -0.493 51.317 52.037 -0.377 0.000 0.826 286 A CB 0.207 19.202 19.000 -0.008 0.000 1.184 286 A HN 0.853 nan 8.150 nan 0.000 0.496 287 Y N 1.093 121.264 120.300 -0.215 0.000 2.223 287 Y HA 0.081 4.632 4.550 0.001 0.000 0.352 287 Y C 2.263 178.097 175.900 -0.109 0.000 1.293 287 Y CA 0.940 58.978 58.100 -0.103 0.000 1.601 287 Y CB 0.524 38.992 38.460 0.013 0.000 1.407 287 Y HN 0.843 nan 8.280 nan 0.000 0.639 288 S N -1.145 114.639 115.700 0.141 0.000 2.419 288 S HA -0.199 4.272 4.470 0.001 0.000 0.233 288 S C 1.763 176.383 174.600 0.034 0.000 1.016 288 S CA 1.099 59.338 58.200 0.065 0.000 0.974 288 S CB -0.901 62.343 63.200 0.073 0.000 0.786 288 S HN 0.700 nan 8.310 nan 0.000 0.492 289 S N 0.521 116.233 115.700 0.020 0.000 2.515 289 S HA 0.369 4.839 4.470 0.001 0.000 0.231 289 S C 1.746 176.312 174.600 -0.056 0.000 0.987 289 S CA 0.733 58.889 58.200 -0.073 0.000 0.936 289 S CB -0.715 62.442 63.200 -0.071 0.000 0.766 289 S HN 1.490 nan 8.310 nan 0.000 0.528 290 G N 0.665 109.484 108.800 0.031 0.000 2.213 290 G HA2 -0.078 3.883 3.960 0.001 0.000 0.226 290 G HA3 -0.078 3.883 3.960 0.001 0.000 0.226 290 G C 0.248 175.143 174.900 -0.009 0.000 0.992 290 G CA -0.142 45.027 45.100 0.115 0.000 0.632 290 G HN 1.318 nan 8.290 nan 0.000 0.511 291 A N 0.529 123.287 122.820 -0.103 0.000 2.488 291 A HA 0.624 4.945 4.320 0.001 0.000 0.249 291 A C 0.464 178.055 177.584 0.012 0.000 1.083 291 A CA 0.354 52.246 52.037 -0.241 0.000 0.768 291 A CB 0.543 19.503 19.000 -0.068 0.000 1.017 291 A HN 1.582 nan 8.150 nan 0.000 0.496 292 L N 3.183 124.426 121.223 0.033 0.000 2.367 292 L HA 0.511 4.851 4.340 0.001 0.000 0.275 292 L C 0.685 177.643 176.870 0.146 0.000 1.129 292 L CA 0.343 55.278 54.840 0.157 0.000 0.839 292 L CB 0.675 42.911 42.059 0.296 0.000 1.133 292 L HN 0.794 nan 8.230 nan 0.000 0.453 293 A N 5.693 128.541 122.820 0.048 0.000 2.409 293 A HA 0.578 4.899 4.320 0.001 0.000 0.262 293 A C -0.512 177.141 177.584 0.115 0.000 1.113 293 A CA 0.123 52.221 52.037 0.101 0.000 0.790 293 A CB 0.062 18.992 19.000 -0.116 0.000 1.046 293 A HN 1.188 nan 8.150 nan 0.000 0.496 294 V N 0.469 120.471 119.914 0.146 0.000 2.841 294 V HA 0.675 4.796 4.120 0.001 0.000 0.310 294 V C 0.020 176.187 176.094 0.122 0.000 1.090 294 V CA -0.758 61.614 62.300 0.120 0.000 0.930 294 V CB 1.301 33.202 31.823 0.130 0.000 1.014 294 V HN 1.130 nan 8.190 nan 0.000 0.425 295 N N 0.874 119.643 118.700 0.115 0.000 2.688 295 N HA -0.182 4.558 4.740 0.001 0.000 0.258 295 N C -0.357 175.212 175.510 0.098 0.000 1.016 295 N CA 1.638 54.755 53.050 0.112 0.000 0.747 295 N CB -0.843 37.715 38.487 0.118 0.000 0.895 295 N HN 1.497 nan 8.380 nan 0.000 0.543 296 T N -1.923 112.692 114.554 0.101 0.000 2.649 296 T HA 0.694 5.044 4.350 0.001 0.000 0.305 296 T C -1.130 173.628 174.700 0.097 0.000 1.409 296 T CA 0.144 62.300 62.100 0.094 0.000 1.021 296 T CB 0.760 69.694 68.868 0.111 0.000 1.726 296 T HN 0.383 nan 8.240 nan 0.000 0.475 297 T N -0.580 114.024 114.554 0.083 0.000 2.908 297 T HA 0.777 5.128 4.350 0.001 0.000 0.290 297 T C -1.194 173.533 174.700 0.045 0.000 1.034 297 T CA -0.651 61.499 62.100 0.083 0.000 1.010 297 T CB 1.517 70.419 68.868 0.057 0.000 1.068 297 T HN 0.474 nan 8.240 nan 0.000 0.481 298 V N 2.498 122.438 119.914 0.042 0.000 2.419 298 V HA 0.343 4.464 4.120 0.001 0.000 0.287 298 V C -0.714 175.419 176.094 0.064 0.000 1.017 298 V CA -0.807 61.439 62.300 -0.090 0.000 0.844 298 V CB 0.924 32.430 31.823 -0.528 0.000 1.011 298 V HN 1.115 nan 8.190 nan 0.000 0.429 299 D N 4.326 124.722 120.400 -0.006 0.000 2.708 299 D HA -0.197 4.444 4.640 0.001 0.000 0.236 299 D C 1.313 177.488 176.300 -0.208 0.000 1.146 299 D CA 1.837 55.821 54.000 -0.027 0.000 0.662 299 D CB -1.104 39.737 40.800 0.069 0.000 1.059 299 D HN 1.398 nan 8.370 nan 0.000 0.428 300 G N -1.540 107.137 108.800 -0.204 0.000 2.258 300 G HA2 -0.341 3.620 3.960 0.001 0.000 0.233 300 G HA3 -0.341 3.620 3.960 0.001 0.000 0.233 300 G C 0.109 174.809 174.900 -0.333 0.000 1.006 300 G CA 0.081 44.977 45.100 -0.339 0.000 0.620 300 G HN 0.428 nan 8.290 nan 0.000 0.511 301 Y N 2.098 122.406 120.300 0.012 0.000 2.313 301 Y HA 0.638 5.188 4.550 0.001 0.000 0.332 301 Y C 0.898 176.908 175.900 0.184 0.000 1.071 301 Y CA -0.336 57.812 58.100 0.081 0.000 1.169 301 Y CB 1.669 39.995 38.460 -0.224 0.000 1.192 301 Y HN 0.084 nan 8.280 nan 0.000 0.487 302 S N 2.768 118.699 115.700 0.385 0.000 2.562 302 S HA 0.560 5.031 4.470 0.001 0.000 0.275 302 S C -0.507 174.289 174.600 0.325 0.000 1.281 302 S CA -0.873 57.486 58.200 0.266 0.000 1.045 302 S CB 0.909 64.208 63.200 0.165 0.000 0.962 302 S HN 0.521 nan 8.310 nan 0.000 0.503 303 V N 1.307 121.353 119.914 0.220 0.000 2.588 303 V HA 0.663 4.783 4.120 0.001 0.000 0.304 303 V C -0.258 175.894 176.094 0.097 0.000 1.042 303 V CA -1.251 61.154 62.300 0.174 0.000 0.877 303 V CB 1.418 33.338 31.823 0.162 0.000 0.996 303 V HN 0.861 nan 8.190 nan 0.000 0.425 304 N N 3.341 122.064 118.700 0.038 0.000 2.381 304 N HA 0.188 4.928 4.740 0.001 0.000 0.289 304 N C 0.993 176.514 175.510 0.018 0.000 1.288 304 N CA 0.260 53.326 53.050 0.026 0.000 0.960 304 N CB -0.274 38.191 38.487 -0.038 0.000 1.116 304 N HN 0.914 nan 8.380 nan 0.000 0.557 305 Y N -2.373 117.930 120.300 0.006 0.000 2.403 305 Y HA 0.143 4.694 4.550 0.001 0.000 0.291 305 Y C 0.896 176.778 175.900 -0.029 0.000 1.143 305 Y CA 0.977 59.079 58.100 0.004 0.000 1.257 305 Y CB -0.551 37.910 38.460 0.002 0.000 0.984 305 Y HN 0.292 nan 8.280 nan 0.000 0.550 306 N N 0.442 118.766 118.700 -0.627 0.000 2.412 306 N HA 0.094 4.835 4.740 0.001 0.000 0.184 306 N C 1.555 176.920 175.510 -0.242 0.000 1.101 306 N CA 1.085 53.832 53.050 -0.505 0.000 0.881 306 N CB 0.343 38.463 38.487 -0.613 0.000 0.969 306 N HN 0.682 nan 8.380 nan 0.000 0.459 307 G N 0.801 109.536 108.800 -0.108 0.000 2.157 307 G HA2 -0.268 3.693 3.960 0.001 0.000 0.248 307 G HA3 -0.268 3.693 3.960 0.001 0.000 0.248 307 G C -0.209 174.687 174.900 -0.007 0.000 0.979 307 G CA -0.133 44.994 45.100 0.047 0.000 0.650 307 G HN 0.405 nan 8.290 nan 0.000 0.529 308 E N -0.799 119.293 120.200 -0.180 0.000 2.373 308 E HA 0.317 4.668 4.350 0.001 0.000 0.267 308 E C 0.091 176.664 176.600 -0.045 0.000 1.032 308 E CA -0.765 55.420 56.400 -0.359 0.000 0.889 308 E CB 0.671 30.186 29.700 -0.309 0.000 0.984 308 E HN 0.302 nan 8.360 nan 0.000 0.425 309 W N 5.041 126.244 121.300 -0.163 0.000 2.419 309 W HA 0.218 4.879 4.660 0.001 0.000 0.312 309 W C -0.978 175.505 176.519 -0.061 0.000 1.323 309 W CA -0.740 56.588 57.345 -0.027 0.000 1.293 309 W CB 0.321 29.763 29.460 -0.030 0.000 1.324 309 W HN 0.168 nan 8.180 nan 0.000 0.512 310 V N 8.892 128.716 119.914 -0.151 0.000 2.333 310 V HA 0.250 4.370 4.120 0.001 0.000 0.274 310 V C 0.254 176.066 176.094 -0.470 0.000 1.028 310 V CA -0.495 61.612 62.300 -0.322 0.000 0.851 310 V CB 0.746 32.494 31.823 -0.126 0.000 1.000 310 V HN 0.715 nan 8.190 nan 0.000 0.456 311 Q N 0.000 119.333 119.800 -0.778 0.000 2.315 311 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 311 Q CA 0.000 55.450 55.803 -0.588 0.000 1.022 311 Q CB 0.000 28.276 28.738 -0.771 0.000 1.108 311 Q HN 0.000 nan 8.270 nan 0.000 0.481