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 2gmr_1_M DATA FIRST_RESID 4 DATA SEQUENCE QNIFSQVQVR GPADLGMTED VNLANRSGVG PFSTLLGWFG NAQLGPIYLG DATA SEQUENCE SLGVLSLFSG LMWFFTIGIW FWYQAGWNPA VFLRDLFFFS LEPPAPEYGL DATA SEQUENCE SFAAPLKEGG LWLIASFFMF VAVWSWWGRT YLRAQALGMG KHTAWAFLSA DATA SEQUENCE IWLWMVLGFI RPILMGSWSE AVPYGIFSHL DWTNNFSLVH GNLFYNPFHG DATA SEQUENCE LSIAFLYGSA LLFAMHGATI LAVSRFGGER ELEQIADRGT AAERAALFWR DATA SEQUENCE WTMGFNATME GIHRWAIWMA VLVTLTGGIG ILLSGTVVDN WYVWGQN 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.979 176.000 -0.035 0.000 1.003 4 Q CA 0.000 55.782 55.803 -0.036 0.000 1.022 4 Q CB 0.000 28.732 28.738 -0.010 0.000 1.108 5 N N 4.305 122.969 118.700 -0.061 0.000 2.471 5 N HA 0.143 4.888 4.740 0.007 0.000 0.270 5 N C -0.159 175.288 175.510 -0.105 0.000 1.490 5 N CA 0.029 53.045 53.050 -0.057 0.000 0.850 5 N CB 0.526 38.968 38.487 -0.074 0.000 1.411 5 N HN 0.647 nan 8.380 nan 0.000 0.488 6 I N -0.057 120.426 120.570 -0.145 0.000 2.353 6 I HA 0.197 4.371 4.170 0.007 0.000 0.248 6 I C 0.122 176.019 176.117 -0.367 0.000 1.119 6 I CA 1.166 62.274 61.300 -0.320 0.000 1.417 6 I CB -0.047 37.704 38.000 -0.416 0.000 1.078 6 I HN 0.066 nan 8.210 nan 0.000 0.421 7 F N -0.903 119.094 119.950 0.079 0.000 2.546 7 F HA 0.390 4.921 4.527 0.007 0.000 0.320 7 F C 0.806 176.693 175.800 0.145 0.000 1.076 7 F CA -1.073 57.019 58.000 0.153 0.000 0.928 7 F CB 1.351 40.424 39.000 0.122 0.000 1.189 7 F HN -0.409 nan 8.300 nan 0.000 0.465 8 S N 1.317 117.304 115.700 0.478 0.000 2.580 8 S HA 0.104 4.578 4.470 0.007 0.000 0.274 8 S C 0.690 175.531 174.600 0.402 0.000 1.329 8 S CA -0.663 57.740 58.200 0.338 0.000 1.036 8 S CB 1.493 64.853 63.200 0.266 0.000 0.919 8 S HN 0.687 nan 8.310 nan 0.000 0.515 9 Q N 0.291 120.244 119.800 0.255 0.000 2.123 9 Q HA 0.157 4.501 4.340 0.007 0.000 0.196 9 Q C 0.247 176.427 176.000 0.299 0.000 0.958 9 Q CA 0.718 56.657 55.803 0.227 0.000 0.841 9 Q CB 0.233 29.043 28.738 0.121 0.000 0.915 9 Q HN 0.444 nan 8.270 nan 0.000 0.455 10 V N 0.621 120.662 119.914 0.212 0.000 2.760 10 V HA 0.243 4.367 4.120 0.007 0.000 0.309 10 V C -1.669 174.437 176.094 0.019 0.000 1.077 10 V CA -0.691 61.691 62.300 0.137 0.000 0.910 10 V CB 2.193 34.063 31.823 0.078 0.000 1.008 10 V HN 0.125 nan 8.190 nan 0.000 0.424 11 Q N 3.256 122.990 119.800 -0.111 0.000 2.222 11 Q HA 0.720 5.064 4.340 0.007 0.000 0.252 11 Q C -1.232 174.702 176.000 -0.110 0.000 0.926 11 Q CA -0.588 55.106 55.803 -0.182 0.000 0.899 11 Q CB 2.448 30.953 28.738 -0.389 0.000 1.250 11 Q HN 0.620 nan 8.270 nan 0.000 0.441 12 V N 2.062 121.926 119.914 -0.084 0.000 2.823 12 V HA 0.614 4.739 4.120 0.007 0.000 0.312 12 V C -0.690 175.366 176.094 -0.064 0.000 1.072 12 V CA -0.674 61.588 62.300 -0.063 0.000 0.937 12 V CB 2.222 34.022 31.823 -0.038 0.000 1.013 12 V HN 0.693 nan 8.190 nan 0.000 0.430 13 R N 1.557 122.007 120.500 -0.082 0.000 2.626 13 R HA 0.732 5.076 4.340 0.007 0.000 0.274 13 R C -0.607 175.615 176.300 -0.130 0.000 1.031 13 R CA -0.100 55.931 56.100 -0.114 0.000 0.898 13 R CB 2.277 32.456 30.300 -0.201 0.000 1.222 13 R HN 0.939 nan 8.270 nan 0.000 0.455 14 G N 2.271 110.995 108.800 -0.127 0.000 2.827 14 G HA2 0.525 4.489 3.960 0.007 0.000 0.296 14 G HA3 0.525 4.489 3.960 0.007 0.000 0.296 14 G C -2.662 172.170 174.900 -0.112 0.000 1.362 14 G CA -1.092 43.944 45.100 -0.106 0.000 0.809 14 G HN 0.447 nan 8.290 nan 0.000 0.522 15 P HA 0.320 nan 4.420 nan 0.000 0.263 15 P C 0.234 177.558 177.300 0.040 0.000 1.162 15 P CA 0.333 63.415 63.100 -0.031 0.000 0.758 15 P CB 0.400 32.092 31.700 -0.013 0.000 0.773 16 A N 2.589 125.465 122.820 0.094 0.000 2.540 16 A HA 0.036 4.360 4.320 0.007 0.000 0.239 16 A C 0.474 178.135 177.584 0.129 0.000 1.061 16 A CA 0.113 52.294 52.037 0.240 0.000 0.758 16 A CB -0.154 18.990 19.000 0.241 0.000 0.991 16 A HN 0.535 nan 8.150 nan 0.000 0.502 17 D N 2.777 123.251 120.400 0.122 0.000 2.380 17 D HA 0.283 4.927 4.640 0.007 0.000 0.230 17 D C 0.776 177.095 176.300 0.031 0.000 1.154 17 D CA -0.101 53.933 54.000 0.057 0.000 0.859 17 D CB 0.660 41.487 40.800 0.044 0.000 1.045 17 D HN 0.503 nan 8.370 nan 0.000 0.495 18 L N 2.911 124.148 121.223 0.023 0.000 2.554 18 L HA 0.190 4.534 4.340 0.007 0.000 0.226 18 L C 1.479 178.351 176.870 0.002 0.000 1.137 18 L CA 0.254 55.102 54.840 0.013 0.000 0.863 18 L CB -0.623 41.445 42.059 0.014 0.000 0.985 18 L HN 0.591 nan 8.230 nan 0.000 0.451 19 G N -0.039 108.759 108.800 -0.003 0.000 2.757 19 G HA2 -0.183 3.781 3.960 0.007 0.000 0.638 19 G HA3 -0.183 3.781 3.960 0.007 0.000 0.638 19 G C -0.384 174.506 174.900 -0.017 0.000 1.344 19 G CA -0.885 44.207 45.100 -0.014 0.000 0.855 19 G HN -0.138 nan 8.290 nan 0.000 0.537 20 M N 0.083 119.666 119.600 -0.028 0.000 2.228 20 M HA 0.374 4.859 4.480 0.007 0.000 0.326 20 M C 1.654 177.936 176.300 -0.030 0.000 1.122 20 M CA 0.400 55.681 55.300 -0.031 0.000 1.161 20 M CB 0.381 32.955 32.600 -0.044 0.000 1.437 20 M HN 0.701 nan 8.290 nan 0.000 0.465 21 T N -0.435 114.103 114.554 -0.027 0.000 2.980 21 T HA 0.051 4.406 4.350 0.007 0.000 0.239 21 T C 0.536 175.216 174.700 -0.033 0.000 1.011 21 T CA 0.072 62.159 62.100 -0.022 0.000 1.171 21 T CB 0.230 69.090 68.868 -0.013 0.000 0.873 21 T HN 0.591 nan 8.240 nan 0.000 0.431 22 E N 1.164 121.342 120.200 -0.036 0.000 3.401 22 E HA -0.195 4.159 4.350 0.007 0.000 0.352 22 E C -0.032 176.545 176.600 -0.038 0.000 1.523 22 E CA 1.567 57.942 56.400 -0.043 0.000 1.794 22 E CB -1.223 28.440 29.700 -0.062 0.000 1.792 22 E HN 0.405 nan 8.360 nan 0.000 0.471 23 D N 0.894 121.264 120.400 -0.050 0.000 2.358 23 D HA 0.179 4.823 4.640 0.007 0.000 0.224 23 D C 0.034 176.310 176.300 -0.040 0.000 1.123 23 D CA 0.061 54.036 54.000 -0.040 0.000 0.833 23 D CB 0.178 40.951 40.800 -0.044 0.000 0.946 23 D HN -0.065 nan 8.370 nan 0.000 0.505 24 V N 1.898 121.785 119.914 -0.044 0.000 2.715 24 V HA -0.033 4.092 4.120 0.007 0.000 0.299 24 V C 0.997 177.128 176.094 0.060 0.000 1.054 24 V CA -0.480 61.804 62.300 -0.027 0.000 1.077 24 V CB 1.200 32.996 31.823 -0.044 0.000 0.972 24 V HN 0.124 nan 8.190 nan 0.000 0.484 25 N N 4.060 122.856 118.700 0.161 0.000 2.549 25 N HA 0.036 4.780 4.740 0.007 0.000 0.267 25 N C 0.743 176.333 175.510 0.133 0.000 1.182 25 N CA -0.269 52.866 53.050 0.142 0.000 1.019 25 N CB 0.618 39.199 38.487 0.156 0.000 1.380 25 N HN 0.542 nan 8.380 nan 0.000 0.505 26 L N 3.025 124.291 121.223 0.071 0.000 2.357 26 L HA -0.175 4.169 4.340 0.007 0.000 0.220 26 L C 2.215 179.086 176.870 0.000 0.000 1.123 26 L CA 1.340 56.206 54.840 0.043 0.000 0.782 26 L CB -0.755 41.316 42.059 0.021 0.000 0.910 26 L HN 0.609 nan 8.230 nan 0.000 0.442 27 A N -1.118 121.691 122.820 -0.017 0.000 2.066 27 A HA -0.098 4.227 4.320 0.007 0.000 0.218 27 A C 1.916 179.428 177.584 -0.119 0.000 1.157 27 A CA 1.140 53.145 52.037 -0.053 0.000 0.670 27 A CB -0.372 18.604 19.000 -0.041 0.000 0.804 27 A HN 0.486 nan 8.150 nan 0.000 0.453 28 N N -0.261 118.312 118.700 -0.211 0.000 2.336 28 N HA 0.041 4.786 4.740 0.007 0.000 0.189 28 N C 0.282 175.531 175.510 -0.435 0.000 1.113 28 N CA 0.173 52.953 53.050 -0.450 0.000 0.858 28 N CB 0.143 38.070 38.487 -0.934 0.000 0.970 28 N HN 0.440 nan 8.380 nan 0.000 0.471 29 R N 0.977 121.356 120.500 -0.202 0.000 2.410 29 R HA 0.193 4.538 4.340 0.007 0.000 0.288 29 R C 0.933 177.192 176.300 -0.068 0.000 1.051 29 R CA -0.178 55.872 56.100 -0.083 0.000 1.021 29 R CB 1.006 31.317 30.300 0.019 0.000 1.032 29 R HN 0.126 nan 8.270 nan 0.000 0.481 30 S N 1.054 116.725 115.700 -0.049 0.000 2.596 30 S HA 0.420 4.894 4.470 0.007 0.000 0.262 30 S C 0.657 175.245 174.600 -0.020 0.000 1.218 30 S CA -0.545 57.633 58.200 -0.036 0.000 0.998 30 S CB 0.802 63.985 63.200 -0.029 0.000 1.060 30 S HN 0.621 nan 8.310 nan 0.000 0.552 31 G N -0.883 107.909 108.800 -0.013 0.000 2.557 31 G HA2 0.539 4.504 3.960 0.007 0.000 0.302 31 G HA3 0.539 4.504 3.960 0.007 0.000 0.302 31 G C -0.644 174.254 174.900 -0.003 0.000 1.311 31 G CA -0.917 44.182 45.100 -0.002 0.000 1.030 31 G HN 0.754 nan 8.290 nan 0.000 0.509 32 V N 0.272 120.193 119.914 0.012 0.000 2.811 32 V HA 0.469 4.593 4.120 0.007 0.000 0.302 32 V C 1.394 177.483 176.094 -0.008 0.000 1.063 32 V CA 0.325 62.625 62.300 0.001 0.000 1.088 32 V CB 0.852 32.710 31.823 0.059 0.000 0.982 32 V HN 0.929 nan 8.190 nan 0.000 0.485 33 G N 4.314 113.075 108.800 -0.065 0.000 2.509 33 G HA2 0.535 4.499 3.960 0.007 0.000 0.269 33 G HA3 0.535 4.499 3.960 0.007 0.000 0.269 33 G C -2.395 172.478 174.900 -0.045 0.000 1.416 33 G CA -0.837 44.230 45.100 -0.055 0.000 1.052 33 G HN 0.642 nan 8.290 nan 0.000 0.542 34 P HA 0.388 nan 4.420 nan 0.000 0.278 34 P C -1.357 175.922 177.300 -0.035 0.000 1.266 34 P CA -0.465 62.672 63.100 0.062 0.000 0.807 34 P CB 1.063 32.795 31.700 0.053 0.000 1.094 35 F N -0.309 119.628 119.950 -0.022 0.000 2.404 35 F HA 0.271 4.802 4.527 0.007 0.000 0.354 35 F C 1.239 177.018 175.800 -0.035 0.000 1.122 35 F CA -0.199 57.782 58.000 -0.032 0.000 1.080 35 F CB 1.262 40.237 39.000 -0.043 0.000 1.131 35 F HN 0.096 nan 8.300 nan 0.000 0.471 36 S N 2.442 118.168 115.700 0.042 0.000 2.404 36 S HA 0.162 4.636 4.470 0.007 0.000 0.309 36 S C 1.095 175.697 174.600 0.003 0.000 1.076 36 S CA -0.439 57.776 58.200 0.027 0.000 1.095 36 S CB 0.656 63.859 63.200 0.005 0.000 0.972 36 S HN 0.760 nan 8.310 nan 0.000 0.484 37 T N 5.646 120.190 114.554 -0.017 0.000 2.833 37 T HA -0.095 4.259 4.350 0.007 0.000 0.269 37 T C 1.663 176.258 174.700 -0.176 0.000 1.054 37 T CA 1.143 63.160 62.100 -0.139 0.000 1.135 37 T CB -0.258 68.553 68.868 -0.095 0.000 0.869 37 T HN 0.536 nan 8.240 nan 0.000 0.466 38 L N 1.127 122.360 121.223 0.016 0.000 1.976 38 L HA 0.058 4.402 4.340 0.007 0.000 0.209 38 L C 2.155 179.120 176.870 0.158 0.000 1.071 38 L CA 1.681 56.613 54.840 0.153 0.000 0.746 38 L CB -0.847 41.286 42.059 0.124 0.000 0.890 38 L HN 0.259 nan 8.230 nan 0.000 0.432 39 L N -0.683 120.595 121.223 0.092 0.000 2.187 39 L HA -0.142 4.202 4.340 0.007 0.000 0.213 39 L C 2.397 179.342 176.870 0.125 0.000 1.100 39 L CA 0.988 55.903 54.840 0.126 0.000 0.765 39 L CB -1.295 40.806 42.059 0.071 0.000 0.904 39 L HN 0.501 nan 8.230 nan 0.000 0.437 40 G N -0.690 108.095 108.800 -0.025 0.000 2.501 40 G HA2 -0.258 3.706 3.960 0.007 0.000 0.220 40 G HA3 -0.258 3.706 3.960 0.007 0.000 0.220 40 G C 1.093 175.915 174.900 -0.130 0.000 1.114 40 G CA 0.263 45.278 45.100 -0.143 0.000 0.757 40 G HN 0.463 nan 8.290 nan 0.000 0.559 41 W N -1.575 119.817 121.300 0.153 0.000 2.576 41 W HA 0.341 5.005 4.660 0.007 0.000 0.270 41 W C 1.915 178.683 176.519 0.415 0.000 1.255 41 W CA -0.527 56.939 57.345 0.202 0.000 1.314 41 W CB -0.049 29.448 29.460 0.062 0.000 1.101 41 W HN 0.137 nan 8.180 nan 0.000 0.595 42 F N -0.675 119.521 119.950 0.409 0.000 2.514 42 F HA 0.417 4.949 4.527 0.008 0.000 0.281 42 F C 1.541 177.425 175.800 0.139 0.000 1.060 42 F CA 1.392 59.573 58.000 0.302 0.000 1.397 42 F CB -0.325 38.845 39.000 0.282 0.000 1.129 42 F HN -0.231 nan 8.300 nan 0.000 0.620 43 G N -0.737 108.201 108.800 0.230 0.000 3.214 43 G HA2 0.191 4.155 3.960 0.007 0.000 0.188 43 G HA3 0.191 4.155 3.960 0.007 0.000 0.188 43 G C -1.185 173.747 174.900 0.054 0.000 1.126 43 G CA -0.707 44.438 45.100 0.075 0.000 0.796 43 G HN -0.071 nan 8.290 nan 0.000 0.631 44 N N 0.570 119.288 118.700 0.030 0.000 2.525 44 N HA 0.421 5.165 4.740 0.007 0.000 0.271 44 N C 1.014 176.519 175.510 -0.008 0.000 1.194 44 N CA 0.386 53.438 53.050 0.004 0.000 0.964 44 N CB 1.775 40.251 38.487 -0.018 0.000 1.126 44 N HN 0.515 nan 8.380 nan 0.000 0.452 45 A N 1.783 124.599 122.820 -0.007 0.000 2.030 45 A HA -0.054 4.270 4.320 0.007 0.000 0.215 45 A C 0.964 178.437 177.584 -0.184 0.000 1.164 45 A CA 0.442 52.472 52.037 -0.012 0.000 0.697 45 A CB -0.182 18.877 19.000 0.097 0.000 0.827 45 A HN 0.749 nan 8.150 nan 0.000 0.457 46 Q N 0.516 120.106 119.800 -0.351 0.000 2.311 46 Q HA 0.408 4.752 4.340 0.007 0.000 0.272 46 Q C -1.237 174.484 176.000 -0.464 0.000 1.012 46 Q CA 0.037 55.335 55.803 -0.842 0.000 0.891 46 Q CB 0.343 28.656 28.738 -0.707 0.000 1.201 46 Q HN 0.504 nan 8.270 nan 0.000 0.391 47 L N 3.847 124.785 121.223 -0.475 0.000 2.317 47 L HA 0.625 4.970 4.340 0.007 0.000 0.281 47 L C 0.608 177.354 176.870 -0.206 0.000 1.024 47 L CA -0.168 54.526 54.840 -0.244 0.000 0.810 47 L CB 1.576 43.531 42.059 -0.172 0.000 1.240 47 L HN 1.039 nan 8.230 nan 0.000 0.427 48 G N 3.334 112.059 108.800 -0.124 0.000 2.877 48 G HA2 -0.177 3.787 3.960 0.007 0.000 0.279 48 G HA3 -0.177 3.787 3.960 0.007 0.000 0.279 48 G C -2.801 172.047 174.900 -0.087 0.000 1.431 48 G CA -0.848 44.202 45.100 -0.083 0.000 0.883 48 G HN 0.474 nan 8.290 nan 0.000 0.547 49 P HA 0.576 nan 4.420 nan 0.000 0.276 49 P C -0.267 177.027 177.300 -0.009 0.000 1.261 49 P CA -0.377 62.709 63.100 -0.024 0.000 0.800 49 P CB 1.332 33.026 31.700 -0.009 0.000 1.066 50 I N 0.301 120.873 120.570 0.004 0.000 2.608 50 I HA 0.352 4.526 4.170 0.007 0.000 0.295 50 I C -1.171 174.977 176.117 0.052 0.000 1.049 50 I CA -1.463 59.855 61.300 0.030 0.000 1.063 50 I CB 1.993 40.010 38.000 0.029 0.000 1.248 50 I HN 0.252 nan 8.210 nan 0.000 0.424 51 Y N 7.779 128.043 120.300 -0.060 0.000 2.316 51 Y HA 0.555 5.109 4.550 0.007 0.000 0.331 51 Y C -0.986 174.876 175.900 -0.063 0.000 1.083 51 Y CA -0.499 57.561 58.100 -0.068 0.000 1.206 51 Y CB 1.048 39.450 38.460 -0.096 0.000 1.195 51 Y HN 0.430 nan 8.280 nan 0.000 0.497 52 L N 5.317 126.328 121.223 -0.355 0.000 2.490 52 L HA 0.707 5.052 4.340 0.007 0.000 0.256 52 L C -0.069 176.628 176.870 -0.288 0.000 1.089 52 L CA -0.605 54.123 54.840 -0.187 0.000 0.916 52 L CB 0.610 42.618 42.059 -0.085 0.000 1.188 52 L HN 0.641 nan 8.230 nan 0.000 0.476 53 G N 0.532 109.210 108.800 -0.204 0.000 2.509 53 G HA2 0.424 4.388 3.960 0.007 0.000 0.269 53 G HA3 0.424 4.388 3.960 0.007 0.000 0.269 53 G C 0.457 175.347 174.900 -0.017 0.000 1.416 53 G CA 0.019 45.051 45.100 -0.114 0.000 1.052 53 G HN 0.438 nan 8.290 nan 0.000 0.542 54 S N -0.786 114.921 115.700 0.012 0.000 2.368 54 S HA -0.094 4.381 4.470 0.007 0.000 0.225 54 S C 2.432 177.068 174.600 0.059 0.000 1.030 54 S CA 0.742 58.959 58.200 0.028 0.000 0.999 54 S CB -0.399 62.818 63.200 0.029 0.000 0.844 54 S HN 0.363 nan 8.310 nan 0.000 0.459 55 L N 0.934 122.197 121.223 0.066 0.000 2.012 55 L HA -0.137 4.207 4.340 0.007 0.000 0.210 55 L C 2.693 179.621 176.870 0.097 0.000 1.073 55 L CA 1.393 56.279 54.840 0.078 0.000 0.748 55 L CB -1.036 41.049 42.059 0.043 0.000 0.891 55 L HN 0.457 nan 8.230 nan 0.000 0.431 56 G N -0.947 107.898 108.800 0.075 0.000 2.418 56 G HA2 -0.202 3.762 3.960 0.007 0.000 0.217 56 G HA3 -0.202 3.762 3.960 0.007 0.000 0.217 56 G C 1.532 176.529 174.900 0.161 0.000 1.158 56 G CA 0.943 46.110 45.100 0.112 0.000 0.771 56 G HN 0.243 nan 8.290 nan 0.000 0.545 57 V N 0.857 120.835 119.914 0.107 0.000 2.307 57 V HA -0.110 4.014 4.120 0.007 0.000 0.245 57 V C 2.626 178.821 176.094 0.168 0.000 1.045 57 V CA 1.525 63.891 62.300 0.110 0.000 1.024 57 V CB -0.610 31.242 31.823 0.048 0.000 0.651 57 V HN 0.356 nan 8.190 nan 0.000 0.449 58 L N 0.646 121.965 121.223 0.158 0.000 1.956 58 L HA -0.195 4.149 4.340 0.007 0.000 0.216 58 L C 2.672 179.693 176.870 0.252 0.000 1.073 58 L CA 2.644 57.612 54.840 0.213 0.000 0.762 58 L CB -1.195 40.968 42.059 0.172 0.000 0.889 58 L HN 0.347 nan 8.230 nan 0.000 0.433 59 S N -0.842 114.992 115.700 0.223 0.000 2.359 59 S HA -0.210 4.264 4.470 0.007 0.000 0.223 59 S C 2.074 176.768 174.600 0.158 0.000 1.039 59 S CA 1.729 60.062 58.200 0.222 0.000 1.042 59 S CB -0.641 62.785 63.200 0.375 0.000 0.915 59 S HN 0.468 nan 8.310 nan 0.000 0.439 60 L N 0.220 121.557 121.223 0.190 0.000 2.187 60 L HA -0.032 4.312 4.340 0.007 0.000 0.213 60 L C 2.079 179.010 176.870 0.103 0.000 1.100 60 L CA 1.730 56.636 54.840 0.109 0.000 0.765 60 L CB -1.153 40.990 42.059 0.140 0.000 0.904 60 L HN 0.508 nan 8.230 nan 0.000 0.437 61 F N 0.128 120.087 119.950 0.015 0.000 2.118 61 F HA -0.120 4.412 4.527 0.008 0.000 0.293 61 F C 2.575 178.330 175.800 -0.075 0.000 1.102 61 F CA 1.487 59.482 58.000 -0.009 0.000 1.247 61 F CB -0.387 38.628 39.000 0.026 0.000 1.017 61 F HN -0.013 nan 8.300 nan 0.000 0.475 62 S N 0.600 116.200 115.700 -0.167 0.000 2.359 62 S HA -0.155 4.319 4.470 0.007 0.000 0.224 62 S C 2.382 176.827 174.600 -0.259 0.000 1.035 62 S CA 1.327 59.374 58.200 -0.256 0.000 1.018 62 S CB -1.489 61.742 63.200 0.052 0.000 0.876 62 S HN 0.610 nan 8.310 nan 0.000 0.448 63 G N 1.972 110.683 108.800 -0.148 0.000 2.529 63 G HA2 -0.214 3.751 3.960 0.007 0.000 0.219 63 G HA3 -0.214 3.751 3.960 0.007 0.000 0.219 63 G C 1.352 176.171 174.900 -0.136 0.000 1.177 63 G CA 0.996 46.030 45.100 -0.110 0.000 0.773 63 G HN 0.440 nan 8.290 nan 0.000 0.573 64 L N -0.294 120.752 121.223 -0.295 0.000 2.046 64 L HA -0.068 4.276 4.340 0.007 0.000 0.208 64 L C 3.128 179.657 176.870 -0.569 0.000 1.077 64 L CA 0.688 55.231 54.840 -0.495 0.000 0.747 64 L CB -0.326 41.552 42.059 -0.301 0.000 0.896 64 L HN 0.160 nan 8.230 nan 0.000 0.432 65 M N -1.135 118.104 119.600 -0.603 0.000 2.086 65 M HA -0.247 4.237 4.480 0.007 0.000 0.261 65 M C 2.111 178.164 176.300 -0.411 0.000 1.067 65 M CA 1.740 56.582 55.300 -0.764 0.000 1.116 65 M CB -1.317 30.088 32.600 -1.992 0.000 1.348 65 M HN 0.447 nan 8.290 nan 0.000 0.407 66 W N 0.738 121.792 121.300 -0.411 0.000 2.317 66 W HA -0.299 4.364 4.660 0.006 0.000 0.318 66 W C 2.225 178.633 176.519 -0.184 0.000 1.227 66 W CA 1.754 59.015 57.345 -0.140 0.000 1.269 66 W CB -1.148 28.215 29.460 -0.161 0.000 1.155 66 W HN 0.190 nan 8.180 nan 0.000 0.484 67 F N -0.067 119.491 119.950 -0.654 0.000 2.161 67 F HA -0.175 4.356 4.527 0.007 0.000 0.300 67 F C 1.949 177.377 175.800 -0.620 0.000 1.089 67 F CA 1.945 59.380 58.000 -0.940 0.000 1.282 67 F CB -0.767 37.759 39.000 -0.790 0.000 1.010 67 F HN -0.158 nan 8.300 nan 0.000 0.485 68 F N -0.460 119.362 119.950 -0.215 0.000 2.416 68 F HA -0.034 4.498 4.527 0.007 0.000 0.296 68 F C 2.505 178.212 175.800 -0.155 0.000 1.099 68 F CA 1.205 59.100 58.000 -0.174 0.000 1.427 68 F CB -1.599 37.362 39.000 -0.064 0.000 1.079 68 F HN -0.192 nan 8.300 nan 0.000 0.536 69 T N 0.871 115.438 114.554 0.021 0.000 2.746 69 T HA -0.144 4.210 4.350 0.007 0.000 0.267 69 T C 2.222 176.918 174.700 -0.006 0.000 1.039 69 T CA 1.462 63.606 62.100 0.073 0.000 1.142 69 T CB -0.404 68.543 68.868 0.132 0.000 0.866 69 T HN 0.156 nan 8.240 nan 0.000 0.444 70 I N 1.049 121.452 120.570 -0.279 0.000 2.202 70 I HA -0.059 4.115 4.170 0.007 0.000 0.242 70 I C 2.944 178.788 176.117 -0.455 0.000 1.091 70 I CA 1.244 62.311 61.300 -0.388 0.000 1.368 70 I CB -0.838 36.669 38.000 -0.822 0.000 1.058 70 I HN 0.289 nan 8.210 nan 0.000 0.410 71 G N 1.217 109.721 108.800 -0.492 0.000 2.440 71 G HA2 -0.291 3.673 3.960 0.007 0.000 0.218 71 G HA3 -0.291 3.673 3.960 0.007 0.000 0.218 71 G C 1.674 176.667 174.900 0.156 0.000 1.154 71 G CA 0.862 45.816 45.100 -0.242 0.000 0.767 71 G HN 0.288 nan 8.290 nan 0.000 0.552 72 I N -0.287 120.411 120.570 0.212 0.000 2.226 72 I HA -0.075 4.100 4.170 0.007 0.000 0.245 72 I C 2.339 178.618 176.117 0.269 0.000 1.100 72 I CA 0.887 62.366 61.300 0.299 0.000 1.374 72 I CB -0.338 37.831 38.000 0.280 0.000 1.057 72 I HN 0.483 nan 8.210 nan 0.000 0.413 73 W N 0.118 121.494 121.300 0.126 0.000 2.358 73 W HA -0.304 4.360 4.660 0.005 0.000 0.303 73 W C 2.060 178.672 176.519 0.155 0.000 1.208 73 W CA 1.193 58.632 57.345 0.157 0.000 1.274 73 W CB -0.402 29.181 29.460 0.205 0.000 1.138 73 W HN 0.123 nan 8.180 nan 0.000 0.515 74 F N -0.374 119.373 119.950 -0.337 0.000 2.102 74 F HA -0.141 4.391 4.527 0.007 0.000 0.298 74 F C 2.144 177.357 175.800 -0.978 0.000 1.105 74 F CA 1.333 58.807 58.000 -0.876 0.000 1.239 74 F CB -1.695 36.936 39.000 -0.616 0.000 0.991 74 F HN -0.102 nan 8.300 nan 0.000 0.474 75 W N -1.272 119.831 121.300 -0.329 0.000 2.338 75 W HA -0.259 4.407 4.660 0.010 0.000 0.304 75 W C 2.619 178.414 176.519 -1.207 0.000 1.212 75 W CA 1.744 58.727 57.345 -0.602 0.000 1.264 75 W CB -1.088 28.042 29.460 -0.550 0.000 1.142 75 W HN 0.071 nan 8.180 nan 0.000 0.512 76 Y N 1.885 121.539 120.300 -1.077 0.000 2.030 76 Y HA -0.386 4.168 4.550 0.006 0.000 0.274 76 Y C 2.550 177.937 175.900 -0.856 0.000 1.153 76 Y CA 2.644 60.079 58.100 -1.109 0.000 1.115 76 Y CB -0.911 37.194 38.460 -0.593 0.000 0.969 76 Y HN 0.144 nan 8.280 nan 0.000 0.488 77 Q N -0.312 119.012 119.800 -0.793 0.000 2.515 77 Q HA 0.095 4.439 4.340 0.007 0.000 0.214 77 Q C 1.358 177.113 176.000 -0.409 0.000 0.971 77 Q CA 0.666 56.095 55.803 -0.624 0.000 0.952 77 Q CB -0.171 28.236 28.738 -0.551 0.000 0.999 77 Q HN 0.479 nan 8.270 nan 0.000 0.524 78 A N 0.797 123.304 122.820 -0.523 0.000 2.348 78 A HA 0.479 4.803 4.320 0.007 0.000 0.224 78 A C 1.457 178.942 177.584 -0.165 0.000 1.227 78 A CA 0.267 52.188 52.037 -0.193 0.000 0.885 78 A CB -0.012 18.880 19.000 -0.180 0.000 0.933 78 A HN 0.591 nan 8.150 nan 0.000 0.506 79 G N -1.807 106.776 108.800 -0.362 0.000 2.221 79 G HA2 -0.297 3.667 3.960 0.007 0.000 0.265 79 G HA3 -0.297 3.667 3.960 0.007 0.000 0.265 79 G C 0.267 175.212 174.900 0.075 0.000 1.041 79 G CA 0.174 45.169 45.100 -0.175 0.000 0.807 79 G HN 1.078 nan 8.290 nan 0.000 0.502 80 W N -2.016 119.352 121.300 0.113 0.000 4.310 80 W HA -0.213 4.453 4.660 0.009 0.000 0.320 80 W C 0.687 177.355 176.519 0.248 0.000 1.168 80 W CA 0.429 57.904 57.345 0.217 0.000 0.757 80 W CB -1.932 27.544 29.460 0.026 0.000 2.221 80 W HN 0.587 nan 8.180 nan 0.000 1.517 81 N N 0.895 119.800 118.700 0.341 0.000 2.420 81 N HA 0.157 4.902 4.740 0.007 0.000 0.249 81 N C -1.172 174.543 175.510 0.341 0.000 1.033 81 N CA -1.599 51.615 53.050 0.273 0.000 0.944 81 N CB 1.437 40.017 38.487 0.155 0.000 1.113 81 N HN -0.217 nan 8.380 nan 0.000 0.502 82 P HA -0.111 nan 4.420 nan 0.000 0.216 82 P C 0.854 178.300 177.300 0.244 0.000 1.153 82 P CA 1.361 64.696 63.100 0.391 0.000 0.858 82 P CB 0.280 32.169 31.700 0.316 0.000 0.789 83 A N -0.856 122.065 122.820 0.168 0.000 1.933 83 A HA -0.150 4.175 4.320 0.007 0.000 0.218 83 A C 2.265 179.894 177.584 0.075 0.000 1.175 83 A CA 1.803 53.902 52.037 0.103 0.000 0.628 83 A CB -1.612 17.430 19.000 0.069 0.000 0.814 83 A HN 0.048 nan 8.150 nan 0.000 0.444 84 V N -1.392 118.578 119.914 0.093 0.000 2.346 84 V HA -0.163 3.961 4.120 0.007 0.000 0.244 84 V C 2.195 178.347 176.094 0.097 0.000 1.037 84 V CA 1.702 64.037 62.300 0.058 0.000 1.029 84 V CB -1.108 30.757 31.823 0.070 0.000 0.663 84 V HN 0.595 nan 8.190 nan 0.000 0.454 85 F N 0.878 120.797 119.950 -0.051 0.000 2.063 85 F HA -0.291 4.242 4.527 0.010 0.000 0.298 85 F C 2.089 177.867 175.800 -0.037 0.000 1.105 85 F CA 2.028 59.931 58.000 -0.161 0.000 1.215 85 F CB -0.362 38.171 39.000 -0.778 0.000 0.972 85 F HN 0.015 nan 8.300 nan 0.000 0.483 86 L N -0.300 120.933 121.223 0.018 0.000 2.093 86 L HA -0.182 4.162 4.340 0.007 0.000 0.208 86 L C 2.720 179.493 176.870 -0.162 0.000 1.085 86 L CA 1.523 56.314 54.840 -0.081 0.000 0.755 86 L CB -0.725 41.362 42.059 0.048 0.000 0.904 86 L HN 0.176 nan 8.230 nan 0.000 0.435 87 R N 0.375 120.798 120.500 -0.129 0.000 2.081 87 R HA -0.152 4.192 4.340 0.007 0.000 0.235 87 R C 0.632 176.771 176.300 -0.270 0.000 1.131 87 R CA 1.759 57.753 56.100 -0.176 0.000 0.960 87 R CB 0.073 30.281 30.300 -0.152 0.000 0.856 87 R HN 0.285 nan 8.270 nan 0.000 0.436 88 D N 0.421 120.591 120.400 -0.383 0.000 2.388 88 D HA 0.037 4.681 4.640 0.007 0.000 0.221 88 D C 1.320 177.134 176.300 -0.810 0.000 1.133 88 D CA -0.113 53.498 54.000 -0.648 0.000 0.831 88 D CB 0.350 40.511 40.800 -1.066 0.000 0.962 88 D HN 0.206 nan 8.370 nan 0.000 0.502 89 L N -0.104 120.874 121.223 -0.408 0.000 2.051 89 L HA -0.235 4.109 4.340 0.007 0.000 0.214 89 L C 1.537 178.428 176.870 0.035 0.000 1.076 89 L CA 1.271 56.005 54.840 -0.177 0.000 0.758 89 L CB -0.105 41.823 42.059 -0.219 0.000 0.890 89 L HN 0.065 nan 8.230 nan 0.000 0.433 90 F N -1.311 118.369 119.950 -0.450 0.000 2.456 90 F HA -0.069 4.461 4.527 0.004 0.000 0.298 90 F C 1.999 177.246 175.800 -0.921 0.000 1.104 90 F CA 0.465 57.952 58.000 -0.855 0.000 1.435 90 F CB -0.842 37.190 39.000 -1.615 0.000 1.078 90 F HN 0.017 nan 8.300 nan 0.000 0.546 91 F N -1.699 117.961 119.950 -0.483 0.000 2.664 91 F HA 0.099 4.629 4.527 0.006 0.000 0.296 91 F C 1.019 176.595 175.800 -0.373 0.000 1.125 91 F CA -0.476 57.316 58.000 -0.346 0.000 1.444 91 F CB -1.057 37.722 39.000 -0.368 0.000 1.114 91 F HN -0.304 nan 8.300 nan 0.000 0.576 92 F N -0.025 119.732 119.950 -0.322 0.000 2.444 92 F HA 0.326 4.859 4.527 0.010 0.000 0.331 92 F C 0.836 176.343 175.800 -0.489 0.000 1.167 92 F CA -0.052 57.517 58.000 -0.718 0.000 1.262 92 F CB 0.603 38.482 39.000 -1.870 0.000 1.196 92 F HN -0.303 nan 8.300 nan 0.000 0.583 93 S N 2.477 118.226 115.700 0.083 0.000 2.563 93 S HA 0.312 4.787 4.470 0.007 0.000 0.279 93 S C -1.479 173.474 174.600 0.589 0.000 1.155 93 S CA -0.865 57.570 58.200 0.391 0.000 0.928 93 S CB 0.967 64.340 63.200 0.288 0.000 1.107 93 S HN 0.654 nan 8.310 nan 0.000 0.462 94 L N 4.626 126.203 121.223 0.589 0.000 2.302 94 L HA 0.483 4.827 4.340 0.007 0.000 0.285 94 L C -0.118 176.898 176.870 0.244 0.000 1.090 94 L CA -0.357 54.671 54.840 0.313 0.000 0.866 94 L CB 0.297 42.627 42.059 0.452 0.000 1.244 94 L HN 0.709 nan 8.230 nan 0.000 0.435 95 E N 5.941 126.164 120.200 0.039 0.000 2.349 95 E HA 0.367 4.722 4.350 0.007 0.000 0.265 95 E C -2.317 174.065 176.600 -0.364 0.000 1.064 95 E CA -1.723 54.614 56.400 -0.105 0.000 0.886 95 E CB 0.813 30.484 29.700 -0.048 0.000 1.036 95 E HN 0.402 nan 8.360 nan 0.000 0.413 96 P HA 0.313 nan 4.420 nan 0.000 0.281 96 P C -2.624 174.377 177.300 -0.498 0.000 1.264 96 P CA -1.934 60.444 63.100 -1.203 0.000 0.824 96 P CB -0.084 30.600 31.700 -1.694 0.000 1.092 97 P HA 0.053 nan 4.420 nan 0.000 0.265 97 P C -0.018 177.270 177.300 -0.020 0.000 1.193 97 P CA 0.453 63.452 63.100 -0.169 0.000 0.765 97 P CB -0.012 31.621 31.700 -0.112 0.000 0.823 98 A N 6.365 129.252 122.820 0.113 0.000 2.492 98 A HA 0.114 4.439 4.320 0.007 0.000 0.236 98 A C -1.083 176.596 177.584 0.158 0.000 1.078 98 A CA -0.541 51.584 52.037 0.146 0.000 0.773 98 A CB -1.123 17.995 19.000 0.197 0.000 1.023 98 A HN 0.453 nan 8.150 nan 0.000 0.504 99 P HA -0.226 nan 4.420 nan 0.000 0.217 99 P C 0.896 178.188 177.300 -0.014 0.000 1.162 99 P CA 1.987 65.090 63.100 0.005 0.000 0.901 99 P CB -0.020 31.666 31.700 -0.024 0.000 0.793 100 E N -1.666 118.496 120.200 -0.063 0.000 2.236 100 E HA -0.235 4.120 4.350 0.007 0.000 0.205 100 E C 1.575 178.029 176.600 -0.244 0.000 1.028 100 E CA 1.438 57.721 56.400 -0.194 0.000 0.827 100 E CB -1.267 28.238 29.700 -0.325 0.000 0.735 100 E HN 0.524 nan 8.360 nan 0.000 0.470 101 Y N -0.105 120.176 120.300 -0.032 0.000 2.529 101 Y HA 0.150 4.704 4.550 0.006 0.000 0.290 101 Y C 1.868 177.731 175.900 -0.062 0.000 1.177 101 Y CA 0.254 58.341 58.100 -0.022 0.000 1.305 101 Y CB -0.246 38.222 38.460 0.013 0.000 1.047 101 Y HN 0.139 nan 8.280 nan 0.000 0.522 102 G N 1.116 109.917 108.800 0.002 0.000 2.651 102 G HA2 -0.358 3.607 3.960 0.007 0.000 0.315 102 G HA3 -0.358 3.607 3.960 0.007 0.000 0.315 102 G C 0.512 175.236 174.900 -0.294 0.000 1.258 102 G CA 0.747 45.767 45.100 -0.133 0.000 1.002 102 G HN 0.296 nan 8.290 nan 0.000 0.551 103 L N 1.932 122.913 121.223 -0.403 0.000 2.872 103 L HA 0.386 4.731 4.340 0.007 0.000 0.245 103 L C 1.560 178.279 176.870 -0.252 0.000 1.211 103 L CA 0.413 54.788 54.840 -0.776 0.000 1.013 103 L CB 0.110 41.695 42.059 -0.789 0.000 1.326 103 L HN 0.660 nan 8.230 nan 0.000 0.525 104 S N -1.088 114.571 115.700 -0.068 0.000 2.686 104 S HA 0.382 4.857 4.470 0.007 0.000 0.270 104 S C 0.231 174.770 174.600 -0.102 0.000 1.194 104 S CA -0.356 57.854 58.200 0.017 0.000 0.990 104 S CB 0.703 63.995 63.200 0.154 0.000 1.029 104 S HN 0.131 nan 8.310 nan 0.000 0.560 105 F N -0.509 119.556 119.950 0.191 0.000 2.654 105 F HA 0.487 5.019 4.527 0.008 0.000 0.303 105 F C 2.092 177.927 175.800 0.059 0.000 1.099 105 F CA -0.324 57.740 58.000 0.106 0.000 1.270 105 F CB -0.652 38.377 39.000 0.049 0.000 1.024 105 F HN 0.709 nan 8.300 nan 0.000 0.548 106 A N 0.796 123.767 122.820 0.252 0.000 2.024 106 A HA 0.159 4.483 4.320 0.007 0.000 0.220 106 A C 1.781 179.433 177.584 0.114 0.000 1.164 106 A CA 0.838 53.007 52.037 0.220 0.000 0.643 106 A CB -0.944 18.233 19.000 0.294 0.000 0.806 106 A HN 0.236 nan 8.150 nan 0.000 0.451 107 A N 1.116 123.824 122.820 -0.187 0.000 2.561 107 A HA 0.414 4.738 4.320 0.007 0.000 0.234 107 A C -1.878 175.558 177.584 -0.247 0.000 1.055 107 A CA -0.575 51.036 52.037 -0.710 0.000 0.756 107 A CB -0.355 18.017 19.000 -1.046 0.000 0.986 107 A HN 0.385 nan 8.150 nan 0.000 0.505 108 P HA 0.151 nan 4.420 nan 0.000 0.276 108 P C 0.755 178.006 177.300 -0.081 0.000 1.230 108 P CA -0.458 62.610 63.100 -0.054 0.000 0.776 108 P CB 0.810 32.515 31.700 0.008 0.000 0.888 109 L N 3.452 124.649 121.223 -0.044 0.000 2.011 109 L HA -0.265 4.080 4.340 0.007 0.000 0.225 109 L C 2.323 179.119 176.870 -0.123 0.000 1.084 109 L CA 2.357 57.163 54.840 -0.057 0.000 0.791 109 L CB -1.172 40.880 42.059 -0.012 0.000 0.898 109 L HN 0.459 nan 8.230 nan 0.000 0.440 110 K N -0.370 119.978 120.400 -0.087 0.000 2.574 110 K HA -0.085 4.240 4.320 0.007 0.000 0.193 110 K C 0.211 176.699 176.600 -0.188 0.000 1.035 110 K CA 0.803 57.014 56.287 -0.127 0.000 0.982 110 K CB -0.138 32.403 32.500 0.069 0.000 0.795 110 K HN 0.501 nan 8.250 nan 0.000 0.491 111 E N -0.726 119.377 120.200 -0.162 0.000 3.729 111 E HA 0.164 4.519 4.350 0.007 0.000 0.195 111 E C 0.377 176.850 176.600 -0.211 0.000 1.005 111 E CA -0.180 56.133 56.400 -0.145 0.000 1.356 111 E CB 1.376 31.050 29.700 -0.044 0.000 1.138 111 E HN 0.314 nan 8.360 nan 0.000 0.450 112 G N 0.192 108.861 108.800 -0.218 0.000 3.514 112 G HA2 -0.214 3.750 3.960 0.007 0.000 0.197 112 G HA3 -0.214 3.750 3.960 0.007 0.000 0.197 112 G C 1.134 175.998 174.900 -0.060 0.000 1.098 112 G CA -0.122 44.873 45.100 -0.176 0.000 0.884 112 G HN 0.364 nan 8.290 nan 0.000 0.433 113 G N 0.959 109.703 108.800 -0.093 0.000 2.418 113 G HA2 0.064 4.028 3.960 0.007 0.000 0.217 113 G HA3 0.064 4.028 3.960 0.007 0.000 0.217 113 G C 1.761 176.665 174.900 0.008 0.000 1.158 113 G CA 1.574 46.660 45.100 -0.023 0.000 0.771 113 G HN 0.663 nan 8.290 nan 0.000 0.545 114 L N -0.644 120.557 121.223 -0.036 0.000 2.131 114 L HA 0.062 4.406 4.340 0.007 0.000 0.210 114 L C 2.328 179.235 176.870 0.061 0.000 1.092 114 L CA 1.280 56.110 54.840 -0.017 0.000 0.759 114 L CB -0.507 41.480 42.059 -0.119 0.000 0.903 114 L HN 0.529 nan 8.230 nan 0.000 0.435 115 W N -0.565 120.678 121.300 -0.094 0.000 2.407 115 W HA -0.163 4.501 4.660 0.007 0.000 0.305 115 W C 2.180 178.739 176.519 0.066 0.000 1.196 115 W CA 1.380 58.743 57.345 0.030 0.000 1.311 115 W CB -0.159 29.258 29.460 -0.072 0.000 1.135 115 W HN 0.045 nan 8.180 nan 0.000 0.514 116 L N 0.330 121.662 121.223 0.182 0.000 2.131 116 L HA -0.238 4.106 4.340 0.007 0.000 0.210 116 L C 2.375 179.175 176.870 -0.116 0.000 1.092 116 L CA 1.298 56.104 54.840 -0.057 0.000 0.759 116 L CB -0.657 41.410 42.059 0.012 0.000 0.903 116 L HN 0.070 nan 8.230 nan 0.000 0.435 117 I N -0.572 119.960 120.570 -0.063 0.000 2.163 117 I HA -0.255 3.920 4.170 0.007 0.000 0.240 117 I C 2.780 178.838 176.117 -0.098 0.000 1.081 117 I CA 1.100 62.326 61.300 -0.124 0.000 1.353 117 I CB -0.448 37.513 38.000 -0.066 0.000 1.054 117 I HN 0.184 nan 8.210 nan 0.000 0.407 118 A N 0.136 122.973 122.820 0.027 0.000 1.908 118 A HA -0.219 4.106 4.320 0.007 0.000 0.218 118 A C 2.475 180.146 177.584 0.144 0.000 1.181 118 A CA 2.322 54.455 52.037 0.160 0.000 0.627 118 A CB -0.756 18.245 19.000 0.002 0.000 0.818 118 A HN 0.395 nan 8.150 nan 0.000 0.445 119 S N -1.285 114.332 115.700 -0.139 0.000 2.368 119 S HA -0.124 4.351 4.470 0.007 0.000 0.225 119 S C 1.654 176.229 174.600 -0.043 0.000 1.030 119 S CA 1.407 59.478 58.200 -0.215 0.000 0.999 119 S CB -0.507 62.284 63.200 -0.682 0.000 0.844 119 S HN 0.643 nan 8.310 nan 0.000 0.459 120 F N 1.704 121.542 119.950 -0.186 0.000 2.126 120 F HA -0.119 4.412 4.527 0.007 0.000 0.299 120 F C 1.666 177.485 175.800 0.032 0.000 1.096 120 F CA 1.184 59.105 58.000 -0.132 0.000 1.255 120 F CB -0.421 38.414 39.000 -0.274 0.000 0.997 120 F HN 0.109 nan 8.300 nan 0.000 0.479 121 F N -0.066 119.904 119.950 0.033 0.000 2.134 121 F HA -0.208 4.322 4.527 0.007 0.000 0.299 121 F C 2.630 178.354 175.800 -0.126 0.000 1.097 121 F CA 1.634 59.605 58.000 -0.047 0.000 1.264 121 F CB -1.107 37.937 39.000 0.072 0.000 1.001 121 F HN 0.063 nan 8.300 nan 0.000 0.479 122 M N -1.420 118.189 119.600 0.014 0.000 2.132 122 M HA -0.219 4.265 4.480 0.007 0.000 0.263 122 M C 2.296 178.586 176.300 -0.018 0.000 1.065 122 M CA 1.599 56.712 55.300 -0.312 0.000 1.122 122 M CB -0.436 31.742 32.600 -0.704 0.000 1.365 122 M HN 0.148 nan 8.290 nan 0.000 0.411 123 F N 0.396 120.344 119.950 -0.003 0.000 2.065 123 F HA -0.267 4.264 4.527 0.007 0.000 0.298 123 F C 1.933 177.806 175.800 0.122 0.000 1.112 123 F CA 2.156 60.260 58.000 0.173 0.000 1.212 123 F CB -0.597 38.369 39.000 -0.056 0.000 0.975 123 F HN -0.082 nan 8.300 nan 0.000 0.476 124 V N 0.528 120.502 119.914 0.099 0.000 2.255 124 V HA -0.358 3.766 4.120 0.007 0.000 0.247 124 V C 2.722 178.846 176.094 0.050 0.000 1.051 124 V CA 1.961 64.288 62.300 0.046 0.000 1.018 124 V CB -1.700 30.075 31.823 -0.080 0.000 0.641 124 V HN 0.513 nan 8.190 nan 0.000 0.445 125 A N -0.276 122.536 122.820 -0.013 0.000 1.892 125 A HA -0.204 4.120 4.320 0.007 0.000 0.218 125 A C 2.396 179.919 177.584 -0.101 0.000 1.188 125 A CA 2.475 54.479 52.037 -0.055 0.000 0.631 125 A CB -0.796 18.107 19.000 -0.162 0.000 0.822 125 A HN 0.355 nan 8.150 nan 0.000 0.447 126 V N -2.551 117.183 119.914 -0.300 0.000 2.307 126 V HA -0.259 3.865 4.120 0.007 0.000 0.245 126 V C 2.261 178.170 176.094 -0.308 0.000 1.045 126 V CA 1.783 63.780 62.300 -0.504 0.000 1.024 126 V CB -1.030 30.002 31.823 -1.319 0.000 0.651 126 V HN 0.794 nan 8.190 nan 0.000 0.449 127 W N 0.857 122.026 121.300 -0.219 0.000 2.388 127 W HA -0.158 4.507 4.660 0.008 0.000 0.294 127 W C 2.932 179.520 176.519 0.115 0.000 1.212 127 W CA 1.492 58.773 57.345 -0.106 0.000 1.271 127 W CB -0.464 28.821 29.460 -0.291 0.000 1.126 127 W HN 0.354 nan 8.180 nan 0.000 0.535 128 S N -1.039 114.845 115.700 0.307 0.000 2.402 128 S HA -0.239 4.235 4.470 0.007 0.000 0.229 128 S C 1.660 176.423 174.600 0.272 0.000 1.021 128 S CA 0.875 59.235 58.200 0.267 0.000 0.974 128 S CB -1.213 62.115 63.200 0.213 0.000 0.800 128 S HN 0.491 nan 8.310 nan 0.000 0.484 129 W N 0.760 122.123 121.300 0.105 0.000 2.425 129 W HA -0.037 4.628 4.660 0.008 0.000 0.277 129 W C 1.799 178.438 176.519 0.201 0.000 1.231 129 W CA 0.704 58.104 57.345 0.092 0.000 1.248 129 W CB -0.364 29.114 29.460 0.031 0.000 1.117 129 W HN 0.511 nan 8.180 nan 0.000 0.568 130 W N 1.508 122.975 121.300 0.279 0.000 2.358 130 W HA -0.069 4.595 4.660 0.007 0.000 0.303 130 W C 2.423 179.009 176.519 0.112 0.000 1.208 130 W CA 3.187 60.670 57.345 0.231 0.000 1.274 130 W CB -0.834 28.618 29.460 -0.014 0.000 1.138 130 W HN -0.134 nan 8.180 nan 0.000 0.515 131 G N 0.299 109.173 108.800 0.123 0.000 2.402 131 G HA2 -0.303 3.662 3.960 0.007 0.000 0.216 131 G HA3 -0.303 3.662 3.960 0.007 0.000 0.216 131 G C 1.605 176.361 174.900 -0.241 0.000 1.162 131 G CA 1.007 46.041 45.100 -0.110 0.000 0.777 131 G HN 0.309 nan 8.290 nan 0.000 0.539 132 R N -0.218 120.132 120.500 -0.250 0.000 2.103 132 R HA -0.118 4.226 4.340 0.007 0.000 0.242 132 R C 2.559 178.562 176.300 -0.495 0.000 1.142 132 R CA 2.048 57.905 56.100 -0.405 0.000 0.960 132 R CB -0.649 29.263 30.300 -0.647 0.000 0.858 132 R HN 0.305 nan 8.270 nan 0.000 0.439 133 T N -0.211 114.019 114.554 -0.540 0.000 2.720 133 T HA -0.206 4.149 4.350 0.007 0.000 0.268 133 T C 1.324 175.719 174.700 -0.508 0.000 1.037 133 T CA 1.650 63.449 62.100 -0.502 0.000 1.144 133 T CB -0.380 68.256 68.868 -0.387 0.000 0.864 133 T HN 0.416 nan 8.240 nan 0.000 0.444 134 Y N 1.152 121.018 120.300 -0.723 0.000 2.184 134 Y HA 0.007 4.561 4.550 0.007 0.000 0.290 134 Y C 2.025 177.638 175.900 -0.478 0.000 1.129 134 Y CA 1.134 58.812 58.100 -0.703 0.000 1.144 134 Y CB -0.209 37.719 38.460 -0.886 0.000 0.995 134 Y HN 0.106 nan 8.280 nan 0.000 0.513 135 L N -0.444 120.678 121.223 -0.169 0.000 2.056 135 L HA -0.201 4.143 4.340 0.007 0.000 0.207 135 L C 2.518 179.204 176.870 -0.307 0.000 1.078 135 L CA 0.890 55.629 54.840 -0.169 0.000 0.749 135 L CB -0.537 41.435 42.059 -0.145 0.000 0.901 135 L HN 0.078 nan 8.230 nan 0.000 0.433 136 R N 0.425 120.694 120.500 -0.386 0.000 2.127 136 R HA -0.117 4.227 4.340 0.007 0.000 0.238 136 R C 2.262 178.347 176.300 -0.358 0.000 1.134 136 R CA 1.476 57.322 56.100 -0.423 0.000 0.975 136 R CB -1.072 28.974 30.300 -0.423 0.000 0.865 136 R HN 0.397 nan 8.270 nan 0.000 0.447 137 A N 0.785 123.376 122.820 -0.381 0.000 1.873 137 A HA -0.194 4.131 4.320 0.007 0.000 0.215 137 A C 2.214 179.599 177.584 -0.332 0.000 1.186 137 A CA 1.390 53.207 52.037 -0.366 0.000 0.616 137 A CB -0.525 18.194 19.000 -0.469 0.000 0.823 137 A HN 0.382 nan 8.150 nan 0.000 0.442 138 Q N -0.396 119.184 119.800 -0.366 0.000 2.045 138 Q HA -0.222 4.122 4.340 0.007 0.000 0.206 138 Q C 2.224 178.113 176.000 -0.186 0.000 0.991 138 Q CA 2.070 57.717 55.803 -0.260 0.000 0.851 138 Q CB -0.407 28.224 28.738 -0.178 0.000 0.911 138 Q HN 0.588 nan 8.270 nan 0.000 0.418 139 A N 0.642 123.343 122.820 -0.199 0.000 1.948 139 A HA -0.182 4.142 4.320 0.007 0.000 0.220 139 A C 1.951 179.445 177.584 -0.151 0.000 1.177 139 A CA 1.525 53.459 52.037 -0.172 0.000 0.636 139 A CB -0.662 18.197 19.000 -0.234 0.000 0.815 139 A HN 0.487 nan 8.150 nan 0.000 0.449 140 L N -1.297 119.821 121.223 -0.174 0.000 2.599 140 L HA 0.199 4.543 4.340 0.007 0.000 0.230 140 L C 1.538 178.334 176.870 -0.123 0.000 1.141 140 L CA 0.429 55.184 54.840 -0.143 0.000 0.877 140 L CB -0.279 41.686 42.059 -0.157 0.000 1.009 140 L HN 0.588 nan 8.230 nan 0.000 0.447 141 G N 0.539 109.260 108.800 -0.131 0.000 2.198 141 G HA2 -0.284 3.680 3.960 0.007 0.000 0.257 141 G HA3 -0.284 3.680 3.960 0.007 0.000 0.257 141 G C 0.065 174.896 174.900 -0.114 0.000 1.042 141 G CA 0.159 45.194 45.100 -0.109 0.000 0.791 141 G HN 0.264 nan 8.290 nan 0.000 0.502 142 M N -0.116 119.392 119.600 -0.153 0.000 2.706 142 M HA 0.614 5.098 4.480 0.007 0.000 0.304 142 M C 1.301 177.503 176.300 -0.164 0.000 1.217 142 M CA -0.217 54.997 55.300 -0.144 0.000 0.922 142 M CB 1.257 33.760 32.600 -0.163 0.000 1.637 142 M HN 0.222 nan 8.290 nan 0.000 0.492 143 G N 0.526 109.279 108.800 -0.079 0.000 2.684 143 G HA2 0.179 4.144 3.960 0.007 0.000 0.255 143 G HA3 0.179 4.144 3.960 0.007 0.000 0.255 143 G C 0.154 174.913 174.900 -0.234 0.000 1.219 143 G CA -0.485 44.589 45.100 -0.043 0.000 0.901 143 G HN 0.636 nan 8.290 nan 0.000 0.548 144 K N -0.462 119.663 120.400 -0.459 0.000 2.498 144 K HA 0.136 4.460 4.320 0.007 0.000 0.207 144 K C 1.305 177.378 176.600 -0.879 0.000 1.033 144 K CA -0.174 55.588 56.287 -0.875 0.000 1.138 144 K CB 0.026 31.727 32.500 -1.333 0.000 0.860 144 K HN 0.587 nan 8.250 nan 0.000 0.490 145 H N 0.571 119.425 119.070 -0.361 0.000 2.353 145 H HA -0.107 4.453 4.556 0.007 0.000 0.298 145 H C 1.758 177.001 175.328 -0.141 0.000 1.103 145 H CA 2.216 58.183 56.048 -0.135 0.000 1.293 145 H CB -0.283 29.434 29.762 -0.075 0.000 1.372 145 H HN 0.080 nan 8.280 nan 0.000 0.501 146 T N 0.256 114.755 114.554 -0.091 0.000 2.652 146 T HA -0.198 4.156 4.350 0.007 0.000 0.267 146 T C 2.391 177.065 174.700 -0.042 0.000 1.039 146 T CA 1.458 63.506 62.100 -0.086 0.000 1.153 146 T CB -0.604 68.168 68.868 -0.159 0.000 0.863 146 T HN 0.540 nan 8.240 nan 0.000 0.428 147 A N 0.297 122.977 122.820 -0.234 0.000 1.940 147 A HA -0.106 4.219 4.320 0.007 0.000 0.219 147 A C 2.162 179.965 177.584 0.365 0.000 1.176 147 A CA 1.334 53.277 52.037 -0.158 0.000 0.631 147 A CB -1.132 17.454 19.000 -0.691 0.000 0.814 147 A HN 0.754 nan 8.150 nan 0.000 0.446 148 W N -0.579 120.833 121.300 0.187 0.000 2.379 148 W HA -0.045 4.619 4.660 0.007 0.000 0.307 148 W C 2.807 179.382 176.519 0.093 0.000 1.200 148 W CA 0.514 57.947 57.345 0.148 0.000 1.297 148 W CB -0.106 29.348 29.460 -0.009 0.000 1.140 148 W HN 0.404 nan 8.180 nan 0.000 0.507 149 A N 0.225 123.214 122.820 0.283 0.000 1.902 149 A HA -0.250 4.074 4.320 0.007 0.000 0.217 149 A C 1.728 179.464 177.584 0.253 0.000 1.181 149 A CA 1.398 53.524 52.037 0.148 0.000 0.623 149 A CB -1.272 17.767 19.000 0.064 0.000 0.818 149 A HN 0.349 nan 8.150 nan 0.000 0.443 150 F N 0.226 120.255 119.950 0.131 0.000 2.250 150 F HA -0.126 4.405 4.527 0.006 0.000 0.301 150 F C 1.684 177.569 175.800 0.142 0.000 1.077 150 F CA 1.124 59.202 58.000 0.131 0.000 1.348 150 F CB -0.577 38.527 39.000 0.173 0.000 1.040 150 F HN 0.175 nan 8.300 nan 0.000 0.509 151 L N -0.432 120.918 121.223 0.211 0.000 2.201 151 L HA -0.126 4.219 4.340 0.007 0.000 0.212 151 L C 2.690 179.570 176.870 0.018 0.000 1.105 151 L CA 1.833 56.655 54.840 -0.029 0.000 0.775 151 L CB -1.083 41.073 42.059 0.163 0.000 0.913 151 L HN 0.242 nan 8.230 nan 0.000 0.440 152 S N -1.347 114.409 115.700 0.093 0.000 2.406 152 S HA -0.060 4.414 4.470 0.007 0.000 0.228 152 S C 2.120 176.828 174.600 0.179 0.000 1.020 152 S CA 0.922 59.198 58.200 0.126 0.000 0.965 152 S CB -0.123 63.117 63.200 0.066 0.000 0.798 152 S HN 0.526 nan 8.310 nan 0.000 0.488 153 A N 1.184 124.080 122.820 0.127 0.000 1.929 153 A HA 0.147 4.471 4.320 0.007 0.000 0.216 153 A C 2.050 179.666 177.584 0.053 0.000 1.176 153 A CA 1.033 53.141 52.037 0.118 0.000 0.628 153 A CB -0.641 18.465 19.000 0.176 0.000 0.816 153 A HN 0.593 nan 8.150 nan 0.000 0.444 154 I N -1.249 119.246 120.570 -0.125 0.000 2.286 154 I HA -0.274 3.901 4.170 0.007 0.000 0.248 154 I C 2.441 178.646 176.117 0.148 0.000 1.115 154 I CA 1.186 62.369 61.300 -0.195 0.000 1.392 154 I CB -0.257 37.282 38.000 -0.769 0.000 1.065 154 I HN 0.755 nan 8.210 nan 0.000 0.418 155 W N 1.526 122.808 121.300 -0.029 0.000 2.318 155 W HA -0.317 4.348 4.660 0.008 0.000 0.313 155 W C 2.285 178.846 176.519 0.071 0.000 1.221 155 W CA 1.363 58.728 57.345 0.034 0.000 1.266 155 W CB -0.257 29.210 29.460 0.011 0.000 1.150 155 W HN 0.163 nan 8.180 nan 0.000 0.496 156 L N 0.906 122.071 121.223 -0.096 0.000 2.056 156 L HA -0.127 4.218 4.340 0.007 0.000 0.207 156 L C 2.298 179.107 176.870 -0.102 0.000 1.078 156 L CA 2.658 57.366 54.840 -0.221 0.000 0.749 156 L CB -1.688 40.354 42.059 -0.027 0.000 0.901 156 L HN 0.226 nan 8.230 nan 0.000 0.433 157 W N -0.258 120.946 121.300 -0.160 0.000 2.342 157 W HA -0.248 4.415 4.660 0.006 0.000 0.297 157 W C 2.145 178.608 176.519 -0.093 0.000 1.213 157 W CA 1.821 59.086 57.345 -0.133 0.000 1.251 157 W CB -0.191 29.166 29.460 -0.170 0.000 1.136 157 W HN 0.106 nan 8.180 nan 0.000 0.526 158 M N -0.062 119.422 119.600 -0.193 0.000 2.156 158 M HA -0.137 4.347 4.480 0.007 0.000 0.264 158 M C 1.941 178.115 176.300 -0.210 0.000 1.067 158 M CA 1.250 56.372 55.300 -0.297 0.000 1.131 158 M CB -1.503 31.117 32.600 0.033 0.000 1.368 158 M HN -0.030 nan 8.290 nan 0.000 0.416 159 V N 0.682 120.383 119.914 -0.354 0.000 2.295 159 V HA -0.263 3.861 4.120 0.007 0.000 0.246 159 V C 2.523 178.512 176.094 -0.175 0.000 1.049 159 V CA 1.407 63.489 62.300 -0.364 0.000 1.024 159 V CB -0.665 30.783 31.823 -0.624 0.000 0.648 159 V HN 0.382 nan 8.190 nan 0.000 0.447 160 L N 0.282 121.399 121.223 -0.176 0.000 1.989 160 L HA -0.134 4.211 4.340 0.007 0.000 0.211 160 L C 2.265 179.105 176.870 -0.050 0.000 1.071 160 L CA 2.030 56.806 54.840 -0.106 0.000 0.749 160 L CB -0.790 41.180 42.059 -0.149 0.000 0.890 160 L HN 0.501 nan 8.230 nan 0.000 0.431 161 G N -3.122 105.620 108.800 -0.096 0.000 3.159 161 G HA2 0.008 3.973 3.960 0.007 0.000 0.232 161 G HA3 0.008 3.973 3.960 0.007 0.000 0.232 161 G C 0.743 175.792 174.900 0.249 0.000 1.116 161 G CA -0.137 44.998 45.100 0.058 0.000 0.767 161 G HN 0.205 nan 8.290 nan 0.000 0.547 162 F N 0.096 120.038 119.950 -0.014 0.000 2.102 162 F HA 0.374 4.905 4.527 0.007 0.000 0.245 162 F C 2.178 178.044 175.800 0.110 0.000 1.049 162 F CA 0.016 58.090 58.000 0.123 0.000 1.227 162 F CB -0.185 38.841 39.000 0.044 0.000 1.527 162 F HN -0.041 nan 8.300 nan 0.000 0.624 163 I N 0.972 121.604 120.570 0.103 0.000 2.127 163 I HA -0.296 3.878 4.170 0.007 0.000 0.241 163 I C 2.565 178.638 176.117 -0.073 0.000 1.075 163 I CA 1.947 63.230 61.300 -0.029 0.000 1.334 163 I CB -0.600 37.422 38.000 0.037 0.000 1.040 163 I HN 0.189 nan 8.210 nan 0.000 0.405 164 R N 1.121 121.601 120.500 -0.033 0.000 2.073 164 R HA -0.138 4.207 4.340 0.007 0.000 0.234 164 R C -0.429 175.866 176.300 -0.008 0.000 1.134 164 R CA 1.802 57.903 56.100 0.002 0.000 0.952 164 R CB -1.144 29.193 30.300 0.062 0.000 0.850 164 R HN 0.205 nan 8.270 nan 0.000 0.433 165 P HA -0.135 nan 4.420 nan 0.000 0.218 165 P C 0.947 178.097 177.300 -0.251 0.000 1.148 165 P CA 1.346 64.428 63.100 -0.030 0.000 0.822 165 P CB 0.013 31.798 31.700 0.142 0.000 0.784 166 I N -1.647 118.723 120.570 -0.333 0.000 2.353 166 I HA -0.156 4.018 4.170 0.007 0.000 0.248 166 I C 2.114 178.063 176.117 -0.279 0.000 1.119 166 I CA 1.041 62.069 61.300 -0.453 0.000 1.417 166 I CB -0.433 37.262 38.000 -0.509 0.000 1.078 166 I HN -0.107 nan 8.210 nan 0.000 0.421 167 L N -0.148 120.967 121.223 -0.179 0.000 2.275 167 L HA -0.130 4.215 4.340 0.007 0.000 0.215 167 L C 2.243 179.051 176.870 -0.104 0.000 1.119 167 L CA 1.077 55.849 54.840 -0.113 0.000 0.790 167 L CB -0.193 41.830 42.059 -0.059 0.000 0.919 167 L HN 0.306 nan 8.230 nan 0.000 0.443 168 M N -1.456 118.077 119.600 -0.112 0.000 2.428 168 M HA 0.179 4.664 4.480 0.007 0.000 0.239 168 M C 1.393 177.613 176.300 -0.133 0.000 1.121 168 M CA 0.759 56.003 55.300 -0.093 0.000 1.019 168 M CB 0.621 33.195 32.600 -0.044 0.000 1.485 168 M HN 0.385 nan 8.290 nan 0.000 0.484 169 G N 1.413 110.092 108.800 -0.202 0.000 2.195 169 G HA2 -0.227 3.738 3.960 0.007 0.000 0.246 169 G HA3 -0.227 3.738 3.960 0.007 0.000 0.246 169 G C 0.158 174.879 174.900 -0.298 0.000 0.984 169 G CA 0.328 45.289 45.100 -0.232 0.000 0.633 169 G HN 0.596 nan 8.290 nan 0.000 0.525 170 S N -2.014 113.495 115.700 -0.319 0.000 2.550 170 S HA 0.546 5.021 4.470 0.007 0.000 0.270 170 S C 0.219 174.642 174.600 -0.294 0.000 1.145 170 S CA -0.106 57.894 58.200 -0.334 0.000 0.852 170 S CB 0.636 63.745 63.200 -0.152 0.000 1.119 170 S HN 0.420 nan 8.310 nan 0.000 0.465 171 W N 1.433 122.662 121.300 -0.119 0.000 2.699 171 W HA 0.023 4.686 4.660 0.006 0.000 0.249 171 W C 2.458 178.799 176.519 -0.295 0.000 1.280 171 W CA 0.451 57.692 57.345 -0.173 0.000 1.345 171 W CB 0.062 29.413 29.460 -0.181 0.000 1.128 171 W HN 0.920 nan 8.180 nan 0.000 0.642 172 S N -0.244 115.447 115.700 -0.014 0.000 2.547 172 S HA -0.127 4.348 4.470 0.007 0.000 0.235 172 S C 1.391 176.006 174.600 0.024 0.000 0.980 172 S CA 0.886 59.050 58.200 -0.061 0.000 0.941 172 S CB -0.179 63.008 63.200 -0.021 0.000 0.763 172 S HN 0.216 nan 8.310 nan 0.000 0.532 173 E N 1.587 121.835 120.200 0.079 0.000 2.299 173 E HA 0.314 4.669 4.350 0.007 0.000 0.193 173 E C 1.163 177.974 176.600 0.352 0.000 0.998 173 E CA 0.521 57.052 56.400 0.217 0.000 0.851 173 E CB -0.316 29.485 29.700 0.167 0.000 0.795 173 E HN 0.705 nan 8.360 nan 0.000 0.492 174 A N 1.195 124.119 122.820 0.174 0.000 2.366 174 A HA 0.230 4.555 4.320 0.007 0.000 0.250 174 A C 0.457 177.954 177.584 -0.146 0.000 1.099 174 A CA -0.341 51.766 52.037 0.115 0.000 0.794 174 A CB 0.450 19.620 19.000 0.283 0.000 1.056 174 A HN -0.039 nan 8.150 nan 0.000 0.499 175 V N 2.734 122.404 119.914 -0.407 0.000 2.583 175 V HA 0.299 4.424 4.120 0.007 0.000 0.287 175 V C -1.777 174.103 176.094 -0.356 0.000 1.051 175 V CA -1.015 60.789 62.300 -0.826 0.000 1.010 175 V CB 0.929 32.239 31.823 -0.854 0.000 0.988 175 V HN 0.862 nan 8.190 nan 0.000 0.478 176 P HA 0.200 nan 4.420 nan 0.000 0.277 176 P C -1.394 175.888 177.300 -0.031 0.000 1.240 176 P CA -0.410 62.632 63.100 -0.097 0.000 0.798 176 P CB 0.576 32.301 31.700 0.043 0.000 0.979 177 Y N 0.900 121.419 120.300 0.364 0.000 2.691 177 Y HA 0.558 5.113 4.550 0.008 0.000 0.338 177 Y C 1.306 177.381 175.900 0.293 0.000 1.148 177 Y CA 0.088 58.345 58.100 0.261 0.000 1.430 177 Y CB 0.001 38.577 38.460 0.193 0.000 1.303 177 Y HN 0.479 nan 8.280 nan 0.000 0.499 178 G N 1.263 110.272 108.800 0.348 0.000 2.732 178 G HA2 0.388 4.352 3.960 0.007 0.000 0.296 178 G HA3 0.388 4.352 3.960 0.007 0.000 0.296 178 G C 0.078 175.096 174.900 0.196 0.000 1.448 178 G CA -0.731 44.576 45.100 0.346 0.000 0.911 178 G HN 0.168 nan 8.290 nan 0.000 0.528 179 I N 0.900 121.511 120.570 0.067 0.000 2.072 179 I HA -0.056 4.118 4.170 0.007 0.000 0.235 179 I C 2.518 178.807 176.117 0.285 0.000 1.058 179 I CA 1.432 62.704 61.300 -0.047 0.000 1.320 179 I CB -1.034 36.593 38.000 -0.621 0.000 1.047 179 I HN 0.435 nan 8.210 nan 0.000 0.397 180 F N 1.800 121.726 119.950 -0.040 0.000 2.146 180 F HA -0.143 4.398 4.527 0.023 0.000 0.298 180 F C 3.039 178.874 175.800 0.058 0.000 1.096 180 F CA 1.196 59.166 58.000 -0.050 0.000 1.275 180 F CB -1.732 37.139 39.000 -0.215 0.000 1.008 180 F HN 0.203 nan 8.300 nan 0.000 0.480 181 S N 0.332 116.220 115.700 0.314 0.000 2.359 181 S HA -0.292 4.183 4.470 0.007 0.000 0.224 181 S C 2.130 176.922 174.600 0.320 0.000 1.035 181 S CA 1.705 60.071 58.200 0.275 0.000 1.018 181 S CB -1.397 61.956 63.200 0.254 0.000 0.876 181 S HN 0.648 nan 8.310 nan 0.000 0.448 182 H N 2.324 121.512 119.070 0.197 0.000 2.457 182 H HA 0.119 4.682 4.556 0.011 0.000 0.294 182 H C 1.950 177.431 175.328 0.256 0.000 1.064 182 H CA 1.364 57.526 56.048 0.190 0.000 1.330 182 H CB -0.654 29.173 29.762 0.108 0.000 1.395 182 H HN 0.461 nan 8.280 nan 0.000 0.541 183 L N 0.666 121.788 121.223 -0.168 0.000 2.044 183 L HA -0.121 4.223 4.340 0.007 0.000 0.205 183 L C 2.354 179.234 176.870 0.017 0.000 1.075 183 L CA 1.306 56.032 54.840 -0.190 0.000 0.747 183 L CB -0.346 41.655 42.059 -0.097 0.000 0.903 183 L HN 0.148 nan 8.230 nan 0.000 0.435 184 D N -0.611 119.842 120.400 0.089 0.000 2.144 184 D HA -0.238 4.406 4.640 0.007 0.000 0.199 184 D C 1.805 178.197 176.300 0.153 0.000 0.984 184 D CA 1.152 55.208 54.000 0.094 0.000 0.834 184 D CB -0.174 40.688 40.800 0.104 0.000 0.955 184 D HN 0.458 nan 8.370 nan 0.000 0.465 185 W N 1.707 123.033 121.300 0.044 0.000 2.374 185 W HA -0.171 4.494 4.660 0.009 0.000 0.288 185 W C 1.989 178.567 176.519 0.098 0.000 1.218 185 W CA 1.565 58.960 57.345 0.083 0.000 1.245 185 W CB -0.090 29.430 29.460 0.101 0.000 1.126 185 W HN -0.184 nan 8.180 nan 0.000 0.545 186 T N -0.053 114.722 114.554 0.369 0.000 2.812 186 T HA -0.223 4.132 4.350 0.007 0.000 0.264 186 T C 1.642 176.351 174.700 0.015 0.000 1.042 186 T CA 1.549 63.770 62.100 0.201 0.000 1.140 186 T CB -0.585 68.387 68.868 0.172 0.000 0.870 186 T HN 0.405 nan 8.240 nan 0.000 0.445 187 N N 0.958 119.660 118.700 0.003 0.000 2.188 187 N HA -0.147 4.598 4.740 0.007 0.000 0.184 187 N C 1.923 177.398 175.510 -0.057 0.000 1.018 187 N CA 1.064 54.094 53.050 -0.033 0.000 0.858 187 N CB -0.089 38.380 38.487 -0.029 0.000 0.989 187 N HN 0.214 nan 8.380 nan 0.000 0.426 188 N N 0.068 118.719 118.700 -0.081 0.000 2.244 188 N HA -0.127 4.617 4.740 0.007 0.000 0.183 188 N C 1.524 176.933 175.510 -0.169 0.000 1.016 188 N CA 0.745 53.720 53.050 -0.125 0.000 0.866 188 N CB -0.339 38.066 38.487 -0.136 0.000 0.980 188 N HN 0.239 nan 8.380 nan 0.000 0.430 189 F N 0.401 120.100 119.950 -0.419 0.000 2.095 189 F HA -0.156 4.373 4.527 0.003 0.000 0.298 189 F C 2.710 178.463 175.800 -0.079 0.000 1.104 189 F CA 1.654 59.418 58.000 -0.393 0.000 1.232 189 F CB -0.744 37.813 39.000 -0.738 0.000 0.987 189 F HN 0.048 nan 8.300 nan 0.000 0.475 190 S N -0.082 115.682 115.700 0.107 0.000 2.368 190 S HA -0.152 4.323 4.470 0.007 0.000 0.225 190 S C 2.007 176.606 174.600 -0.001 0.000 1.030 190 S CA 1.176 59.402 58.200 0.043 0.000 0.999 190 S CB -0.539 62.602 63.200 -0.098 0.000 0.844 190 S HN 0.269 nan 8.310 nan 0.000 0.459 191 L N 2.012 123.207 121.223 -0.048 0.000 1.989 191 L HA -0.050 4.295 4.340 0.007 0.000 0.211 191 L C 2.693 179.510 176.870 -0.090 0.000 1.071 191 L CA 2.146 56.950 54.840 -0.061 0.000 0.749 191 L CB -1.307 40.708 42.059 -0.074 0.000 0.890 191 L HN 0.462 nan 8.230 nan 0.000 0.431 192 V N -3.006 116.808 119.914 -0.166 0.000 2.970 192 V HA -0.158 3.966 4.120 0.007 0.000 0.260 192 V C 1.142 176.981 176.094 -0.426 0.000 1.100 192 V CA 1.178 63.298 62.300 -0.301 0.000 1.122 192 V CB -1.065 30.506 31.823 -0.420 0.000 0.721 192 V HN 0.581 nan 8.190 nan 0.000 0.483 193 H N 1.429 120.374 119.070 -0.208 0.000 2.524 193 H HA 0.635 5.194 4.556 0.005 0.000 0.297 193 H C 1.148 176.510 175.328 0.057 0.000 1.115 193 H CA 0.356 56.326 56.048 -0.131 0.000 1.027 193 H CB -0.087 29.588 29.762 -0.144 0.000 1.591 193 H HN 0.771 nan 8.280 nan 0.000 0.543 194 G N 1.114 109.978 108.800 0.107 0.000 2.698 194 G HA2 -0.325 3.639 3.960 0.007 0.000 0.233 194 G HA3 -0.325 3.639 3.960 0.007 0.000 0.233 194 G C -0.318 174.741 174.900 0.266 0.000 1.352 194 G CA -0.445 44.779 45.100 0.208 0.000 0.879 194 G HN 0.531 nan 8.290 nan 0.000 0.567 195 N N 0.557 119.502 118.700 0.407 0.000 2.414 195 N HA 0.375 5.120 4.740 0.007 0.000 0.256 195 N C 1.743 177.361 175.510 0.179 0.000 1.029 195 N CA -0.434 52.766 53.050 0.250 0.000 0.948 195 N CB 0.831 39.477 38.487 0.265 0.000 1.102 195 N HN 0.534 nan 8.380 nan 0.000 0.496 196 L N 2.511 123.679 121.223 -0.092 0.000 2.263 196 L HA -0.184 4.160 4.340 0.007 0.000 0.216 196 L C 1.005 177.626 176.870 -0.415 0.000 1.111 196 L CA 1.005 55.653 54.840 -0.320 0.000 0.773 196 L CB -0.360 41.353 42.059 -0.577 0.000 0.906 196 L HN 0.527 nan 8.230 nan 0.000 0.439 197 F N -1.275 118.490 119.950 -0.308 0.000 2.408 197 F HA -0.200 4.324 4.527 -0.004 0.000 0.300 197 F C 1.927 177.611 175.800 -0.193 0.000 1.090 197 F CA 0.762 58.611 58.000 -0.252 0.000 1.427 197 F CB -0.881 37.947 39.000 -0.288 0.000 1.070 197 F HN 0.099 nan 8.300 nan 0.000 0.549 198 Y N -1.413 119.016 120.300 0.214 0.000 2.490 198 Y HA 0.034 4.588 4.550 0.008 0.000 0.281 198 Y C 1.109 177.082 175.900 0.122 0.000 1.174 198 Y CA -0.328 57.926 58.100 0.256 0.000 1.295 198 Y CB -0.194 38.508 38.460 0.403 0.000 1.062 198 Y HN -0.170 nan 8.280 nan 0.000 0.522 199 N N 2.640 121.251 118.700 -0.148 0.000 2.401 199 N HA 0.027 4.771 4.740 0.007 0.000 0.255 199 N C -1.756 173.534 175.510 -0.366 0.000 1.110 199 N CA -2.063 50.472 53.050 -0.858 0.000 0.949 199 N CB 1.115 38.755 38.487 -1.411 0.000 1.110 199 N HN 0.030 nan 8.380 nan 0.000 0.490 200 P HA -0.158 nan 4.420 nan 0.000 0.216 200 P C 1.054 178.180 177.300 -0.290 0.000 1.150 200 P CA 1.361 64.340 63.100 -0.201 0.000 0.843 200 P CB -0.002 31.596 31.700 -0.169 0.000 0.787 201 F N -1.061 118.797 119.950 -0.153 0.000 2.367 201 F HA -0.078 4.453 4.527 0.006 0.000 0.298 201 F C 2.881 178.663 175.800 -0.029 0.000 1.094 201 F CA 0.891 58.863 58.000 -0.046 0.000 1.409 201 F CB -1.036 37.943 39.000 -0.034 0.000 1.064 201 F HN 0.079 nan 8.300 nan 0.000 0.528 202 H N 0.007 119.055 119.070 -0.038 0.000 2.395 202 H HA -0.048 4.513 4.556 0.008 0.000 0.299 202 H C 2.318 177.642 175.328 -0.005 0.000 1.070 202 H CA 1.530 57.559 56.048 -0.033 0.000 1.356 202 H CB -0.343 29.351 29.762 -0.113 0.000 1.401 202 H HN 0.317 nan 8.280 nan 0.000 0.524 203 G N 0.739 109.570 108.800 0.051 0.000 2.421 203 G HA2 -0.119 3.845 3.960 0.007 0.000 0.217 203 G HA3 -0.119 3.845 3.960 0.007 0.000 0.217 203 G C 2.018 176.857 174.900 -0.101 0.000 1.143 203 G CA 0.292 45.387 45.100 -0.008 0.000 0.784 203 G HN 0.332 nan 8.290 nan 0.000 0.541 204 L N 0.375 121.561 121.223 -0.063 0.000 2.044 204 L HA -0.041 4.304 4.340 0.007 0.000 0.205 204 L C 3.091 179.977 176.870 0.026 0.000 1.075 204 L CA 1.217 56.028 54.840 -0.048 0.000 0.747 204 L CB -0.382 41.743 42.059 0.110 0.000 0.903 204 L HN 0.324 nan 8.230 nan 0.000 0.435 205 S N 0.077 115.842 115.700 0.109 0.000 2.387 205 S HA -0.185 4.289 4.470 0.007 0.000 0.230 205 S C 1.928 176.500 174.600 -0.047 0.000 1.035 205 S CA 1.253 59.532 58.200 0.131 0.000 1.014 205 S CB -0.243 62.969 63.200 0.021 0.000 0.836 205 S HN 0.295 nan 8.310 nan 0.000 0.466 206 I N 1.258 121.680 120.570 -0.246 0.000 2.252 206 I HA -0.118 4.057 4.170 0.007 0.000 0.245 206 I C 2.818 178.666 176.117 -0.448 0.000 1.102 206 I CA 1.003 62.041 61.300 -0.438 0.000 1.385 206 I CB -0.722 36.983 38.000 -0.491 0.000 1.064 206 I HN 0.361 nan 8.210 nan 0.000 0.414 207 A N 1.041 123.658 122.820 -0.339 0.000 1.948 207 A HA -0.225 4.100 4.320 0.007 0.000 0.220 207 A C 2.096 179.502 177.584 -0.296 0.000 1.177 207 A CA 1.722 53.559 52.037 -0.333 0.000 0.636 207 A CB -1.044 17.660 19.000 -0.492 0.000 0.815 207 A HN 0.397 nan 8.150 nan 0.000 0.449 208 F N -1.367 118.586 119.950 0.006 0.000 2.293 208 F HA 0.000 4.532 4.527 0.007 0.000 0.297 208 F C 2.014 177.847 175.800 0.055 0.000 1.089 208 F CA 0.719 58.753 58.000 0.057 0.000 1.377 208 F CB -0.134 38.912 39.000 0.077 0.000 1.051 208 F HN 0.259 nan 8.300 nan 0.000 0.511 209 L N -0.730 120.570 121.223 0.128 0.000 2.023 209 L HA -0.189 4.155 4.340 0.007 0.000 0.205 209 L C 2.142 179.124 176.870 0.187 0.000 1.073 209 L CA 1.851 56.755 54.840 0.106 0.000 0.745 209 L CB -1.008 41.047 42.059 -0.008 0.000 0.900 209 L HN 0.026 nan 8.230 nan 0.000 0.435 210 Y N 0.210 120.551 120.300 0.069 0.000 2.224 210 Y HA -0.048 4.505 4.550 0.004 0.000 0.289 210 Y C 2.563 178.502 175.900 0.065 0.000 1.146 210 Y CA 0.798 58.930 58.100 0.053 0.000 1.182 210 Y CB -1.591 36.880 38.460 0.017 0.000 0.983 210 Y HN 0.262 nan 8.280 nan 0.000 0.524 211 G N -1.359 107.579 108.800 0.229 0.000 2.432 211 G HA2 -0.201 3.764 3.960 0.007 0.000 0.219 211 G HA3 -0.201 3.764 3.960 0.007 0.000 0.219 211 G C 1.916 176.926 174.900 0.183 0.000 1.135 211 G CA 1.167 46.373 45.100 0.176 0.000 0.767 211 G HN 0.383 nan 8.290 nan 0.000 0.550 212 S N 0.836 116.661 115.700 0.208 0.000 2.387 212 S HA 0.086 4.561 4.470 0.007 0.000 0.226 212 S C 2.784 177.513 174.600 0.216 0.000 1.026 212 S CA 0.983 59.299 58.200 0.193 0.000 0.972 212 S CB -0.253 63.064 63.200 0.194 0.000 0.814 212 S HN 0.565 nan 8.310 nan 0.000 0.477 213 A N 1.690 124.636 122.820 0.209 0.000 1.877 213 A HA -0.045 4.279 4.320 0.007 0.000 0.216 213 A C 2.127 179.811 177.584 0.166 0.000 1.186 213 A CA 1.450 53.601 52.037 0.191 0.000 0.620 213 A CB -0.840 18.259 19.000 0.165 0.000 0.822 213 A HN 0.420 nan 8.150 nan 0.000 0.443 214 L N -0.733 120.572 121.223 0.137 0.000 1.989 214 L HA -0.154 4.190 4.340 0.007 0.000 0.211 214 L C 2.250 179.171 176.870 0.084 0.000 1.071 214 L CA 2.318 57.216 54.840 0.097 0.000 0.749 214 L CB -0.682 41.422 42.059 0.075 0.000 0.890 214 L HN 0.323 nan 8.230 nan 0.000 0.431 215 L N -1.603 119.668 121.223 0.079 0.000 2.056 215 L HA -0.152 4.192 4.340 0.007 0.000 0.207 215 L C 2.248 179.197 176.870 0.132 0.000 1.078 215 L CA 1.629 56.485 54.840 0.026 0.000 0.749 215 L CB -0.880 41.178 42.059 -0.001 0.000 0.901 215 L HN 0.298 nan 8.230 nan 0.000 0.433 216 F N 0.029 120.015 119.950 0.060 0.000 2.259 216 F HA -0.020 4.511 4.527 0.007 0.000 0.298 216 F C 2.378 178.221 175.800 0.072 0.000 1.088 216 F CA 0.631 58.683 58.000 0.087 0.000 1.358 216 F CB -0.983 38.071 39.000 0.090 0.000 1.040 216 F HN 0.184 nan 8.300 nan 0.000 0.505 217 A N 0.110 123.085 122.820 0.258 0.000 1.858 217 A HA -0.239 4.085 4.320 0.007 0.000 0.216 217 A C 2.337 180.010 177.584 0.149 0.000 1.190 217 A CA 1.992 54.112 52.037 0.139 0.000 0.617 217 A CB -0.769 18.295 19.000 0.106 0.000 0.827 217 A HN 0.370 nan 8.150 nan 0.000 0.443 218 M N -1.925 117.766 119.600 0.151 0.000 2.065 218 M HA -0.208 4.276 4.480 0.007 0.000 0.259 218 M C 2.341 178.735 176.300 0.157 0.000 1.071 218 M CA 2.282 57.674 55.300 0.153 0.000 1.109 218 M CB -0.643 31.878 32.600 -0.132 0.000 1.313 218 M HN 0.698 nan 8.290 nan 0.000 0.408 219 H N -0.127 118.964 119.070 0.035 0.000 2.321 219 H HA -0.055 4.505 4.556 0.007 0.000 0.300 219 H C 1.970 177.380 175.328 0.137 0.000 1.087 219 H CA 2.157 58.231 56.048 0.044 0.000 1.319 219 H CB -0.660 29.092 29.762 -0.018 0.000 1.379 219 H HN 0.348 nan 8.280 nan 0.000 0.501 220 G N -0.154 108.733 108.800 0.145 0.000 2.440 220 G HA2 -0.273 3.692 3.960 0.007 0.000 0.218 220 G HA3 -0.273 3.692 3.960 0.007 0.000 0.218 220 G C 1.901 176.755 174.900 -0.076 0.000 1.154 220 G CA 1.075 46.178 45.100 0.004 0.000 0.767 220 G HN 0.617 nan 8.290 nan 0.000 0.552 221 A N 0.032 122.836 122.820 -0.026 0.000 1.930 221 A HA 0.052 4.376 4.320 0.007 0.000 0.217 221 A C 2.523 180.055 177.584 -0.087 0.000 1.175 221 A CA 2.315 54.320 52.037 -0.053 0.000 0.627 221 A CB -0.798 18.190 19.000 -0.020 0.000 0.815 221 A HN 0.297 nan 8.150 nan 0.000 0.443 222 T N 0.685 115.210 114.554 -0.047 0.000 2.643 222 T HA -0.121 4.233 4.350 0.007 0.000 0.264 222 T C 1.799 176.449 174.700 -0.084 0.000 1.045 222 T CA 1.525 63.598 62.100 -0.045 0.000 1.155 222 T CB -0.307 68.648 68.868 0.144 0.000 0.863 222 T HN 0.285 nan 8.240 nan 0.000 0.420 223 I N 1.142 121.616 120.570 -0.159 0.000 2.264 223 I HA -0.100 4.075 4.170 0.007 0.000 0.248 223 I C 2.350 178.415 176.117 -0.087 0.000 1.111 223 I CA 1.253 62.474 61.300 -0.130 0.000 1.382 223 I CB -1.278 36.593 38.000 -0.215 0.000 1.060 223 I HN 0.277 nan 8.210 nan 0.000 0.418 224 L N 0.383 121.541 121.223 -0.108 0.000 2.056 224 L HA -0.143 4.201 4.340 0.007 0.000 0.207 224 L C 2.730 179.547 176.870 -0.087 0.000 1.078 224 L CA 1.206 55.986 54.840 -0.100 0.000 0.749 224 L CB -0.629 41.362 42.059 -0.114 0.000 0.901 224 L HN 0.177 nan 8.230 nan 0.000 0.433 225 A N -0.044 122.721 122.820 -0.092 0.000 2.024 225 A HA -0.145 4.180 4.320 0.007 0.000 0.220 225 A C 1.808 179.381 177.584 -0.018 0.000 1.164 225 A CA 1.891 53.876 52.037 -0.087 0.000 0.643 225 A CB -0.561 18.346 19.000 -0.155 0.000 0.806 225 A HN 0.385 nan 8.150 nan 0.000 0.451 226 V N -2.385 117.545 119.914 0.027 0.000 3.214 226 V HA 0.160 4.284 4.120 0.007 0.000 0.330 226 V C 1.468 177.618 176.094 0.092 0.000 1.403 226 V CA 0.754 63.165 62.300 0.184 0.000 1.143 226 V CB -0.669 31.312 31.823 0.264 0.000 1.098 226 V HN 0.517 nan 8.190 nan 0.000 0.463 227 S N 2.248 117.928 115.700 -0.033 0.000 2.447 227 S HA -0.227 4.247 4.470 0.007 0.000 0.233 227 S C 1.942 176.470 174.600 -0.120 0.000 1.006 227 S CA 1.269 59.436 58.200 -0.054 0.000 0.957 227 S CB -0.697 62.459 63.200 -0.073 0.000 0.773 227 S HN 0.869 nan 8.310 nan 0.000 0.507 228 R N 0.443 120.777 120.500 -0.277 0.000 2.285 228 R HA 0.055 4.400 4.340 0.007 0.000 0.213 228 R C 0.366 176.337 176.300 -0.548 0.000 1.068 228 R CA 1.052 56.874 56.100 -0.464 0.000 1.004 228 R CB -0.686 29.204 30.300 -0.684 0.000 0.873 228 R HN 0.563 nan 8.270 nan 0.000 0.467 229 F N 0.197 120.139 119.950 -0.015 0.000 2.735 229 F HA 0.450 4.981 4.527 0.007 0.000 0.304 229 F C 1.083 176.879 175.800 -0.007 0.000 1.119 229 F CA -0.175 57.820 58.000 -0.009 0.000 1.280 229 F CB 1.300 40.294 39.000 -0.009 0.000 0.994 229 F HN 0.175 nan 8.300 nan 0.000 0.520 230 G N 0.773 109.629 108.800 0.093 0.000 2.176 230 G HA2 -0.292 3.672 3.960 0.007 0.000 0.252 230 G HA3 -0.292 3.672 3.960 0.007 0.000 0.252 230 G C 1.399 176.345 174.900 0.076 0.000 1.024 230 G CA 0.213 45.352 45.100 0.064 0.000 0.755 230 G HN 0.674 nan 8.290 nan 0.000 0.507 231 G N 0.809 109.668 108.800 0.098 0.000 2.479 231 G HA2 -0.090 3.875 3.960 0.007 0.000 0.220 231 G HA3 -0.090 3.875 3.960 0.007 0.000 0.220 231 G C 1.474 176.410 174.900 0.060 0.000 1.115 231 G CA 1.511 46.664 45.100 0.089 0.000 0.757 231 G HN 0.865 nan 8.290 nan 0.000 0.560 232 E N 0.878 121.099 120.200 0.034 0.000 2.358 232 E HA -0.063 4.291 4.350 0.007 0.000 0.195 232 E C 0.998 177.620 176.600 0.036 0.000 1.010 232 E CA 0.014 56.431 56.400 0.029 0.000 0.856 232 E CB -0.194 29.506 29.700 -0.002 0.000 0.795 232 E HN 0.299 nan 8.360 nan 0.000 0.504 233 R N 1.803 122.323 120.500 0.033 0.000 4.164 233 R HA 0.120 4.464 4.340 0.007 0.000 0.195 233 R C 0.873 177.194 176.300 0.035 0.000 1.712 233 R CA -0.009 56.105 56.100 0.024 0.000 1.457 233 R CB 0.021 30.333 30.300 0.020 0.000 1.387 233 R HN 0.269 nan 8.270 nan 0.000 0.785 234 E N 0.836 121.063 120.200 0.045 0.000 2.110 234 E HA -0.220 4.134 4.350 0.007 0.000 0.193 234 E C 1.364 177.979 176.600 0.025 0.000 0.988 234 E CA 1.082 57.522 56.400 0.067 0.000 0.804 234 E CB 0.029 29.794 29.700 0.107 0.000 0.745 234 E HN 0.491 nan 8.360 nan 0.000 0.458 235 L N 0.693 121.907 121.223 -0.016 0.000 2.083 235 L HA -0.200 4.144 4.340 0.007 0.000 0.209 235 L C 2.551 179.417 176.870 -0.007 0.000 1.083 235 L CA 1.076 55.899 54.840 -0.029 0.000 0.752 235 L CB -0.159 41.872 42.059 -0.047 0.000 0.899 235 L HN 0.091 nan 8.230 nan 0.000 0.433 236 E N -0.437 119.764 120.200 0.002 0.000 2.152 236 E HA -0.183 4.171 4.350 0.007 0.000 0.192 236 E C 2.186 178.797 176.600 0.019 0.000 0.983 236 E CA 0.874 57.279 56.400 0.008 0.000 0.818 236 E CB 0.096 29.801 29.700 0.009 0.000 0.758 236 E HN 0.294 nan 8.360 nan 0.000 0.467 237 Q N -0.236 119.582 119.800 0.031 0.000 2.230 237 Q HA -0.038 4.307 4.340 0.007 0.000 0.202 237 Q C 2.223 178.247 176.000 0.039 0.000 0.963 237 Q CA 0.782 56.609 55.803 0.040 0.000 0.866 237 Q CB 0.063 28.837 28.738 0.059 0.000 0.931 237 Q HN 0.444 nan 8.270 nan 0.000 0.452 238 I N 0.212 120.803 120.570 0.036 0.000 2.233 238 I HA -0.194 3.981 4.170 0.007 0.000 0.243 238 I C 2.225 178.355 176.117 0.021 0.000 1.093 238 I CA 0.960 62.281 61.300 0.034 0.000 1.380 238 I CB -0.286 37.728 38.000 0.023 0.000 1.067 238 I HN 0.033 nan 8.210 nan 0.000 0.413 239 A N -0.674 122.154 122.820 0.013 0.000 2.014 239 A HA -0.169 4.156 4.320 0.007 0.000 0.218 239 A C 0.802 178.393 177.584 0.011 0.000 1.163 239 A CA 1.559 53.601 52.037 0.008 0.000 0.652 239 A CB -0.121 18.880 19.000 0.002 0.000 0.808 239 A HN 0.437 nan 8.150 nan 0.000 0.449 240 D N -1.327 119.081 120.400 0.014 0.000 2.527 240 D HA 0.122 4.767 4.640 0.007 0.000 0.242 240 D C -0.413 175.896 176.300 0.015 0.000 1.285 240 D CA -0.464 53.544 54.000 0.013 0.000 0.886 240 D CB -0.108 40.698 40.800 0.011 0.000 1.402 240 D HN 0.205 nan 8.370 nan 0.000 0.528 241 R N 1.302 121.812 120.500 0.016 0.000 2.474 241 R HA 0.247 4.591 4.340 0.007 0.000 0.290 241 R C 0.354 176.657 176.300 0.005 0.000 0.918 241 R CA 0.961 57.069 56.100 0.014 0.000 1.130 241 R CB 0.167 30.474 30.300 0.012 0.000 0.881 241 R HN 0.431 nan 8.270 nan 0.000 0.416 242 G N 0.796 109.598 108.800 0.003 0.000 2.820 242 G HA2 0.092 4.056 3.960 0.007 0.000 0.291 242 G HA3 0.092 4.056 3.960 0.007 0.000 0.291 242 G C 0.480 175.351 174.900 -0.048 0.000 1.323 242 G CA -0.284 44.812 45.100 -0.008 0.000 1.055 242 G HN 0.557 nan 8.290 nan 0.000 0.520 243 T N -0.622 113.880 114.554 -0.087 0.000 3.007 243 T HA 0.001 4.355 4.350 0.007 0.000 0.270 243 T C 2.421 176.943 174.700 -0.296 0.000 1.107 243 T CA 2.184 64.160 62.100 -0.207 0.000 1.118 243 T CB -0.464 68.231 68.868 -0.288 0.000 0.889 243 T HN 0.623 nan 8.240 nan 0.000 0.506 244 A N 0.917 123.646 122.820 -0.151 0.000 1.873 244 A HA 0.305 4.630 4.320 0.007 0.000 0.215 244 A C 2.709 180.270 177.584 -0.038 0.000 1.186 244 A CA 1.686 53.690 52.037 -0.056 0.000 0.616 244 A CB -1.268 17.801 19.000 0.115 0.000 0.823 244 A HN 0.618 nan 8.150 nan 0.000 0.442 245 A N -0.358 122.454 122.820 -0.013 0.000 2.015 245 A HA -0.116 4.208 4.320 0.007 0.000 0.219 245 A C 1.889 179.460 177.584 -0.022 0.000 1.163 245 A CA 1.562 53.605 52.037 0.010 0.000 0.646 245 A CB -0.403 18.613 19.000 0.027 0.000 0.806 245 A HN 0.660 nan 8.150 nan 0.000 0.448 246 E N -0.456 119.699 120.200 -0.074 0.000 2.051 246 E HA -0.101 4.253 4.350 0.007 0.000 0.189 246 E C 2.284 178.790 176.600 -0.157 0.000 0.979 246 E CA 0.715 57.054 56.400 -0.102 0.000 0.803 246 E CB -0.143 29.491 29.700 -0.111 0.000 0.761 246 E HN 0.540 nan 8.360 nan 0.000 0.451 247 R N 0.773 121.153 120.500 -0.199 0.000 2.092 247 R HA -0.050 4.294 4.340 0.007 0.000 0.231 247 R C 2.353 178.578 176.300 -0.126 0.000 1.119 247 R CA 1.021 56.987 56.100 -0.223 0.000 0.970 247 R CB -0.288 29.846 30.300 -0.277 0.000 0.864 247 R HN 0.082 nan 8.270 nan 0.000 0.440 248 A N 1.591 124.384 122.820 -0.044 0.000 1.877 248 A HA -0.083 4.241 4.320 0.007 0.000 0.216 248 A C 2.421 180.095 177.584 0.150 0.000 1.186 248 A CA 1.626 53.703 52.037 0.068 0.000 0.620 248 A CB -0.616 18.442 19.000 0.097 0.000 0.822 248 A HN 0.373 nan 8.150 nan 0.000 0.443 249 A N -0.323 122.533 122.820 0.060 0.000 1.902 249 A HA -0.015 4.310 4.320 0.007 0.000 0.217 249 A C 2.147 179.699 177.584 -0.054 0.000 1.181 249 A CA 1.464 53.537 52.037 0.060 0.000 0.623 249 A CB -0.611 18.397 19.000 0.013 0.000 0.818 249 A HN 0.462 nan 8.150 nan 0.000 0.443 250 L N -1.881 119.187 121.223 -0.259 0.000 2.201 250 L HA -0.127 4.218 4.340 0.007 0.000 0.212 250 L C 2.420 178.845 176.870 -0.741 0.000 1.105 250 L CA 1.268 55.703 54.840 -0.674 0.000 0.775 250 L CB -0.489 40.967 42.059 -1.004 0.000 0.913 250 L HN 0.553 nan 8.230 nan 0.000 0.440 251 F N -0.058 119.572 119.950 -0.533 0.000 2.102 251 F HA -0.244 4.287 4.527 0.007 0.000 0.298 251 F C 1.989 177.486 175.800 -0.504 0.000 1.105 251 F CA 1.599 59.296 58.000 -0.505 0.000 1.239 251 F CB -0.351 38.309 39.000 -0.567 0.000 0.991 251 F HN -0.037 nan 8.300 nan 0.000 0.474 252 W N 0.552 121.848 121.300 -0.007 0.000 2.409 252 W HA -0.013 4.651 4.660 0.007 0.000 0.299 252 W C 2.809 179.198 176.519 -0.216 0.000 1.203 252 W CA 1.345 58.619 57.345 -0.119 0.000 1.298 252 W CB -0.610 28.795 29.460 -0.093 0.000 1.127 252 W HN -0.116 nan 8.180 nan 0.000 0.528 253 R N -0.257 120.244 120.500 0.002 0.000 2.083 253 R HA -0.208 4.136 4.340 0.007 0.000 0.237 253 R C 1.940 178.319 176.300 0.132 0.000 1.137 253 R CA 2.154 58.279 56.100 0.043 0.000 0.951 253 R CB -0.725 29.583 30.300 0.013 0.000 0.851 253 R HN 0.139 nan 8.270 nan 0.000 0.434 254 W N 0.177 121.395 121.300 -0.136 0.000 2.425 254 W HA 0.003 4.667 4.660 0.007 0.000 0.277 254 W C 2.124 178.494 176.519 -0.249 0.000 1.231 254 W CA 0.968 58.206 57.345 -0.179 0.000 1.248 254 W CB -0.975 28.358 29.460 -0.212 0.000 1.117 254 W HN 0.146 nan 8.180 nan 0.000 0.568 255 T N 0.538 114.983 114.554 -0.182 0.000 2.814 255 T HA -0.086 4.269 4.350 0.007 0.000 0.254 255 T C 1.625 176.287 174.700 -0.063 0.000 1.037 255 T CA 1.632 63.569 62.100 -0.272 0.000 1.143 255 T CB -0.277 68.197 68.868 -0.658 0.000 0.866 255 T HN 0.177 nan 8.240 nan 0.000 0.431 256 M N -0.478 119.129 119.600 0.012 0.000 2.496 256 M HA 0.604 5.088 4.480 0.007 0.000 0.330 256 M C 1.239 177.663 176.300 0.208 0.000 1.133 256 M CA 0.090 55.449 55.300 0.098 0.000 0.964 256 M CB 0.741 33.396 32.600 0.092 0.000 1.401 256 M HN 0.310 nan 8.290 nan 0.000 0.520 257 G N 2.009 110.921 108.800 0.187 0.000 2.234 257 G HA2 -0.298 3.666 3.960 0.007 0.000 0.260 257 G HA3 -0.298 3.666 3.960 0.007 0.000 0.260 257 G C -0.094 175.044 174.900 0.397 0.000 0.987 257 G CA 0.668 45.931 45.100 0.273 0.000 0.625 257 G HN 0.843 nan 8.290 nan 0.000 0.532 258 F N -0.560 119.447 119.950 0.095 0.000 2.789 258 F HA 0.755 5.286 4.527 0.007 0.000 0.319 258 F C -0.594 175.269 175.800 0.105 0.000 1.168 258 F CA -0.764 57.288 58.000 0.087 0.000 0.934 258 F CB 0.784 39.824 39.000 0.066 0.000 1.375 258 F HN 0.494 nan 8.300 nan 0.000 0.480 259 N N 0.502 119.265 118.700 0.106 0.000 3.364 259 N HA 0.808 5.553 4.740 0.007 0.000 0.294 259 N C -1.795 173.773 175.510 0.097 0.000 1.562 259 N CA -0.588 52.455 53.050 -0.011 0.000 0.862 259 N CB 1.486 40.014 38.487 0.069 0.000 1.691 259 N HN 1.062 nan 8.380 nan 0.000 0.572 260 A N -0.916 121.942 122.820 0.063 0.000 2.486 260 A HA 0.897 5.222 4.320 0.007 0.000 0.277 260 A C -0.651 177.000 177.584 0.111 0.000 1.282 260 A CA -0.072 52.048 52.037 0.139 0.000 0.784 260 A CB 0.635 19.705 19.000 0.117 0.000 1.350 260 A HN 1.070 nan 8.150 nan 0.000 0.454 261 T N -3.395 111.230 114.554 0.119 0.000 2.942 261 T HA 0.453 4.808 4.350 0.007 0.000 0.289 261 T C 0.831 175.587 174.700 0.093 0.000 1.044 261 T CA -0.083 62.073 62.100 0.094 0.000 1.023 261 T CB 1.103 70.024 68.868 0.089 0.000 1.123 261 T HN 0.565 nan 8.240 nan 0.000 0.512 262 M N 0.573 120.233 119.600 0.101 0.000 2.202 262 M HA -0.022 4.462 4.480 0.007 0.000 0.262 262 M C 1.995 178.420 176.300 0.209 0.000 1.063 262 M CA 1.895 57.281 55.300 0.143 0.000 1.097 262 M CB -0.869 31.811 32.600 0.133 0.000 1.382 262 M HN 0.927 nan 8.290 nan 0.000 0.413 263 E N -1.502 118.791 120.200 0.155 0.000 2.057 263 E HA -0.011 4.344 4.350 0.007 0.000 0.190 263 E C 2.062 178.754 176.600 0.153 0.000 0.969 263 E CA 0.955 57.458 56.400 0.170 0.000 0.812 263 E CB -0.732 29.018 29.700 0.082 0.000 0.777 263 E HN 0.489 nan 8.360 nan 0.000 0.455 264 G N 1.786 110.649 108.800 0.105 0.000 2.505 264 G HA2 -0.331 3.633 3.960 0.007 0.000 0.220 264 G HA3 -0.331 3.633 3.960 0.007 0.000 0.220 264 G C 1.564 176.542 174.900 0.131 0.000 1.145 264 G CA 1.168 46.327 45.100 0.097 0.000 0.761 264 G HN 0.398 nan 8.290 nan 0.000 0.571 265 I N 0.646 121.258 120.570 0.071 0.000 2.335 265 I HA -0.160 4.014 4.170 0.007 0.000 0.251 265 I C 2.297 178.254 176.117 -0.267 0.000 1.129 265 I CA 1.316 62.573 61.300 -0.073 0.000 1.402 265 I CB -0.400 37.399 38.000 -0.335 0.000 1.069 265 I HN 0.339 nan 8.210 nan 0.000 0.424 266 H N -0.685 118.335 119.070 -0.083 0.000 2.529 266 H HA 0.102 4.662 4.556 0.007 0.000 0.277 266 H C 2.230 177.529 175.328 -0.048 0.000 0.999 266 H CA 0.787 56.758 56.048 -0.129 0.000 1.256 266 H CB -0.001 29.682 29.762 -0.132 0.000 1.402 266 H HN 0.283 nan 8.280 nan 0.000 0.566 267 R N -0.641 119.913 120.500 0.091 0.000 2.080 267 R HA -0.087 4.257 4.340 0.007 0.000 0.222 267 R C 1.437 177.843 176.300 0.177 0.000 1.107 267 R CA 1.062 57.232 56.100 0.116 0.000 0.980 267 R CB -0.202 30.132 30.300 0.058 0.000 0.879 267 R HN 0.358 nan 8.270 nan 0.000 0.439 268 W N 1.100 122.448 121.300 0.081 0.000 2.338 268 W HA -0.182 4.483 4.660 0.007 0.000 0.304 268 W C 2.537 179.085 176.519 0.048 0.000 1.212 268 W CA 1.377 58.769 57.345 0.078 0.000 1.264 268 W CB -0.312 29.136 29.460 -0.020 0.000 1.142 268 W HN 0.187 nan 8.180 nan 0.000 0.512 269 A N 0.153 123.064 122.820 0.152 0.000 1.858 269 A HA -0.230 4.094 4.320 0.007 0.000 0.216 269 A C 1.924 179.499 177.584 -0.015 0.000 1.190 269 A CA 1.806 53.831 52.037 -0.020 0.000 0.617 269 A CB -1.128 17.739 19.000 -0.221 0.000 0.827 269 A HN 0.343 nan 8.150 nan 0.000 0.443 270 I N -2.038 118.507 120.570 -0.041 0.000 2.264 270 I HA -0.287 3.887 4.170 0.007 0.000 0.248 270 I C 2.310 178.295 176.117 -0.219 0.000 1.111 270 I CA 1.559 62.770 61.300 -0.147 0.000 1.382 270 I CB -0.114 37.762 38.000 -0.206 0.000 1.060 270 I HN 0.621 nan 8.210 nan 0.000 0.418 271 W N -0.104 121.197 121.300 0.001 0.000 2.381 271 W HA -0.214 4.449 4.660 0.006 0.000 0.301 271 W C 2.471 178.967 176.519 -0.038 0.000 1.205 271 W CA 1.027 58.352 57.345 -0.032 0.000 1.285 271 W CB -0.355 29.074 29.460 -0.052 0.000 1.133 271 W HN 0.155 nan 8.180 nan 0.000 0.521 272 M N 0.868 120.625 119.600 0.262 0.000 2.117 272 M HA -0.111 4.374 4.480 0.007 0.000 0.262 272 M C 2.066 178.464 176.300 0.163 0.000 1.065 272 M CA 2.423 57.886 55.300 0.273 0.000 1.114 272 M CB -0.739 32.029 32.600 0.281 0.000 1.361 272 M HN -0.049 nan 8.290 nan 0.000 0.408 273 A N -1.185 121.683 122.820 0.081 0.000 1.872 273 A HA -0.042 4.282 4.320 0.007 0.000 0.214 273 A C 2.178 179.771 177.584 0.015 0.000 1.187 273 A CA 1.677 53.748 52.037 0.057 0.000 0.614 273 A CB -1.194 17.820 19.000 0.023 0.000 0.826 273 A HN 0.351 nan 8.150 nan 0.000 0.442 274 V N 0.282 120.161 119.914 -0.058 0.000 2.490 274 V HA -0.211 3.913 4.120 0.007 0.000 0.250 274 V C 2.411 178.457 176.094 -0.079 0.000 1.061 274 V CA 1.743 63.989 62.300 -0.090 0.000 1.064 274 V CB -0.578 31.095 31.823 -0.251 0.000 0.670 274 V HN 0.564 nan 8.190 nan 0.000 0.461 275 L N -0.851 120.269 121.223 -0.171 0.000 2.456 275 L HA -0.098 4.247 4.340 0.007 0.000 0.224 275 L C 2.265 179.009 176.870 -0.211 0.000 1.148 275 L CA 0.435 55.053 54.840 -0.371 0.000 0.825 275 L CB -0.456 40.919 42.059 -1.141 0.000 0.937 275 L HN 0.221 nan 8.230 nan 0.000 0.450 276 V N -0.033 119.873 119.914 -0.013 0.000 2.237 276 V HA -0.295 3.830 4.120 0.007 0.000 0.245 276 V C 2.624 178.797 176.094 0.132 0.000 1.046 276 V CA 2.576 64.963 62.300 0.146 0.000 1.007 276 V CB -0.955 30.954 31.823 0.144 0.000 0.638 276 V HN 0.644 nan 8.190 nan 0.000 0.445 277 T N -2.161 112.465 114.554 0.120 0.000 3.055 277 T HA -0.015 4.339 4.350 0.007 0.000 0.265 277 T C 1.785 176.648 174.700 0.271 0.000 1.111 277 T CA 0.641 62.840 62.100 0.164 0.000 1.118 277 T CB -0.157 68.806 68.868 0.158 0.000 0.909 277 T HN 0.175 nan 8.240 nan 0.000 0.501 278 L N 2.625 123.976 121.223 0.212 0.000 2.023 278 L HA 0.031 4.375 4.340 0.007 0.000 0.205 278 L C 3.011 180.045 176.870 0.273 0.000 1.073 278 L CA 2.215 57.192 54.840 0.228 0.000 0.745 278 L CB -1.184 40.906 42.059 0.050 0.000 0.900 278 L HN 0.554 nan 8.230 nan 0.000 0.435 279 T N -4.189 110.501 114.554 0.228 0.000 2.857 279 T HA -0.045 4.309 4.350 0.007 0.000 0.266 279 T C 1.978 176.840 174.700 0.270 0.000 1.048 279 T CA 0.784 63.076 62.100 0.320 0.000 1.139 279 T CB -1.200 67.931 68.868 0.438 0.000 0.874 279 T HN 0.311 nan 8.240 nan 0.000 0.455 280 G N 1.632 110.559 108.800 0.213 0.000 2.459 280 G HA2 0.002 3.966 3.960 0.007 0.000 0.217 280 G HA3 0.002 3.966 3.960 0.007 0.000 0.217 280 G C 1.777 176.727 174.900 0.084 0.000 1.183 280 G CA 0.733 45.912 45.100 0.131 0.000 0.776 280 G HN 0.655 nan 8.290 nan 0.000 0.552 281 G N 0.740 109.600 108.800 0.100 0.000 2.450 281 G HA2 -0.178 3.786 3.960 0.007 0.000 0.220 281 G HA3 -0.178 3.786 3.960 0.007 0.000 0.220 281 G C 1.770 176.674 174.900 0.006 0.000 1.130 281 G CA 0.839 45.856 45.100 -0.138 0.000 0.760 281 G HN 0.465 nan 8.290 nan 0.000 0.557 282 I N 0.945 121.633 120.570 0.197 0.000 2.233 282 I HA -0.037 4.138 4.170 0.007 0.000 0.243 282 I C 3.057 179.088 176.117 -0.143 0.000 1.093 282 I CA 0.959 62.253 61.300 -0.011 0.000 1.380 282 I CB -0.390 37.393 38.000 -0.362 0.000 1.067 282 I HN 0.243 nan 8.210 nan 0.000 0.413 283 G N 1.037 109.789 108.800 -0.079 0.000 2.448 283 G HA2 -0.162 3.802 3.960 0.007 0.000 0.219 283 G HA3 -0.162 3.802 3.960 0.007 0.000 0.219 283 G C 1.556 176.528 174.900 0.120 0.000 1.127 283 G CA 0.383 45.512 45.100 0.048 0.000 0.766 283 G HN 0.195 nan 8.290 nan 0.000 0.552 284 I N 0.127 120.730 120.570 0.054 0.000 2.480 284 I HA 0.066 4.240 4.170 0.007 0.000 0.251 284 I C 2.452 178.627 176.117 0.097 0.000 1.124 284 I CA 0.445 61.779 61.300 0.056 0.000 1.444 284 I CB -0.720 37.218 38.000 -0.104 0.000 1.098 284 I HN 0.151 nan 8.210 nan 0.000 0.428 285 L N 0.529 121.762 121.223 0.018 0.000 2.141 285 L HA -0.108 4.237 4.340 0.007 0.000 0.209 285 L C 2.077 178.997 176.870 0.083 0.000 1.094 285 L CA 1.563 56.415 54.840 0.021 0.000 0.763 285 L CB -0.483 41.567 42.059 -0.016 0.000 0.908 285 L HN 0.054 nan 8.230 nan 0.000 0.437 286 L N -0.877 120.420 121.223 0.124 0.000 2.313 286 L HA 0.082 4.427 4.340 0.007 0.000 0.214 286 L C 1.109 178.073 176.870 0.156 0.000 1.119 286 L CA 0.669 55.599 54.840 0.150 0.000 0.809 286 L CB -0.824 41.378 42.059 0.238 0.000 0.933 286 L HN 0.114 nan 8.230 nan 0.000 0.449 287 S N -0.294 115.560 115.700 0.256 0.000 2.455 287 S HA 0.454 4.929 4.470 0.007 0.000 0.278 287 S C 1.211 175.872 174.600 0.100 0.000 1.216 287 S CA 0.249 58.555 58.200 0.178 0.000 1.055 287 S CB 0.577 63.912 63.200 0.226 0.000 0.939 287 S HN 0.568 nan 8.310 nan 0.000 0.494 288 G N 2.947 111.825 108.800 0.130 0.000 2.253 288 G HA2 -0.353 3.611 3.960 0.007 0.000 0.251 288 G HA3 -0.353 3.611 3.960 0.007 0.000 0.251 288 G C 1.012 175.921 174.900 0.016 0.000 0.998 288 G CA 0.941 46.112 45.100 0.117 0.000 0.621 288 G HN 0.827 nan 8.290 nan 0.000 0.524 289 T N -2.805 111.757 114.554 0.013 0.000 3.004 289 T HA 0.403 4.758 4.350 0.007 0.000 0.243 289 T C 2.063 176.745 174.700 -0.030 0.000 1.020 289 T CA 1.916 64.013 62.100 -0.005 0.000 1.145 289 T CB 0.147 69.024 68.868 0.015 0.000 0.876 289 T HN 0.597 nan 8.240 nan 0.000 0.449 290 V N 0.394 120.279 119.914 -0.048 0.000 3.455 290 V HA 0.410 4.534 4.120 0.007 0.000 0.250 290 V C 0.225 176.231 176.094 -0.146 0.000 1.230 290 V CA -0.027 62.235 62.300 -0.064 0.000 1.105 290 V CB 1.174 32.981 31.823 -0.027 0.000 0.850 290 V HN 0.353 nan 8.190 nan 0.000 0.461 291 V N 0.894 120.636 119.914 -0.287 0.000 2.483 291 V HA 0.410 4.535 4.120 0.007 0.000 0.297 291 V C 0.096 175.938 176.094 -0.420 0.000 1.027 291 V CA -0.459 61.541 62.300 -0.501 0.000 0.855 291 V CB 1.788 32.850 31.823 -1.268 0.000 0.995 291 V HN 0.252 nan 8.190 nan 0.000 0.424 292 D N 2.178 122.409 120.400 -0.282 0.000 2.240 292 D HA 0.034 4.679 4.640 0.007 0.000 0.206 292 D C 0.603 176.761 176.300 -0.238 0.000 0.963 292 D CA 0.914 54.778 54.000 -0.226 0.000 0.863 292 D CB 0.463 41.156 40.800 -0.179 0.000 0.973 292 D HN 0.479 nan 8.370 nan 0.000 0.501 293 N N -0.424 118.137 118.700 -0.231 0.000 2.549 293 N HA 0.020 4.764 4.740 0.007 0.000 0.281 293 N C -0.032 175.463 175.510 -0.024 0.000 1.084 293 N CA -0.410 52.590 53.050 -0.085 0.000 0.862 293 N CB 0.680 39.167 38.487 -0.001 0.000 1.333 293 N HN -0.089 nan 8.380 nan 0.000 0.523 294 W N 1.923 123.347 121.300 0.207 0.000 2.363 294 W HA -0.159 4.504 4.660 0.004 0.000 0.296 294 W C 1.854 178.548 176.519 0.290 0.000 1.212 294 W CA 0.560 58.072 57.345 0.277 0.000 1.260 294 W CB -0.257 29.365 29.460 0.271 0.000 1.131 294 W HN 0.681 nan 8.180 nan 0.000 0.530 295 Y N 0.728 121.174 120.300 0.244 0.000 2.145 295 Y HA -0.290 4.268 4.550 0.013 0.000 0.286 295 Y C 2.193 178.037 175.900 -0.094 0.000 1.145 295 Y CA 2.099 60.042 58.100 -0.261 0.000 1.148 295 Y CB -0.901 37.357 38.460 -0.337 0.000 0.981 295 Y HN -0.214 nan 8.280 nan 0.000 0.507 296 V N -0.313 119.575 119.914 -0.045 0.000 2.287 296 V HA -0.314 3.811 4.120 0.007 0.000 0.248 296 V C 2.134 178.177 176.094 -0.086 0.000 1.053 296 V CA 2.102 64.326 62.300 -0.128 0.000 1.027 296 V CB -1.150 30.681 31.823 0.015 0.000 0.646 296 V HN 0.745 nan 8.190 nan 0.000 0.447 297 W N 1.436 122.669 121.300 -0.112 0.000 2.335 297 W HA -0.110 4.553 4.660 0.005 0.000 0.311 297 W C 2.279 178.793 176.519 -0.008 0.000 1.213 297 W CA 1.830 59.145 57.345 -0.051 0.000 1.274 297 W CB -0.638 28.806 29.460 -0.025 0.000 1.148 297 W HN 0.231 nan 8.180 nan 0.000 0.498 298 G N -0.578 108.337 108.800 0.191 0.000 2.509 298 G HA2 -0.274 3.691 3.960 0.007 0.000 0.218 298 G HA3 -0.274 3.691 3.960 0.007 0.000 0.218 298 G C 1.287 176.021 174.900 -0.276 0.000 1.124 298 G CA 1.002 46.075 45.100 -0.045 0.000 0.776 298 G HN 0.351 nan 8.290 nan 0.000 0.547 299 Q N 0.696 120.279 119.800 -0.362 0.000 2.187 299 Q HA 0.065 4.410 4.340 0.007 0.000 0.199 299 Q C 0.989 176.817 176.000 -0.287 0.000 0.957 299 Q CA 1.159 56.735 55.803 -0.378 0.000 0.857 299 Q CB -0.018 28.418 28.738 -0.504 0.000 0.929 299 Q HN 0.766 nan 8.270 nan 0.000 0.453 300 N N 0.000 118.512 118.700 -0.314 0.000 1.763 300 N HA 0.000 4.744 4.740 0.007 0.000 0.220 300 N CA 0.000 52.883 53.050 -0.278 0.000 0.885 300 N CB 0.000 38.373 38.487 -0.190 0.000 1.341 300 N HN 0.000 nan 8.380 nan 0.000 0.667