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 1mc4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVGLVGWRG MVGSVLMQRM VEERDFDLIE PVFFSTSQIG VPAPNFGKDA DATA SEQUENCE GMLHDAFDIE SLKQLDAVIT CQGGSYTEKV YPALRQAGWK GYWIDAASTL DATA SEQUENCE RMDKEAIITL DPVNLKQILH GIHHGTKTFV GGNCTVSLML MALGGLYERG DATA SEQUENCE LVEWMSAMTY QAASGAGAQN MRELISQMGV INDAVSSELA NPASSILDID DATA SEQUENCE KKVAETMRSG SFPTDNFGVP LAGSLIPWID VKRDNGQSKE EWKAGVEANK DATA SEQUENCE ILGLQDSPVP IDGTCVRIGA MRCHSQALTI KLKQNIPLDE IEEMIATHND DATA SEQUENCE WVKVIPNERD ITARELTPAK VTGTLSVPVG RLRKMAMGDD FLNAFTVGDQ DATA SEQUENCE LLWGAAEPLR RTLRIILAE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.331 176.300 0.052 0.000 1.140 1 M CA 0.000 55.329 55.300 0.049 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 R N 3.486 124.026 120.500 0.067 0.000 2.248 2 R HA 0.545 4.885 4.340 0.000 0.000 0.337 2 R C -1.355 174.994 176.300 0.082 0.000 1.085 2 R CA -0.128 56.011 56.100 0.066 0.000 0.934 2 R CB 0.687 31.031 30.300 0.073 0.000 1.034 2 R HN 0.518 nan 8.270 nan 0.000 0.465 3 V N 2.839 122.779 119.914 0.043 0.000 2.417 3 V HA 0.456 4.576 4.120 0.000 0.000 0.291 3 V C 0.654 176.732 176.094 -0.026 0.000 1.024 3 V CA -0.891 61.425 62.300 0.025 0.000 0.861 3 V CB 1.812 33.634 31.823 -0.003 0.000 0.985 3 V HN 0.841 nan 8.190 nan 0.000 0.436 4 G N 4.834 113.619 108.800 -0.026 0.000 2.371 4 G HA2 0.667 4.627 3.960 0.000 0.000 0.326 4 G HA3 0.667 4.627 3.960 0.000 0.000 0.326 4 G C -0.991 173.849 174.900 -0.101 0.000 1.127 4 G CA -0.555 44.533 45.100 -0.020 0.000 0.885 4 G HN 0.438 nan 8.290 nan 0.000 0.477 5 L N 1.903 123.095 121.223 -0.053 0.000 2.322 5 L HA 0.592 4.932 4.340 0.000 0.000 0.281 5 L C -0.310 176.718 176.870 0.263 0.000 1.014 5 L CA -0.871 53.979 54.840 0.017 0.000 0.815 5 L CB 1.298 43.328 42.059 -0.049 0.000 1.247 5 L HN 0.180 nan 8.230 nan 0.000 0.421 6 V N 0.493 120.491 119.914 0.140 0.000 2.735 6 V HA 0.698 4.818 4.120 0.000 0.000 0.310 6 V C 0.735 176.826 176.094 -0.005 0.000 1.061 6 V CA -0.192 62.158 62.300 0.083 0.000 0.913 6 V CB 1.648 33.336 31.823 -0.226 0.000 1.005 6 V HN 1.003 nan 8.190 nan 0.000 0.428 7 G N 2.446 111.172 108.800 -0.124 0.000 2.160 7 G HA2 -0.240 3.720 3.960 0.000 0.000 0.251 7 G HA3 -0.240 3.720 3.960 0.000 0.000 0.251 7 G C 0.568 175.418 174.900 -0.083 0.000 1.008 7 G CA 0.662 45.642 45.100 -0.200 0.000 0.724 7 G HN 1.131 nan 8.290 nan 0.000 0.514 8 W N -0.580 120.746 121.300 0.044 0.000 2.595 8 W HA 0.118 4.778 4.660 0.000 0.000 0.257 8 W C 1.519 178.098 176.519 0.100 0.000 1.267 8 W CA 0.780 58.190 57.345 0.109 0.000 1.300 8 W CB -0.472 29.152 29.460 0.274 0.000 1.120 8 W HN 0.365 nan 8.180 nan 0.000 0.618 9 R N 1.539 121.722 120.500 -0.529 0.000 2.276 9 R HA 0.202 4.542 4.340 0.000 0.000 0.196 9 R C 1.703 177.890 176.300 -0.189 0.000 0.961 9 R CA 0.815 56.653 56.100 -0.437 0.000 1.024 9 R CB -0.521 29.265 30.300 -0.856 0.000 0.940 9 R HN 0.052 nan 8.270 nan 0.000 0.480 10 G N 0.083 108.783 108.800 -0.166 0.000 2.593 10 G HA2 -0.124 3.836 3.960 0.000 0.000 0.279 10 G HA3 -0.124 3.836 3.960 0.000 0.000 0.279 10 G C 0.668 175.545 174.900 -0.039 0.000 1.329 10 G CA -0.005 45.037 45.100 -0.097 0.000 1.036 10 G HN 0.329 nan 8.290 nan 0.000 0.555 11 M N -0.962 118.620 119.600 -0.029 0.000 2.098 11 M HA -0.055 4.425 4.480 0.000 0.000 0.262 11 M C 2.421 178.718 176.300 -0.006 0.000 1.072 11 M CA 1.447 56.739 55.300 -0.012 0.000 1.133 11 M CB -0.267 32.326 32.600 -0.011 0.000 1.344 11 M HN 0.240 nan 8.290 nan 0.000 0.414 12 V N 0.666 120.574 119.914 -0.009 0.000 2.307 12 V HA -0.159 3.961 4.120 0.000 0.000 0.245 12 V C 2.643 178.738 176.094 0.002 0.000 1.045 12 V CA 2.071 64.364 62.300 -0.011 0.000 1.024 12 V CB -1.643 30.174 31.823 -0.011 0.000 0.651 12 V HN 0.754 nan 8.190 nan 0.000 0.449 13 G N -0.377 108.434 108.800 0.018 0.000 2.503 13 G HA2 -0.301 3.659 3.960 0.000 0.000 0.221 13 G HA3 -0.301 3.659 3.960 0.000 0.000 0.221 13 G C 1.803 176.771 174.900 0.113 0.000 1.131 13 G CA 1.517 46.663 45.100 0.077 0.000 0.756 13 G HN 0.538 nan 8.290 nan 0.000 0.572 14 S N -0.267 115.481 115.700 0.080 0.000 2.371 14 S HA -0.062 4.408 4.470 0.000 0.000 0.224 14 S C 2.500 177.121 174.600 0.034 0.000 1.029 14 S CA 1.022 59.277 58.200 0.092 0.000 0.978 14 S CB -0.215 63.028 63.200 0.073 0.000 0.833 14 S HN 0.204 nan 8.310 nan 0.000 0.466 15 V N 2.293 122.206 119.914 -0.002 0.000 2.343 15 V HA -0.137 3.983 4.120 0.000 0.000 0.247 15 V C 2.283 178.334 176.094 -0.071 0.000 1.051 15 V CA 1.362 63.638 62.300 -0.041 0.000 1.036 15 V CB -0.746 31.040 31.823 -0.062 0.000 0.654 15 V HN 0.342 nan 8.190 nan 0.000 0.451 16 L N -0.336 120.853 121.223 -0.058 0.000 2.013 16 L HA -0.204 4.136 4.340 0.000 0.000 0.212 16 L C 2.342 179.146 176.870 -0.111 0.000 1.073 16 L CA 2.230 57.018 54.840 -0.086 0.000 0.753 16 L CB -0.632 41.403 42.059 -0.039 0.000 0.890 16 L HN 0.190 nan 8.230 nan 0.000 0.432 17 M N -1.161 118.393 119.600 -0.076 0.000 2.077 17 M HA -0.212 4.269 4.480 0.000 0.000 0.261 17 M C 2.267 178.454 176.300 -0.187 0.000 1.070 17 M CA 1.743 56.927 55.300 -0.193 0.000 1.125 17 M CB -1.461 30.920 32.600 -0.364 0.000 1.339 17 M HN 0.477 nan 8.290 nan 0.000 0.409 18 Q N 0.326 120.065 119.800 -0.103 0.000 2.118 18 Q HA -0.233 4.107 4.340 0.000 0.000 0.211 18 Q C 2.176 178.131 176.000 -0.075 0.000 0.998 18 Q CA 1.789 57.561 55.803 -0.053 0.000 0.872 18 Q CB -0.003 28.720 28.738 -0.025 0.000 0.925 18 Q HN 0.331 nan 8.270 nan 0.000 0.414 19 R N -0.266 120.162 120.500 -0.119 0.000 2.092 19 R HA -0.038 4.302 4.340 0.000 0.000 0.231 19 R C 2.223 178.411 176.300 -0.187 0.000 1.119 19 R CA 1.263 57.272 56.100 -0.151 0.000 0.970 19 R CB -0.480 29.702 30.300 -0.197 0.000 0.864 19 R HN 0.465 nan 8.270 nan 0.000 0.440 20 M N 0.095 119.539 119.600 -0.260 0.000 2.229 20 M HA -0.126 4.354 4.480 0.000 0.000 0.264 20 M C 2.200 178.309 176.300 -0.319 0.000 1.063 20 M CA 1.202 56.234 55.300 -0.447 0.000 1.114 20 M CB -0.092 32.008 32.600 -0.833 0.000 1.387 20 M HN -0.123 nan 8.290 nan 0.000 0.420 21 V N 0.291 120.160 119.914 -0.075 0.000 2.307 21 V HA -0.232 3.888 4.120 0.000 0.000 0.245 21 V C 1.949 178.064 176.094 0.036 0.000 1.045 21 V CA 1.839 64.210 62.300 0.119 0.000 1.024 21 V CB -0.778 31.139 31.823 0.156 0.000 0.651 21 V HN 0.477 nan 8.190 nan 0.000 0.449 22 E N -0.024 120.167 120.200 -0.015 0.000 2.110 22 E HA -0.184 4.166 4.350 0.000 0.000 0.193 22 E C 1.861 178.443 176.600 -0.030 0.000 0.988 22 E CA 1.075 57.465 56.400 -0.016 0.000 0.804 22 E CB -0.064 29.618 29.700 -0.030 0.000 0.745 22 E HN 0.555 nan 8.360 nan 0.000 0.458 23 E N 0.167 120.323 120.200 -0.073 0.000 2.465 23 E HA 0.037 4.388 4.350 0.000 0.000 0.191 23 E C -0.030 176.528 176.600 -0.070 0.000 1.053 23 E CA -0.047 56.309 56.400 -0.073 0.000 0.869 23 E CB 0.456 30.092 29.700 -0.106 0.000 0.977 23 E HN 0.134 nan 8.360 nan 0.000 0.483 24 R N 0.061 120.530 120.500 -0.052 0.000 3.875 24 R HA -0.190 4.150 4.340 0.000 0.000 0.321 24 R C 0.152 176.409 176.300 -0.072 0.000 1.196 24 R CA 0.929 57.021 56.100 -0.013 0.000 0.868 24 R CB -2.569 27.735 30.300 0.008 0.000 1.333 24 R HN 0.210 nan 8.270 nan 0.000 0.522 25 D N 0.104 120.376 120.400 -0.214 0.000 2.190 25 D HA -0.132 4.508 4.640 0.000 0.000 0.200 25 D C 1.441 177.588 176.300 -0.255 0.000 0.992 25 D CA 1.275 55.097 54.000 -0.295 0.000 0.854 25 D CB -0.310 40.206 40.800 -0.474 0.000 0.936 25 D HN 0.469 nan 8.370 nan 0.000 0.462 26 F N 0.262 120.200 119.950 -0.019 0.000 2.722 26 F HA -0.021 4.506 4.527 0.000 0.000 0.298 26 F C 1.106 176.914 175.800 0.013 0.000 1.175 26 F CA 0.272 58.276 58.000 0.007 0.000 1.462 26 F CB 0.057 39.091 39.000 0.057 0.000 1.111 26 F HN -0.130 nan 8.300 nan 0.000 0.592 27 D N -0.475 119.997 120.400 0.120 0.000 2.349 27 D HA 0.128 4.768 4.640 0.000 0.000 0.214 27 D C 1.189 177.517 176.300 0.046 0.000 1.063 27 D CA 0.561 54.611 54.000 0.082 0.000 0.847 27 D CB 0.184 41.017 40.800 0.056 0.000 0.933 27 D HN 0.270 nan 8.370 nan 0.000 0.513 28 L N 0.204 121.444 121.223 0.029 0.000 3.135 28 L HA 0.377 4.717 4.340 0.000 0.000 0.279 28 L C 0.003 176.883 176.870 0.017 0.000 1.200 28 L CA -0.194 54.653 54.840 0.012 0.000 1.016 28 L CB 0.135 42.185 42.059 -0.016 0.000 1.391 28 L HN -0.060 nan 8.230 nan 0.000 0.588 29 I N -3.524 117.071 120.570 0.041 0.000 2.802 29 I HA 0.441 4.611 4.170 0.000 0.000 0.298 29 I C -0.836 175.323 176.117 0.070 0.000 1.176 29 I CA -0.661 60.666 61.300 0.044 0.000 1.025 29 I CB 2.585 40.600 38.000 0.026 0.000 1.243 29 I HN -0.057 nan 8.210 nan 0.000 0.424 30 E N 6.688 126.918 120.200 0.050 0.000 2.001 30 E HA 0.375 4.725 4.350 0.000 0.000 0.279 30 E C -2.434 174.179 176.600 0.023 0.000 1.045 30 E CA -1.978 54.448 56.400 0.044 0.000 0.833 30 E CB 0.896 30.618 29.700 0.036 0.000 1.077 30 E HN 0.400 nan 8.360 nan 0.000 0.397 31 P HA 0.102 nan 4.420 nan 0.000 0.279 31 P C -0.802 176.399 177.300 -0.164 0.000 1.239 31 P CA -0.378 62.653 63.100 -0.115 0.000 0.789 31 P CB 1.495 33.126 31.700 -0.114 0.000 0.933 32 V N 3.820 123.573 119.914 -0.268 0.000 2.569 32 V HA 0.329 4.449 4.120 0.000 0.000 0.301 32 V C -0.285 175.701 176.094 -0.181 0.000 1.044 32 V CA -0.403 61.820 62.300 -0.128 0.000 0.874 32 V CB 1.123 32.933 31.823 -0.023 0.000 1.002 32 V HN 0.359 nan 8.190 nan 0.000 0.424 33 F N 4.217 124.165 119.950 -0.003 0.000 2.399 33 F HA 0.717 5.244 4.527 0.000 0.000 0.334 33 F C -0.191 175.694 175.800 0.142 0.000 1.097 33 F CA -0.425 57.583 58.000 0.014 0.000 1.076 33 F CB 1.252 40.031 39.000 -0.368 0.000 1.162 33 F HN 0.284 nan 8.300 nan 0.000 0.495 34 F N 1.012 121.264 119.950 0.504 0.000 2.520 34 F HA 0.602 5.129 4.527 0.000 0.000 0.322 34 F C 0.034 176.055 175.800 0.368 0.000 1.103 34 F CA -0.708 57.520 58.000 0.381 0.000 0.926 34 F CB 2.060 41.164 39.000 0.173 0.000 1.154 34 F HN 0.440 nan 8.300 nan 0.000 0.453 35 S N -0.721 115.175 115.700 0.327 0.000 2.661 35 S HA 0.658 5.128 4.470 0.000 0.000 0.285 35 S C 0.041 174.712 174.600 0.118 0.000 1.138 35 S CA 0.055 58.338 58.200 0.138 0.000 0.855 35 S CB 1.774 65.043 63.200 0.116 0.000 1.136 35 S HN 0.688 nan 8.310 nan 0.000 0.484 36 T N -2.747 111.854 114.554 0.078 0.000 2.975 36 T HA 0.216 4.566 4.350 0.000 0.000 0.261 36 T C 1.362 176.149 174.700 0.144 0.000 0.984 36 T CA 0.610 62.821 62.100 0.184 0.000 0.911 36 T CB -0.436 68.574 68.868 0.236 0.000 1.127 36 T HN 0.724 nan 8.240 nan 0.000 0.514 37 S N 1.772 117.512 115.700 0.067 0.000 2.483 37 S HA 0.152 4.622 4.470 0.000 0.000 0.221 37 S C 0.910 175.527 174.600 0.028 0.000 1.030 37 S CA -0.339 57.884 58.200 0.039 0.000 0.925 37 S CB -0.341 62.860 63.200 0.001 0.000 0.795 37 S HN 0.723 nan 8.310 nan 0.000 0.511 38 Q N 1.869 121.686 119.800 0.028 0.000 3.576 38 Q HA 0.348 4.688 4.340 0.000 0.000 0.249 38 Q C -0.221 175.784 176.000 0.009 0.000 0.771 38 Q CA -0.690 55.122 55.803 0.015 0.000 0.897 38 Q CB 0.053 28.793 28.738 0.002 0.000 1.551 38 Q HN 0.445 nan 8.270 nan 0.000 0.388 39 I N -0.717 119.859 120.570 0.011 0.000 3.141 39 I HA 0.195 4.365 4.170 0.000 0.000 0.295 39 I C 1.132 177.215 176.117 -0.057 0.000 1.252 39 I CA 2.501 63.785 61.300 -0.026 0.000 1.406 39 I CB -0.629 37.357 38.000 -0.023 0.000 1.333 39 I HN 0.712 nan 8.210 nan 0.000 0.594 40 G N 3.921 112.653 108.800 -0.113 0.000 2.417 40 G HA2 -0.206 3.755 3.960 0.000 0.000 0.233 40 G HA3 -0.206 3.755 3.960 0.000 0.000 0.233 40 G C 0.402 175.253 174.900 -0.081 0.000 1.103 40 G CA 0.717 45.752 45.100 -0.109 0.000 0.647 40 G HN 1.663 nan 8.290 nan 0.000 0.512 41 V N -0.253 119.630 119.914 -0.053 0.000 3.178 41 V HA 0.519 4.639 4.120 0.000 0.000 0.306 41 V C -1.088 174.976 176.094 -0.051 0.000 1.107 41 V CA -1.168 61.107 62.300 -0.042 0.000 1.195 41 V CB 0.019 31.829 31.823 -0.021 0.000 0.993 41 V HN 0.254 nan 8.190 nan 0.000 0.493 42 P HA 0.262 nan 4.420 nan 0.000 0.269 42 P C -0.277 176.967 177.300 -0.094 0.000 1.211 42 P CA 0.691 63.744 63.100 -0.078 0.000 0.781 42 P CB 0.282 31.930 31.700 -0.086 0.000 0.877 43 A N 2.878 125.614 122.820 -0.139 0.000 2.281 43 A HA 0.678 4.998 4.320 0.000 0.000 0.329 43 A C -2.220 175.076 177.584 -0.480 0.000 1.122 43 A CA -1.530 50.358 52.037 -0.248 0.000 0.850 43 A CB -0.454 18.458 19.000 -0.146 0.000 1.207 43 A HN 0.419 nan 8.150 nan 0.000 0.495 44 P HA 0.161 nan 4.420 nan 0.000 0.272 44 P C -1.097 175.581 177.300 -1.036 0.000 1.230 44 P CA -0.156 62.321 63.100 -1.039 0.000 0.788 44 P CB 0.494 31.296 31.700 -1.496 0.000 0.949 45 N N 0.465 118.633 118.700 -0.887 0.000 2.573 45 N HA 0.276 5.017 4.740 0.000 0.000 0.262 45 N C -0.259 174.856 175.510 -0.657 0.000 1.029 45 N CA -0.476 52.209 53.050 -0.608 0.000 0.882 45 N CB 0.193 38.476 38.487 -0.339 0.000 1.204 45 N HN 0.126 nan 8.380 nan 0.000 0.519 46 F N 1.394 121.134 119.950 -0.349 0.000 2.569 46 F HA 0.358 4.886 4.527 0.000 0.000 0.295 46 F C 1.942 177.670 175.800 -0.121 0.000 1.115 46 F CA 0.718 58.576 58.000 -0.236 0.000 1.450 46 F CB 0.798 39.608 39.000 -0.316 0.000 1.107 46 F HN 0.663 nan 8.300 nan 0.000 0.563 47 G N -0.405 108.388 108.800 -0.012 0.000 3.855 47 G HA2 0.083 4.043 3.960 0.000 0.000 0.212 47 G HA3 0.083 4.043 3.960 0.000 0.000 0.212 47 G C -0.126 174.762 174.900 -0.020 0.000 1.544 47 G CA -0.404 44.709 45.100 0.020 0.000 0.913 47 G HN 0.179 nan 8.290 nan 0.000 0.691 48 K N 0.963 121.344 120.400 -0.031 0.000 2.166 48 K HA 0.595 4.915 4.320 0.000 0.000 0.245 48 K C -1.326 175.232 176.600 -0.070 0.000 0.967 48 K CA -0.697 55.573 56.287 -0.028 0.000 0.863 48 K CB 2.214 34.725 32.500 0.018 0.000 1.107 48 K HN -0.049 nan 8.250 nan 0.000 0.436 49 D N 1.089 121.459 120.400 -0.049 0.000 2.383 49 D HA 0.110 4.750 4.640 0.000 0.000 0.252 49 D C -0.569 175.718 176.300 -0.022 0.000 1.166 49 D CA 0.012 53.977 54.000 -0.058 0.000 0.879 49 D CB 1.303 42.080 40.800 -0.039 0.000 1.164 49 D HN 0.678 nan 8.370 nan 0.000 0.462 50 A N 3.173 125.982 122.820 -0.019 0.000 2.631 50 A HA 0.561 4.881 4.320 0.000 0.000 0.294 50 A C 1.029 178.656 177.584 0.072 0.000 1.156 50 A CA 0.523 52.602 52.037 0.069 0.000 0.963 50 A CB -0.061 19.088 19.000 0.248 0.000 1.202 50 A HN 0.859 nan 8.150 nan 0.000 0.523 51 G N 0.872 109.685 108.800 0.021 0.000 2.531 51 G HA2 -0.275 3.685 3.960 0.000 0.000 0.274 51 G HA3 -0.275 3.685 3.960 0.000 0.000 0.274 51 G C 0.354 175.252 174.900 -0.003 0.000 1.159 51 G CA 0.701 45.816 45.100 0.025 0.000 0.969 51 G HN 1.427 nan 8.290 nan 0.000 0.554 52 M N -0.820 118.781 119.600 0.002 0.000 2.849 52 M HA 0.861 5.341 4.480 0.000 0.000 0.299 52 M C 0.148 176.417 176.300 -0.052 0.000 1.223 52 M CA -1.015 54.244 55.300 -0.068 0.000 0.856 52 M CB 1.356 33.869 32.600 -0.144 0.000 1.680 52 M HN 0.441 nan 8.290 nan 0.000 0.506 53 L N 1.023 122.192 121.223 -0.090 0.000 2.375 53 L HA 0.421 4.761 4.340 0.000 0.000 0.271 53 L C -0.076 176.625 176.870 -0.283 0.000 1.107 53 L CA -0.475 54.342 54.840 -0.039 0.000 0.806 53 L CB 0.506 42.599 42.059 0.056 0.000 1.146 53 L HN 0.627 nan 8.230 nan 0.000 0.447 54 H N 0.423 119.279 119.070 -0.357 0.000 2.616 54 H HA 0.121 4.677 4.556 0.000 0.000 0.353 54 H C -1.098 174.059 175.328 -0.285 0.000 1.170 54 H CA -0.787 54.972 56.048 -0.482 0.000 1.212 54 H CB 2.206 31.363 29.762 -1.009 0.000 1.653 54 H HN 0.489 nan 8.280 nan 0.000 0.537 55 D N 1.024 121.460 120.400 0.060 0.000 2.348 55 D HA 0.099 4.739 4.640 0.000 0.000 0.259 55 D C 0.916 177.503 176.300 0.479 0.000 1.296 55 D CA -0.001 54.142 54.000 0.239 0.000 0.931 55 D CB 0.369 41.299 40.800 0.216 0.000 1.067 55 D HN 0.603 nan 8.370 nan 0.000 0.503 56 A N 3.482 126.607 122.820 0.508 0.000 2.234 56 A HA -0.135 4.185 4.320 0.000 0.000 0.216 56 A C 1.287 178.988 177.584 0.196 0.000 1.167 56 A CA 0.826 53.133 52.037 0.449 0.000 0.698 56 A CB -0.478 18.585 19.000 0.105 0.000 0.779 56 A HN 0.602 nan 8.150 nan 0.000 0.475 57 F N -0.950 119.195 119.950 0.324 0.000 2.678 57 F HA 0.196 4.723 4.527 0.000 0.000 0.305 57 F C 0.379 176.270 175.800 0.151 0.000 1.090 57 F CA -0.816 57.319 58.000 0.226 0.000 1.272 57 F CB 0.420 39.527 39.000 0.177 0.000 1.060 57 F HN 0.080 nan 8.300 nan 0.000 0.576 58 D N 0.789 121.392 120.400 0.337 0.000 2.402 58 D HA 0.117 4.757 4.640 0.000 0.000 0.235 58 D C 1.309 177.699 176.300 0.150 0.000 1.226 58 D CA 0.244 54.383 54.000 0.233 0.000 0.918 58 D CB 0.268 41.213 40.800 0.242 0.000 1.043 58 D HN 0.032 nan 8.370 nan 0.000 0.506 59 I N 2.856 123.480 120.570 0.090 0.000 2.194 59 I HA -0.232 3.939 4.170 0.000 0.000 0.246 59 I C 2.234 178.350 176.117 -0.002 0.000 1.093 59 I CA 1.156 62.458 61.300 0.004 0.000 1.355 59 I CB -0.131 37.865 38.000 -0.007 0.000 1.046 59 I HN 0.413 nan 8.210 nan 0.000 0.413 60 E N -0.286 119.942 120.200 0.046 0.000 2.153 60 E HA -0.184 4.167 4.350 0.000 0.000 0.194 60 E C 2.437 179.082 176.600 0.075 0.000 0.988 60 E CA 1.308 57.740 56.400 0.054 0.000 0.811 60 E CB -0.447 29.292 29.700 0.065 0.000 0.746 60 E HN 0.415 nan 8.360 nan 0.000 0.466 61 S N -0.104 115.671 115.700 0.125 0.000 2.387 61 S HA -0.038 4.432 4.470 0.000 0.000 0.226 61 S C 2.020 176.718 174.600 0.164 0.000 1.026 61 S CA 0.525 58.840 58.200 0.191 0.000 0.972 61 S CB -0.037 63.360 63.200 0.328 0.000 0.814 61 S HN 0.157 nan 8.310 nan 0.000 0.477 62 L N 0.928 122.177 121.223 0.043 0.000 2.109 62 L HA 0.030 4.370 4.340 0.000 0.000 0.207 62 L C 2.483 179.189 176.870 -0.274 0.000 1.086 62 L CA 1.057 55.773 54.840 -0.206 0.000 0.760 62 L CB -0.430 41.372 42.059 -0.429 0.000 0.910 62 L HN 0.206 nan 8.230 nan 0.000 0.437 63 K N 0.064 120.350 120.400 -0.190 0.000 2.286 63 K HA -0.197 4.123 4.320 0.000 0.000 0.203 63 K C 1.511 178.232 176.600 0.202 0.000 1.045 63 K CA 0.945 57.226 56.287 -0.011 0.000 0.935 63 K CB -0.055 32.485 32.500 0.068 0.000 0.737 63 K HN 0.356 nan 8.250 nan 0.000 0.460 64 Q N 0.213 120.091 119.800 0.130 0.000 2.320 64 Q HA 0.156 4.496 4.340 0.000 0.000 0.201 64 Q C 0.207 176.311 176.000 0.174 0.000 0.910 64 Q CA 0.334 56.225 55.803 0.147 0.000 0.946 64 Q CB 0.138 28.932 28.738 0.095 0.000 1.062 64 Q HN 0.296 nan 8.270 nan 0.000 0.503 65 L N 0.764 122.132 121.223 0.241 0.000 2.325 65 L HA 0.306 4.646 4.340 0.000 0.000 0.278 65 L C 0.769 177.912 176.870 0.455 0.000 1.023 65 L CA -0.605 54.392 54.840 0.262 0.000 0.811 65 L CB 1.309 43.463 42.059 0.158 0.000 1.249 65 L HN -0.139 nan 8.230 nan 0.000 0.431 66 D N 1.329 121.907 120.400 0.296 0.000 2.183 66 D HA 0.096 4.736 4.640 0.000 0.000 0.205 66 D C 0.452 176.945 176.300 0.321 0.000 0.962 66 D CA 0.763 54.902 54.000 0.231 0.000 0.849 66 D CB 0.632 41.522 40.800 0.149 0.000 0.978 66 D HN 0.545 nan 8.370 nan 0.000 0.488 67 A N 0.418 123.436 122.820 0.331 0.000 2.401 67 A HA 0.592 4.912 4.320 0.000 0.000 0.310 67 A C -1.024 176.701 177.584 0.235 0.000 1.075 67 A CA -0.499 51.734 52.037 0.327 0.000 0.746 67 A CB 2.351 21.462 19.000 0.184 0.000 1.277 67 A HN -0.079 nan 8.150 nan 0.000 0.425 68 V N 2.937 122.972 119.914 0.201 0.000 2.488 68 V HA 0.358 4.478 4.120 0.000 0.000 0.293 68 V C -0.864 175.107 176.094 -0.205 0.000 1.027 68 V CA -0.018 62.225 62.300 -0.095 0.000 0.862 68 V CB 1.315 32.966 31.823 -0.288 0.000 1.008 68 V HN 0.729 nan 8.190 nan 0.000 0.428 69 I N 4.227 124.685 120.570 -0.187 0.000 2.359 69 I HA 0.405 4.575 4.170 0.000 0.000 0.284 69 I C 0.198 176.205 176.117 -0.185 0.000 1.018 69 I CA -0.091 61.107 61.300 -0.170 0.000 1.173 69 I CB 1.775 39.714 38.000 -0.101 0.000 1.326 69 I HN 0.599 nan 8.210 nan 0.000 0.462 70 T N 4.392 118.788 114.554 -0.262 0.000 2.797 70 T HA 0.327 4.677 4.350 0.000 0.000 0.279 70 T C 0.065 174.712 174.700 -0.088 0.000 0.991 70 T CA -0.383 61.603 62.100 -0.190 0.000 0.979 70 T CB 1.014 69.743 68.868 -0.231 0.000 0.943 70 T HN 0.701 nan 8.240 nan 0.000 0.444 71 C N 4.077 123.344 119.300 -0.055 0.000 2.994 71 C HA 0.317 4.777 4.460 0.000 0.000 0.284 71 C C 1.778 176.742 174.990 -0.044 0.000 1.404 71 C CA -0.472 58.532 59.018 -0.024 0.000 1.775 71 C CB -1.078 26.658 27.740 -0.007 0.000 2.458 71 C HN 0.970 nan 8.230 nan 0.000 0.593 72 Q N 1.699 121.444 119.800 -0.093 0.000 2.482 72 Q HA 0.331 4.671 4.340 0.000 0.000 0.209 72 Q C 1.107 177.107 176.000 -0.001 0.000 0.961 72 Q CA 1.099 56.806 55.803 -0.159 0.000 0.945 72 Q CB -0.194 28.213 28.738 -0.552 0.000 1.012 72 Q HN 0.704 nan 8.270 nan 0.000 0.515 73 G N -2.483 106.364 108.800 0.078 0.000 2.781 73 G HA2 -0.148 3.812 3.960 0.000 0.000 0.683 73 G HA3 -0.148 3.812 3.960 0.000 0.000 0.683 73 G C 0.638 175.652 174.900 0.189 0.000 1.390 73 G CA -0.431 44.738 45.100 0.115 0.000 0.850 73 G HN 0.399 nan 8.290 nan 0.000 0.557 74 G N 0.300 109.188 108.800 0.148 0.000 2.514 74 G HA2 0.001 3.961 3.960 0.000 0.000 0.217 74 G HA3 0.001 3.961 3.960 0.000 0.000 0.217 74 G C 2.475 177.470 174.900 0.160 0.000 1.198 74 G CA 2.962 48.148 45.100 0.145 0.000 0.780 74 G HN 2.315 nan 8.290 nan 0.000 0.565 75 S N -0.358 115.433 115.700 0.151 0.000 2.423 75 S HA -0.290 4.180 4.470 0.000 0.000 0.238 75 S C 2.125 176.861 174.600 0.227 0.000 1.028 75 S CA 1.884 60.181 58.200 0.161 0.000 1.000 75 S CB -0.591 62.698 63.200 0.148 0.000 0.797 75 S HN 0.580 nan 8.310 nan 0.000 0.487 76 Y N 2.546 122.919 120.300 0.123 0.000 2.176 76 Y HA 0.023 4.573 4.550 0.000 0.000 0.291 76 Y C 2.641 178.646 175.900 0.176 0.000 1.122 76 Y CA 1.764 59.936 58.100 0.121 0.000 1.128 76 Y CB -0.966 37.513 38.460 0.032 0.000 1.005 76 Y HN 0.240 nan 8.280 nan 0.000 0.509 77 T N 0.880 115.535 114.554 0.167 0.000 2.665 77 T HA -0.234 4.116 4.350 0.000 0.000 0.268 77 T C 1.582 176.299 174.700 0.028 0.000 1.035 77 T CA 2.015 64.219 62.100 0.174 0.000 1.151 77 T CB -0.339 68.724 68.868 0.326 0.000 0.862 77 T HN 0.471 nan 8.240 nan 0.000 0.438 78 E N 0.450 120.679 120.200 0.048 0.000 2.171 78 E HA -0.187 4.163 4.350 0.000 0.000 0.197 78 E C 2.233 178.842 176.600 0.016 0.000 0.997 78 E CA 1.057 57.475 56.400 0.030 0.000 0.810 78 E CB -0.043 29.688 29.700 0.050 0.000 0.738 78 E HN 0.432 nan 8.360 nan 0.000 0.467 79 K N 0.370 120.778 120.400 0.013 0.000 2.108 79 K HA -0.021 4.299 4.320 0.000 0.000 0.204 79 K C 2.060 178.635 176.600 -0.043 0.000 1.036 79 K CA 0.583 56.883 56.287 0.021 0.000 0.965 79 K CB 0.320 32.889 32.500 0.115 0.000 0.804 79 K HN -0.060 nan 8.250 nan 0.000 0.454 80 V N 1.120 120.946 119.914 -0.146 0.000 2.548 80 V HA -0.197 3.923 4.120 0.000 0.000 0.249 80 V C 2.117 178.049 176.094 -0.270 0.000 1.055 80 V CA 1.484 63.655 62.300 -0.215 0.000 1.065 80 V CB -0.665 30.877 31.823 -0.469 0.000 0.681 80 V HN 0.355 nan 8.190 nan 0.000 0.462 81 Y N 2.052 122.052 120.300 -0.499 0.000 2.114 81 Y HA -0.148 4.403 4.550 0.000 0.000 0.284 81 Y C 0.065 175.674 175.900 -0.485 0.000 1.143 81 Y CA 2.125 59.686 58.100 -0.898 0.000 1.135 81 Y CB -1.563 36.271 38.460 -1.043 0.000 0.980 81 Y HN 0.294 nan 8.280 nan 0.000 0.499 82 P HA -0.243 nan 4.420 nan 0.000 0.211 82 P C 1.626 178.781 177.300 -0.241 0.000 1.179 82 P CA 2.791 65.767 63.100 -0.206 0.000 0.910 82 P CB -0.452 31.216 31.700 -0.054 0.000 0.785 83 A N -0.966 121.756 122.820 -0.163 0.000 1.940 83 A HA -0.254 4.066 4.320 0.000 0.000 0.221 83 A C 2.204 179.696 177.584 -0.154 0.000 1.190 83 A CA 1.988 53.953 52.037 -0.120 0.000 0.647 83 A CB -1.784 17.172 19.000 -0.072 0.000 0.821 83 A HN 0.153 nan 8.150 nan 0.000 0.457 84 L N -1.058 120.017 121.223 -0.246 0.000 2.072 84 L HA -0.080 4.260 4.340 0.000 0.000 0.205 84 L C 2.543 179.329 176.870 -0.140 0.000 1.079 84 L CA 1.606 56.307 54.840 -0.230 0.000 0.752 84 L CB -0.490 41.357 42.059 -0.354 0.000 0.906 84 L HN 0.229 nan 8.230 nan 0.000 0.436 85 R N 0.107 120.426 120.500 -0.303 0.000 2.070 85 R HA -0.150 4.190 4.340 0.000 0.000 0.232 85 R C 2.107 178.344 176.300 -0.106 0.000 1.138 85 R CA 1.807 57.777 56.100 -0.217 0.000 0.936 85 R CB -1.239 28.823 30.300 -0.396 0.000 0.839 85 R HN 0.680 nan 8.270 nan 0.000 0.429 86 Q N 0.026 119.756 119.800 -0.117 0.000 2.297 86 Q HA -0.023 4.317 4.340 0.000 0.000 0.208 86 Q C 1.219 177.197 176.000 -0.036 0.000 0.981 86 Q CA 1.572 57.336 55.803 -0.066 0.000 0.876 86 Q CB -0.267 28.434 28.738 -0.062 0.000 0.921 86 Q HN 0.211 nan 8.270 nan 0.000 0.446 87 A N 0.996 123.799 122.820 -0.029 0.000 2.327 87 A HA 0.437 4.758 4.320 0.000 0.000 0.228 87 A C 1.422 179.027 177.584 0.036 0.000 1.275 87 A CA 0.389 52.427 52.037 0.001 0.000 0.875 87 A CB -0.574 18.424 19.000 -0.004 0.000 0.925 87 A HN 0.602 nan 8.150 nan 0.000 0.493 88 G N -2.083 106.732 108.800 0.026 0.000 2.143 88 G HA2 -0.300 3.660 3.960 0.000 0.000 0.248 88 G HA3 -0.300 3.660 3.960 0.000 0.000 0.248 88 G C -0.075 174.875 174.900 0.084 0.000 0.991 88 G CA 0.247 45.367 45.100 0.033 0.000 0.689 88 G HN 0.756 nan 8.290 nan 0.000 0.522 89 W N 1.286 122.528 121.300 -0.096 0.000 2.304 89 W HA 0.667 5.327 4.660 0.000 0.000 0.313 89 W C 0.731 177.186 176.519 -0.108 0.000 1.323 89 W CA -0.593 56.700 57.345 -0.087 0.000 1.223 89 W CB 0.777 30.186 29.460 -0.086 0.000 1.237 89 W HN -0.076 nan 8.180 nan 0.000 0.535 90 K N 4.566 124.649 120.400 -0.528 0.000 2.387 90 K HA 0.237 4.557 4.320 0.000 0.000 0.203 90 K C 0.821 176.844 176.600 -0.962 0.000 1.030 90 K CA -0.023 55.927 56.287 -0.563 0.000 1.099 90 K CB 0.252 32.546 32.500 -0.343 0.000 0.863 90 K HN 0.593 nan 8.250 nan 0.000 0.529 91 G N 0.162 107.859 108.800 -1.838 0.000 2.651 91 G HA2 0.120 4.080 3.960 0.000 0.000 0.260 91 G HA3 0.120 4.080 3.960 0.000 0.000 0.260 91 G C -0.793 173.266 174.900 -1.401 0.000 1.216 91 G CA -0.359 43.671 45.100 -1.784 0.000 0.913 91 G HN 0.085 nan 8.290 nan 0.000 0.535 92 Y N -0.321 119.750 120.300 -0.381 0.000 2.359 92 Y HA 0.205 4.755 4.550 0.000 0.000 0.334 92 Y C 0.184 176.355 175.900 0.451 0.000 1.058 92 Y CA -0.236 57.913 58.100 0.081 0.000 1.244 92 Y CB 1.035 39.582 38.460 0.145 0.000 1.187 92 Y HN 0.473 nan 8.280 nan 0.000 0.510 93 W N 7.286 128.886 121.300 0.500 0.000 2.296 93 W HA 0.388 5.048 4.660 0.000 0.000 0.316 93 W C -1.893 174.856 176.519 0.384 0.000 1.022 93 W CA -1.081 56.570 57.345 0.510 0.000 1.324 93 W CB 0.838 30.657 29.460 0.598 0.000 1.227 93 W HN 0.354 nan 8.180 nan 0.000 0.409 94 I N 5.638 126.285 120.570 0.129 0.000 2.310 94 I HA 0.103 4.273 4.170 0.000 0.000 0.287 94 I C -0.042 176.020 176.117 -0.092 0.000 1.073 94 I CA -0.346 61.011 61.300 0.095 0.000 1.216 94 I CB 0.188 38.211 38.000 0.037 0.000 1.415 94 I HN 0.308 nan 8.210 nan 0.000 0.480 95 D N 3.969 124.399 120.400 0.050 0.000 2.228 95 D HA 0.688 5.328 4.640 0.000 0.000 0.247 95 D C 0.538 176.885 176.300 0.080 0.000 0.995 95 D CA -0.375 53.653 54.000 0.047 0.000 0.903 95 D CB 2.433 43.420 40.800 0.312 0.000 1.205 95 D HN 0.468 nan 8.370 nan 0.000 0.459 96 A N 1.847 124.703 122.820 0.060 0.000 2.035 96 A HA 0.551 4.871 4.320 0.000 0.000 0.208 96 A C 1.038 178.666 177.584 0.074 0.000 1.206 96 A CA 0.663 52.731 52.037 0.051 0.000 0.773 96 A CB -0.424 18.591 19.000 0.023 0.000 0.878 96 A HN 0.612 nan 8.150 nan 0.000 0.469 97 A N 0.618 123.497 122.820 0.099 0.000 2.466 97 A HA 0.396 4.716 4.320 0.000 0.000 0.238 97 A C 1.509 179.151 177.584 0.097 0.000 1.074 97 A CA 0.429 52.529 52.037 0.105 0.000 0.774 97 A CB 0.060 19.142 19.000 0.136 0.000 1.015 97 A HN 0.980 nan 8.150 nan 0.000 0.498 98 S N 1.220 116.971 115.700 0.084 0.000 2.474 98 S HA -0.125 4.345 4.470 0.000 0.000 0.235 98 S C 1.591 176.228 174.600 0.063 0.000 0.997 98 S CA 1.382 59.627 58.200 0.075 0.000 0.949 98 S CB -0.869 62.383 63.200 0.086 0.000 0.766 98 S HN 0.800 nan 8.310 nan 0.000 0.517 99 T N 3.732 118.322 114.554 0.060 0.000 2.564 99 T HA -0.180 4.170 4.350 0.000 0.000 0.264 99 T C 1.417 176.100 174.700 -0.027 0.000 1.100 99 T CA 2.119 64.234 62.100 0.025 0.000 1.171 99 T CB -0.688 68.194 68.868 0.023 0.000 0.863 99 T HN 0.467 nan 8.240 nan 0.000 0.430 100 L N 0.168 121.348 121.223 -0.072 0.000 2.592 100 L HA 0.244 4.584 4.340 0.000 0.000 0.227 100 L C 2.471 179.302 176.870 -0.065 0.000 1.127 100 L CA -0.011 54.745 54.840 -0.139 0.000 0.884 100 L CB -0.372 41.499 42.059 -0.313 0.000 1.065 100 L HN 0.122 nan 8.230 nan 0.000 0.457 101 R N 0.446 120.940 120.500 -0.011 0.000 2.119 101 R HA -0.147 4.193 4.340 0.000 0.000 0.246 101 R C 1.386 177.681 176.300 -0.009 0.000 1.146 101 R CA 1.316 57.417 56.100 0.001 0.000 0.962 101 R CB -0.194 30.116 30.300 0.017 0.000 0.863 101 R HN 0.283 nan 8.270 nan 0.000 0.442 102 M N 0.837 120.443 119.600 0.009 0.000 2.453 102 M HA 0.138 4.618 4.480 0.000 0.000 0.239 102 M C -0.737 175.568 176.300 0.008 0.000 1.151 102 M CA -0.190 55.121 55.300 0.018 0.000 0.989 102 M CB -0.307 32.341 32.600 0.080 0.000 1.548 102 M HN -0.113 nan 8.290 nan 0.000 0.479 103 D N 1.408 121.795 120.400 -0.022 0.000 2.304 103 D HA 0.121 4.761 4.640 0.000 0.000 0.247 103 D C 1.404 177.686 176.300 -0.030 0.000 1.089 103 D CA -0.111 53.870 54.000 -0.033 0.000 0.910 103 D CB 1.373 42.127 40.800 -0.076 0.000 1.199 103 D HN 0.060 nan 8.370 nan 0.000 0.426 104 K N 2.228 122.617 120.400 -0.018 0.000 2.026 104 K HA -0.219 4.101 4.320 0.000 0.000 0.208 104 K C 0.947 177.530 176.600 -0.028 0.000 1.048 104 K CA 1.381 57.659 56.287 -0.014 0.000 0.929 104 K CB -0.653 31.845 32.500 -0.003 0.000 0.713 104 K HN 0.508 nan 8.250 nan 0.000 0.439 105 E N 1.262 121.441 120.200 -0.035 0.000 2.533 105 E HA 0.138 4.488 4.350 0.000 0.000 0.201 105 E C 0.181 176.721 176.600 -0.100 0.000 1.097 105 E CA 0.443 56.813 56.400 -0.049 0.000 0.887 105 E CB -0.032 29.655 29.700 -0.023 0.000 0.855 105 E HN 0.405 nan 8.360 nan 0.000 0.540 106 A N 1.193 123.949 122.820 -0.107 0.000 2.355 106 A HA 0.545 4.865 4.320 0.000 0.000 0.317 106 A C -0.811 176.703 177.584 -0.117 0.000 1.094 106 A CA -0.759 51.187 52.037 -0.152 0.000 0.764 106 A CB 1.015 19.939 19.000 -0.126 0.000 1.230 106 A HN 0.132 nan 8.150 nan 0.000 0.448 107 I N 3.357 123.826 120.570 -0.168 0.000 2.312 107 I HA 0.243 4.413 4.170 0.000 0.000 0.290 107 I C -0.116 176.078 176.117 0.129 0.000 1.008 107 I CA -0.366 60.937 61.300 0.006 0.000 1.226 107 I CB 1.153 39.228 38.000 0.126 0.000 1.371 107 I HN 0.541 nan 8.210 nan 0.000 0.468 108 I N 5.332 125.953 120.570 0.085 0.000 2.436 108 I HA -0.010 4.160 4.170 0.000 0.000 0.289 108 I C 1.016 177.196 176.117 0.104 0.000 1.083 108 I CA 0.189 61.539 61.300 0.083 0.000 1.372 108 I CB 0.692 38.707 38.000 0.025 0.000 1.408 108 I HN 0.525 nan 8.210 nan 0.000 0.516 109 T N 7.284 121.915 114.554 0.128 0.000 2.832 109 T HA 0.417 4.767 4.350 0.000 0.000 0.296 109 T C -0.237 174.488 174.700 0.042 0.000 0.968 109 T CA -0.226 61.924 62.100 0.084 0.000 1.107 109 T CB 0.463 69.370 68.868 0.066 0.000 0.916 109 T HN 0.462 nan 8.240 nan 0.000 0.517 110 L N 6.194 127.430 121.223 0.021 0.000 2.679 110 L HA 0.240 4.580 4.340 0.000 0.000 0.314 110 L C 1.199 178.065 176.870 -0.006 0.000 1.303 110 L CA -0.009 54.833 54.840 0.005 0.000 0.677 110 L CB 0.109 42.147 42.059 -0.034 0.000 1.040 110 L HN 0.842 nan 8.230 nan 0.000 0.531 111 D N -0.340 120.064 120.400 0.006 0.000 2.347 111 D HA -0.296 4.344 4.640 0.000 0.000 0.189 111 D C -1.028 175.292 176.300 0.034 0.000 1.020 111 D CA 2.180 56.185 54.000 0.009 0.000 0.875 111 D CB -1.704 39.096 40.800 0.000 0.000 0.928 111 D HN 0.335 nan 8.370 nan 0.000 0.454 112 P HA -0.152 nan 4.420 nan 0.000 0.218 112 P C 1.940 179.354 177.300 0.189 0.000 1.152 112 P CA 1.277 64.439 63.100 0.103 0.000 0.857 112 P CB 0.028 31.724 31.700 -0.007 0.000 0.787 113 V N -0.592 119.401 119.914 0.131 0.000 2.436 113 V HA -0.011 4.109 4.120 0.000 0.000 0.240 113 V C 1.321 177.470 176.094 0.092 0.000 1.040 113 V CA 1.808 64.206 62.300 0.163 0.000 1.052 113 V CB -0.828 30.985 31.823 -0.018 0.000 0.707 113 V HN 0.236 nan 8.190 nan 0.000 0.469 114 N N 0.542 119.263 118.700 0.035 0.000 2.535 114 N HA 0.083 4.823 4.740 0.000 0.000 0.294 114 N C 0.891 176.404 175.510 0.006 0.000 1.408 114 N CA -0.264 52.797 53.050 0.019 0.000 0.927 114 N CB 0.282 38.776 38.487 0.012 0.000 1.276 114 N HN 0.239 nan 8.380 nan 0.000 0.505 115 L N 0.832 122.056 121.223 0.002 0.000 2.043 115 L HA -0.158 4.182 4.340 0.000 0.000 0.212 115 L C 2.244 179.099 176.870 -0.024 0.000 1.075 115 L CA 1.937 56.767 54.840 -0.017 0.000 0.752 115 L CB -0.612 41.439 42.059 -0.013 0.000 0.891 115 L HN 0.437 nan 8.230 nan 0.000 0.432 116 K N -0.643 119.745 120.400 -0.021 0.000 1.988 116 K HA -0.329 3.991 4.320 0.000 0.000 0.221 116 K C 2.223 178.802 176.600 -0.035 0.000 1.053 116 K CA 2.370 58.636 56.287 -0.035 0.000 0.959 116 K CB -0.560 31.912 32.500 -0.046 0.000 0.728 116 K HN 0.551 nan 8.250 nan 0.000 0.447 117 Q N 0.299 120.086 119.800 -0.023 0.000 2.268 117 Q HA -0.182 4.158 4.340 0.000 0.000 0.210 117 Q C 2.033 178.065 176.000 0.054 0.000 0.988 117 Q CA 1.779 57.587 55.803 0.008 0.000 0.883 117 Q CB -0.090 28.659 28.738 0.019 0.000 0.911 117 Q HN 0.518 nan 8.270 nan 0.000 0.430 118 I N -0.436 120.153 120.570 0.030 0.000 2.193 118 I HA -0.255 3.915 4.170 0.000 0.000 0.240 118 I C 1.711 177.809 176.117 -0.032 0.000 1.084 118 I CA 0.422 61.743 61.300 0.035 0.000 1.365 118 I CB -0.129 37.829 38.000 -0.069 0.000 1.064 118 I HN 0.227 nan 8.210 nan 0.000 0.410 119 L N 0.062 121.227 121.223 -0.097 0.000 2.083 119 L HA -0.249 4.091 4.340 0.000 0.000 0.209 119 L C 2.505 179.217 176.870 -0.263 0.000 1.083 119 L CA 1.837 56.545 54.840 -0.220 0.000 0.752 119 L CB -1.421 40.569 42.059 -0.115 0.000 0.899 119 L HN 0.244 nan 8.230 nan 0.000 0.433 120 H N -0.332 118.590 119.070 -0.247 0.000 2.267 120 H HA -0.111 4.445 4.556 0.000 0.000 0.297 120 H C 2.161 177.189 175.328 -0.500 0.000 1.080 120 H CA 1.751 57.549 56.048 -0.417 0.000 1.278 120 H CB -0.643 28.975 29.762 -0.239 0.000 1.365 120 H HN 0.274 nan 8.280 nan 0.000 0.489 121 G N 1.007 109.766 108.800 -0.068 0.000 2.469 121 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 121 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 121 G C 1.657 176.614 174.900 0.096 0.000 1.150 121 G CA 1.081 46.201 45.100 0.034 0.000 0.763 121 G HN 0.319 nan 8.290 nan 0.000 0.561 122 I N 1.297 121.891 120.570 0.040 0.000 2.091 122 I HA -0.183 3.988 4.170 0.000 0.000 0.239 122 I C 2.458 178.623 176.117 0.080 0.000 1.061 122 I CA 1.429 62.750 61.300 0.036 0.000 1.317 122 I CB -1.425 36.404 38.000 -0.285 0.000 1.031 122 I HN 0.267 nan 8.210 nan 0.000 0.401 123 H N -0.134 118.998 119.070 0.103 0.000 2.495 123 H HA 0.004 4.560 4.556 0.000 0.000 0.287 123 H C 0.724 176.255 175.328 0.337 0.000 1.033 123 H CA 0.760 56.926 56.048 0.197 0.000 1.307 123 H CB -0.545 29.348 29.762 0.218 0.000 1.401 123 H HN 0.578 nan 8.280 nan 0.000 0.555 124 H N 0.281 119.405 119.070 0.091 0.000 2.452 124 H HA 0.358 4.914 4.556 0.000 0.000 0.240 124 H C 1.165 176.506 175.328 0.021 0.000 1.498 124 H CA -0.267 55.790 56.048 0.014 0.000 1.142 124 H CB 0.392 30.106 29.762 -0.079 0.000 1.599 124 H HN 0.430 nan 8.280 nan 0.000 0.527 125 G N 1.100 109.990 108.800 0.150 0.000 2.779 125 G HA2 -0.385 3.575 3.960 0.000 0.000 0.284 125 G HA3 -0.385 3.575 3.960 0.000 0.000 0.284 125 G C 0.222 175.171 174.900 0.081 0.000 1.326 125 G CA -0.224 44.915 45.100 0.065 0.000 0.983 125 G HN 0.514 nan 8.290 nan 0.000 0.555 126 T N 0.998 115.568 114.554 0.027 0.000 0.748 126 T HA -0.084 4.266 4.350 0.000 0.000 0.752 126 T C 0.786 175.501 174.700 0.025 0.000 0.990 126 T CA 1.715 63.786 62.100 -0.048 0.000 3.970 126 T CB -0.186 68.653 68.868 -0.047 0.000 2.235 126 T HN 0.798 nan 8.240 nan 0.000 0.384 127 K N 0.846 121.181 120.400 -0.107 0.000 2.438 127 K HA 0.157 4.477 4.320 0.000 0.000 0.206 127 K C 0.528 177.217 176.600 0.148 0.000 1.081 127 K CA 0.090 56.343 56.287 -0.055 0.000 1.053 127 K CB 1.163 33.432 32.500 -0.386 0.000 0.908 127 K HN 0.538 nan 8.250 nan 0.000 0.556 128 T N 1.991 116.471 114.554 -0.123 0.000 2.821 128 T HA 0.489 4.839 4.350 0.000 0.000 0.307 128 T C -0.819 173.695 174.700 -0.309 0.000 1.034 128 T CA -0.346 61.763 62.100 0.016 0.000 0.953 128 T CB 0.035 68.919 68.868 0.026 0.000 0.968 128 T HN -0.150 nan 8.240 nan 0.000 0.462 129 F N 2.290 122.400 119.950 0.266 0.000 2.467 129 F HA 0.620 5.147 4.527 0.000 0.000 0.336 129 F C 0.061 175.946 175.800 0.142 0.000 1.123 129 F CA -1.028 57.064 58.000 0.154 0.000 0.964 129 F CB 1.470 40.529 39.000 0.098 0.000 1.136 129 F HN 0.166 nan 8.300 nan 0.000 0.447 130 V N 2.227 122.282 119.914 0.234 0.000 2.715 130 V HA 0.726 4.846 4.120 0.000 0.000 0.310 130 V C 0.431 176.599 176.094 0.124 0.000 1.054 130 V CA -0.951 61.446 62.300 0.161 0.000 0.928 130 V CB 1.804 33.687 31.823 0.100 0.000 1.007 130 V HN 0.891 nan 8.190 nan 0.000 0.437 131 G N 1.709 110.564 108.800 0.092 0.000 2.537 131 G HA2 0.551 4.511 3.960 0.000 0.000 0.273 131 G HA3 0.551 4.511 3.960 0.000 0.000 0.273 131 G C 0.192 175.122 174.900 0.050 0.000 1.189 131 G CA 0.097 45.235 45.100 0.064 0.000 0.881 131 G HN 1.058 nan 8.290 nan 0.000 0.535 132 G N -0.665 108.157 108.800 0.036 0.000 2.477 132 G HA2 0.372 4.332 3.960 0.000 0.000 0.304 132 G HA3 0.372 4.332 3.960 0.000 0.000 0.304 132 G C 0.071 174.985 174.900 0.025 0.000 1.175 132 G CA -0.668 44.441 45.100 0.016 0.000 0.907 132 G HN 0.744 nan 8.290 nan 0.000 0.509 133 N N -0.561 118.147 118.700 0.014 0.000 2.357 133 N HA -0.067 4.673 4.740 0.000 0.000 0.257 133 N C 1.878 177.420 175.510 0.054 0.000 1.250 133 N CA 0.339 53.409 53.050 0.033 0.000 0.862 133 N CB 0.377 38.871 38.487 0.011 0.000 1.066 133 N HN 0.591 nan 8.380 nan 0.000 0.468 134 C N 1.099 120.461 119.300 0.103 0.000 2.369 134 C HA -0.267 4.193 4.460 0.000 0.000 0.273 134 C C 2.542 177.657 174.990 0.207 0.000 1.172 134 C CA 1.648 60.766 59.018 0.166 0.000 1.791 134 C CB -2.195 25.719 27.740 0.291 0.000 2.086 134 C HN 0.872 nan 8.230 nan 0.000 0.459 135 T N 0.686 115.332 114.554 0.154 0.000 2.737 135 T HA -0.100 4.250 4.350 0.000 0.000 0.265 135 T C 1.635 176.336 174.700 0.001 0.000 1.038 135 T CA 2.090 64.234 62.100 0.073 0.000 1.144 135 T CB -0.984 67.859 68.868 -0.041 0.000 0.866 135 T HN 0.492 nan 8.240 nan 0.000 0.434 136 V N 3.107 123.000 119.914 -0.035 0.000 2.261 136 V HA -0.181 3.939 4.120 0.000 0.000 0.246 136 V C 3.198 179.228 176.094 -0.107 0.000 1.047 136 V CA 2.143 64.387 62.300 -0.092 0.000 1.015 136 V CB -1.571 30.188 31.823 -0.108 0.000 0.642 136 V HN 0.759 nan 8.190 nan 0.000 0.446 137 S N 0.464 116.124 115.700 -0.067 0.000 2.419 137 S HA -0.079 4.391 4.470 0.000 0.000 0.233 137 S C 1.918 176.454 174.600 -0.107 0.000 1.016 137 S CA 1.470 59.621 58.200 -0.083 0.000 0.974 137 S CB -0.669 62.520 63.200 -0.019 0.000 0.786 137 S HN 0.538 nan 8.310 nan 0.000 0.492 138 L N 0.294 121.484 121.223 -0.054 0.000 2.131 138 L HA 0.071 4.411 4.340 0.000 0.000 0.206 138 L C 2.968 179.771 176.870 -0.113 0.000 1.087 138 L CA 1.063 55.865 54.840 -0.063 0.000 0.767 138 L CB -0.531 41.535 42.059 0.013 0.000 0.917 138 L HN 0.337 nan 8.230 nan 0.000 0.441 139 M N 0.518 120.050 119.600 -0.113 0.000 2.080 139 M HA -0.212 4.269 4.480 0.000 0.000 0.260 139 M C 2.224 178.401 176.300 -0.204 0.000 1.068 139 M CA 2.048 57.262 55.300 -0.143 0.000 1.109 139 M CB -0.531 31.979 32.600 -0.149 0.000 1.342 139 M HN 0.218 nan 8.290 nan 0.000 0.405 140 L N -0.302 120.763 121.223 -0.263 0.000 2.141 140 L HA -0.205 4.135 4.340 0.000 0.000 0.209 140 L C 2.439 179.113 176.870 -0.327 0.000 1.094 140 L CA 0.724 55.365 54.840 -0.332 0.000 0.763 140 L CB -0.679 41.184 42.059 -0.327 0.000 0.908 140 L HN 0.308 nan 8.230 nan 0.000 0.437 141 M N -0.712 118.705 119.600 -0.305 0.000 2.539 141 M HA -0.104 4.376 4.480 0.000 0.000 0.261 141 M C 2.064 178.222 176.300 -0.237 0.000 1.069 141 M CA 1.220 56.312 55.300 -0.348 0.000 1.081 141 M CB -0.978 31.335 32.600 -0.478 0.000 1.412 141 M HN 0.296 nan 8.290 nan 0.000 0.482 142 A N -0.626 122.082 122.820 -0.186 0.000 1.970 142 A HA 0.210 4.530 4.320 0.000 0.000 0.204 142 A C 1.720 179.251 177.584 -0.090 0.000 1.325 142 A CA 0.039 52.011 52.037 -0.109 0.000 0.767 142 A CB -0.046 18.906 19.000 -0.081 0.000 0.949 142 A HN 0.398 nan 8.150 nan 0.000 0.481 143 L N 0.665 121.838 121.223 -0.083 0.000 2.688 143 L HA 0.169 4.509 4.340 0.000 0.000 0.234 143 L C 2.114 178.992 176.870 0.013 0.000 1.192 143 L CA 0.211 55.069 54.840 0.030 0.000 0.984 143 L CB -0.179 42.003 42.059 0.205 0.000 1.232 143 L HN 0.484 nan 8.230 nan 0.000 0.465 144 G N 0.556 109.192 108.800 -0.275 0.000 2.440 144 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 144 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 144 G C 1.505 176.289 174.900 -0.193 0.000 1.154 144 G CA 0.874 45.580 45.100 -0.656 0.000 0.767 144 G HN 0.488 nan 8.290 nan 0.000 0.552 145 G N 1.149 109.958 108.800 0.016 0.000 2.545 145 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 145 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 145 G C 1.807 176.754 174.900 0.079 0.000 1.218 145 G CA 1.025 46.218 45.100 0.154 0.000 0.787 145 G HN 0.423 nan 8.290 nan 0.000 0.571 146 L N -1.012 120.221 121.223 0.016 0.000 1.971 146 L HA -0.181 4.159 4.340 0.000 0.000 0.215 146 L C 2.762 179.564 176.870 -0.113 0.000 1.072 146 L CA 1.635 56.426 54.840 -0.081 0.000 0.758 146 L CB -0.897 41.059 42.059 -0.171 0.000 0.889 146 L HN 0.189 nan 8.230 nan 0.000 0.433 147 Y N 0.227 120.491 120.300 -0.061 0.000 2.081 147 Y HA -0.318 4.232 4.550 0.000 0.000 0.280 147 Y C 2.741 178.626 175.900 -0.026 0.000 1.163 147 Y CA 1.890 59.957 58.100 -0.055 0.000 1.135 147 Y CB -0.439 37.973 38.460 -0.079 0.000 0.970 147 Y HN 0.221 nan 8.280 nan 0.000 0.498 148 E N 0.284 120.581 120.200 0.161 0.000 2.273 148 E HA -0.209 4.141 4.350 0.000 0.000 0.198 148 E C 1.141 177.778 176.600 0.062 0.000 1.002 148 E CA 0.891 57.364 56.400 0.122 0.000 0.828 148 E CB -0.022 29.785 29.700 0.178 0.000 0.747 148 E HN 0.413 nan 8.360 nan 0.000 0.491 149 R N -1.014 119.505 120.500 0.031 0.000 2.515 149 R HA 0.150 4.490 4.340 0.000 0.000 0.294 149 R C 0.945 177.224 176.300 -0.036 0.000 1.021 149 R CA 0.387 56.484 56.100 -0.005 0.000 1.081 149 R CB 0.597 30.888 30.300 -0.014 0.000 1.263 149 R HN 0.172 nan 8.270 nan 0.000 0.557 150 G N 1.461 110.239 108.800 -0.036 0.000 2.352 150 G HA2 -0.286 3.675 3.960 0.000 0.000 0.295 150 G HA3 -0.286 3.675 3.960 0.000 0.000 0.295 150 G C 0.716 175.550 174.900 -0.111 0.000 0.991 150 G CA 0.290 45.353 45.100 -0.061 0.000 0.796 150 G HN 0.239 nan 8.290 nan 0.000 0.511 151 L N -0.547 120.588 121.223 -0.146 0.000 2.362 151 L HA 0.146 4.486 4.340 0.000 0.000 0.219 151 L C 1.671 178.398 176.870 -0.238 0.000 1.134 151 L CA 0.718 55.459 54.840 -0.164 0.000 0.807 151 L CB -0.090 41.878 42.059 -0.151 0.000 0.927 151 L HN 0.193 nan 8.230 nan 0.000 0.447 152 V N -0.359 119.349 119.914 -0.342 0.000 2.432 152 V HA 0.069 4.189 4.120 0.000 0.000 0.275 152 V C 1.375 177.312 176.094 -0.261 0.000 1.043 152 V CA -0.309 61.746 62.300 -0.408 0.000 0.925 152 V CB 1.522 32.908 31.823 -0.728 0.000 0.985 152 V HN 0.268 nan 8.190 nan 0.000 0.466 153 E N 5.334 125.374 120.200 -0.268 0.000 2.042 153 E HA 0.033 4.383 4.350 0.000 0.000 0.189 153 E C 0.053 176.653 176.600 -0.001 0.000 0.974 153 E CA 0.786 57.098 56.400 -0.147 0.000 0.806 153 E CB 0.446 30.022 29.700 -0.207 0.000 0.769 153 E HN 0.776 nan 8.360 nan 0.000 0.451 154 W N -0.572 120.654 121.300 -0.124 0.000 3.146 154 W HA 0.497 5.157 4.660 0.000 0.000 0.319 154 W C -1.494 174.966 176.519 -0.099 0.000 1.258 154 W CA -1.090 56.202 57.345 -0.087 0.000 1.189 154 W CB 0.356 29.773 29.460 -0.072 0.000 1.412 154 W HN -0.114 nan 8.180 nan 0.000 0.567 155 M N 3.170 123.064 119.600 0.490 0.000 2.386 155 M HA 0.465 4.945 4.480 0.000 0.000 0.293 155 M C -1.499 175.035 176.300 0.391 0.000 1.120 155 M CA -0.228 55.291 55.300 0.365 0.000 0.909 155 M CB 2.488 35.223 32.600 0.224 0.000 1.661 155 M HN 0.413 nan 8.290 nan 0.000 0.452 156 S N 3.221 119.140 115.700 0.365 0.000 2.456 156 S HA 0.861 5.331 4.470 0.000 0.000 0.316 156 S C -1.009 173.671 174.600 0.133 0.000 1.089 156 S CA -0.470 57.855 58.200 0.209 0.000 1.101 156 S CB 1.006 64.351 63.200 0.241 0.000 0.995 156 S HN 0.797 nan 8.310 nan 0.000 0.468 157 A N 6.167 129.031 122.820 0.073 0.000 2.304 157 A HA 0.765 5.085 4.320 0.000 0.000 0.314 157 A C -0.610 176.990 177.584 0.027 0.000 1.187 157 A CA -0.734 51.333 52.037 0.050 0.000 0.810 157 A CB 0.738 19.750 19.000 0.019 0.000 1.183 157 A HN 0.731 nan 8.150 nan 0.000 0.487 158 M N 3.375 123.010 119.600 0.058 0.000 2.078 158 M HA 0.328 4.808 4.480 0.000 0.000 0.320 158 M C 0.290 176.613 176.300 0.038 0.000 0.969 158 M CA -0.366 54.944 55.300 0.017 0.000 0.929 158 M CB 0.590 33.219 32.600 0.048 0.000 1.504 158 M HN 0.823 nan 8.290 nan 0.000 0.419 159 T N -0.155 114.363 114.554 -0.061 0.000 2.927 159 T HA 0.706 5.056 4.350 0.000 0.000 0.281 159 T C -0.729 173.874 174.700 -0.162 0.000 0.998 159 T CA -0.408 61.693 62.100 0.002 0.000 1.019 159 T CB 1.232 70.073 68.868 -0.045 0.000 1.061 159 T HN 0.456 nan 8.240 nan 0.000 0.518 160 Y N 0.440 120.739 120.300 -0.002 0.000 2.787 160 Y HA 0.372 4.922 4.550 0.000 0.000 0.352 160 Y C 0.451 176.373 175.900 0.038 0.000 1.027 160 Y CA -0.985 57.143 58.100 0.047 0.000 1.219 160 Y CB 0.629 39.162 38.460 0.121 0.000 1.110 160 Y HN 0.604 nan 8.280 nan 0.000 0.614 161 Q N 1.713 121.553 119.800 0.066 0.000 2.261 161 Q HA 0.681 5.021 4.340 0.000 0.000 0.252 161 Q C 0.127 176.250 176.000 0.205 0.000 0.915 161 Q CA -0.691 55.123 55.803 0.019 0.000 0.915 161 Q CB 1.812 30.379 28.738 -0.285 0.000 1.204 161 Q HN 0.722 nan 8.270 nan 0.000 0.421 162 A N 1.584 124.662 122.820 0.430 0.000 2.386 162 A HA 0.378 4.698 4.320 0.000 0.000 0.246 162 A C 0.933 178.687 177.584 0.283 0.000 1.089 162 A CA 0.460 52.676 52.037 0.299 0.000 0.790 162 A CB 0.277 19.415 19.000 0.229 0.000 1.042 162 A HN 0.933 nan 8.150 nan 0.000 0.497 163 A N 0.459 123.425 122.820 0.243 0.000 2.014 163 A HA 0.030 4.350 4.320 0.000 0.000 0.218 163 A C 2.355 180.082 177.584 0.238 0.000 1.163 163 A CA 1.851 54.085 52.037 0.328 0.000 0.652 163 A CB -1.101 18.127 19.000 0.379 0.000 0.808 163 A HN 1.736 nan 8.150 nan 0.000 0.449 164 S N 0.104 115.904 115.700 0.167 0.000 2.402 164 S HA -0.113 4.357 4.470 0.000 0.000 0.233 164 S C 2.022 176.689 174.600 0.111 0.000 1.030 164 S CA 1.663 59.923 58.200 0.100 0.000 1.003 164 S CB -1.255 61.972 63.200 0.045 0.000 0.813 164 S HN 0.713 nan 8.310 nan 0.000 0.477 165 G N 1.505 110.423 108.800 0.196 0.000 2.469 165 G HA2 -0.032 3.928 3.960 0.000 0.000 0.219 165 G HA3 -0.032 3.928 3.960 0.000 0.000 0.219 165 G C 1.675 176.660 174.900 0.142 0.000 1.150 165 G CA 1.006 46.240 45.100 0.223 0.000 0.763 165 G HN 0.903 nan 8.290 nan 0.000 0.561 166 A N -0.502 122.396 122.820 0.130 0.000 2.014 166 A HA 0.510 4.830 4.320 0.000 0.000 0.218 166 A C 1.357 178.933 177.584 -0.013 0.000 1.163 166 A CA 1.695 53.760 52.037 0.047 0.000 0.652 166 A CB -0.347 18.648 19.000 -0.008 0.000 0.808 166 A HN 1.772 nan 8.150 nan 0.000 0.449 167 G N -3.965 104.836 108.800 0.002 0.000 2.347 167 G HA2 0.454 4.414 3.960 0.000 0.000 0.321 167 G HA3 0.454 4.414 3.960 0.000 0.000 0.321 167 G C 0.500 175.388 174.900 -0.020 0.000 1.412 167 G CA -0.082 45.006 45.100 -0.019 0.000 0.990 167 G HN 1.004 nan 8.290 nan 0.000 0.637 168 A N -0.503 122.305 122.820 -0.019 0.000 1.902 168 A HA -0.022 4.298 4.320 0.000 0.000 0.217 168 A C 2.261 179.831 177.584 -0.023 0.000 1.181 168 A CA 2.684 54.713 52.037 -0.013 0.000 0.623 168 A CB -0.493 18.497 19.000 -0.017 0.000 0.818 168 A HN 0.783 nan 8.150 nan 0.000 0.443 169 Q N 0.328 120.098 119.800 -0.050 0.000 2.135 169 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 169 Q C 1.706 177.654 176.000 -0.086 0.000 0.981 169 Q CA 2.199 57.963 55.803 -0.066 0.000 0.856 169 Q CB -0.523 28.163 28.738 -0.085 0.000 0.902 169 Q HN 0.823 nan 8.270 nan 0.000 0.425 170 N N -1.157 117.456 118.700 -0.145 0.000 2.244 170 N HA -0.074 4.667 4.740 0.000 0.000 0.183 170 N C 1.433 177.010 175.510 0.113 0.000 1.016 170 N CA 1.084 54.007 53.050 -0.213 0.000 0.866 170 N CB -0.123 38.067 38.487 -0.496 0.000 0.980 170 N HN 0.225 nan 8.380 nan 0.000 0.430 171 M N 0.228 119.881 119.600 0.088 0.000 2.117 171 M HA -0.075 4.405 4.480 0.000 0.000 0.262 171 M C 1.937 178.292 176.300 0.092 0.000 1.065 171 M CA 1.414 56.784 55.300 0.116 0.000 1.114 171 M CB -0.004 32.639 32.600 0.072 0.000 1.361 171 M HN 0.098 nan 8.290 nan 0.000 0.408 172 R N -0.365 120.166 120.500 0.051 0.000 2.073 172 R HA -0.177 4.163 4.340 0.000 0.000 0.234 172 R C 2.124 178.449 176.300 0.042 0.000 1.134 172 R CA 1.629 57.747 56.100 0.031 0.000 0.952 172 R CB -0.484 29.819 30.300 0.005 0.000 0.850 172 R HN 0.461 nan 8.270 nan 0.000 0.433 173 E N 0.743 120.980 120.200 0.062 0.000 2.085 173 E HA -0.221 4.129 4.350 0.000 0.000 0.194 173 E C 1.936 178.600 176.600 0.107 0.000 0.994 173 E CA 0.970 57.418 56.400 0.080 0.000 0.801 173 E CB -0.008 29.776 29.700 0.141 0.000 0.743 173 E HN 0.088 nan 8.360 nan 0.000 0.453 174 L N 1.020 122.359 121.223 0.192 0.000 2.042 174 L HA -0.186 4.154 4.340 0.000 0.000 0.210 174 L C 1.993 178.903 176.870 0.066 0.000 1.076 174 L CA 1.736 56.656 54.840 0.133 0.000 0.749 174 L CB -0.314 41.839 42.059 0.156 0.000 0.893 174 L HN 0.221 nan 8.230 nan 0.000 0.432 175 I N -1.569 119.036 120.570 0.058 0.000 2.617 175 I HA -0.158 4.012 4.170 0.000 0.000 0.256 175 I C 2.246 178.370 176.117 0.013 0.000 1.167 175 I CA 0.728 62.050 61.300 0.037 0.000 1.469 175 I CB -0.335 37.686 38.000 0.036 0.000 1.098 175 I HN 0.185 nan 8.210 nan 0.000 0.436 176 S N 0.514 116.210 115.700 -0.008 0.000 2.355 176 S HA -0.178 4.292 4.470 0.000 0.000 0.222 176 S C 1.962 176.509 174.600 -0.089 0.000 1.031 176 S CA 1.204 59.376 58.200 -0.046 0.000 0.993 176 S CB -0.189 62.971 63.200 -0.067 0.000 0.859 176 S HN 0.455 nan 8.310 nan 0.000 0.453 177 Q N 0.561 120.281 119.800 -0.134 0.000 2.061 177 Q HA -0.105 4.235 4.340 0.000 0.000 0.204 177 Q C 2.255 178.283 176.000 0.047 0.000 0.984 177 Q CA 1.352 57.032 55.803 -0.205 0.000 0.846 177 Q CB -0.338 28.324 28.738 -0.128 0.000 0.902 177 Q HN 0.524 nan 8.270 nan 0.000 0.421 178 M N -0.100 119.535 119.600 0.058 0.000 2.108 178 M HA -0.148 4.332 4.480 0.000 0.000 0.261 178 M C 2.218 178.559 176.300 0.069 0.000 1.066 178 M CA 1.583 56.931 55.300 0.080 0.000 1.107 178 M CB -0.594 32.041 32.600 0.058 0.000 1.356 178 M HN 0.376 nan 8.290 nan 0.000 0.406 179 G N -0.117 108.706 108.800 0.039 0.000 2.453 179 G HA2 -0.167 3.793 3.960 0.000 0.000 0.215 179 G HA3 -0.167 3.793 3.960 0.000 0.000 0.215 179 G C 1.397 176.328 174.900 0.051 0.000 1.201 179 G CA 0.897 46.017 45.100 0.034 0.000 0.784 179 G HN 0.321 nan 8.290 nan 0.000 0.545 180 V N 1.242 121.183 119.914 0.043 0.000 2.453 180 V HA -0.196 3.924 4.120 0.000 0.000 0.252 180 V C 2.719 178.923 176.094 0.183 0.000 1.068 180 V CA 1.549 63.905 62.300 0.093 0.000 1.070 180 V CB -0.381 31.469 31.823 0.044 0.000 0.664 180 V HN 0.409 nan 8.190 nan 0.000 0.461 181 I N 0.069 120.766 120.570 0.211 0.000 2.500 181 I HA -0.146 4.024 4.170 0.000 0.000 0.252 181 I C 2.330 178.504 176.117 0.094 0.000 1.142 181 I CA 1.492 62.896 61.300 0.173 0.000 1.451 181 I CB -0.364 37.735 38.000 0.166 0.000 1.093 181 I HN 0.381 nan 8.210 nan 0.000 0.430 182 N N 1.085 119.832 118.700 0.078 0.000 2.135 182 N HA -0.192 4.548 4.740 0.000 0.000 0.186 182 N C 1.467 177.005 175.510 0.048 0.000 1.027 182 N CA 1.347 54.429 53.050 0.053 0.000 0.849 182 N CB 0.054 38.567 38.487 0.044 0.000 1.002 182 N HN 0.084 nan 8.380 nan 0.000 0.425 183 D N 0.035 120.467 120.400 0.052 0.000 2.190 183 D HA -0.155 4.485 4.640 0.000 0.000 0.200 183 D C 1.637 177.963 176.300 0.044 0.000 0.992 183 D CA 1.231 55.258 54.000 0.045 0.000 0.854 183 D CB -0.465 40.363 40.800 0.047 0.000 0.936 183 D HN 0.470 nan 8.370 nan 0.000 0.462 184 A N 0.133 122.986 122.820 0.055 0.000 1.968 184 A HA -0.034 4.286 4.320 0.000 0.000 0.217 184 A C 1.835 179.437 177.584 0.030 0.000 1.169 184 A CA 1.454 53.518 52.037 0.045 0.000 0.638 184 A CB 0.071 19.103 19.000 0.053 0.000 0.812 184 A HN 0.234 nan 8.150 nan 0.000 0.446 185 V N -3.899 116.033 119.914 0.029 0.000 3.017 185 V HA 0.310 4.430 4.120 0.000 0.000 0.354 185 V C 1.254 177.361 176.094 0.021 0.000 1.389 185 V CA 0.516 62.828 62.300 0.021 0.000 1.163 185 V CB -0.652 31.182 31.823 0.017 0.000 1.178 185 V HN 0.284 nan 8.190 nan 0.000 0.547 186 S N 3.026 118.740 115.700 0.023 0.000 2.359 186 S HA -0.244 4.226 4.470 0.000 0.000 0.222 186 S C 2.280 176.890 174.600 0.017 0.000 1.038 186 S CA 3.034 61.246 58.200 0.021 0.000 1.051 186 S CB -0.360 62.853 63.200 0.022 0.000 0.944 186 S HN 1.080 nan 8.310 nan 0.000 0.433 187 S N 2.546 118.256 115.700 0.015 0.000 2.348 187 S HA -0.148 4.322 4.470 0.000 0.000 0.221 187 S C 1.874 176.480 174.600 0.011 0.000 1.033 187 S CA 1.287 59.495 58.200 0.013 0.000 1.010 187 S CB -1.015 62.192 63.200 0.012 0.000 0.891 187 S HN 0.788 nan 8.310 nan 0.000 0.442 188 E N 2.433 122.640 120.200 0.011 0.000 2.130 188 E HA -0.170 4.180 4.350 0.000 0.000 0.196 188 E C 2.187 178.792 176.600 0.010 0.000 0.998 188 E CA 1.134 57.540 56.400 0.010 0.000 0.806 188 E CB -0.893 28.813 29.700 0.009 0.000 0.738 188 E HN 0.542 nan 8.360 nan 0.000 0.459 189 L N 0.865 122.095 121.223 0.011 0.000 2.093 189 L HA -0.121 4.220 4.340 0.000 0.000 0.208 189 L C 2.809 179.685 176.870 0.010 0.000 1.085 189 L CA 1.049 55.896 54.840 0.011 0.000 0.755 189 L CB -0.626 41.442 42.059 0.014 0.000 0.904 189 L HN 0.140 nan 8.230 nan 0.000 0.435 190 A N 0.116 122.943 122.820 0.011 0.000 1.873 190 A HA -0.277 4.043 4.320 0.000 0.000 0.218 190 A C 1.396 178.985 177.584 0.008 0.000 1.193 190 A CA 1.531 53.574 52.037 0.010 0.000 0.629 190 A CB -0.949 18.057 19.000 0.010 0.000 0.826 190 A HN 0.577 nan 8.150 nan 0.000 0.447 191 N N 1.323 120.027 118.700 0.008 0.000 2.406 191 N HA 0.060 4.800 4.740 0.000 0.000 0.269 191 N C -1.756 173.758 175.510 0.006 0.000 1.210 191 N CA -1.021 52.033 53.050 0.007 0.000 0.966 191 N CB 0.768 39.259 38.487 0.006 0.000 1.293 191 N HN 0.204 nan 8.380 nan 0.000 0.491 192 P HA -0.110 nan 4.420 nan 0.000 0.234 192 P C 0.175 177.478 177.300 0.005 0.000 1.162 192 P CA 0.804 63.908 63.100 0.006 0.000 0.759 192 P CB 0.178 31.881 31.700 0.006 0.000 0.813 193 A N -0.725 122.098 122.820 0.005 0.000 2.508 193 A HA 0.294 4.614 4.320 0.000 0.000 0.257 193 A C 1.126 178.713 177.584 0.004 0.000 1.226 193 A CA -0.059 51.981 52.037 0.004 0.000 0.947 193 A CB -0.312 18.691 19.000 0.004 0.000 1.079 193 A HN 0.281 nan 8.150 nan 0.000 0.531 194 S N -0.162 115.541 115.700 0.005 0.000 2.611 194 S HA 0.228 4.698 4.470 0.000 0.000 0.252 194 S C 0.626 175.228 174.600 0.004 0.000 1.369 194 S CA 0.354 58.556 58.200 0.004 0.000 0.975 194 S CB 0.296 63.499 63.200 0.005 0.000 0.937 194 S HN 0.534 nan 8.310 nan 0.000 0.584 195 S N -0.013 115.689 115.700 0.003 0.000 2.416 195 S HA 0.195 4.665 4.470 0.000 0.000 0.287 195 S C 0.934 175.535 174.600 0.002 0.000 1.139 195 S CA -0.814 57.387 58.200 0.002 0.000 1.058 195 S CB -0.453 62.748 63.200 0.001 0.000 0.967 195 S HN 0.644 nan 8.310 nan 0.000 0.495 196 I N 6.432 127.003 120.570 0.002 0.000 2.151 196 I HA -0.176 3.994 4.170 0.000 0.000 0.243 196 I C 1.725 177.842 176.117 0.000 0.000 1.080 196 I CA 1.793 63.094 61.300 0.002 0.000 1.339 196 I CB -0.304 37.697 38.000 0.002 0.000 1.039 196 I HN 0.813 nan 8.210 nan 0.000 0.409 197 L N -0.207 121.015 121.223 -0.001 0.000 2.275 197 L HA -0.170 4.170 4.340 0.000 0.000 0.215 197 L C 2.001 178.869 176.870 -0.004 0.000 1.119 197 L CA 1.503 56.342 54.840 -0.003 0.000 0.790 197 L CB -0.679 41.378 42.059 -0.003 0.000 0.919 197 L HN 0.345 nan 8.230 nan 0.000 0.443 198 D N 0.269 120.668 120.400 -0.002 0.000 2.162 198 D HA -0.115 4.525 4.640 0.000 0.000 0.203 198 D C 2.258 178.557 176.300 -0.002 0.000 0.967 198 D CA 0.667 54.666 54.000 -0.002 0.000 0.840 198 D CB 0.193 40.993 40.800 -0.000 0.000 0.972 198 D HN 0.178 nan 8.370 nan 0.000 0.482 199 I N 0.536 121.105 120.570 -0.000 0.000 2.163 199 I HA -0.247 3.923 4.170 0.000 0.000 0.243 199 I C 2.010 178.125 176.117 -0.004 0.000 1.085 199 I CA 1.498 62.799 61.300 0.001 0.000 1.347 199 I CB -0.297 37.705 38.000 0.003 0.000 1.044 199 I HN 0.146 nan 8.210 nan 0.000 0.408 200 D N 1.145 121.542 120.400 -0.006 0.000 2.087 200 D HA -0.286 4.354 4.640 0.000 0.000 0.192 200 D C 2.203 178.491 176.300 -0.019 0.000 0.993 200 D CA 1.793 55.785 54.000 -0.012 0.000 0.828 200 D CB -0.138 40.656 40.800 -0.010 0.000 0.968 200 D HN 0.103 nan 8.370 nan 0.000 0.448 201 K N 0.206 120.597 120.400 -0.016 0.000 2.052 201 K HA -0.294 4.026 4.320 0.000 0.000 0.215 201 K C 2.075 178.661 176.600 -0.024 0.000 1.053 201 K CA 1.840 58.116 56.287 -0.019 0.000 0.934 201 K CB -0.057 32.436 32.500 -0.013 0.000 0.717 201 K HN 0.131 nan 8.250 nan 0.000 0.450 202 K N 0.121 120.510 120.400 -0.017 0.000 2.002 202 K HA -0.116 4.204 4.320 0.000 0.000 0.209 202 K C 2.127 178.709 176.600 -0.030 0.000 1.048 202 K CA 1.635 57.913 56.287 -0.016 0.000 0.930 202 K CB -0.285 32.212 32.500 -0.004 0.000 0.714 202 K HN -0.006 nan 8.250 nan 0.000 0.438 203 V N 1.818 121.714 119.914 -0.029 0.000 2.317 203 V HA -0.336 3.784 4.120 0.000 0.000 0.251 203 V C 2.449 178.484 176.094 -0.099 0.000 1.065 203 V CA 2.213 64.486 62.300 -0.045 0.000 1.049 203 V CB -0.875 30.930 31.823 -0.030 0.000 0.651 203 V HN 0.423 nan 8.190 nan 0.000 0.450 204 A N -0.373 122.397 122.820 -0.084 0.000 1.877 204 A HA -0.237 4.083 4.320 0.000 0.000 0.216 204 A C 2.162 179.671 177.584 -0.125 0.000 1.186 204 A CA 1.849 53.822 52.037 -0.107 0.000 0.620 204 A CB -0.491 18.468 19.000 -0.069 0.000 0.822 204 A HN 0.653 nan 8.150 nan 0.000 0.443 205 E N -0.763 119.386 120.200 -0.085 0.000 2.058 205 E HA -0.154 4.196 4.350 0.000 0.000 0.194 205 E C 2.091 178.634 176.600 -0.096 0.000 0.997 205 E CA 1.617 57.975 56.400 -0.070 0.000 0.801 205 E CB -0.492 29.186 29.700 -0.037 0.000 0.746 205 E HN 0.565 nan 8.360 nan 0.000 0.450 206 T N 1.470 115.963 114.554 -0.102 0.000 2.580 206 T HA -0.212 4.138 4.350 0.000 0.000 0.265 206 T C 1.936 176.427 174.700 -0.347 0.000 1.063 206 T CA 1.722 63.764 62.100 -0.097 0.000 1.170 206 T CB -0.257 68.592 68.868 -0.032 0.000 0.863 206 T HN 0.153 nan 8.240 nan 0.000 0.418 207 M N 0.367 119.531 119.600 -0.727 0.000 2.195 207 M HA -0.120 4.360 4.480 0.000 0.000 0.260 207 M C 2.392 178.272 176.300 -0.699 0.000 1.066 207 M CA 1.596 55.999 55.300 -1.495 0.000 1.089 207 M CB -0.414 31.643 32.600 -0.906 0.000 1.377 207 M HN 0.116 nan 8.290 nan 0.000 0.411 208 R N 0.264 120.567 120.500 -0.329 0.000 2.127 208 R HA 0.027 4.367 4.340 0.000 0.000 0.217 208 R C 0.852 177.123 176.300 -0.047 0.000 1.074 208 R CA 0.562 56.577 56.100 -0.141 0.000 0.991 208 R CB -0.098 30.142 30.300 -0.100 0.000 0.895 208 R HN 0.381 nan 8.270 nan 0.000 0.450 209 S N 0.182 115.867 115.700 -0.025 0.000 2.525 209 S HA 0.051 4.521 4.470 0.000 0.000 0.285 209 S C 1.364 176.025 174.600 0.101 0.000 1.283 209 S CA -0.226 57.999 58.200 0.042 0.000 1.072 209 S CB 1.470 64.706 63.200 0.059 0.000 0.867 209 S HN 0.339 nan 8.310 nan 0.000 0.492 210 G N 2.258 111.105 108.800 0.077 0.000 2.517 210 G HA2 -0.266 3.694 3.960 0.000 0.000 0.222 210 G HA3 -0.266 3.694 3.960 0.000 0.000 0.222 210 G C 1.418 176.384 174.900 0.109 0.000 1.109 210 G CA 0.880 46.032 45.100 0.087 0.000 0.746 210 G HN 1.123 nan 8.290 nan 0.000 0.576 211 S N -0.783 114.983 115.700 0.111 0.000 2.660 211 S HA 0.201 4.671 4.470 0.000 0.000 0.228 211 S C 0.524 175.211 174.600 0.144 0.000 0.966 211 S CA -0.529 57.731 58.200 0.100 0.000 0.940 211 S CB -0.296 62.954 63.200 0.084 0.000 0.773 211 S HN 0.107 nan 8.310 nan 0.000 0.535 212 F N 4.737 124.700 119.950 0.021 0.000 2.438 212 F HA 0.364 4.891 4.527 0.000 0.000 0.356 212 F C -2.137 173.685 175.800 0.036 0.000 1.099 212 F CA -3.062 54.954 58.000 0.027 0.000 1.185 212 F CB 0.702 39.717 39.000 0.024 0.000 1.115 212 F HN 0.027 nan 8.300 nan 0.000 0.526 213 P HA -0.025 nan 4.420 nan 0.000 0.257 213 P C -0.225 176.999 177.300 -0.127 0.000 1.359 213 P CA 0.298 63.263 63.100 -0.225 0.000 1.239 213 P CB -0.462 31.069 31.700 -0.283 0.000 1.549 214 T N -1.574 112.986 114.554 0.010 0.000 3.415 214 T HA 0.237 4.587 4.350 0.000 0.000 0.282 214 T C 0.419 175.166 174.700 0.078 0.000 1.007 214 T CA -0.403 61.758 62.100 0.101 0.000 0.958 214 T CB -0.448 68.521 68.868 0.168 0.000 1.171 214 T HN -0.062 nan 8.240 nan 0.000 0.500 215 D N 1.342 121.760 120.400 0.030 0.000 2.234 215 D HA 0.015 4.655 4.640 0.000 0.000 0.205 215 D C 2.009 178.299 176.300 -0.017 0.000 0.962 215 D CA 0.527 54.531 54.000 0.007 0.000 0.855 215 D CB 0.172 40.965 40.800 -0.012 0.000 0.951 215 D HN 0.293 nan 8.370 nan 0.000 0.500 216 N N -0.808 117.866 118.700 -0.045 0.000 2.402 216 N HA 0.059 4.799 4.740 0.000 0.000 0.174 216 N C 0.909 176.281 175.510 -0.231 0.000 1.027 216 N CA 0.441 53.389 53.050 -0.170 0.000 0.891 216 N CB 0.199 38.516 38.487 -0.283 0.000 1.016 216 N HN 0.210 nan 8.380 nan 0.000 0.439 217 F N -0.169 119.794 119.950 0.022 0.000 2.582 217 F HA 0.249 4.776 4.527 0.000 0.000 0.290 217 F C 1.947 177.767 175.800 0.034 0.000 1.115 217 F CA 0.459 58.480 58.000 0.036 0.000 1.445 217 F CB 0.524 39.553 39.000 0.049 0.000 1.126 217 F HN 0.099 nan 8.300 nan 0.000 0.574 218 G N 0.442 109.364 108.800 0.203 0.000 2.383 218 G HA2 -0.278 3.683 3.960 0.000 0.000 0.229 218 G HA3 -0.278 3.683 3.960 0.000 0.000 0.229 218 G C 0.135 175.115 174.900 0.133 0.000 1.089 218 G CA 0.221 45.397 45.100 0.126 0.000 0.640 218 G HN 0.617 nan 8.290 nan 0.000 0.510 219 V N -2.946 117.070 119.914 0.169 0.000 3.160 219 V HA 0.898 5.019 4.120 0.000 0.000 0.310 219 V C -2.811 173.380 176.094 0.162 0.000 1.181 219 V CA -2.428 59.954 62.300 0.136 0.000 1.047 219 V CB 1.723 33.595 31.823 0.081 0.000 1.068 219 V HN 0.105 nan 8.190 nan 0.000 0.441 220 P HA 0.306 nan 4.420 nan 0.000 0.271 220 P C -0.028 177.288 177.300 0.027 0.000 1.216 220 P CA -0.015 63.217 63.100 0.220 0.000 0.776 220 P CB 1.054 32.849 31.700 0.157 0.000 0.881 221 L N 3.774 124.962 121.223 -0.059 0.000 2.515 221 L HA 0.454 4.794 4.340 0.000 0.000 0.202 221 L C 0.643 177.460 176.870 -0.088 0.000 1.056 221 L CA 0.784 55.473 54.840 -0.252 0.000 0.847 221 L CB -0.974 40.657 42.059 -0.713 0.000 1.131 221 L HN 0.266 nan 8.230 nan 0.000 0.484 222 A N 0.126 122.953 122.820 0.012 0.000 2.491 222 A HA 0.459 4.779 4.320 0.000 0.000 0.261 222 A C 1.301 178.929 177.584 0.073 0.000 1.101 222 A CA 0.400 52.475 52.037 0.065 0.000 0.772 222 A CB -1.145 17.930 19.000 0.124 0.000 1.043 222 A HN 1.333 nan 8.150 nan 0.000 0.501 223 G N 0.816 109.639 108.800 0.038 0.000 2.143 223 G HA2 -0.054 3.906 3.960 0.000 0.000 0.249 223 G HA3 -0.054 3.906 3.960 0.000 0.000 0.249 223 G C 0.343 175.242 174.900 -0.002 0.000 0.981 223 G CA 0.973 46.084 45.100 0.019 0.000 0.665 223 G HN 2.015 nan 8.290 nan 0.000 0.528 224 S N -1.745 113.952 115.700 -0.005 0.000 2.873 224 S HA 0.917 5.387 4.470 0.000 0.000 0.303 224 S C -1.478 173.108 174.600 -0.023 0.000 1.222 224 S CA 0.385 58.576 58.200 -0.015 0.000 0.923 224 S CB 1.018 64.204 63.200 -0.023 0.000 1.286 224 S HN 1.814 nan 8.310 nan 0.000 0.571 225 L N -0.540 120.665 121.223 -0.029 0.000 2.775 225 L HA 0.741 5.081 4.340 0.000 0.000 0.263 225 L C -1.616 175.239 176.870 -0.025 0.000 1.017 225 L CA -0.700 54.117 54.840 -0.037 0.000 0.891 225 L CB 1.097 43.140 42.059 -0.027 0.000 1.482 225 L HN 0.629 nan 8.230 nan 0.000 0.410 226 I N 1.620 122.181 120.570 -0.016 0.000 2.466 226 I HA 0.376 4.546 4.170 0.000 0.000 0.279 226 I C -1.978 174.181 176.117 0.071 0.000 1.033 226 I CA -1.213 60.111 61.300 0.040 0.000 1.123 226 I CB 2.276 40.312 38.000 0.060 0.000 1.237 226 I HN 0.542 nan 8.210 nan 0.000 0.460 227 P HA -0.054 nan 4.420 nan 0.000 0.286 227 P C -0.751 176.642 177.300 0.155 0.000 1.577 227 P CA 0.554 63.694 63.100 0.067 0.000 0.805 227 P CB -0.200 31.532 31.700 0.054 0.000 1.706 228 W N 0.919 122.217 121.300 -0.004 0.000 3.827 228 W HA 0.383 5.043 4.660 0.000 0.000 0.307 228 W C -2.171 174.365 176.519 0.027 0.000 1.204 228 W CA -0.741 56.610 57.345 0.010 0.000 1.250 228 W CB 1.109 30.578 29.460 0.015 0.000 1.281 228 W HN -0.268 nan 8.180 nan 0.000 0.494 229 I N 6.638 127.367 120.570 0.265 0.000 2.447 229 I HA 0.235 4.405 4.170 0.000 0.000 0.287 229 I C 0.165 176.445 176.117 0.271 0.000 1.023 229 I CA -0.283 61.161 61.300 0.241 0.000 1.083 229 I CB 1.840 39.898 38.000 0.096 0.000 1.245 229 I HN 0.349 nan 8.210 nan 0.000 0.434 230 D N 2.710 123.282 120.400 0.286 0.000 10.186 230 D HA -0.160 4.480 4.640 0.000 0.000 0.355 230 D C -0.532 175.974 176.300 0.343 0.000 3.006 230 D CA 0.545 54.687 54.000 0.237 0.000 2.406 230 D CB 0.402 41.305 40.800 0.172 0.000 1.188 230 D HN 0.390 nan 8.370 nan 0.000 1.028 231 V N -0.659 119.391 119.914 0.227 0.000 2.999 231 V HA 0.287 4.407 4.120 0.000 0.000 0.307 231 V C 0.757 177.050 176.094 0.331 0.000 1.084 231 V CA 0.418 62.845 62.300 0.212 0.000 1.155 231 V CB 0.981 32.859 31.823 0.092 0.000 0.975 231 V HN 0.628 nan 8.190 nan 0.000 0.490 232 K N 3.854 124.462 120.400 0.348 0.000 2.270 232 K HA 0.380 4.700 4.320 0.000 0.000 0.276 232 K C 0.048 176.742 176.600 0.157 0.000 1.023 232 K CA -0.559 55.995 56.287 0.444 0.000 0.955 232 K CB 0.624 33.395 32.500 0.451 0.000 0.975 232 K HN 0.896 nan 8.250 nan 0.000 0.471 233 R N 2.166 122.714 120.500 0.080 0.000 2.810 233 R HA 0.145 4.485 4.340 0.000 0.000 0.245 233 R C 0.692 176.973 176.300 -0.030 0.000 1.168 233 R CA -0.918 55.151 56.100 -0.052 0.000 1.096 233 R CB 0.503 30.699 30.300 -0.173 0.000 1.259 233 R HN 0.753 nan 8.270 nan 0.000 0.518 234 D N 1.131 121.488 120.400 -0.072 0.000 2.103 234 D HA -0.156 4.484 4.640 0.000 0.000 0.190 234 D C 0.732 177.019 176.300 -0.022 0.000 0.997 234 D CA 1.890 55.864 54.000 -0.044 0.000 0.833 234 D CB -0.180 40.583 40.800 -0.061 0.000 0.961 234 D HN 0.479 nan 8.370 nan 0.000 0.447 235 N N 0.024 118.706 118.700 -0.030 0.000 2.271 235 N HA 0.065 4.805 4.740 0.000 0.000 0.276 235 N C 1.343 176.848 175.510 -0.009 0.000 1.292 235 N CA 0.533 53.575 53.050 -0.014 0.000 0.934 235 N CB -0.603 37.879 38.487 -0.009 0.000 1.037 235 N HN 0.020 nan 8.380 nan 0.000 0.483 236 G N -2.433 106.356 108.800 -0.019 0.000 2.880 236 G HA2 -0.024 3.936 3.960 0.000 0.000 0.209 236 G HA3 -0.024 3.936 3.960 0.000 0.000 0.209 236 G C 0.332 175.164 174.900 -0.114 0.000 1.157 236 G CA -0.094 44.984 45.100 -0.035 0.000 0.779 236 G HN 0.518 nan 8.290 nan 0.000 0.539 237 Q N 0.623 120.366 119.800 -0.094 0.000 2.535 237 Q HA 0.396 4.736 4.340 0.000 0.000 0.228 237 Q C 0.271 176.168 176.000 -0.171 0.000 1.062 237 Q CA -0.019 55.703 55.803 -0.134 0.000 0.967 237 Q CB 0.893 29.630 28.738 -0.001 0.000 1.273 237 Q HN 0.339 nan 8.270 nan 0.000 0.554 238 S N -0.608 114.953 115.700 -0.231 0.000 2.681 238 S HA 0.258 4.728 4.470 0.000 0.000 0.299 238 S C 0.513 175.132 174.600 0.031 0.000 1.113 238 S CA -0.955 57.152 58.200 -0.154 0.000 1.013 238 S CB 1.736 64.684 63.200 -0.420 0.000 1.076 238 S HN 0.678 nan 8.310 nan 0.000 0.534 239 K N -0.037 120.423 120.400 0.100 0.000 2.280 239 K HA -0.136 4.184 4.320 0.000 0.000 0.202 239 K C 1.691 178.444 176.600 0.254 0.000 1.047 239 K CA 1.327 57.729 56.287 0.192 0.000 0.942 239 K CB -0.127 32.460 32.500 0.145 0.000 0.739 239 K HN 0.717 nan 8.250 nan 0.000 0.457 240 E N 1.189 121.465 120.200 0.127 0.000 2.046 240 E HA -0.141 4.209 4.350 0.000 0.000 0.190 240 E C 1.171 177.797 176.600 0.043 0.000 0.982 240 E CA 1.509 57.954 56.400 0.075 0.000 0.800 240 E CB 0.133 29.846 29.700 0.023 0.000 0.756 240 E HN 0.312 nan 8.360 nan 0.000 0.449 241 E N -1.153 119.052 120.200 0.008 0.000 2.409 241 E HA -0.145 4.205 4.350 0.000 0.000 0.198 241 E C 1.332 177.971 176.600 0.065 0.000 1.024 241 E CA 0.565 56.956 56.400 -0.016 0.000 0.861 241 E CB -0.138 29.508 29.700 -0.090 0.000 0.788 241 E HN 0.412 nan 8.360 nan 0.000 0.521 242 W N 1.797 123.055 121.300 -0.069 0.000 2.580 242 W HA 0.048 4.708 4.660 0.000 0.000 0.287 242 W C 1.517 178.016 176.519 -0.033 0.000 1.175 242 W CA 0.677 57.994 57.345 -0.047 0.000 1.409 242 W CB 0.191 29.630 29.460 -0.035 0.000 1.101 242 W HN -0.271 nan 8.180 nan 0.000 0.558 243 K N 0.717 121.053 120.400 -0.107 0.000 2.293 243 K HA -0.227 4.093 4.320 0.000 0.000 0.204 243 K C 2.079 178.479 176.600 -0.334 0.000 1.045 243 K CA 1.317 57.401 56.287 -0.339 0.000 0.933 243 K CB -0.559 31.905 32.500 -0.060 0.000 0.736 243 K HN 0.244 nan 8.250 nan 0.000 0.463 244 A N 1.587 124.271 122.820 -0.227 0.000 1.842 244 A HA -0.159 4.161 4.320 0.000 0.000 0.217 244 A C 2.408 179.860 177.584 -0.219 0.000 1.206 244 A CA 2.155 54.084 52.037 -0.179 0.000 0.630 244 A CB -1.483 17.450 19.000 -0.113 0.000 0.839 244 A HN 0.424 nan 8.150 nan 0.000 0.447 245 G N -0.479 108.177 108.800 -0.240 0.000 2.575 245 G HA2 -0.130 3.830 3.960 0.000 0.000 0.215 245 G HA3 -0.130 3.830 3.960 0.000 0.000 0.215 245 G C 1.633 176.369 174.900 -0.274 0.000 1.262 245 G CA 2.722 47.697 45.100 -0.208 0.000 0.807 245 G HN 1.039 nan 8.290 nan 0.000 0.567 246 V N -0.257 119.390 119.914 -0.447 0.000 2.236 246 V HA -0.348 3.772 4.120 0.000 0.000 0.255 246 V C 2.402 178.309 176.094 -0.312 0.000 1.068 246 V CA 2.858 64.900 62.300 -0.430 0.000 1.044 246 V CB -1.209 30.150 31.823 -0.773 0.000 0.653 246 V HN 0.504 nan 8.190 nan 0.000 0.448 247 E N 0.807 120.800 120.200 -0.346 0.000 2.072 247 E HA -0.059 4.291 4.350 0.000 0.000 0.191 247 E C 2.448 178.948 176.600 -0.165 0.000 0.985 247 E CA 1.179 57.448 56.400 -0.217 0.000 0.801 247 E CB -0.429 29.154 29.700 -0.195 0.000 0.750 247 E HN 0.696 nan 8.360 nan 0.000 0.452 248 A N 2.054 124.764 122.820 -0.183 0.000 1.883 248 A HA -0.248 4.072 4.320 0.000 0.000 0.217 248 A C 1.902 179.409 177.584 -0.128 0.000 1.186 248 A CA 1.661 53.593 52.037 -0.175 0.000 0.624 248 A CB -0.579 18.300 19.000 -0.202 0.000 0.822 248 A HN 0.175 nan 8.150 nan 0.000 0.444 249 N N -0.321 118.319 118.700 -0.101 0.000 2.120 249 N HA -0.171 4.569 4.740 0.000 0.000 0.188 249 N C 1.751 177.232 175.510 -0.048 0.000 1.024 249 N CA 1.592 54.609 53.050 -0.054 0.000 0.852 249 N CB -0.350 38.111 38.487 -0.043 0.000 1.003 249 N HN 0.668 nan 8.380 nan 0.000 0.424 250 K N 1.148 121.509 120.400 -0.066 0.000 2.059 250 K HA -0.147 4.173 4.320 0.000 0.000 0.212 250 K C 1.934 178.516 176.600 -0.030 0.000 1.050 250 K CA 1.278 57.538 56.287 -0.045 0.000 0.927 250 K CB -0.016 32.450 32.500 -0.056 0.000 0.714 250 K HN 0.004 nan 8.250 nan 0.000 0.447 251 I N 1.322 121.866 120.570 -0.044 0.000 2.127 251 I HA -0.272 3.898 4.170 0.000 0.000 0.241 251 I C 2.235 178.339 176.117 -0.021 0.000 1.075 251 I CA 1.470 62.750 61.300 -0.032 0.000 1.334 251 I CB -1.392 36.572 38.000 -0.059 0.000 1.040 251 I HN 0.249 nan 8.210 nan 0.000 0.405 252 L N 1.103 122.309 121.223 -0.028 0.000 2.633 252 L HA 0.007 4.347 4.340 0.000 0.000 0.235 252 L C 1.066 177.940 176.870 0.006 0.000 1.163 252 L CA 0.500 55.340 54.840 0.000 0.000 0.859 252 L CB -1.165 40.907 42.059 0.021 0.000 0.973 252 L HN 0.557 nan 8.230 nan 0.000 0.451 253 G N 1.940 110.739 108.800 -0.002 0.000 2.352 253 G HA2 -0.221 3.739 3.960 0.000 0.000 0.283 253 G HA3 -0.221 3.739 3.960 0.000 0.000 0.283 253 G C -0.067 174.837 174.900 0.007 0.000 0.946 253 G CA 0.562 45.664 45.100 0.002 0.000 1.317 253 G HN 0.529 nan 8.290 nan 0.000 0.478 254 L N -2.879 118.348 121.223 0.006 0.000 2.367 254 L HA 0.536 4.876 4.340 0.000 0.000 0.263 254 L C 0.536 177.411 176.870 0.008 0.000 1.533 254 L CA -0.721 54.126 54.840 0.011 0.000 0.761 254 L CB 0.325 42.395 42.059 0.019 0.000 0.943 254 L HN 0.043 nan 8.230 nan 0.000 0.526 255 Q N 0.627 120.431 119.800 0.006 0.000 2.212 255 Q HA -0.016 4.324 4.340 0.000 0.000 0.199 255 Q C 1.149 177.156 176.000 0.011 0.000 0.950 255 Q CA 1.653 57.458 55.803 0.004 0.000 0.863 255 Q CB 0.048 28.788 28.738 0.003 0.000 0.944 255 Q HN 0.866 nan 8.270 nan 0.000 0.465 256 D N -1.363 119.046 120.400 0.014 0.000 2.340 256 D HA 0.046 4.686 4.640 0.000 0.000 0.220 256 D C 0.034 176.344 176.300 0.017 0.000 1.039 256 D CA 0.153 54.163 54.000 0.017 0.000 0.866 256 D CB 0.290 41.100 40.800 0.017 0.000 0.913 256 D HN 0.001 nan 8.370 nan 0.000 0.523 257 S N 0.683 116.393 115.700 0.017 0.000 2.440 257 S HA 0.297 4.767 4.470 0.000 0.000 0.142 257 S C -2.996 171.617 174.600 0.022 0.000 1.578 257 S CA -0.949 57.263 58.200 0.019 0.000 1.260 257 S CB 0.510 63.720 63.200 0.017 0.000 1.407 257 S HN -0.030 nan 8.310 nan 0.000 0.392 258 P HA 0.381 nan 4.420 nan 0.000 0.298 258 P C -0.286 177.039 177.300 0.043 0.000 1.314 258 P CA -0.486 62.629 63.100 0.026 0.000 0.854 258 P CB 1.624 33.331 31.700 0.012 0.000 1.019 259 V N 5.981 125.933 119.914 0.063 0.000 2.529 259 V HA 0.069 4.189 4.120 0.000 0.000 0.292 259 V C -1.842 174.312 176.094 0.099 0.000 1.028 259 V CA -0.932 61.425 62.300 0.095 0.000 1.074 259 V CB -0.133 31.779 31.823 0.149 0.000 0.958 259 V HN 0.565 nan 8.190 nan 0.000 0.481 260 P HA 0.389 nan 4.420 nan 0.000 0.271 260 P C -0.660 176.711 177.300 0.118 0.000 1.226 260 P CA 0.161 63.315 63.100 0.090 0.000 0.765 260 P CB 0.370 32.115 31.700 0.075 0.000 0.835 261 I N 2.844 123.446 120.570 0.054 0.000 2.548 261 I HA 0.412 4.582 4.170 0.000 0.000 0.287 261 I C -0.717 175.401 176.117 0.000 0.000 1.103 261 I CA -0.348 60.984 61.300 0.054 0.000 1.049 261 I CB 2.322 40.345 38.000 0.039 0.000 1.232 261 I HN 0.225 nan 8.210 nan 0.000 0.429 262 D N 3.434 123.833 120.400 -0.003 0.000 2.609 262 D HA 0.824 5.464 4.640 0.000 0.000 0.239 262 D C -0.725 175.558 176.300 -0.028 0.000 1.229 262 D CA 0.038 54.019 54.000 -0.031 0.000 0.808 262 D CB 3.145 43.911 40.800 -0.057 0.000 1.448 262 D HN 0.774 nan 8.370 nan 0.000 0.433 263 G N -0.241 108.532 108.800 -0.045 0.000 2.321 263 G HA2 0.381 4.341 3.960 0.000 0.000 0.296 263 G HA3 0.381 4.341 3.960 0.000 0.000 0.296 263 G C -1.510 173.343 174.900 -0.078 0.000 1.287 263 G CA -0.519 44.554 45.100 -0.045 0.000 0.846 263 G HN 0.345 nan 8.290 nan 0.000 0.508 264 T N 0.196 114.700 114.554 -0.083 0.000 2.771 264 T HA 0.482 4.832 4.350 0.000 0.000 0.281 264 T C -0.397 174.229 174.700 -0.125 0.000 0.982 264 T CA -0.051 61.975 62.100 -0.123 0.000 0.978 264 T CB 0.854 69.653 68.868 -0.115 0.000 0.930 264 T HN 0.632 nan 8.240 nan 0.000 0.447 265 C N 4.727 123.942 119.300 -0.141 0.000 2.246 265 C HA 0.613 5.073 4.460 0.000 0.000 0.329 265 C C 0.385 175.308 174.990 -0.112 0.000 1.221 265 C CA -0.748 58.196 59.018 -0.124 0.000 1.697 265 C CB -1.056 26.618 27.740 -0.110 0.000 2.312 265 C HN 0.633 nan 8.230 nan 0.000 0.509 266 V N 4.555 124.393 119.914 -0.126 0.000 2.628 266 V HA 0.521 4.641 4.120 0.000 0.000 0.306 266 V C 0.054 176.107 176.094 -0.068 0.000 1.045 266 V CA -0.771 61.469 62.300 -0.101 0.000 0.905 266 V CB 1.943 33.667 31.823 -0.164 0.000 0.997 266 V HN 0.773 nan 8.190 nan 0.000 0.436 267 R N 4.075 124.565 120.500 -0.016 0.000 2.297 267 R HA 0.722 5.062 4.340 0.000 0.000 0.308 267 R C -0.583 175.708 176.300 -0.016 0.000 1.029 267 R CA -0.270 55.836 56.100 0.011 0.000 0.929 267 R CB 0.852 31.183 30.300 0.051 0.000 1.046 267 R HN 0.808 nan 8.270 nan 0.000 0.461 268 I N -0.121 120.464 120.570 0.025 0.000 3.002 268 I HA 0.612 4.782 4.170 0.000 0.000 0.310 268 I C 0.331 176.468 176.117 0.033 0.000 1.087 268 I CA -1.381 59.940 61.300 0.035 0.000 1.017 268 I CB 2.356 40.430 38.000 0.123 0.000 1.226 268 I HN 0.672 nan 8.210 nan 0.000 0.443 269 G N 2.838 111.648 108.800 0.018 0.000 3.102 269 G HA2 0.525 4.485 3.960 0.000 0.000 0.264 269 G HA3 0.525 4.485 3.960 0.000 0.000 0.264 269 G C -0.030 174.911 174.900 0.069 0.000 0.788 269 G CA 0.064 45.177 45.100 0.021 0.000 2.029 269 G HN 0.922 nan 8.290 nan 0.000 0.608 270 A N 2.069 124.949 122.820 0.099 0.000 2.330 270 A HA 0.766 5.086 4.320 0.000 0.000 0.329 270 A C 1.058 178.709 177.584 0.111 0.000 1.135 270 A CA -0.755 51.348 52.037 0.110 0.000 0.817 270 A CB 1.269 20.352 19.000 0.138 0.000 1.269 270 A HN 0.241 nan 8.150 nan 0.000 0.469 271 M N 0.237 119.892 119.600 0.091 0.000 2.102 271 M HA 0.008 4.488 4.480 0.000 0.000 0.259 271 M C 1.560 177.906 176.300 0.076 0.000 1.083 271 M CA 1.837 57.187 55.300 0.083 0.000 1.141 271 M CB -0.703 31.933 32.600 0.060 0.000 1.318 271 M HN 0.892 nan 8.290 nan 0.000 0.421 272 R N -2.138 118.390 120.500 0.047 0.000 2.563 272 R HA 0.344 4.684 4.340 0.000 0.000 0.443 272 R C -0.746 175.517 176.300 -0.062 0.000 0.956 272 R CA -0.276 55.823 56.100 -0.003 0.000 1.141 272 R CB -0.591 29.702 30.300 -0.013 0.000 1.553 272 R HN 0.141 nan 8.270 nan 0.000 0.577 273 C N 2.477 121.776 119.300 -0.001 0.000 2.319 273 C HA 0.524 4.984 4.460 0.000 0.000 0.323 273 C C -0.369 174.682 174.990 0.102 0.000 1.277 273 C CA -0.737 58.278 59.018 -0.005 0.000 1.517 273 C CB 0.468 28.233 27.740 0.043 0.000 2.206 273 C HN 0.418 nan 8.230 nan 0.000 0.486 274 H N 1.112 120.211 119.070 0.050 0.000 2.511 274 H HA 0.544 5.100 4.556 0.000 0.000 0.346 274 H C -0.031 175.300 175.328 0.005 0.000 1.128 274 H CA 0.094 56.171 56.048 0.048 0.000 1.342 274 H CB 1.298 31.080 29.762 0.033 0.000 1.470 274 H HN 0.575 nan 8.280 nan 0.000 0.546 275 S N 1.975 117.762 115.700 0.145 0.000 2.526 275 S HA 0.462 4.932 4.470 0.000 0.000 0.293 275 S C -0.559 173.970 174.600 -0.118 0.000 1.092 275 S CA -0.861 57.275 58.200 -0.106 0.000 0.980 275 S CB 2.069 65.205 63.200 -0.107 0.000 1.048 275 S HN 0.502 nan 8.310 nan 0.000 0.483 276 Q N 0.911 120.434 119.800 -0.461 0.000 2.347 276 Q HA 0.697 5.037 4.340 0.000 0.000 0.271 276 Q C -1.316 174.469 176.000 -0.359 0.000 1.064 276 Q CA -0.829 54.837 55.803 -0.228 0.000 0.800 276 Q CB 2.311 30.972 28.738 -0.129 0.000 1.304 276 Q HN 0.716 nan 8.270 nan 0.000 0.438 277 A N 3.324 126.197 122.820 0.087 0.000 2.316 277 A HA 0.519 4.839 4.320 0.000 0.000 0.324 277 A C -1.045 176.641 177.584 0.171 0.000 1.375 277 A CA -0.518 51.679 52.037 0.266 0.000 0.882 277 A CB 0.249 19.562 19.000 0.521 0.000 1.152 277 A HN 0.431 nan 8.150 nan 0.000 0.512 278 L N 2.000 123.291 121.223 0.112 0.000 2.289 278 L HA 0.489 4.829 4.340 0.000 0.000 0.285 278 L C 0.393 177.320 176.870 0.094 0.000 1.049 278 L CA 0.072 54.969 54.840 0.094 0.000 0.804 278 L CB 0.861 42.955 42.059 0.058 0.000 1.195 278 L HN 0.536 nan 8.230 nan 0.000 0.428 279 T N 4.548 119.168 114.554 0.110 0.000 3.016 279 T HA 0.491 4.841 4.350 0.000 0.000 0.335 279 T C 0.584 175.245 174.700 -0.064 0.000 1.176 279 T CA -0.159 61.990 62.100 0.082 0.000 0.987 279 T CB -0.189 68.810 68.868 0.219 0.000 1.073 279 T HN 0.267 nan 8.240 nan 0.000 0.547 280 I N 3.196 123.663 120.570 -0.172 0.000 2.322 280 I HA 0.260 4.430 4.170 0.000 0.000 0.292 280 I C 0.519 176.263 176.117 -0.621 0.000 1.060 280 I CA -0.723 60.392 61.300 -0.307 0.000 1.309 280 I CB 0.695 38.583 38.000 -0.186 0.000 1.415 280 I HN 0.219 nan 8.210 nan 0.000 0.492 281 K N 8.020 127.804 120.400 -1.027 0.000 2.231 281 K HA 0.419 4.739 4.320 0.000 0.000 0.275 281 K C -0.690 175.449 176.600 -0.769 0.000 1.105 281 K CA -0.180 55.311 56.287 -1.327 0.000 0.931 281 K CB 0.170 31.138 32.500 -2.553 0.000 1.296 281 K HN 0.513 nan 8.250 nan 0.000 0.446 282 L N 3.677 124.605 121.223 -0.493 0.000 2.475 282 L HA 0.238 4.578 4.340 0.000 0.000 0.253 282 L C 1.301 178.024 176.870 -0.244 0.000 1.198 282 L CA -0.284 54.365 54.840 -0.318 0.000 0.814 282 L CB 0.727 42.657 42.059 -0.216 0.000 1.134 282 L HN 0.659 nan 8.230 nan 0.000 0.478 283 K N -0.066 120.230 120.400 -0.172 0.000 2.202 283 K HA 0.044 4.364 4.320 0.000 0.000 0.201 283 K C -0.285 176.274 176.600 -0.069 0.000 1.051 283 K CA 0.638 56.858 56.287 -0.111 0.000 0.977 283 K CB 0.314 32.760 32.500 -0.090 0.000 0.792 283 K HN 0.488 nan 8.250 nan 0.000 0.469 284 Q N 1.147 120.906 119.800 -0.068 0.000 2.327 284 Q HA 0.172 4.512 4.340 0.000 0.000 0.270 284 Q C -1.061 174.915 176.000 -0.040 0.000 1.022 284 Q CA -0.801 54.975 55.803 -0.044 0.000 0.773 284 Q CB 1.427 30.142 28.738 -0.039 0.000 1.251 284 Q HN -0.035 nan 8.270 nan 0.000 0.457 285 N N 3.692 122.378 118.700 -0.024 0.000 2.291 285 N HA -0.085 4.655 4.740 0.000 0.000 0.281 285 N C -1.143 174.353 175.510 -0.023 0.000 1.388 285 N CA 0.672 53.712 53.050 -0.017 0.000 0.920 285 N CB 0.160 38.644 38.487 -0.006 0.000 1.276 285 N HN 0.609 nan 8.380 nan 0.000 0.493 286 I N 4.400 124.952 120.570 -0.030 0.000 2.460 286 I HA 0.349 4.519 4.170 0.000 0.000 0.298 286 I C -1.969 174.135 176.117 -0.022 0.000 0.989 286 I CA -2.545 58.737 61.300 -0.029 0.000 1.173 286 I CB 1.770 39.747 38.000 -0.039 0.000 1.338 286 I HN 0.310 nan 8.210 nan 0.000 0.456 287 P HA 0.015 nan 4.420 nan 0.000 0.268 287 P C 0.512 177.804 177.300 -0.014 0.000 1.204 287 P CA -0.246 62.846 63.100 -0.013 0.000 0.768 287 P CB 0.705 32.398 31.700 -0.012 0.000 0.842 288 L N 3.774 124.991 121.223 -0.010 0.000 2.127 288 L HA -0.218 4.122 4.340 0.000 0.000 0.211 288 L C 1.816 178.682 176.870 -0.008 0.000 1.089 288 L CA 2.006 56.841 54.840 -0.008 0.000 0.757 288 L CB -1.133 40.925 42.059 -0.003 0.000 0.899 288 L HN 0.405 nan 8.230 nan 0.000 0.434 289 D N -0.792 119.604 120.400 -0.007 0.000 2.133 289 D HA -0.267 4.373 4.640 0.000 0.000 0.195 289 D C 1.914 178.209 176.300 -0.009 0.000 0.997 289 D CA 1.910 55.906 54.000 -0.007 0.000 0.840 289 D CB 0.039 40.834 40.800 -0.007 0.000 0.947 289 D HN 0.519 nan 8.370 nan 0.000 0.452 290 E N -0.770 119.423 120.200 -0.011 0.000 2.250 290 E HA 0.023 4.373 4.350 0.000 0.000 0.192 290 E C 2.097 178.688 176.600 -0.014 0.000 0.986 290 E CA 0.108 56.500 56.400 -0.013 0.000 0.849 290 E CB 0.180 29.870 29.700 -0.016 0.000 0.797 290 E HN 0.358 nan 8.360 nan 0.000 0.482 291 I N 1.447 122.007 120.570 -0.017 0.000 2.286 291 I HA -0.230 3.940 4.170 0.000 0.000 0.248 291 I C 1.932 178.043 176.117 -0.010 0.000 1.115 291 I CA 1.479 62.767 61.300 -0.020 0.000 1.392 291 I CB -0.865 37.121 38.000 -0.024 0.000 1.065 291 I HN 0.199 nan 8.210 nan 0.000 0.418 292 E N 0.626 120.822 120.200 -0.006 0.000 2.051 292 E HA -0.255 4.095 4.350 0.000 0.000 0.192 292 E C 2.083 178.683 176.600 0.000 0.000 0.991 292 E CA 1.277 57.676 56.400 -0.001 0.000 0.799 292 E CB -0.003 29.696 29.700 -0.001 0.000 0.748 292 E HN 0.361 nan 8.360 nan 0.000 0.449 293 E N 0.522 120.720 120.200 -0.003 0.000 2.031 293 E HA -0.149 4.201 4.350 0.000 0.000 0.193 293 E C 2.016 178.618 176.600 0.003 0.000 0.994 293 E CA 1.217 57.615 56.400 -0.004 0.000 0.800 293 E CB -0.054 29.641 29.700 -0.008 0.000 0.752 293 E HN 0.203 nan 8.360 nan 0.000 0.447 294 M N -0.299 119.302 119.600 0.003 0.000 2.082 294 M HA -0.217 4.263 4.480 0.000 0.000 0.258 294 M C 2.210 178.535 176.300 0.042 0.000 1.069 294 M CA 1.466 56.775 55.300 0.015 0.000 1.102 294 M CB -0.490 32.113 32.600 0.005 0.000 1.336 294 M HN 0.135 nan 8.290 nan 0.000 0.404 295 I N 0.200 120.787 120.570 0.030 0.000 2.090 295 I HA -0.256 3.914 4.170 0.000 0.000 0.236 295 I C 2.784 178.929 176.117 0.047 0.000 1.064 295 I CA 1.363 62.685 61.300 0.037 0.000 1.324 295 I CB -0.634 37.374 38.000 0.014 0.000 1.044 295 I HN 0.279 nan 8.210 nan 0.000 0.399 296 A N 0.648 123.482 122.820 0.024 0.000 1.986 296 A HA -0.272 4.048 4.320 0.000 0.000 0.220 296 A C 2.319 179.909 177.584 0.010 0.000 1.171 296 A CA 2.675 54.720 52.037 0.013 0.000 0.640 296 A CB -1.240 17.760 19.000 0.000 0.000 0.811 296 A HN 0.606 nan 8.150 nan 0.000 0.451 297 T N -4.186 110.377 114.554 0.015 0.000 3.067 297 T HA -0.078 4.272 4.350 0.000 0.000 0.261 297 T C 1.758 176.457 174.700 -0.003 0.000 1.110 297 T CA 1.097 63.193 62.100 -0.007 0.000 1.113 297 T CB -0.553 68.305 68.868 -0.018 0.000 0.917 297 T HN 0.600 nan 8.240 nan 0.000 0.499 298 H N 3.853 122.908 119.070 -0.025 0.000 2.353 298 H HA -0.060 4.496 4.556 0.000 0.000 0.298 298 H C 0.727 176.047 175.328 -0.014 0.000 1.103 298 H CA 2.029 58.066 56.048 -0.017 0.000 1.293 298 H CB -0.060 29.695 29.762 -0.012 0.000 1.372 298 H HN 0.750 nan 8.280 nan 0.000 0.501 299 N N -1.583 117.196 118.700 0.132 0.000 2.927 299 N HA 0.020 4.760 4.740 0.000 0.000 0.248 299 N C -0.498 174.958 175.510 -0.090 0.000 1.443 299 N CA -0.433 52.669 53.050 0.087 0.000 0.870 299 N CB 0.639 39.341 38.487 0.358 0.000 1.444 299 N HN -0.224 nan 8.380 nan 0.000 0.519 300 D N -0.731 119.407 120.400 -0.435 0.000 2.378 300 D HA -0.028 4.612 4.640 0.000 0.000 0.227 300 D C 0.040 175.850 176.300 -0.818 0.000 1.012 300 D CA 0.876 54.420 54.000 -0.761 0.000 0.905 300 D CB 0.192 40.333 40.800 -1.099 0.000 0.895 300 D HN 0.555 nan 8.370 nan 0.000 0.532 301 W N 0.672 121.988 121.300 0.026 0.000 2.792 301 W HA 0.156 4.816 4.660 0.000 0.000 0.262 301 W C 0.900 177.419 176.519 -0.001 0.000 1.212 301 W CA -0.293 57.082 57.345 0.049 0.000 1.433 301 W CB -0.106 29.415 29.460 0.102 0.000 1.004 301 W HN -0.291 nan 8.180 nan 0.000 0.608 302 V N 3.565 123.568 119.914 0.148 0.000 2.585 302 V HA 0.054 4.175 4.120 0.000 0.000 0.296 302 V C 0.043 176.162 176.094 0.041 0.000 1.035 302 V CA 0.601 62.942 62.300 0.068 0.000 1.084 302 V CB 0.676 32.518 31.823 0.032 0.000 0.953 302 V HN 0.014 nan 8.190 nan 0.000 0.483 303 K N 5.865 126.291 120.400 0.043 0.000 2.463 303 K HA 0.553 4.873 4.320 0.000 0.000 0.255 303 K C -1.361 175.256 176.600 0.028 0.000 0.942 303 K CA -0.736 55.569 56.287 0.030 0.000 0.814 303 K CB 1.937 34.461 32.500 0.040 0.000 1.122 303 K HN 0.570 nan 8.250 nan 0.000 0.425 304 V N 6.041 125.967 119.914 0.019 0.000 2.530 304 V HA 0.245 4.365 4.120 0.000 0.000 0.282 304 V C 0.262 176.369 176.094 0.023 0.000 1.048 304 V CA -0.288 62.024 62.300 0.021 0.000 0.997 304 V CB 0.931 32.762 31.823 0.013 0.000 0.987 304 V HN 0.699 nan 8.190 nan 0.000 0.477 305 I N 7.018 127.606 120.570 0.030 0.000 2.359 305 I HA 0.325 4.495 4.170 0.000 0.000 0.284 305 I C -2.180 173.951 176.117 0.024 0.000 1.018 305 I CA -1.955 59.362 61.300 0.030 0.000 1.173 305 I CB 1.794 39.819 38.000 0.041 0.000 1.326 305 I HN 0.472 nan 8.210 nan 0.000 0.462 306 P HA -0.163 nan 4.420 nan 0.000 0.260 306 P C -0.108 177.199 177.300 0.011 0.000 1.147 306 P CA 0.344 63.451 63.100 0.011 0.000 0.758 306 P CB 0.245 31.950 31.700 0.008 0.000 0.744 307 N N 2.918 121.624 118.700 0.010 0.000 3.167 307 N HA -0.075 4.665 4.740 0.000 0.000 0.318 307 N C -0.206 175.304 175.510 0.001 0.000 1.268 307 N CA 0.334 53.389 53.050 0.007 0.000 1.197 307 N CB -0.482 38.011 38.487 0.009 0.000 1.464 307 N HN 0.226 nan 8.380 nan 0.000 0.555 308 E N 0.652 120.851 120.200 -0.001 0.000 2.199 308 E HA 0.170 4.520 4.350 0.000 0.000 0.269 308 E C 0.546 177.140 176.600 -0.009 0.000 0.899 308 E CA -0.544 55.853 56.400 -0.004 0.000 0.772 308 E CB 1.488 31.187 29.700 -0.001 0.000 1.155 308 E HN 0.351 nan 8.360 nan 0.000 0.408 309 R N 3.044 123.537 120.500 -0.013 0.000 2.171 309 R HA -0.250 4.090 4.340 0.000 0.000 0.226 309 R C 0.895 177.185 176.300 -0.016 0.000 1.113 309 R CA 2.776 58.865 56.100 -0.019 0.000 0.887 309 R CB -0.286 30.004 30.300 -0.017 0.000 0.830 309 R HN 0.531 nan 8.270 nan 0.000 0.432 310 D N -0.002 120.392 120.400 -0.011 0.000 2.154 310 D HA -0.238 4.402 4.640 0.000 0.000 0.190 310 D C 1.780 178.078 176.300 -0.005 0.000 1.003 310 D CA 1.942 55.937 54.000 -0.008 0.000 0.849 310 D CB -0.183 40.614 40.800 -0.004 0.000 0.942 310 D HN 0.386 nan 8.370 nan 0.000 0.446 311 I N -0.038 120.531 120.570 -0.002 0.000 2.394 311 I HA -0.251 3.919 4.170 0.000 0.000 0.251 311 I C 1.715 177.835 176.117 0.005 0.000 1.136 311 I CA 1.200 62.502 61.300 0.004 0.000 1.425 311 I CB -0.051 37.953 38.000 0.006 0.000 1.079 311 I HN -0.010 nan 8.210 nan 0.000 0.425 312 T N 1.130 115.684 114.554 -0.001 0.000 2.788 312 T HA -0.120 4.230 4.350 0.000 0.000 0.268 312 T C 1.896 176.592 174.700 -0.008 0.000 1.044 312 T CA 1.333 63.432 62.100 -0.001 0.000 1.139 312 T CB -0.305 68.552 68.868 -0.018 0.000 0.867 312 T HN 0.575 nan 8.240 nan 0.000 0.454 313 A N 1.645 124.456 122.820 -0.015 0.000 1.930 313 A HA -0.083 4.237 4.320 0.000 0.000 0.217 313 A C 2.369 179.952 177.584 -0.001 0.000 1.175 313 A CA 1.196 53.223 52.037 -0.017 0.000 0.627 313 A CB -0.326 18.663 19.000 -0.018 0.000 0.815 313 A HN 0.447 nan 8.150 nan 0.000 0.443 314 R N -0.645 119.858 120.500 0.006 0.000 2.066 314 R HA 0.002 4.342 4.340 0.000 0.000 0.224 314 R C 1.989 178.303 176.300 0.023 0.000 1.122 314 R CA 1.164 57.273 56.100 0.014 0.000 0.974 314 R CB -0.244 30.064 30.300 0.013 0.000 0.871 314 R HN 0.447 nan 8.270 nan 0.000 0.435 315 E N 0.782 120.997 120.200 0.026 0.000 2.076 315 E HA -0.083 4.267 4.350 0.000 0.000 0.190 315 E C 0.616 177.248 176.600 0.054 0.000 0.979 315 E CA 0.630 57.053 56.400 0.037 0.000 0.807 315 E CB 0.040 29.760 29.700 0.034 0.000 0.761 315 E HN 0.056 nan 8.360 nan 0.000 0.454 316 L N 2.262 123.520 121.223 0.060 0.000 2.598 316 L HA 0.154 4.494 4.340 0.000 0.000 0.241 316 L C -0.478 176.465 176.870 0.122 0.000 1.244 316 L CA 0.127 55.030 54.840 0.106 0.000 1.198 316 L CB -0.216 41.928 42.059 0.142 0.000 1.448 316 L HN -0.028 nan 8.230 nan 0.000 0.406 317 T N -1.997 112.615 114.554 0.096 0.000 2.894 317 T HA 0.468 4.818 4.350 0.000 0.000 0.309 317 T C -2.316 172.435 174.700 0.084 0.000 1.208 317 T CA -1.583 60.572 62.100 0.092 0.000 1.016 317 T CB 1.701 70.600 68.868 0.051 0.000 1.192 317 T HN -0.134 nan 8.240 nan 0.000 0.491 318 P HA -0.093 nan 4.420 nan 0.000 0.216 318 P C 1.734 179.070 177.300 0.061 0.000 1.150 318 P CA 1.788 64.934 63.100 0.077 0.000 0.843 318 P CB -0.205 31.548 31.700 0.088 0.000 0.787 319 A N -0.048 122.806 122.820 0.055 0.000 1.859 319 A HA -0.290 4.030 4.320 0.000 0.000 0.217 319 A C 2.301 179.910 177.584 0.043 0.000 1.198 319 A CA 2.572 54.636 52.037 0.045 0.000 0.629 319 A CB -1.287 17.736 19.000 0.039 0.000 0.830 319 A HN 0.070 nan 8.150 nan 0.000 0.446 320 K N -0.371 120.056 120.400 0.045 0.000 2.057 320 K HA -0.035 4.285 4.320 0.000 0.000 0.206 320 K C 1.694 178.324 176.600 0.050 0.000 1.050 320 K CA 1.889 58.203 56.287 0.044 0.000 0.935 320 K CB -0.691 31.836 32.500 0.045 0.000 0.715 320 K HN 0.226 nan 8.250 nan 0.000 0.439 321 V N 0.463 120.410 119.914 0.056 0.000 2.453 321 V HA -0.098 4.022 4.120 0.000 0.000 0.247 321 V C 1.248 177.373 176.094 0.051 0.000 1.048 321 V CA 1.421 63.757 62.300 0.061 0.000 1.049 321 V CB -0.767 31.096 31.823 0.067 0.000 0.672 321 V HN 0.452 nan 8.190 nan 0.000 0.457 322 T N 0.559 115.138 114.554 0.042 0.000 2.765 322 T HA 0.230 4.580 4.350 0.000 0.000 0.275 322 T C 1.286 176.001 174.700 0.024 0.000 1.007 322 T CA 1.541 63.658 62.100 0.030 0.000 1.175 322 T CB -0.130 68.757 68.868 0.031 0.000 0.993 322 T HN 1.043 nan 8.240 nan 0.000 0.510 323 G N 3.465 112.271 108.800 0.011 0.000 2.268 323 G HA2 -0.261 3.699 3.960 0.000 0.000 0.240 323 G HA3 -0.261 3.699 3.960 0.000 0.000 0.240 323 G C 0.374 175.278 174.900 0.006 0.000 1.010 323 G CA 0.589 45.692 45.100 0.004 0.000 0.618 323 G HN 1.388 nan 8.290 nan 0.000 0.516 324 T N -0.986 113.587 114.554 0.031 0.000 2.934 324 T HA 0.714 5.064 4.350 0.000 0.000 0.283 324 T C 1.208 175.956 174.700 0.079 0.000 1.005 324 T CA -0.350 61.784 62.100 0.057 0.000 1.041 324 T CB 2.011 70.929 68.868 0.083 0.000 1.042 324 T HN 0.292 nan 8.240 nan 0.000 0.505 325 L N 1.303 122.598 121.223 0.120 0.000 2.611 325 L HA 0.223 4.563 4.340 0.000 0.000 0.229 325 L C 1.547 178.700 176.870 0.472 0.000 1.137 325 L CA -0.154 54.797 54.840 0.184 0.000 0.901 325 L CB 0.058 42.157 42.059 0.066 0.000 1.098 325 L HN 0.765 nan 8.230 nan 0.000 0.456 326 S N -0.202 115.697 115.700 0.332 0.000 2.564 326 S HA 0.245 4.715 4.470 0.000 0.000 0.278 326 S C 0.010 174.757 174.600 0.245 0.000 1.333 326 S CA -0.372 58.009 58.200 0.302 0.000 1.048 326 S CB 0.995 64.303 63.200 0.180 0.000 0.900 326 S HN -0.034 nan 8.310 nan 0.000 0.505 327 V N 7.963 128.000 119.914 0.204 0.000 2.313 327 V HA 0.343 4.463 4.120 0.000 0.000 0.262 327 V C -2.098 174.035 176.094 0.064 0.000 1.011 327 V CA -1.572 60.793 62.300 0.107 0.000 0.858 327 V CB 0.868 32.708 31.823 0.030 0.000 1.104 327 V HN 0.768 nan 8.190 nan 0.000 0.456 328 P HA 0.168 nan 4.420 nan 0.000 0.269 328 P C -0.658 176.664 177.300 0.037 0.000 1.209 328 P CA 0.363 63.496 63.100 0.054 0.000 0.776 328 P CB 2.367 34.107 31.700 0.066 0.000 0.876 329 V N 2.139 122.077 119.914 0.040 0.000 2.711 329 V HA 0.793 4.913 4.120 0.000 0.000 0.304 329 V C -0.414 175.716 176.094 0.059 0.000 1.097 329 V CA 0.059 62.381 62.300 0.038 0.000 0.906 329 V CB 1.630 33.461 31.823 0.012 0.000 1.015 329 V HN 0.888 nan 8.190 nan 0.000 0.427 330 G N 4.292 113.150 108.800 0.096 0.000 2.815 330 G HA2 0.617 4.577 3.960 0.000 0.000 0.305 330 G HA3 0.617 4.577 3.960 0.000 0.000 0.305 330 G C -0.448 174.513 174.900 0.103 0.000 1.277 330 G CA -0.504 44.647 45.100 0.085 0.000 0.795 330 G HN 0.952 nan 8.290 nan 0.000 0.528 331 R N -1.426 119.115 120.500 0.069 0.000 3.641 331 R HA -0.131 4.209 4.340 0.000 0.000 0.286 331 R C -0.023 176.311 176.300 0.058 0.000 1.153 331 R CA 0.281 56.415 56.100 0.056 0.000 0.775 331 R CB -2.590 27.752 30.300 0.069 0.000 1.215 331 R HN 0.455 nan 8.270 nan 0.000 0.474 332 L N 2.007 123.257 121.223 0.045 0.000 2.385 332 L HA 0.237 4.577 4.340 0.000 0.000 0.281 332 L C 1.152 178.037 176.870 0.025 0.000 1.106 332 L CA 0.319 55.179 54.840 0.034 0.000 0.856 332 L CB 0.311 42.385 42.059 0.024 0.000 1.186 332 L HN 0.212 nan 8.230 nan 0.000 0.453 333 R N 2.011 122.528 120.500 0.027 0.000 2.664 333 R HA 0.502 4.842 4.340 0.000 0.000 0.266 333 R C -1.446 174.873 176.300 0.031 0.000 1.046 333 R CA -1.219 54.896 56.100 0.024 0.000 0.885 333 R CB 1.208 31.523 30.300 0.025 0.000 1.254 333 R HN 0.058 nan 8.270 nan 0.000 0.465 334 K N 1.968 122.384 120.400 0.028 0.000 2.202 334 K HA 0.295 4.616 4.320 0.000 0.000 0.264 334 K C 0.099 176.732 176.600 0.054 0.000 1.010 334 K CA -0.071 56.241 56.287 0.041 0.000 0.940 334 K CB 0.657 33.174 32.500 0.029 0.000 0.983 334 K HN 0.580 nan 8.250 nan 0.000 0.475 335 M N 0.467 120.122 119.600 0.091 0.000 2.613 335 M HA 0.243 4.723 4.480 0.000 0.000 0.301 335 M C 1.286 177.596 176.300 0.016 0.000 1.205 335 M CA -0.511 54.841 55.300 0.086 0.000 0.950 335 M CB 1.236 33.944 32.600 0.180 0.000 1.585 335 M HN 0.686 nan 8.290 nan 0.000 0.490 336 A N 1.106 123.926 122.820 -0.000 0.000 2.245 336 A HA -0.076 4.244 4.320 0.000 0.000 0.217 336 A C 0.846 178.349 177.584 -0.135 0.000 1.171 336 A CA 1.446 53.455 52.037 -0.046 0.000 0.688 336 A CB -0.801 18.185 19.000 -0.022 0.000 0.781 336 A HN 0.748 nan 8.150 nan 0.000 0.479 337 M N -0.311 119.137 119.600 -0.254 0.000 3.074 337 M HA 0.487 4.968 4.480 0.000 0.000 0.252 337 M C 0.258 176.123 176.300 -0.725 0.000 1.181 337 M CA 0.812 55.751 55.300 -0.602 0.000 0.771 337 M CB 0.828 32.800 32.600 -1.046 0.000 1.375 337 M HN 0.481 nan 8.290 nan 0.000 0.512 338 G N -0.030 108.596 108.800 -0.290 0.000 2.692 338 G HA2 -0.160 3.800 3.960 0.000 0.000 0.686 338 G HA3 -0.160 3.800 3.960 0.000 0.000 0.686 338 G C -0.526 174.377 174.900 0.005 0.000 1.243 338 G CA -0.952 44.066 45.100 -0.137 0.000 0.782 338 G HN 0.494 nan 8.290 nan 0.000 0.625 339 D N 0.062 120.477 120.400 0.024 0.000 2.363 339 D HA 0.155 4.795 4.640 0.000 0.000 0.226 339 D C 1.537 177.869 176.300 0.054 0.000 1.020 339 D CA 1.223 55.245 54.000 0.036 0.000 0.892 339 D CB 0.238 41.045 40.800 0.010 0.000 0.900 339 D HN 0.536 nan 8.370 nan 0.000 0.531 340 D N -0.840 119.628 120.400 0.112 0.000 2.424 340 D HA 0.001 4.641 4.640 0.000 0.000 0.220 340 D C -0.434 175.898 176.300 0.053 0.000 1.150 340 D CA -0.426 53.609 54.000 0.059 0.000 0.831 340 D CB -0.568 40.253 40.800 0.035 0.000 0.981 340 D HN 0.002 nan 8.370 nan 0.000 0.500 341 F N 1.254 121.128 119.950 -0.127 0.000 2.366 341 F HA 0.367 4.894 4.527 0.000 0.000 0.366 341 F C -0.534 175.207 175.800 -0.098 0.000 1.096 341 F CA -1.322 56.596 58.000 -0.137 0.000 1.060 341 F CB 1.535 40.491 39.000 -0.074 0.000 1.282 341 F HN -0.135 nan 8.300 nan 0.000 0.450 342 L N 5.449 126.632 121.223 -0.066 0.000 2.287 342 L HA 0.473 4.813 4.340 0.000 0.000 0.287 342 L C -0.383 176.480 176.870 -0.012 0.000 1.022 342 L CA -0.193 54.629 54.840 -0.030 0.000 0.814 342 L CB 0.875 42.891 42.059 -0.071 0.000 1.217 342 L HN 0.482 nan 8.230 nan 0.000 0.420 343 N N 4.179 122.902 118.700 0.037 0.000 2.524 343 N HA 0.736 5.476 4.740 0.000 0.000 0.283 343 N C -1.333 174.214 175.510 0.062 0.000 1.142 343 N CA 0.158 53.245 53.050 0.062 0.000 0.984 343 N CB 1.674 40.211 38.487 0.083 0.000 1.155 343 N HN 0.862 nan 8.380 nan 0.000 0.467 344 A N 2.620 125.493 122.820 0.088 0.000 2.540 344 A HA 0.526 4.846 4.320 0.000 0.000 0.297 344 A C -1.964 175.710 177.584 0.151 0.000 1.056 344 A CA -0.648 51.446 52.037 0.095 0.000 0.700 344 A CB 0.749 19.776 19.000 0.045 0.000 1.280 344 A HN 0.590 nan 8.150 nan 0.000 0.398 345 F N 1.552 121.505 119.950 0.005 0.000 2.518 345 F HA 0.741 5.268 4.527 0.000 0.000 0.323 345 F C 0.037 175.831 175.800 -0.011 0.000 1.129 345 F CA 0.085 58.080 58.000 -0.009 0.000 0.920 345 F CB 2.230 41.207 39.000 -0.038 0.000 1.160 345 F HN 0.637 nan 8.300 nan 0.000 0.440 346 T N 5.322 119.571 114.554 -0.508 0.000 2.893 346 T HA 0.773 5.123 4.350 0.000 0.000 0.291 346 T C -1.720 172.766 174.700 -0.358 0.000 1.028 346 T CA -0.472 61.462 62.100 -0.277 0.000 0.995 346 T CB 1.300 70.076 68.868 -0.152 0.000 1.051 346 T HN 0.384 nan 8.240 nan 0.000 0.470 347 V N 2.435 122.274 119.914 -0.126 0.000 2.680 347 V HA 0.944 5.064 4.120 0.000 0.000 0.309 347 V C 0.507 176.600 176.094 -0.001 0.000 1.052 347 V CA -0.623 61.643 62.300 -0.056 0.000 0.908 347 V CB 1.806 33.655 31.823 0.043 0.000 1.001 347 V HN 1.161 nan 8.190 nan 0.000 0.431 348 G N 1.144 109.956 108.800 0.020 0.000 2.766 348 G HA2 0.419 4.379 3.960 0.000 0.000 0.297 348 G HA3 0.419 4.379 3.960 0.000 0.000 0.297 348 G C -1.615 173.297 174.900 0.020 0.000 1.431 348 G CA -0.507 44.618 45.100 0.042 0.000 1.042 348 G HN 0.608 nan 8.290 nan 0.000 0.542 349 D N 1.083 121.506 120.400 0.038 0.000 2.417 349 D HA 0.036 4.676 4.640 0.000 0.000 0.250 349 D C 1.403 177.660 176.300 -0.072 0.000 1.166 349 D CA -0.132 53.855 54.000 -0.020 0.000 0.881 349 D CB 1.709 42.507 40.800 -0.004 0.000 1.164 349 D HN 0.496 nan 8.370 nan 0.000 0.467 350 Q N 3.781 123.456 119.800 -0.209 0.000 2.389 350 Q HA -0.007 4.333 4.340 0.000 0.000 0.204 350 Q C 1.345 177.261 176.000 -0.140 0.000 0.944 350 Q CA 0.992 56.625 55.803 -0.285 0.000 0.908 350 Q CB -0.035 28.241 28.738 -0.769 0.000 1.002 350 Q HN 0.602 nan 8.270 nan 0.000 0.493 351 L N -0.498 120.659 121.223 -0.111 0.000 2.270 351 L HA 0.087 4.427 4.340 0.000 0.000 0.210 351 L C 1.804 178.608 176.870 -0.111 0.000 1.104 351 L CA 0.365 55.154 54.840 -0.085 0.000 0.804 351 L CB -0.094 41.924 42.059 -0.068 0.000 0.937 351 L HN 0.280 nan 8.230 nan 0.000 0.450 352 L N -1.878 119.262 121.223 -0.137 0.000 2.129 352 L HA -0.041 4.299 4.340 0.000 0.000 0.200 352 L C 2.192 178.888 176.870 -0.290 0.000 1.159 352 L CA 1.090 55.771 54.840 -0.266 0.000 0.795 352 L CB -0.625 41.238 42.059 -0.327 0.000 0.951 352 L HN 0.165 nan 8.230 nan 0.000 0.463 353 W N 0.165 121.374 121.300 -0.151 0.000 2.436 353 W HA -0.031 4.629 4.660 0.000 0.000 0.284 353 W C 2.144 178.590 176.519 -0.123 0.000 1.225 353 W CA 0.669 57.913 57.345 -0.170 0.000 1.271 353 W CB -0.288 29.064 29.460 -0.179 0.000 1.114 353 W HN 0.225 nan 8.180 nan 0.000 0.559 354 G N -0.772 108.100 108.800 0.120 0.000 2.956 354 G HA2 0.269 4.229 3.960 0.000 0.000 0.207 354 G HA3 0.269 4.229 3.960 0.000 0.000 0.207 354 G C 0.732 175.652 174.900 0.034 0.000 1.162 354 G CA 0.789 45.928 45.100 0.065 0.000 0.796 354 G HN 0.270 nan 8.290 nan 0.000 0.527 355 A N -1.058 121.765 122.820 0.005 0.000 2.134 355 A HA 0.622 4.942 4.320 0.000 0.000 0.169 355 A C 1.938 179.493 177.584 -0.048 0.000 1.465 355 A CA 1.207 53.237 52.037 -0.012 0.000 1.855 355 A CB -0.976 18.015 19.000 -0.016 0.000 1.812 355 A HN 0.670 nan 8.150 nan 0.000 0.866 356 A N -0.078 122.683 122.820 -0.098 0.000 1.878 356 A HA 0.145 4.465 4.320 0.000 0.000 0.213 356 A C 1.752 179.214 177.584 -0.204 0.000 1.192 356 A CA 2.128 54.086 52.037 -0.131 0.000 0.619 356 A CB -0.550 18.370 19.000 -0.135 0.000 0.837 356 A HN 0.530 nan 8.150 nan 0.000 0.446 357 E N 0.487 120.486 120.200 -0.335 0.000 2.065 357 E HA -0.172 4.178 4.350 0.000 0.000 0.201 357 E C -0.605 175.786 176.600 -0.349 0.000 1.016 357 E CA 2.411 58.496 56.400 -0.525 0.000 0.818 357 E CB -0.982 28.024 29.700 -1.157 0.000 0.749 357 E HN 0.435 nan 8.360 nan 0.000 0.453 358 P HA -0.208 nan 4.420 nan 0.000 0.216 358 P C 1.495 178.745 177.300 -0.084 0.000 1.157 358 P CA 1.535 64.616 63.100 -0.032 0.000 0.880 358 P CB -0.223 31.510 31.700 0.054 0.000 0.791 359 L N -0.093 121.075 121.223 -0.092 0.000 1.971 359 L HA -0.219 4.121 4.340 0.000 0.000 0.215 359 L C 3.097 179.885 176.870 -0.138 0.000 1.072 359 L CA 2.516 57.300 54.840 -0.093 0.000 0.758 359 L CB -1.286 40.723 42.059 -0.083 0.000 0.889 359 L HN 0.018 nan 8.230 nan 0.000 0.433 360 R N 0.475 120.870 120.500 -0.175 0.000 2.096 360 R HA -0.149 4.191 4.340 0.000 0.000 0.235 360 R C 2.293 178.478 176.300 -0.190 0.000 1.127 360 R CA 1.254 57.232 56.100 -0.204 0.000 0.968 360 R CB -0.543 29.611 30.300 -0.244 0.000 0.861 360 R HN 0.313 nan 8.270 nan 0.000 0.440 361 R N 0.447 120.838 120.500 -0.182 0.000 2.073 361 R HA -0.059 4.281 4.340 0.000 0.000 0.234 361 R C 2.335 178.545 176.300 -0.149 0.000 1.134 361 R CA 1.964 57.978 56.100 -0.143 0.000 0.952 361 R CB -0.862 29.377 30.300 -0.102 0.000 0.850 361 R HN 0.282 nan 8.270 nan 0.000 0.433 362 T N 2.266 116.720 114.554 -0.166 0.000 2.699 362 T HA -0.160 4.190 4.350 0.000 0.000 0.268 362 T C 1.784 176.318 174.700 -0.277 0.000 1.036 362 T CA 1.513 63.467 62.100 -0.243 0.000 1.147 362 T CB -0.282 68.436 68.868 -0.250 0.000 0.862 362 T HN 0.115 nan 8.240 nan 0.000 0.446 363 L N 1.482 122.575 121.223 -0.218 0.000 1.970 363 L HA -0.063 4.277 4.340 0.000 0.000 0.212 363 L C 2.399 179.157 176.870 -0.188 0.000 1.071 363 L CA 1.831 56.550 54.840 -0.202 0.000 0.751 363 L CB -0.614 41.343 42.059 -0.169 0.000 0.889 363 L HN -0.042 nan 8.230 nan 0.000 0.432 364 R N 0.070 120.473 120.500 -0.161 0.000 2.154 364 R HA -0.173 4.167 4.340 0.000 0.000 0.248 364 R C 2.279 178.503 176.300 -0.126 0.000 1.155 364 R CA 1.971 57.995 56.100 -0.127 0.000 0.979 364 R CB -1.113 29.123 30.300 -0.107 0.000 0.869 364 R HN 0.539 nan 8.270 nan 0.000 0.452 365 I N 0.335 120.809 120.570 -0.160 0.000 2.094 365 I HA -0.265 3.905 4.170 0.000 0.000 0.234 365 I C 2.199 178.197 176.117 -0.198 0.000 1.063 365 I CA 1.236 62.435 61.300 -0.169 0.000 1.328 365 I CB -0.360 37.511 38.000 -0.216 0.000 1.058 365 I HN 0.023 nan 8.210 nan 0.000 0.400 366 I N 0.731 121.121 120.570 -0.301 0.000 2.479 366 I HA -0.335 3.835 4.170 0.000 0.000 0.258 366 I C 2.292 178.289 176.117 -0.200 0.000 1.165 366 I CA 1.304 62.393 61.300 -0.351 0.000 1.422 366 I CB -0.365 37.295 38.000 -0.567 0.000 1.087 366 I HN 0.308 nan 8.210 nan 0.000 0.441 367 L N 0.242 121.377 121.223 -0.148 0.000 2.084 367 L HA -0.010 4.330 4.340 0.000 0.000 0.202 367 L C 2.647 179.486 176.870 -0.052 0.000 1.074 367 L CA 0.895 55.686 54.840 -0.082 0.000 0.757 367 L CB -0.621 41.394 42.059 -0.075 0.000 0.918 367 L HN 0.167 nan 8.230 nan 0.000 0.444 368 A N -0.361 122.425 122.820 -0.056 0.000 2.285 368 A HA -0.093 4.227 4.320 0.000 0.000 0.214 368 A C 0.739 178.319 177.584 -0.006 0.000 1.188 368 A CA 1.129 53.149 52.037 -0.029 0.000 0.707 368 A CB -0.563 18.418 19.000 -0.032 0.000 0.771 368 A HN 0.352 nan 8.150 nan 0.000 0.488 369 E N 0.000 120.196 120.200 -0.006 0.000 2.725 369 E HA 0.000 4.350 4.350 0.000 0.000 0.291 369 E CA 0.000 56.426 56.400 0.044 0.000 0.976 369 E CB 0.000 29.736 29.700 0.060 0.000 0.812 369 E HN 0.000 nan 8.360 nan 0.000 0.440