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 3fd5_1_B DATA FIRST_RESID 6 DATA SEQUENCE SFNPESYELD KSFRLTRFTE LKGTGCKVPQ DVLQKLLESL XXXXXXXXXX DATA SEQUENCE XXXXVMPRLG IGMDTCVIPL RHGGLSLVQT TDYIYPIVDD PYMMGRIACA DATA SEQUENCE NVLSDLYAMG VTECDNMLML LGVSNKMTDR ERDKVMPLII QGFKDAAEEA DATA SEQUENCE GTSVTGGQTV LNPWIVLGGV ATTVCQPNEF IMPDNAVPGD VLVLTKPLGT DATA SEQUENCE QVAVAVHQWL DIPEKWNKIK LVVTQEDVEL AYQEAMMNMA RLNRTAAGLM DATA SEQUENCE HTFNAHAATD ITGFGILGHA QNLAKQQRNE VSFVIHNLPV LAKMAAVSKA DATA SEQUENCE CGNMFGLMHG TCPETSGGLL ICLPREQAAR FCAEIKSPXX XEGHQAWIIG DATA SEQUENCE IVEKGNRTAR IIDKPRIIEV AP 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.773 174.600 0.289 0.000 1.055 6 S CA 0.000 58.314 58.200 0.189 0.000 1.107 6 S CB 0.000 63.285 63.200 0.142 0.000 0.593 7 F N 2.948 123.007 119.950 0.181 0.000 2.467 7 F HA 0.761 5.288 4.527 -0.001 0.000 0.336 7 F C -0.662 175.272 175.800 0.224 0.000 1.123 7 F CA -0.575 57.560 58.000 0.226 0.000 0.964 7 F CB 1.321 40.432 39.000 0.185 0.000 1.136 7 F HN 0.205 nan 8.300 nan 0.000 0.447 8 N N 7.806 126.242 118.700 -0.440 0.000 2.448 8 N HA 0.372 5.112 4.740 -0.000 0.000 0.279 8 N C -2.342 172.816 175.510 -0.585 0.000 1.025 8 N CA -2.240 50.588 53.050 -0.370 0.000 0.898 8 N CB 2.557 40.971 38.487 -0.121 0.000 1.303 8 N HN 0.245 nan 8.380 nan 0.000 0.495 9 P HA -0.106 nan 4.420 nan 0.000 0.217 9 P C 1.109 178.395 177.300 -0.023 0.000 1.148 9 P CA 1.697 64.682 63.100 -0.191 0.000 0.828 9 P CB 0.373 32.151 31.700 0.131 0.000 0.783 10 E N -0.107 120.074 120.200 -0.032 0.000 2.051 10 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 10 E C 1.912 178.498 176.600 -0.023 0.000 0.991 10 E CA 1.823 58.216 56.400 -0.012 0.000 0.799 10 E CB -1.854 nan 29.700 nan 0.000 0.748 10 E HN 0.262 nan 8.360 nan 0.000 0.449 11 S N -0.596 115.065 115.700 -0.065 0.000 2.641 11 S HA 0.037 4.506 4.470 -0.000 0.000 0.239 11 S C 0.372 174.737 174.600 -0.392 0.000 0.972 11 S CA 0.782 58.848 58.200 -0.223 0.000 0.954 11 S CB -0.418 62.589 63.200 -0.323 0.000 0.767 11 S HN 0.669 nan 8.310 nan 0.000 0.539 12 Y N -0.469 119.778 120.300 -0.088 0.000 2.672 12 Y HA 0.387 4.937 4.550 -0.000 0.000 0.252 12 Y C 1.143 177.018 175.900 -0.041 0.000 1.132 12 Y CA 0.256 58.331 58.100 -0.043 0.000 1.228 12 Y CB -0.086 38.368 38.460 -0.010 0.000 1.310 12 Y HN 0.239 nan 8.280 nan 0.000 0.549 13 E N 0.192 120.433 120.200 0.068 0.000 3.303 13 E HA -0.176 4.174 4.350 -0.000 0.000 0.302 13 E C -0.375 176.244 176.600 0.031 0.000 0.902 13 E CA 1.063 57.484 56.400 0.035 0.000 1.042 13 E CB -2.274 27.442 29.700 0.027 0.000 1.528 13 E HN 0.457 nan 8.360 nan 0.000 0.424 14 L N -0.058 121.185 121.223 0.033 0.000 2.440 14 L HA 0.617 4.956 4.340 -0.000 0.000 0.262 14 L C 0.418 177.320 176.870 0.052 0.000 1.072 14 L CA -1.198 53.649 54.840 0.011 0.000 0.798 14 L CB 0.719 42.730 42.059 -0.081 0.000 1.307 14 L HN 0.213 nan 8.230 nan 0.000 0.475 15 D N 0.482 120.938 120.400 0.093 0.000 2.389 15 D HA 0.103 4.743 4.640 -0.000 0.000 0.247 15 D C 0.940 177.315 176.300 0.125 0.000 1.128 15 D CA 0.107 54.171 54.000 0.106 0.000 0.884 15 D CB 1.136 42.013 40.800 0.129 0.000 1.194 15 D HN 0.551 nan 8.370 nan 0.000 0.441 16 K N 0.819 121.267 120.400 0.080 0.000 2.286 16 K HA -0.152 4.168 4.320 -0.000 0.000 0.203 16 K C 1.704 178.361 176.600 0.095 0.000 1.045 16 K CA 1.802 58.130 56.287 0.068 0.000 0.935 16 K CB -0.838 31.682 32.500 0.033 0.000 0.737 16 K HN 0.531 nan 8.250 nan 0.000 0.460 17 S N -0.727 115.037 115.700 0.107 0.000 2.603 17 S HA 0.197 4.666 4.470 -0.000 0.000 0.220 17 S C 0.547 175.219 174.600 0.119 0.000 0.967 17 S CA -0.488 57.762 58.200 0.084 0.000 0.920 17 S CB -0.681 62.554 63.200 0.059 0.000 0.773 17 S HN 0.499 nan 8.310 nan 0.000 0.529 18 F N 4.154 124.145 119.950 0.067 0.000 2.538 18 F HA 0.407 4.934 4.527 -0.000 0.000 0.371 18 F C 0.370 176.242 175.800 0.121 0.000 1.087 18 F CA -0.429 57.638 58.000 0.111 0.000 1.250 18 F CB 0.467 39.576 39.000 0.181 0.000 1.110 18 F HN -0.089 nan 8.300 nan 0.000 0.570 19 R N 7.048 127.108 120.500 -0.734 0.000 2.534 19 R HA 0.230 4.570 4.340 -0.000 0.000 0.301 19 R C 0.354 176.098 176.300 -0.926 0.000 0.961 19 R CA -0.856 54.888 56.100 -0.593 0.000 0.871 19 R CB 1.481 31.586 30.300 -0.326 0.000 1.170 19 R HN 0.838 nan 8.270 nan 0.000 0.446 20 L N 2.695 123.616 121.223 -0.503 0.000 2.201 20 L HA -0.097 4.242 4.340 -0.000 0.000 0.212 20 L C 1.693 178.559 176.870 -0.007 0.000 1.105 20 L CA 2.059 56.843 54.840 -0.093 0.000 0.775 20 L CB -0.295 41.816 42.059 0.087 0.000 0.913 20 L HN 0.806 nan 8.230 nan 0.000 0.440 21 T N -4.171 110.315 114.554 -0.114 0.000 3.163 21 T HA 0.002 4.352 4.350 -0.000 0.000 0.260 21 T C 2.041 176.610 174.700 -0.219 0.000 1.156 21 T CA 0.847 62.887 62.100 -0.100 0.000 1.072 21 T CB -0.754 68.085 68.868 -0.050 0.000 0.937 21 T HN 0.431 nan 8.240 nan 0.000 0.528 22 R N 0.976 121.227 120.500 -0.416 0.000 2.148 22 R HA 0.284 4.624 4.340 -0.000 0.000 0.223 22 R C 1.314 177.266 176.300 -0.580 0.000 1.088 22 R CA 0.862 56.609 56.100 -0.589 0.000 0.985 22 R CB -1.490 28.278 30.300 -0.887 0.000 0.880 22 R HN 0.674 nan 8.270 nan 0.000 0.451 23 F N 0.634 120.506 119.950 -0.131 0.000 2.949 23 F HA 0.455 4.982 4.527 -0.000 0.000 0.291 23 F C 0.679 176.340 175.800 -0.232 0.000 1.214 23 F CA 0.266 58.228 58.000 -0.064 0.000 1.381 23 F CB 0.245 39.268 39.000 0.040 0.000 1.066 23 F HN 0.180 nan 8.300 nan 0.000 0.520 24 T N -0.698 113.597 114.554 -0.433 0.000 2.722 24 T HA 0.540 4.889 4.350 -0.000 0.000 0.314 24 T C -1.622 172.580 174.700 -0.830 0.000 1.675 24 T CA -0.317 61.070 62.100 -1.188 0.000 1.003 24 T CB 1.091 69.407 68.868 -0.920 0.000 1.602 24 T HN 0.172 nan 8.240 nan 0.000 0.496 25 E N 0.580 120.175 120.200 -1.009 0.000 2.158 25 E HA 0.760 5.110 4.350 -0.000 0.000 0.271 25 E C 0.261 176.669 176.600 -0.320 0.000 0.911 25 E CA -0.183 55.953 56.400 -0.441 0.000 0.767 25 E CB 0.919 30.488 29.700 -0.217 0.000 1.120 25 E HN 1.351 nan 8.360 nan 0.000 0.405 26 L N 1.826 122.960 121.223 -0.149 0.000 2.397 26 L HA 0.823 5.162 4.340 -0.000 0.000 0.271 26 L C 0.430 177.297 176.870 -0.005 0.000 1.148 26 L CA -0.536 54.272 54.840 -0.055 0.000 0.825 26 L CB 0.021 42.087 42.059 0.012 0.000 1.117 26 L HN 0.731 nan 8.230 nan 0.000 0.456 27 K N 2.371 122.775 120.400 0.006 0.000 2.397 27 K HA 0.568 4.888 4.320 -0.000 0.000 0.253 27 K C 1.349 177.926 176.600 -0.038 0.000 0.932 27 K CA -0.079 56.208 56.287 -0.001 0.000 0.795 27 K CB 1.931 34.440 32.500 0.015 0.000 1.159 27 K HN 0.823 nan 8.250 nan 0.000 0.424 28 G N 0.780 109.474 108.800 -0.178 0.000 2.503 28 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.221 28 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.221 28 G C 1.114 175.917 174.900 -0.161 0.000 1.131 28 G CA 1.894 46.713 45.100 -0.469 0.000 0.756 28 G HN 0.690 nan 8.290 nan 0.000 0.572 29 T N -2.108 112.401 114.554 -0.075 0.000 3.086 29 T HA 0.482 4.832 4.350 -0.000 0.000 0.250 29 T C 1.187 175.926 174.700 0.066 0.000 1.074 29 T CA 0.792 62.902 62.100 0.016 0.000 0.988 29 T CB 0.319 69.194 68.868 0.011 0.000 0.988 29 T HN 1.550 nan 8.240 nan 0.000 0.530 30 G N -0.012 108.826 108.800 0.063 0.000 2.728 30 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.294 30 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.294 30 G C 0.431 175.401 174.900 0.118 0.000 1.342 30 G CA -0.511 44.644 45.100 0.092 0.000 0.866 30 G HN 0.402 nan 8.290 nan 0.000 0.534 31 C N 0.516 119.907 119.300 0.151 0.000 2.912 31 C HA 0.318 4.777 4.460 -0.000 0.000 0.274 31 C C 1.353 176.453 174.990 0.184 0.000 1.248 31 C CA 0.028 59.181 59.018 0.225 0.000 1.694 31 C CB -0.940 27.048 27.740 0.413 0.000 2.024 31 C HN 0.545 nan 8.230 nan 0.000 0.605 32 K N 1.664 122.132 120.400 0.114 0.000 2.401 32 K HA 0.246 4.565 4.320 -0.000 0.000 0.278 32 K C -0.156 176.545 176.600 0.169 0.000 1.018 32 K CA -0.034 56.302 56.287 0.082 0.000 0.981 32 K CB 0.746 33.244 32.500 -0.003 0.000 0.933 32 K HN 0.001 nan 8.250 nan 0.000 0.477 33 V N 5.960 125.963 119.914 0.149 0.000 2.509 33 V HA -0.037 4.082 4.120 -0.000 0.000 0.297 33 V C -1.892 174.344 176.094 0.237 0.000 1.014 33 V CA -1.017 61.376 62.300 0.155 0.000 1.127 33 V CB -0.078 31.817 31.823 0.119 0.000 0.925 33 V HN 0.687 nan 8.190 nan 0.000 0.480 34 P HA -0.012 nan 4.420 nan 0.000 0.267 34 P C 0.741 177.957 177.300 -0.140 0.000 1.201 34 P CA 0.172 63.286 63.100 0.022 0.000 0.775 34 P CB 0.507 32.186 31.700 -0.035 0.000 0.854 35 Q N 1.635 121.036 119.800 -0.665 0.000 2.077 35 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 35 Q C 1.417 177.254 176.000 -0.270 0.000 0.989 35 Q CA 2.195 57.550 55.803 -0.748 0.000 0.853 35 Q CB -0.189 27.877 28.738 -1.120 0.000 0.907 35 Q HN 0.548 nan 8.270 nan 0.000 0.418 36 D N -0.814 119.450 120.400 -0.228 0.000 2.149 36 D HA -0.128 4.511 4.640 -0.000 0.000 0.201 36 D C 1.915 178.174 176.300 -0.068 0.000 0.972 36 D CA 0.965 54.889 54.000 -0.126 0.000 0.835 36 D CB -0.569 40.163 40.800 -0.114 0.000 0.966 36 D HN 0.204 nan 8.370 nan 0.000 0.476 37 V N 0.854 120.735 119.914 -0.055 0.000 2.343 37 V HA -0.213 3.906 4.120 -0.000 0.000 0.247 37 V C 2.651 178.749 176.094 0.007 0.000 1.051 37 V CA 1.197 63.488 62.300 -0.015 0.000 1.036 37 V CB -0.606 31.218 31.823 0.002 0.000 0.654 37 V HN 0.109 nan 8.190 nan 0.000 0.451 38 L N 0.001 121.237 121.223 0.022 0.000 1.994 38 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 38 L C 2.556 179.448 176.870 0.037 0.000 1.071 38 L CA 2.018 56.894 54.840 0.059 0.000 0.745 38 L CB -0.634 41.505 42.059 0.133 0.000 0.892 38 L HN 0.348 nan 8.230 nan 0.000 0.431 39 Q N -1.241 118.568 119.800 0.015 0.000 2.234 39 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 39 Q C 2.314 178.317 176.000 0.005 0.000 0.980 39 Q CA 1.764 57.573 55.803 0.010 0.000 0.869 39 Q CB -0.138 28.593 28.738 -0.011 0.000 0.912 39 Q HN 0.289 nan 8.270 nan 0.000 0.436 40 K N 0.374 120.774 120.400 -0.000 0.000 2.076 40 K HA 0.048 4.368 4.320 -0.000 0.000 0.204 40 K C 1.953 178.557 176.600 0.007 0.000 1.051 40 K CA 0.534 56.821 56.287 -0.000 0.000 0.949 40 K CB -0.365 32.132 32.500 -0.006 0.000 0.726 40 K HN 0.282 nan 8.250 nan 0.000 0.443 41 L N 0.429 121.661 121.223 0.014 0.000 2.191 41 L HA 0.021 4.360 4.340 -0.000 0.000 0.212 41 L C 1.748 178.630 176.870 0.020 0.000 1.103 41 L CA 1.091 55.943 54.840 0.019 0.000 0.769 41 L CB -0.265 41.810 42.059 0.027 0.000 0.908 41 L HN 0.188 nan 8.230 nan 0.000 0.438 42 L N -0.197 121.040 121.223 0.022 0.000 2.653 42 L HA 0.023 4.362 4.340 -0.000 0.000 0.232 42 L C 2.165 179.044 176.870 0.016 0.000 1.169 42 L CA -0.128 54.725 54.840 0.022 0.000 0.951 42 L CB -0.398 41.679 42.059 0.030 0.000 1.181 42 L HN 0.325 nan 8.230 nan 0.000 0.460 43 E N 0.589 120.796 120.200 0.011 0.000 2.110 43 E HA -0.230 4.119 4.350 -0.000 0.000 0.193 43 E C 2.046 178.650 176.600 0.007 0.000 0.988 43 E CA 1.670 58.075 56.400 0.007 0.000 0.804 43 E CB -0.207 29.495 29.700 0.004 0.000 0.745 43 E HN 0.493 nan 8.360 nan 0.000 0.458 44 S N 0.606 116.310 115.700 0.007 0.000 2.419 44 S HA -0.075 4.395 4.470 -0.000 0.000 0.233 44 S C 1.147 175.751 174.600 0.007 0.000 1.016 44 S CA 0.165 58.369 58.200 0.006 0.000 0.974 44 S CB -0.420 62.784 63.200 0.006 0.000 0.786 44 S HN 0.057 nan 8.310 nan 0.000 0.492 61 M N 2.936 122.565 119.600 0.048 0.000 2.113 61 M HA 0.498 4.977 4.480 -0.000 0.000 0.352 61 M C -2.493 173.856 176.300 0.081 0.000 1.170 61 M CA -1.341 54.004 55.300 0.075 0.000 1.053 61 M CB 1.392 34.037 32.600 0.076 0.000 1.601 61 M HN 0.061 nan 8.290 nan 0.000 0.459 62 P HA 0.255 nan 4.420 nan 0.000 0.267 62 P C -0.612 176.734 177.300 0.077 0.000 1.205 62 P CA 0.062 63.229 63.100 0.112 0.000 0.765 62 P CB 0.396 32.205 31.700 0.181 0.000 0.828 63 R N 1.773 122.294 120.500 0.036 0.000 2.803 63 R HA 0.791 5.131 4.340 -0.000 0.000 0.276 63 R C -1.576 174.720 176.300 -0.008 0.000 0.978 63 R CA -0.701 55.397 56.100 -0.004 0.000 0.939 63 R CB 1.048 31.345 30.300 -0.004 0.000 1.179 63 R HN 0.493 nan 8.270 nan 0.000 0.472 64 L N 1.113 122.315 121.223 -0.034 0.000 2.439 64 L HA 0.787 5.127 4.340 -0.000 0.000 0.270 64 L C 0.489 177.344 176.870 -0.024 0.000 0.972 64 L CA -0.501 54.326 54.840 -0.022 0.000 0.836 64 L CB 1.953 43.993 42.059 -0.032 0.000 1.255 64 L HN 1.021 nan 8.230 nan 0.000 0.404 65 G N 4.072 112.867 108.800 -0.008 0.000 2.857 65 G HA2 0.477 4.436 3.960 -0.000 0.000 0.217 65 G HA3 0.477 4.436 3.960 -0.000 0.000 0.217 65 G C -0.148 174.754 174.900 0.003 0.000 1.357 65 G CA -0.983 44.114 45.100 -0.005 0.000 1.033 65 G HN 0.558 nan 8.290 nan 0.000 0.571 66 I N 0.882 121.457 120.570 0.008 0.000 2.845 66 I HA 0.206 4.376 4.170 -0.000 0.000 0.296 66 I C 1.493 177.626 176.117 0.026 0.000 1.216 66 I CA 2.116 63.427 61.300 0.018 0.000 1.438 66 I CB 0.611 38.623 38.000 0.021 0.000 1.342 66 I HN 0.867 nan 8.210 nan 0.000 0.577 67 G N 4.815 113.638 108.800 0.038 0.000 2.901 67 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.194 67 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.194 67 G C 0.166 175.105 174.900 0.064 0.000 1.020 67 G CA -0.520 44.611 45.100 0.051 0.000 0.787 67 G HN 0.364 nan 8.290 nan 0.000 0.477 68 M N 0.417 120.047 119.600 0.051 0.000 2.407 68 M HA 0.491 4.971 4.480 -0.000 0.000 0.235 68 M C 0.769 177.093 176.300 0.039 0.000 0.846 68 M CA -0.207 55.127 55.300 0.056 0.000 1.540 68 M CB -0.292 32.338 32.600 0.049 0.000 1.274 68 M HN -0.059 nan 8.290 nan 0.000 0.802 69 D N -0.171 120.243 120.400 0.024 0.000 2.327 69 D HA 0.080 4.720 4.640 -0.000 0.000 0.205 69 D C -0.031 176.255 176.300 -0.023 0.000 0.989 69 D CA 0.922 54.920 54.000 -0.004 0.000 0.873 69 D CB 0.807 41.602 40.800 -0.008 0.000 0.955 69 D HN 0.364 nan 8.370 nan 0.000 0.515 70 T N 0.152 114.694 114.554 -0.020 0.000 2.916 70 T HA 0.286 4.636 4.350 -0.000 0.000 0.305 70 T C -0.278 174.394 174.700 -0.045 0.000 1.119 70 T CA -0.764 61.311 62.100 -0.041 0.000 1.008 70 T CB 1.786 70.623 68.868 -0.052 0.000 1.129 70 T HN 0.167 nan 8.240 nan 0.000 0.480 71 C N 2.031 121.298 119.300 -0.054 0.000 2.595 71 C HA 0.886 5.346 4.460 -0.000 0.000 0.384 71 C C 0.014 174.934 174.990 -0.116 0.000 1.289 71 C CA -0.668 58.312 59.018 -0.063 0.000 2.372 71 C CB -0.622 27.090 27.740 -0.048 0.000 2.593 71 C HN 0.597 nan 8.230 nan 0.000 0.639 72 V N 3.796 123.627 119.914 -0.138 0.000 2.409 72 V HA 0.423 4.542 4.120 -0.000 0.000 0.290 72 V C -0.408 175.599 176.094 -0.145 0.000 1.017 72 V CA -0.218 61.943 62.300 -0.232 0.000 0.841 72 V CB 1.133 32.737 31.823 -0.366 0.000 1.003 72 V HN 0.761 nan 8.190 nan 0.000 0.426 73 I N 6.025 126.520 120.570 -0.124 0.000 2.464 73 I HA 0.391 4.560 4.170 -0.000 0.000 0.277 73 I C -2.594 173.492 176.117 -0.051 0.000 1.040 73 I CA -2.598 58.661 61.300 -0.068 0.000 1.153 73 I CB 1.439 39.410 38.000 -0.048 0.000 1.274 73 I HN 0.332 nan 8.210 nan 0.000 0.469 74 P HA 0.112 nan 4.420 nan 0.000 0.262 74 P C -0.225 177.066 177.300 -0.014 0.000 1.182 74 P CA 0.359 63.458 63.100 -0.002 0.000 0.761 74 P CB 0.625 32.332 31.700 0.011 0.000 0.795 75 L N 2.168 123.389 121.223 -0.004 0.000 2.387 75 L HA 0.552 4.891 4.340 -0.000 0.000 0.266 75 L C 2.101 178.913 176.870 -0.096 0.000 1.059 75 L CA -0.744 54.073 54.840 -0.038 0.000 0.801 75 L CB 0.652 42.725 42.059 0.022 0.000 1.223 75 L HN 0.211 nan 8.230 nan 0.000 0.456 76 R N 0.016 120.366 120.500 -0.250 0.000 2.235 76 R HA -0.030 4.310 4.340 -0.000 0.000 0.213 76 R C 0.571 176.697 176.300 -0.290 0.000 1.059 76 R CA 0.888 56.807 56.100 -0.301 0.000 0.997 76 R CB -1.208 28.854 30.300 -0.397 0.000 0.884 76 R HN 0.562 nan 8.270 nan 0.000 0.462 77 H N -0.488 118.593 119.070 0.018 0.000 2.552 77 H HA 0.401 4.957 4.556 -0.000 0.000 0.311 77 H C 1.022 176.365 175.328 0.026 0.000 1.071 77 H CA -0.750 55.310 56.048 0.020 0.000 1.307 77 H CB 1.178 30.950 29.762 0.018 0.000 1.416 77 H HN 0.425 nan 8.280 nan 0.000 0.464 78 G N 2.693 111.572 108.800 0.131 0.000 2.441 78 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.298 78 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.298 78 G C 1.245 176.192 174.900 0.078 0.000 0.949 78 G CA 1.051 46.205 45.100 0.090 0.000 1.072 78 G HN 1.297 nan 8.290 nan 0.000 0.512 79 G N -1.953 106.889 108.800 0.070 0.000 2.187 79 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.261 79 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.261 79 G C 0.476 175.436 174.900 0.100 0.000 1.000 79 G CA 0.718 45.862 45.100 0.073 0.000 0.718 79 G HN 1.281 nan 8.290 nan 0.000 0.519 80 L N 0.470 121.755 121.223 0.104 0.000 2.399 80 L HA 0.637 4.976 4.340 -0.000 0.000 0.266 80 L C 0.475 177.407 176.870 0.104 0.000 1.114 80 L CA -0.499 54.413 54.840 0.120 0.000 0.804 80 L CB 1.688 43.815 42.059 0.113 0.000 1.146 80 L HN 0.128 nan 8.230 nan 0.000 0.451 81 S N 2.227 117.991 115.700 0.107 0.000 2.521 81 S HA 0.485 4.955 4.470 -0.000 0.000 0.295 81 S C -0.764 173.816 174.600 -0.033 0.000 1.098 81 S CA -0.606 57.602 58.200 0.014 0.000 0.999 81 S CB 1.986 65.150 63.200 -0.060 0.000 1.034 81 S HN 0.374 nan 8.310 nan 0.000 0.483 82 L N 3.920 125.113 121.223 -0.049 0.000 2.313 82 L HA 0.478 4.817 4.340 -0.000 0.000 0.282 82 L C -1.053 175.752 176.870 -0.108 0.000 1.092 82 L CA 0.162 54.972 54.840 -0.050 0.000 0.831 82 L CB 0.373 42.414 42.059 -0.028 0.000 1.159 82 L HN 0.470 nan 8.230 nan 0.000 0.442 83 V N 6.604 126.457 119.914 -0.102 0.000 2.378 83 V HA 0.539 4.659 4.120 -0.000 0.000 0.288 83 V C -0.205 175.846 176.094 -0.071 0.000 1.016 83 V CA -0.394 61.830 62.300 -0.127 0.000 0.840 83 V CB 1.157 32.897 31.823 -0.137 0.000 0.994 83 V HN 0.925 nan 8.190 nan 0.000 0.431 84 Q N 2.958 122.717 119.800 -0.067 0.000 2.590 84 Q HA 0.837 5.177 4.340 -0.000 0.000 0.295 84 Q C -1.177 174.795 176.000 -0.046 0.000 0.973 84 Q CA -0.867 54.907 55.803 -0.049 0.000 0.768 84 Q CB 2.703 31.422 28.738 -0.032 0.000 1.479 84 Q HN 0.509 nan 8.270 nan 0.000 0.419 85 T N -0.314 114.216 114.554 -0.040 0.000 2.942 85 T HA 0.524 4.873 4.350 -0.000 0.000 0.327 85 T C -1.699 172.987 174.700 -0.023 0.000 1.360 85 T CA -0.067 62.009 62.100 -0.040 0.000 1.055 85 T CB 2.332 71.162 68.868 -0.063 0.000 1.261 85 T HN 0.726 nan 8.240 nan 0.000 0.485 86 T N 2.256 116.803 114.554 -0.012 0.000 2.906 86 T HA 0.748 5.098 4.350 -0.000 0.000 0.295 86 T C -2.022 172.680 174.700 0.005 0.000 1.075 86 T CA -0.395 61.712 62.100 0.013 0.000 1.005 86 T CB 1.642 70.532 68.868 0.036 0.000 1.136 86 T HN 0.702 nan 8.240 nan 0.000 0.498 87 D N 0.590 121.011 120.400 0.034 0.000 2.648 87 D HA 0.407 5.047 4.640 -0.000 0.000 0.244 87 D C -1.766 174.594 176.300 0.100 0.000 1.244 87 D CA -0.099 53.897 54.000 -0.007 0.000 0.772 87 D CB 1.893 42.655 40.800 -0.063 0.000 1.379 87 D HN 0.625 nan 8.370 nan 0.000 0.428 88 Y N -0.315 119.932 120.300 -0.087 0.000 2.552 88 Y HA 0.724 5.273 4.550 -0.000 0.000 0.337 88 Y C -1.161 174.603 175.900 -0.227 0.000 1.094 88 Y CA -0.988 57.039 58.100 -0.122 0.000 1.028 88 Y CB 1.026 39.418 38.460 -0.114 0.000 1.321 88 Y HN 0.427 nan 8.280 nan 0.000 0.456 89 I N -0.741 119.753 120.570 -0.126 0.000 3.457 89 I HA 0.758 4.927 4.170 -0.000 0.000 0.307 89 I C -1.681 174.245 176.117 -0.318 0.000 1.138 89 I CA -1.589 59.531 61.300 -0.299 0.000 0.974 89 I CB 2.348 40.271 38.000 -0.128 0.000 1.324 89 I HN 0.641 nan 8.210 nan 0.000 0.485 90 Y N -0.644 119.734 120.300 0.129 0.000 2.621 90 Y HA 0.638 5.188 4.550 -0.000 0.000 0.334 90 Y C -2.513 173.416 175.900 0.049 0.000 1.074 90 Y CA -2.789 55.381 58.100 0.117 0.000 1.149 90 Y CB 0.294 38.807 38.460 0.087 0.000 1.302 90 Y HN 0.274 nan 8.280 nan 0.000 0.501 91 P HA 0.086 nan 4.420 nan 0.000 0.268 91 P C -0.176 177.167 177.300 0.072 0.000 1.204 91 P CA 0.608 63.777 63.100 0.114 0.000 0.768 91 P CB 0.702 32.472 31.700 0.117 0.000 0.842 92 I N 2.863 123.467 120.570 0.057 0.000 4.730 92 I HA 0.046 4.216 4.170 -0.000 0.000 0.332 92 I C -0.001 176.166 176.117 0.083 0.000 1.299 92 I CA 0.356 61.687 61.300 0.052 0.000 1.294 92 I CB 0.959 38.979 38.000 0.033 0.000 1.317 92 I HN 0.145 nan 8.210 nan 0.000 0.457 93 V N -3.050 116.912 119.914 0.080 0.000 3.074 93 V HA 0.600 4.720 4.120 -0.000 0.000 0.314 93 V C 0.084 176.261 176.094 0.138 0.000 1.117 93 V CA -0.585 61.813 62.300 0.162 0.000 1.014 93 V CB 1.724 33.555 31.823 0.013 0.000 1.057 93 V HN -0.058 nan 8.190 nan 0.000 0.438 94 D N -0.072 120.463 120.400 0.224 0.000 2.354 94 D HA 0.071 4.711 4.640 -0.000 0.000 0.209 94 D C 0.220 176.526 176.300 0.009 0.000 1.015 94 D CA 0.692 54.777 54.000 0.142 0.000 0.867 94 D CB 0.307 41.236 40.800 0.215 0.000 0.933 94 D HN 0.771 nan 8.370 nan 0.000 0.520 95 D N 1.168 121.586 120.400 0.030 0.000 2.352 95 D HA 0.049 4.689 4.640 -0.000 0.000 0.245 95 D C -1.682 174.490 176.300 -0.213 0.000 1.224 95 D CA -1.874 52.045 54.000 -0.136 0.000 0.879 95 D CB 2.158 43.009 40.800 0.085 0.000 1.057 95 D HN -0.093 nan 8.370 nan 0.000 0.491 96 P HA -0.151 nan 4.420 nan 0.000 0.215 96 P C 1.281 178.531 177.300 -0.082 0.000 1.157 96 P CA 0.886 63.848 63.100 -0.231 0.000 0.863 96 P CB -0.038 31.469 31.700 -0.323 0.000 0.787 97 Y N -0.337 119.889 120.300 -0.123 0.000 2.128 97 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 97 Y C 2.174 178.061 175.900 -0.023 0.000 1.154 97 Y CA 1.824 59.907 58.100 -0.028 0.000 1.149 97 Y CB -0.714 37.760 38.460 0.023 0.000 0.976 97 Y HN -0.205 nan 8.280 nan 0.000 0.505 98 M N -0.759 118.884 119.600 0.070 0.000 2.132 98 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 98 M C 2.296 178.523 176.300 -0.122 0.000 1.065 98 M CA 1.549 56.832 55.300 -0.028 0.000 1.122 98 M CB -1.113 31.503 32.600 0.027 0.000 1.365 98 M HN 0.505 nan 8.290 nan 0.000 0.411 99 M N 0.652 120.199 119.600 -0.089 0.000 2.106 99 M HA -0.095 4.384 4.480 -0.000 0.000 0.259 99 M C 2.012 178.267 176.300 -0.076 0.000 1.068 99 M CA 1.978 57.236 55.300 -0.069 0.000 1.100 99 M CB -1.256 31.325 32.600 -0.031 0.000 1.351 99 M HN 0.286 nan 8.290 nan 0.000 0.404 100 G N -0.632 108.102 108.800 -0.110 0.000 2.418 100 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 100 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 100 G C 1.797 176.587 174.900 -0.184 0.000 1.158 100 G CA 0.816 45.873 45.100 -0.072 0.000 0.771 100 G HN 0.457 nan 8.290 nan 0.000 0.545 101 R N -0.212 120.095 120.500 -0.322 0.000 2.083 101 R HA -0.025 4.315 4.340 -0.000 0.000 0.237 101 R C 2.654 178.801 176.300 -0.255 0.000 1.137 101 R CA 1.347 57.258 56.100 -0.314 0.000 0.951 101 R CB -0.396 29.738 30.300 -0.278 0.000 0.851 101 R HN 0.424 nan 8.270 nan 0.000 0.434 102 I N 0.206 120.666 120.570 -0.183 0.000 2.179 102 I HA -0.265 3.904 4.170 -0.000 0.000 0.242 102 I C 2.616 178.646 176.117 -0.144 0.000 1.088 102 I CA 1.262 62.476 61.300 -0.143 0.000 1.357 102 I CB -0.504 37.433 38.000 -0.104 0.000 1.051 102 I HN 0.195 nan 8.210 nan 0.000 0.409 103 A N -0.156 122.601 122.820 -0.104 0.000 1.917 103 A HA -0.316 4.003 4.320 -0.000 0.000 0.219 103 A C 2.540 180.015 177.584 -0.181 0.000 1.182 103 A CA 2.171 54.191 52.037 -0.028 0.000 0.633 103 A CB -1.360 17.736 19.000 0.161 0.000 0.819 103 A HN 0.641 nan 8.150 nan 0.000 0.448 104 C N -1.052 117.866 119.300 -0.638 0.000 2.466 104 C HA 0.232 4.692 4.460 -0.000 0.000 0.278 104 C C 3.149 177.840 174.990 -0.499 0.000 1.288 104 C CA 1.044 59.374 59.018 -1.148 0.000 1.722 104 C CB -1.263 25.485 27.740 -1.654 0.000 2.017 104 C HN 0.671 nan 8.230 nan 0.000 0.488 105 A N 0.456 123.082 122.820 -0.324 0.000 1.930 105 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 105 A C 1.958 179.465 177.584 -0.128 0.000 1.175 105 A CA 2.052 53.989 52.037 -0.167 0.000 0.627 105 A CB -0.934 17.993 19.000 -0.121 0.000 0.815 105 A HN 0.725 nan 8.150 nan 0.000 0.443 106 N N 0.178 118.796 118.700 -0.136 0.000 2.120 106 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 106 N C 1.474 176.915 175.510 -0.115 0.000 1.024 106 N CA 1.896 54.881 53.050 -0.109 0.000 0.852 106 N CB -0.359 38.072 38.487 -0.094 0.000 1.003 106 N HN 0.152 nan 8.380 nan 0.000 0.424 107 V N 0.895 120.740 119.914 -0.115 0.000 2.255 107 V HA -0.226 3.893 4.120 -0.000 0.000 0.247 107 V C 2.332 178.331 176.094 -0.159 0.000 1.051 107 V CA 1.581 63.826 62.300 -0.092 0.000 1.018 107 V CB -0.665 31.147 31.823 -0.017 0.000 0.641 107 V HN 0.360 nan 8.190 nan 0.000 0.445 108 L N -0.110 120.981 121.223 -0.221 0.000 2.201 108 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 108 L C 2.684 179.214 176.870 -0.567 0.000 1.105 108 L CA 1.351 55.945 54.840 -0.411 0.000 0.775 108 L CB -0.627 41.219 42.059 -0.355 0.000 0.913 108 L HN 0.381 nan 8.230 nan 0.000 0.440 109 S N -0.086 115.475 115.700 -0.230 0.000 2.400 109 S HA -0.265 4.205 4.470 -0.000 0.000 0.234 109 S C 1.636 176.173 174.600 -0.106 0.000 1.049 109 S CA 1.925 60.084 58.200 -0.069 0.000 1.039 109 S CB -0.194 62.975 63.200 -0.051 0.000 0.856 109 S HN 0.461 nan 8.310 nan 0.000 0.465 110 D N 0.448 120.748 120.400 -0.167 0.000 2.213 110 D HA 0.052 4.692 4.640 -0.000 0.000 0.205 110 D C 2.023 178.257 176.300 -0.111 0.000 0.961 110 D CA 0.518 54.449 54.000 -0.114 0.000 0.853 110 D CB -0.195 40.543 40.800 -0.103 0.000 0.967 110 D HN 0.386 nan 8.370 nan 0.000 0.496 111 L N 0.411 121.502 121.223 -0.220 0.000 1.989 111 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 111 L C 2.480 179.342 176.870 -0.014 0.000 1.071 111 L CA 1.233 55.969 54.840 -0.174 0.000 0.749 111 L CB -0.618 41.244 42.059 -0.329 0.000 0.890 111 L HN 0.092 nan 8.230 nan 0.000 0.431 112 Y N -0.186 120.134 120.300 0.033 0.000 2.333 112 Y HA -0.141 4.408 4.550 -0.000 0.000 0.290 112 Y C 2.553 178.485 175.900 0.052 0.000 1.144 112 Y CA 0.432 58.562 58.100 0.050 0.000 1.228 112 Y CB -1.241 37.239 38.460 0.033 0.000 0.985 112 Y HN 0.140 nan 8.280 nan 0.000 0.542 113 A N -0.745 122.166 122.820 0.151 0.000 2.121 113 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 113 A C 1.913 179.555 177.584 0.097 0.000 1.154 113 A CA 1.150 53.245 52.037 0.096 0.000 0.679 113 A CB -0.426 18.599 19.000 0.041 0.000 0.795 113 A HN 0.255 nan 8.150 nan 0.000 0.458 114 M N -1.352 118.318 119.600 0.117 0.000 2.419 114 M HA 0.190 4.670 4.480 -0.000 0.000 0.252 114 M C 1.312 177.723 176.300 0.185 0.000 1.143 114 M CA 0.708 56.090 55.300 0.136 0.000 0.985 114 M CB -0.398 32.272 32.600 0.117 0.000 1.489 114 M HN 0.671 nan 8.290 nan 0.000 0.484 115 G N 1.108 110.024 108.800 0.193 0.000 2.155 115 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.257 115 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.257 115 G C 0.106 175.244 174.900 0.398 0.000 0.983 115 G CA 0.118 45.364 45.100 0.243 0.000 0.676 115 G HN 0.358 nan 8.290 nan 0.000 0.528 116 V N 1.890 122.005 119.914 0.334 0.000 2.368 116 V HA 0.425 4.544 4.120 -0.000 0.000 0.266 116 V C 1.679 177.975 176.094 0.336 0.000 1.045 116 V CA 0.665 63.146 62.300 0.302 0.000 0.899 116 V CB 0.926 32.880 31.823 0.219 0.000 1.006 116 V HN 0.605 nan 8.190 nan 0.000 0.470 117 T N 0.965 115.669 114.554 0.250 0.000 3.054 117 T HA 0.149 4.498 4.350 -0.000 0.000 0.259 117 T C 0.542 175.380 174.700 0.230 0.000 1.092 117 T CA 0.034 62.268 62.100 0.222 0.000 1.121 117 T CB 0.265 69.177 68.868 0.072 0.000 0.912 117 T HN 0.514 nan 8.240 nan 0.000 0.489 118 E N 0.603 120.902 120.200 0.166 0.000 2.242 118 E HA 0.476 4.826 4.350 -0.000 0.000 0.275 118 E C -1.096 175.568 176.600 0.106 0.000 1.002 118 E CA -0.914 55.559 56.400 0.121 0.000 0.841 118 E CB 1.689 31.436 29.700 0.078 0.000 1.109 118 E HN 0.250 nan 8.360 nan 0.000 0.394 119 C N 3.136 122.484 119.300 0.081 0.000 2.322 119 C HA 0.300 4.759 4.460 -0.000 0.000 0.324 119 C C 0.898 175.912 174.990 0.040 0.000 1.249 119 C CA -0.575 58.468 59.018 0.042 0.000 1.453 119 C CB -0.224 27.528 27.740 0.021 0.000 2.145 119 C HN 0.595 nan 8.230 nan 0.000 0.466 120 D N 2.575 122.995 120.400 0.033 0.000 2.234 120 D HA 0.060 4.700 4.640 -0.000 0.000 0.205 120 D C 0.252 176.568 176.300 0.027 0.000 0.962 120 D CA 1.439 55.457 54.000 0.030 0.000 0.855 120 D CB 0.170 40.987 40.800 0.028 0.000 0.951 120 D HN 0.741 nan 8.370 nan 0.000 0.500 121 N N -1.124 117.591 118.700 0.025 0.000 2.636 121 N HA 0.210 4.950 4.740 -0.000 0.000 0.261 121 N C -1.743 173.787 175.510 0.032 0.000 1.195 121 N CA -0.372 52.694 53.050 0.027 0.000 0.902 121 N CB 1.512 40.011 38.487 0.020 0.000 1.627 121 N HN -0.287 nan 8.380 nan 0.000 0.491 122 M N 2.298 121.928 119.600 0.050 0.000 2.598 122 M HA 0.562 5.042 4.480 -0.000 0.000 0.317 122 M C -0.996 175.335 176.300 0.051 0.000 1.179 122 M CA -0.813 54.533 55.300 0.077 0.000 0.936 122 M CB 1.813 34.508 32.600 0.158 0.000 1.713 122 M HN 0.346 nan 8.290 nan 0.000 0.460 123 L N 1.635 122.882 121.223 0.040 0.000 2.341 123 L HA 0.673 5.013 4.340 -0.000 0.000 0.267 123 L C -0.805 176.020 176.870 -0.075 0.000 1.009 123 L CA -0.589 54.239 54.840 -0.021 0.000 0.819 123 L CB 2.338 44.383 42.059 -0.022 0.000 1.323 123 L HN 0.678 nan 8.230 nan 0.000 0.425 124 M N 2.924 122.402 119.600 -0.203 0.000 2.227 124 M HA 0.497 4.977 4.480 -0.000 0.000 0.335 124 M C -1.543 174.613 176.300 -0.240 0.000 1.053 124 M CA -0.664 54.399 55.300 -0.396 0.000 0.973 124 M CB 1.533 33.712 32.600 -0.702 0.000 1.623 124 M HN 0.468 nan 8.290 nan 0.000 0.434 125 L N 5.685 126.799 121.223 -0.182 0.000 2.265 125 L HA 0.479 4.818 4.340 -0.000 0.000 0.289 125 L C -1.109 175.683 176.870 -0.129 0.000 1.033 125 L CA -0.643 54.119 54.840 -0.130 0.000 0.814 125 L CB 1.213 43.218 42.059 -0.090 0.000 1.203 125 L HN 0.546 nan 8.230 nan 0.000 0.423 126 L N 2.841 123.991 121.223 -0.122 0.000 2.365 126 L HA 0.804 5.143 4.340 -0.000 0.000 0.273 126 L C 0.012 176.847 176.870 -0.059 0.000 1.000 126 L CA -0.071 54.715 54.840 -0.089 0.000 0.819 126 L CB 2.099 44.094 42.059 -0.107 0.000 1.284 126 L HN 0.488 nan 8.230 nan 0.000 0.418 127 G N 3.501 112.294 108.800 -0.012 0.000 2.470 127 G HA2 0.592 4.552 3.960 -0.000 0.000 0.320 127 G HA3 0.592 4.552 3.960 -0.000 0.000 0.320 127 G C -1.515 173.398 174.900 0.021 0.000 1.245 127 G CA -0.427 44.681 45.100 0.013 0.000 0.935 127 G HN 0.400 nan 8.290 nan 0.000 0.476 128 V N 1.469 121.381 119.914 -0.003 0.000 2.439 128 V HA 0.424 4.543 4.120 -0.000 0.000 0.282 128 V C 0.870 176.959 176.094 -0.008 0.000 1.039 128 V CA -0.629 61.656 62.300 -0.024 0.000 0.913 128 V CB 1.649 33.447 31.823 -0.041 0.000 0.983 128 V HN 0.773 nan 8.190 nan 0.000 0.460 129 S N 3.581 119.256 115.700 -0.043 0.000 2.516 129 S HA 0.028 4.498 4.470 -0.000 0.000 0.282 129 S C 1.383 175.996 174.600 0.023 0.000 1.286 129 S CA -0.410 57.804 58.200 0.023 0.000 1.066 129 S CB 0.063 63.264 63.200 0.001 0.000 0.884 129 S HN 0.936 nan 8.310 nan 0.000 0.491 130 N N 4.903 123.641 118.700 0.063 0.000 2.609 130 N HA -0.065 4.675 4.740 -0.000 0.000 0.190 130 N C 0.711 176.276 175.510 0.092 0.000 1.157 130 N CA 0.826 53.909 53.050 0.055 0.000 0.918 130 N CB -0.139 38.372 38.487 0.039 0.000 0.978 130 N HN 0.628 nan 8.380 nan 0.000 0.448 131 K N -0.310 120.186 120.400 0.160 0.000 2.361 131 K HA 0.186 4.506 4.320 -0.000 0.000 0.194 131 K C 0.706 177.474 176.600 0.281 0.000 1.032 131 K CA -0.027 56.401 56.287 0.235 0.000 1.048 131 K CB 0.167 32.869 32.500 0.337 0.000 0.842 131 K HN 0.414 nan 8.250 nan 0.000 0.526 132 M N 0.963 120.647 119.600 0.139 0.000 2.277 132 M HA 0.237 4.717 4.480 -0.000 0.000 0.350 132 M C 0.185 176.521 176.300 0.061 0.000 1.180 132 M CA -0.608 54.735 55.300 0.073 0.000 1.103 132 M CB 1.114 33.490 32.600 -0.373 0.000 1.577 132 M HN -0.099 nan 8.290 nan 0.000 0.459 133 T N -0.729 113.885 114.554 0.100 0.000 2.802 133 T HA 0.091 4.440 4.350 -0.000 0.000 0.305 133 T C 0.534 175.245 174.700 0.018 0.000 1.053 133 T CA -0.054 62.083 62.100 0.062 0.000 1.058 133 T CB 0.550 69.463 68.868 0.075 0.000 0.988 133 T HN 0.744 nan 8.240 nan 0.000 0.539 134 D N 0.164 120.572 120.400 0.013 0.000 2.123 134 D HA -0.096 4.543 4.640 -0.000 0.000 0.196 134 D C 2.148 178.443 176.300 -0.008 0.000 0.992 134 D CA 1.234 55.233 54.000 -0.001 0.000 0.833 134 D CB -0.291 40.512 40.800 0.004 0.000 0.954 134 D HN 0.685 nan 8.370 nan 0.000 0.455 135 R N 0.768 121.267 120.500 -0.001 0.000 2.083 135 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 135 R C 1.974 178.252 176.300 -0.037 0.000 1.137 135 R CA 1.461 57.556 56.100 -0.008 0.000 0.951 135 R CB 0.038 30.340 30.300 0.003 0.000 0.851 135 R HN 0.230 nan 8.270 nan 0.000 0.434 136 E N -0.148 120.019 120.200 -0.055 0.000 2.031 136 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 136 E C 2.165 178.695 176.600 -0.117 0.000 0.994 136 E CA 1.273 57.592 56.400 -0.135 0.000 0.800 136 E CB -0.242 29.408 29.700 -0.083 0.000 0.752 136 E HN 0.287 nan 8.360 nan 0.000 0.447 137 R N 1.022 121.473 120.500 -0.082 0.000 2.096 137 R HA -0.203 4.136 4.340 -0.000 0.000 0.240 137 R C 1.354 177.624 176.300 -0.051 0.000 1.139 137 R CA 2.063 58.117 56.100 -0.076 0.000 0.952 137 R CB -0.136 30.126 30.300 -0.062 0.000 0.854 137 R HN 0.110 nan 8.270 nan 0.000 0.436 138 D N -0.119 120.261 120.400 -0.033 0.000 2.269 138 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 138 D C 1.914 178.213 176.300 -0.002 0.000 0.963 138 D CA 1.629 55.621 54.000 -0.013 0.000 0.864 138 D CB 0.112 40.910 40.800 -0.004 0.000 0.936 138 D HN 0.456 nan 8.370 nan 0.000 0.505 139 K N 0.400 120.789 120.400 -0.019 0.000 2.141 139 K HA 0.122 4.442 4.320 -0.000 0.000 0.202 139 K C 2.173 178.757 176.600 -0.028 0.000 1.045 139 K CA 0.498 56.787 56.287 0.004 0.000 0.971 139 K CB -0.767 31.730 32.500 -0.005 0.000 0.795 139 K HN 0.042 nan 8.250 nan 0.000 0.459 140 V N 1.178 121.039 119.914 -0.089 0.000 2.446 140 V HA -0.154 3.966 4.120 -0.000 0.000 0.244 140 V C 2.655 178.719 176.094 -0.051 0.000 1.039 140 V CA 1.381 63.621 62.300 -0.100 0.000 1.045 140 V CB -0.245 31.520 31.823 -0.096 0.000 0.681 140 V HN 0.448 nan 8.190 nan 0.000 0.459 141 M N -0.273 119.303 119.600 -0.040 0.000 2.108 141 M HA -0.086 4.394 4.480 -0.000 0.000 0.261 141 M C 0.008 176.306 176.300 -0.005 0.000 1.066 141 M CA 1.937 57.221 55.300 -0.027 0.000 1.107 141 M CB -2.542 30.037 32.600 -0.035 0.000 1.356 141 M HN 0.269 nan 8.290 nan 0.000 0.406 142 P HA -0.083 nan 4.420 nan 0.000 0.217 142 P C 1.896 179.241 177.300 0.074 0.000 1.150 142 P CA 1.052 64.177 63.100 0.041 0.000 0.832 142 P CB -0.220 31.511 31.700 0.053 0.000 0.787 143 L N -1.442 119.826 121.223 0.076 0.000 2.046 143 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 143 L C 2.422 179.345 176.870 0.088 0.000 1.077 143 L CA 1.447 56.366 54.840 0.132 0.000 0.747 143 L CB -0.873 41.226 42.059 0.067 0.000 0.896 143 L HN -0.061 nan 8.230 nan 0.000 0.432 144 I N -0.085 120.496 120.570 0.019 0.000 2.252 144 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 144 I C 2.420 178.551 176.117 0.023 0.000 1.102 144 I CA 1.396 62.693 61.300 -0.005 0.000 1.385 144 I CB -0.168 37.832 38.000 0.000 0.000 1.064 144 I HN 0.171 nan 8.210 nan 0.000 0.414 145 I N 0.115 120.703 120.570 0.029 0.000 2.252 145 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 145 I C 2.632 178.796 176.117 0.078 0.000 1.102 145 I CA 1.124 62.445 61.300 0.035 0.000 1.385 145 I CB -0.437 37.563 38.000 0.001 0.000 1.064 145 I HN 0.261 nan 8.210 nan 0.000 0.414 146 Q N 1.588 121.446 119.800 0.096 0.000 2.050 146 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 146 Q C 2.169 178.210 176.000 0.068 0.000 0.980 146 Q CA 2.245 58.140 55.803 0.152 0.000 0.840 146 Q CB -0.788 28.110 28.738 0.265 0.000 0.898 146 Q HN 0.476 nan 8.270 nan 0.000 0.424 147 G N -0.693 107.981 108.800 -0.210 0.000 2.440 147 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 147 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 147 G C 1.356 176.085 174.900 -0.284 0.000 1.154 147 G CA 0.729 45.380 45.100 -0.748 0.000 0.767 147 G HN 0.449 nan 8.290 nan 0.000 0.552 148 F N 1.412 121.238 119.950 -0.206 0.000 2.102 148 F HA -0.008 4.519 4.527 -0.001 0.000 0.298 148 F C 2.722 178.479 175.800 -0.072 0.000 1.105 148 F CA 2.030 59.958 58.000 -0.120 0.000 1.239 148 F CB 0.036 38.987 39.000 -0.081 0.000 0.991 148 F HN 0.117 nan 8.300 nan 0.000 0.474 149 K N 0.193 120.732 120.400 0.231 0.000 2.057 149 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 149 K C 1.599 178.252 176.600 0.089 0.000 1.049 149 K CA 2.156 58.539 56.287 0.160 0.000 0.931 149 K CB -0.405 32.169 32.500 0.123 0.000 0.714 149 K HN 0.185 nan 8.250 nan 0.000 0.440 150 D N 0.560 121.000 120.400 0.067 0.000 2.117 150 D HA -0.108 4.531 4.640 -0.000 0.000 0.197 150 D C 1.842 178.154 176.300 0.020 0.000 0.987 150 D CA 1.455 55.500 54.000 0.075 0.000 0.829 150 D CB -0.252 40.651 40.800 0.171 0.000 0.961 150 D HN 0.395 nan 8.370 nan 0.000 0.460 151 A N 1.025 123.809 122.820 -0.061 0.000 1.877 151 A HA -0.041 4.278 4.320 -0.000 0.000 0.216 151 A C 2.318 179.863 177.584 -0.065 0.000 1.186 151 A CA 2.246 54.225 52.037 -0.096 0.000 0.620 151 A CB -0.884 17.984 19.000 -0.220 0.000 0.822 151 A HN 0.222 nan 8.150 nan 0.000 0.443 152 A N -0.355 122.424 122.820 -0.068 0.000 1.948 152 A HA -0.241 4.078 4.320 -0.000 0.000 0.220 152 A C 2.024 179.628 177.584 0.033 0.000 1.177 152 A CA 2.019 54.056 52.037 0.000 0.000 0.636 152 A CB -0.536 18.514 19.000 0.084 0.000 0.815 152 A HN 0.718 nan 8.150 nan 0.000 0.449 153 E N -0.458 119.765 120.200 0.038 0.000 2.072 153 E HA -0.210 4.140 4.350 -0.000 0.000 0.190 153 E C 2.039 178.661 176.600 0.036 0.000 0.982 153 E CA 1.074 57.499 56.400 0.043 0.000 0.803 153 E CB -0.186 29.544 29.700 0.050 0.000 0.755 153 E HN 0.757 nan 8.360 nan 0.000 0.453 154 E N 0.087 120.305 120.200 0.031 0.000 2.110 154 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 154 E C 1.778 178.398 176.600 0.033 0.000 0.988 154 E CA 1.037 57.453 56.400 0.026 0.000 0.804 154 E CB -0.160 29.552 29.700 0.019 0.000 0.745 154 E HN 0.319 nan 8.360 nan 0.000 0.458 155 A N 0.241 123.090 122.820 0.048 0.000 2.172 155 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 155 A C 1.731 179.363 177.584 0.080 0.000 1.154 155 A CA 1.186 53.279 52.037 0.093 0.000 0.701 155 A CB -0.705 18.361 19.000 0.110 0.000 0.789 155 A HN 0.534 nan 8.150 nan 0.000 0.465 156 G N -1.924 106.908 108.800 0.054 0.000 2.160 156 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.244 156 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.244 156 G C 0.266 175.195 174.900 0.048 0.000 1.022 156 G CA 0.923 46.051 45.100 0.046 0.000 0.741 156 G HN 1.170 nan 8.290 nan 0.000 0.508 157 T N -1.282 113.302 114.554 0.050 0.000 2.696 157 T HA 0.861 5.211 4.350 -0.000 0.000 0.291 157 T C -0.246 174.487 174.700 0.055 0.000 1.095 157 T CA 0.916 63.045 62.100 0.049 0.000 1.026 157 T CB 1.765 70.663 68.868 0.050 0.000 1.390 157 T HN 1.657 nan 8.240 nan 0.000 0.513 158 S N -0.058 115.677 115.700 0.059 0.000 2.570 158 S HA 0.661 5.131 4.470 -0.000 0.000 0.270 158 S C -1.449 173.195 174.600 0.073 0.000 1.149 158 S CA -0.732 57.509 58.200 0.067 0.000 0.837 158 S CB 1.194 64.422 63.200 0.048 0.000 1.124 158 S HN 0.586 nan 8.310 nan 0.000 0.465 159 V N 2.661 122.623 119.914 0.080 0.000 2.385 159 V HA 0.436 4.556 4.120 -0.000 0.000 0.269 159 V C 1.172 177.273 176.094 0.012 0.000 1.043 159 V CA 0.249 62.578 62.300 0.049 0.000 0.906 159 V CB 0.549 32.385 31.823 0.022 0.000 0.995 159 V HN 1.168 nan 8.190 nan 0.000 0.467 160 T N 0.474 115.030 114.554 0.003 0.000 3.084 160 T HA 0.572 4.922 4.350 -0.000 0.000 0.270 160 T C 0.509 175.199 174.700 -0.017 0.000 1.008 160 T CA 0.274 62.371 62.100 -0.004 0.000 0.900 160 T CB 0.496 69.366 68.868 0.004 0.000 1.084 160 T HN 1.019 nan 8.240 nan 0.000 0.538 161 G N -1.343 107.438 108.800 -0.032 0.000 2.356 161 G HA2 0.630 4.590 3.960 -0.000 0.000 0.294 161 G HA3 0.630 4.590 3.960 -0.000 0.000 0.294 161 G C -0.627 174.234 174.900 -0.065 0.000 1.423 161 G CA -0.064 45.011 45.100 -0.041 0.000 0.806 161 G HN 0.854 nan 8.290 nan 0.000 0.527 162 G N -1.424 107.335 108.800 -0.067 0.000 2.360 162 G HA2 0.626 4.586 3.960 -0.000 0.000 0.276 162 G HA3 0.626 4.586 3.960 -0.000 0.000 0.276 162 G C -1.883 172.971 174.900 -0.077 0.000 1.256 162 G CA 0.424 45.472 45.100 -0.087 0.000 0.890 162 G HN 1.308 nan 8.290 nan 0.000 0.486 163 Q N -0.496 119.251 119.800 -0.089 0.000 2.295 163 Q HA 0.683 5.023 4.340 -0.000 0.000 0.268 163 Q C -1.525 174.423 176.000 -0.086 0.000 1.010 163 Q CA -0.354 55.402 55.803 -0.077 0.000 0.856 163 Q CB 2.108 30.802 28.738 -0.074 0.000 1.349 163 Q HN 0.676 nan 8.270 nan 0.000 0.412 164 T N 2.878 117.390 114.554 -0.071 0.000 2.906 164 T HA 0.672 5.022 4.350 -0.000 0.000 0.302 164 T C -1.408 173.260 174.700 -0.052 0.000 1.002 164 T CA -0.508 61.552 62.100 -0.067 0.000 0.988 164 T CB 1.193 70.022 68.868 -0.064 0.000 0.972 164 T HN 0.436 nan 8.240 nan 0.000 0.447 165 V N 2.634 122.518 119.914 -0.050 0.000 3.102 165 V HA 0.896 5.016 4.120 -0.000 0.000 0.312 165 V C -0.440 175.636 176.094 -0.030 0.000 1.135 165 V CA -0.941 61.335 62.300 -0.041 0.000 1.022 165 V CB 1.719 33.514 31.823 -0.047 0.000 1.056 165 V HN 1.003 nan 8.190 nan 0.000 0.436 166 L N 2.896 124.104 121.223 -0.024 0.000 2.410 166 L HA 0.793 5.133 4.340 -0.000 0.000 0.273 166 L C -0.211 176.650 176.870 -0.014 0.000 1.152 166 L CA 0.222 55.053 54.840 -0.014 0.000 0.855 166 L CB -0.173 41.879 42.059 -0.011 0.000 1.129 166 L HN 0.959 nan 8.230 nan 0.000 0.463 167 N N 1.410 120.112 118.700 0.004 0.000 2.396 167 N HA 0.643 5.383 4.740 -0.000 0.000 0.275 167 N C -2.304 173.218 175.510 0.021 0.000 1.218 167 N CA -1.237 51.808 53.050 -0.007 0.000 0.812 167 N CB 2.822 41.321 38.487 0.020 0.000 1.592 167 N HN 0.233 nan 8.380 nan 0.000 0.480 168 P HA -0.047 nan 4.420 nan 0.000 0.217 168 P C -0.579 176.890 177.300 0.280 0.000 1.148 168 P CA 1.315 64.426 63.100 0.018 0.000 0.828 168 P CB 0.101 31.678 31.700 -0.205 0.000 0.783 169 W N -1.008 120.318 121.300 0.043 0.000 2.647 169 W HA 0.428 5.088 4.660 -0.001 0.000 0.353 169 W C 0.165 176.759 176.519 0.124 0.000 1.080 169 W CA -1.667 55.718 57.345 0.066 0.000 1.208 169 W CB -0.059 29.338 29.460 -0.105 0.000 1.396 169 W HN -0.333 nan 8.180 nan 0.000 0.573 170 I N 2.747 123.556 120.570 0.398 0.000 2.436 170 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 170 I C -0.096 176.261 176.117 0.399 0.000 1.083 170 I CA -0.181 61.286 61.300 0.277 0.000 1.372 170 I CB -0.045 38.058 38.000 0.173 0.000 1.408 170 I HN -0.188 nan 8.210 nan 0.000 0.516 171 V N 8.286 128.378 119.914 0.297 0.000 2.435 171 V HA 0.443 4.562 4.120 -0.000 0.000 0.290 171 V C -0.010 176.156 176.094 0.120 0.000 1.030 171 V CA -0.549 61.912 62.300 0.268 0.000 0.881 171 V CB 1.708 33.627 31.823 0.159 0.000 0.983 171 V HN 0.472 nan 8.190 nan 0.000 0.445 172 L N 4.944 126.233 121.223 0.110 0.000 2.406 172 L HA 0.872 5.211 4.340 -0.000 0.000 0.270 172 L C 0.403 177.354 176.870 0.135 0.000 0.982 172 L CA -0.006 54.895 54.840 0.102 0.000 0.843 172 L CB 1.578 43.707 42.059 0.117 0.000 1.225 172 L HN 0.849 nan 8.230 nan 0.000 0.412 173 G N 1.244 110.125 108.800 0.135 0.000 2.772 173 G HA2 0.862 4.822 3.960 -0.000 0.000 0.284 173 G HA3 0.862 4.822 3.960 -0.000 0.000 0.284 173 G C -0.854 174.157 174.900 0.185 0.000 1.217 173 G CA -0.040 45.172 45.100 0.187 0.000 0.831 173 G HN 0.832 nan 8.290 nan 0.000 0.523 174 G N -2.486 106.405 108.800 0.152 0.000 2.317 174 G HA2 0.572 4.532 3.960 -0.000 0.000 0.293 174 G HA3 0.572 4.532 3.960 -0.000 0.000 0.293 174 G C -2.068 172.888 174.900 0.093 0.000 1.287 174 G CA 0.316 45.492 45.100 0.127 0.000 0.850 174 G HN 1.455 nan 8.290 nan 0.000 0.515 175 V N -0.156 119.803 119.914 0.076 0.000 2.709 175 V HA 0.838 4.957 4.120 -0.000 0.000 0.308 175 V C 0.158 176.272 176.094 0.034 0.000 1.062 175 V CA -0.221 62.101 62.300 0.037 0.000 0.901 175 V CB 1.420 33.253 31.823 0.017 0.000 1.003 175 V HN 1.882 nan 8.190 nan 0.000 0.425 176 A N 2.653 125.471 122.820 -0.003 0.000 2.319 176 A HA 0.873 5.193 4.320 -0.000 0.000 0.310 176 A C -0.252 177.313 177.584 -0.032 0.000 1.152 176 A CA -0.479 51.544 52.037 -0.025 0.000 0.783 176 A CB 1.355 20.308 19.000 -0.080 0.000 1.184 176 A HN 0.752 nan 8.150 nan 0.000 0.474 177 T N 2.050 116.595 114.554 -0.016 0.000 2.848 177 T HA 0.691 5.041 4.350 -0.000 0.000 0.285 177 T C -0.448 174.251 174.700 -0.003 0.000 0.995 177 T CA -0.295 61.797 62.100 -0.013 0.000 0.970 177 T CB 1.664 70.529 68.868 -0.005 0.000 0.976 177 T HN 0.607 nan 8.240 nan 0.000 0.441 178 T N 1.830 116.383 114.554 -0.002 0.000 2.893 178 T HA 0.503 4.853 4.350 -0.000 0.000 0.293 178 T C -0.359 174.355 174.700 0.024 0.000 1.027 178 T CA -0.637 61.476 62.100 0.021 0.000 0.988 178 T CB 1.549 70.441 68.868 0.041 0.000 1.043 178 T HN 0.364 nan 8.240 nan 0.000 0.461 179 V N 2.410 122.349 119.914 0.041 0.000 2.304 179 V HA 0.301 4.420 4.120 -0.000 0.000 0.269 179 V C 0.148 176.294 176.094 0.086 0.000 1.036 179 V CA -0.781 61.551 62.300 0.053 0.000 0.840 179 V CB -0.249 31.605 31.823 0.051 0.000 1.036 179 V HN 1.041 nan 8.190 nan 0.000 0.466 180 C N 4.226 123.603 119.300 0.127 0.000 2.365 180 C HA 0.552 5.012 4.460 -0.000 0.000 0.349 180 C C 0.419 175.546 174.990 0.228 0.000 1.191 180 C CA -0.921 58.222 59.018 0.208 0.000 2.114 180 C CB 1.297 29.266 27.740 0.382 0.000 2.367 180 C HN 0.711 nan 8.230 nan 0.000 0.530 181 Q N 1.202 121.105 119.800 0.172 0.000 2.317 181 Q HA 0.196 4.535 4.340 -0.000 0.000 0.229 181 Q C -1.598 174.456 176.000 0.090 0.000 0.984 181 Q CA -1.466 54.412 55.803 0.125 0.000 0.911 181 Q CB 0.250 29.021 28.738 0.056 0.000 1.217 181 Q HN 0.403 nan 8.270 nan 0.000 0.501 182 P HA -0.179 nan 4.420 nan 0.000 0.217 182 P C 0.601 177.533 177.300 -0.613 0.000 1.148 182 P CA 1.647 64.542 63.100 -0.340 0.000 0.828 182 P CB 0.234 31.848 31.700 -0.143 0.000 0.783 183 N N -0.905 117.635 118.700 -0.267 0.000 2.422 183 N HA -0.077 4.663 4.740 -0.000 0.000 0.181 183 N C 1.248 176.743 175.510 -0.024 0.000 1.080 183 N CA 0.643 53.593 53.050 -0.165 0.000 0.893 183 N CB -1.056 37.396 38.487 -0.058 0.000 0.973 183 N HN 0.139 nan 8.380 nan 0.000 0.456 184 E N -0.545 119.643 120.200 -0.020 0.000 2.347 184 E HA 0.001 4.350 4.350 -0.000 0.000 0.196 184 E C -0.452 176.346 176.600 0.331 0.000 1.008 184 E CA 0.435 56.918 56.400 0.138 0.000 0.852 184 E CB -0.125 29.657 29.700 0.138 0.000 0.783 184 E HN 0.647 nan 8.360 nan 0.000 0.505 185 F N -0.950 119.120 119.950 0.200 0.000 2.561 185 F HA 0.608 5.135 4.527 -0.000 0.000 0.321 185 F C -0.647 175.193 175.800 0.067 0.000 1.065 185 F CA -1.548 56.536 58.000 0.139 0.000 0.934 185 F CB 0.971 40.024 39.000 0.088 0.000 1.215 185 F HN -0.353 nan 8.300 nan 0.000 0.471 186 I N 4.594 125.275 120.570 0.186 0.000 2.382 186 I HA 0.232 4.402 4.170 -0.000 0.000 0.286 186 I C -0.417 175.797 176.117 0.162 0.000 1.002 186 I CA -0.782 60.546 61.300 0.047 0.000 1.135 186 I CB 1.602 39.548 38.000 -0.091 0.000 1.288 186 I HN 0.519 nan 8.210 nan 0.000 0.448 187 M N 7.994 127.702 119.600 0.179 0.000 2.252 187 M HA 0.144 4.624 4.480 -0.000 0.000 0.348 187 M C -1.997 174.370 176.300 0.111 0.000 1.334 187 M CA -1.485 53.919 55.300 0.173 0.000 1.071 187 M CB -0.069 32.628 32.600 0.162 0.000 1.763 187 M HN 0.210 nan 8.290 nan 0.000 0.452 188 P HA 0.159 nan 4.420 nan 0.000 0.220 188 P C -0.718 176.645 177.300 0.105 0.000 1.778 188 P CA 0.121 63.280 63.100 0.098 0.000 0.912 188 P CB -0.576 31.180 31.700 0.094 0.000 1.861 189 D N -2.741 117.717 120.400 0.096 0.000 2.567 189 D HA 0.011 4.651 4.640 -0.000 0.000 0.268 189 D C 0.554 176.893 176.300 0.065 0.000 1.448 189 D CA -0.089 53.963 54.000 0.086 0.000 0.811 189 D CB -1.189 39.650 40.800 0.065 0.000 1.192 189 D HN -0.180 nan 8.370 nan 0.000 0.488 190 N N 0.768 119.505 118.700 0.062 0.000 2.251 190 N HA 0.340 5.080 4.740 -0.000 0.000 0.217 190 N C -0.202 175.278 175.510 -0.050 0.000 1.124 190 N CA -0.009 53.026 53.050 -0.024 0.000 0.843 190 N CB 0.399 38.847 38.487 -0.064 0.000 1.024 190 N HN 0.380 nan 8.380 nan 0.000 0.501 191 A N 0.185 123.062 122.820 0.096 0.000 2.462 191 A HA 0.412 4.732 4.320 -0.000 0.000 0.243 191 A C 0.261 177.903 177.584 0.095 0.000 1.076 191 A CA -0.224 51.910 52.037 0.161 0.000 0.773 191 A CB 0.192 19.346 19.000 0.257 0.000 1.010 191 A HN 0.189 nan 8.150 nan 0.000 0.493 192 V N -0.635 119.350 119.914 0.117 0.000 2.914 192 V HA 0.719 4.839 4.120 -0.000 0.000 0.314 192 V C -3.026 173.132 176.094 0.108 0.000 1.084 192 V CA -2.934 59.413 62.300 0.079 0.000 0.963 192 V CB 1.620 33.464 31.823 0.034 0.000 1.025 192 V HN 0.651 nan 8.190 nan 0.000 0.432 193 P HA 0.345 nan 4.420 nan 0.000 0.264 193 P C 0.959 178.304 177.300 0.076 0.000 1.193 193 P CA 1.956 65.107 63.100 0.085 0.000 0.763 193 P CB 0.736 32.474 31.700 0.063 0.000 0.810 194 G N 1.979 110.823 108.800 0.074 0.000 2.232 194 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.226 194 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.226 194 G C 0.140 175.069 174.900 0.048 0.000 0.996 194 G CA -0.344 44.790 45.100 0.056 0.000 0.626 194 G HN 0.477 nan 8.290 nan 0.000 0.509 195 D N 0.471 120.910 120.400 0.064 0.000 2.362 195 D HA 0.466 5.106 4.640 -0.000 0.000 0.238 195 D C 1.113 177.401 176.300 -0.020 0.000 1.212 195 D CA 0.887 54.901 54.000 0.023 0.000 0.902 195 D CB 1.601 42.430 40.800 0.049 0.000 1.180 195 D HN 1.018 nan 8.370 nan 0.000 0.445 196 V N -1.834 118.037 119.914 -0.071 0.000 3.103 196 V HA 0.617 4.736 4.120 -0.000 0.000 0.318 196 V C -0.411 175.595 176.094 -0.148 0.000 1.114 196 V CA -1.021 61.231 62.300 -0.081 0.000 1.020 196 V CB 1.540 33.326 31.823 -0.062 0.000 1.085 196 V HN 0.319 nan 8.190 nan 0.000 0.446 197 L N 2.047 123.194 121.223 -0.127 0.000 2.280 197 L HA 0.621 4.961 4.340 -0.000 0.000 0.287 197 L C -0.742 176.070 176.870 -0.097 0.000 1.023 197 L CA -0.640 54.103 54.840 -0.162 0.000 0.819 197 L CB 1.662 43.632 42.059 -0.149 0.000 1.212 197 L HN 0.502 nan 8.230 nan 0.000 0.420 198 V N 4.766 124.597 119.914 -0.139 0.000 2.370 198 V HA 0.366 4.486 4.120 -0.000 0.000 0.283 198 V C -0.246 175.837 176.094 -0.018 0.000 1.023 198 V CA -0.507 61.740 62.300 -0.087 0.000 0.857 198 V CB 2.065 33.740 31.823 -0.247 0.000 0.985 198 V HN 0.430 nan 8.190 nan 0.000 0.443 199 L N 5.081 126.371 121.223 0.110 0.000 2.296 199 L HA 0.566 4.906 4.340 -0.000 0.000 0.286 199 L C 1.135 178.184 176.870 0.297 0.000 1.023 199 L CA 0.489 55.428 54.840 0.164 0.000 0.812 199 L CB 2.058 44.209 42.059 0.153 0.000 1.223 199 L HN 0.786 nan 8.230 nan 0.000 0.421 200 T N 0.089 114.783 114.554 0.233 0.000 3.069 200 T HA 0.344 4.693 4.350 -0.000 0.000 0.252 200 T C 0.552 175.400 174.700 0.248 0.000 1.053 200 T CA 0.069 62.303 62.100 0.224 0.000 0.964 200 T CB -0.057 68.918 68.868 0.179 0.000 1.005 200 T HN 0.494 nan 8.240 nan 0.000 0.532 201 K N 1.648 122.222 120.400 0.289 0.000 2.477 201 K HA 0.565 4.884 4.320 -0.000 0.000 0.255 201 K C -3.182 173.549 176.600 0.218 0.000 0.952 201 K CA -2.443 54.004 56.287 0.267 0.000 0.826 201 K CB 2.336 34.891 32.500 0.091 0.000 1.331 201 K HN -0.041 nan 8.250 nan 0.000 0.437 202 P HA 0.224 nan 4.420 nan 0.000 0.277 202 P C -0.578 176.658 177.300 -0.107 0.000 1.240 202 P CA -0.444 62.552 63.100 -0.173 0.000 0.798 202 P CB 0.603 32.201 31.700 -0.171 0.000 0.979 203 L N 0.564 121.698 121.223 -0.148 0.000 2.490 203 L HA 0.530 4.870 4.340 -0.000 0.000 0.245 203 L C 1.637 178.455 176.870 -0.086 0.000 1.185 203 L CA 0.155 54.942 54.840 -0.088 0.000 0.813 203 L CB -0.437 41.573 42.059 -0.081 0.000 1.233 203 L HN 0.757 nan 8.230 nan 0.000 0.489 204 G N -0.840 107.922 108.800 -0.063 0.000 2.131 204 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.223 204 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.223 204 G C 0.795 175.646 174.900 -0.082 0.000 0.990 204 G CA 0.503 45.552 45.100 -0.084 0.000 0.671 204 G HN 0.805 nan 8.290 nan 0.000 0.521 205 T N -2.339 112.185 114.554 -0.050 0.000 2.746 205 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 205 T C 2.010 176.688 174.700 -0.037 0.000 1.039 205 T CA 2.140 64.213 62.100 -0.045 0.000 1.142 205 T CB -0.139 68.708 68.868 -0.035 0.000 0.866 205 T HN 0.457 nan 8.240 nan 0.000 0.444 206 Q N 1.035 120.833 119.800 -0.003 0.000 2.050 206 Q HA -0.033 4.306 4.340 -0.000 0.000 0.202 206 Q C 2.318 178.306 176.000 -0.021 0.000 0.980 206 Q CA 1.815 57.651 55.803 0.055 0.000 0.840 206 Q CB -0.902 27.937 28.738 0.167 0.000 0.898 206 Q HN 0.498 nan 8.270 nan 0.000 0.424 207 V N 0.802 120.568 119.914 -0.245 0.000 2.287 207 V HA -0.323 3.796 4.120 -0.000 0.000 0.248 207 V C 2.300 178.170 176.094 -0.373 0.000 1.053 207 V CA 1.948 63.848 62.300 -0.667 0.000 1.027 207 V CB -1.388 29.993 31.823 -0.736 0.000 0.646 207 V HN 0.541 nan 8.190 nan 0.000 0.447 208 A N 0.320 123.027 122.820 -0.188 0.000 1.902 208 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 208 A C 2.385 179.981 177.584 0.020 0.000 1.181 208 A CA 2.343 54.337 52.037 -0.070 0.000 0.623 208 A CB -0.663 18.315 19.000 -0.036 0.000 0.818 208 A HN 0.632 nan 8.150 nan 0.000 0.443 209 V N -2.777 117.146 119.914 0.015 0.000 2.407 209 V HA 0.124 4.244 4.120 -0.000 0.000 0.245 209 V C 2.538 178.649 176.094 0.029 0.000 1.041 209 V CA 1.449 63.810 62.300 0.102 0.000 1.040 209 V CB -1.364 30.505 31.823 0.076 0.000 0.671 209 V HN 0.467 nan 8.190 nan 0.000 0.455 210 A N 0.314 123.078 122.820 -0.094 0.000 1.858 210 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 210 A C 2.445 179.654 177.584 -0.625 0.000 1.190 210 A CA 2.162 54.038 52.037 -0.269 0.000 0.617 210 A CB -1.083 17.809 19.000 -0.181 0.000 0.827 210 A HN 0.450 nan 8.150 nan 0.000 0.443 211 V N -0.496 119.042 119.914 -0.627 0.000 2.594 211 V HA -0.262 3.858 4.120 -0.000 0.000 0.253 211 V C 2.387 178.466 176.094 -0.026 0.000 1.069 211 V CA 2.684 64.711 62.300 -0.456 0.000 1.082 211 V CB -0.820 30.837 31.823 -0.276 0.000 0.680 211 V HN 0.833 nan 8.190 nan 0.000 0.469 212 H N -0.077 118.920 119.070 -0.122 0.000 2.395 212 H HA -0.108 4.447 4.556 -0.000 0.000 0.299 212 H C 2.315 177.573 175.328 -0.117 0.000 1.070 212 H CA 2.000 57.961 56.048 -0.144 0.000 1.356 212 H CB 0.115 29.720 29.762 -0.262 0.000 1.401 212 H HN 0.530 nan 8.280 nan 0.000 0.524 213 Q N -1.121 118.671 119.800 -0.014 0.000 2.230 213 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 213 Q C 1.424 177.531 176.000 0.178 0.000 0.963 213 Q CA 0.811 56.629 55.803 0.024 0.000 0.866 213 Q CB 0.010 28.783 28.738 0.059 0.000 0.931 213 Q HN 0.576 nan 8.270 nan 0.000 0.452 214 W N 1.097 122.428 121.300 0.052 0.000 2.465 214 W HA -0.042 4.617 4.660 -0.000 0.000 0.268 214 W C 1.689 178.276 176.519 0.113 0.000 1.242 214 W CA 0.508 57.925 57.345 0.119 0.000 1.248 214 W CB -0.420 29.175 29.460 0.226 0.000 1.118 214 W HN 0.236 nan 8.180 nan 0.000 0.587 215 L N -1.944 119.368 121.223 0.147 0.000 2.376 215 L HA 0.058 4.398 4.340 -0.000 0.000 0.219 215 L C 1.134 177.878 176.870 -0.210 0.000 1.133 215 L CA 1.597 56.294 54.840 -0.238 0.000 0.816 215 L CB -1.277 40.314 42.059 -0.780 0.000 0.933 215 L HN -0.251 nan 8.230 nan 0.000 0.449 216 D N 0.674 121.003 120.400 -0.119 0.000 2.349 216 D HA 0.221 4.861 4.640 -0.000 0.000 0.224 216 D C 0.438 176.722 176.300 -0.027 0.000 1.029 216 D CA 0.656 54.597 54.000 -0.098 0.000 0.879 216 D CB 0.410 41.152 40.800 -0.097 0.000 0.906 216 D HN 0.429 nan 8.370 nan 0.000 0.528 217 I N 0.811 121.402 120.570 0.037 0.000 2.563 217 I HA 0.134 4.304 4.170 -0.000 0.000 0.276 217 I C -1.817 174.345 176.117 0.075 0.000 1.074 217 I CA -1.981 59.346 61.300 0.045 0.000 1.124 217 I CB 2.511 40.540 38.000 0.048 0.000 1.225 217 I HN -0.367 nan 8.210 nan 0.000 0.482 218 P HA -0.326 nan 4.420 nan 0.000 0.216 218 P C 1.804 179.141 177.300 0.062 0.000 1.151 218 P CA 2.703 65.856 63.100 0.088 0.000 0.953 218 P CB 0.260 31.984 31.700 0.040 0.000 0.789 219 E N -0.262 119.936 120.200 -0.004 0.000 2.086 219 E HA -0.353 3.997 4.350 -0.000 0.000 0.205 219 E C 2.173 178.710 176.600 -0.104 0.000 1.027 219 E CA 3.025 59.393 56.400 -0.054 0.000 0.830 219 E CB -1.922 27.732 29.700 -0.078 0.000 0.751 219 E HN 0.437 nan 8.360 nan 0.000 0.456 220 K N 0.011 120.322 120.400 -0.148 0.000 2.025 220 K HA -0.042 4.278 4.320 -0.000 0.000 0.207 220 K C 2.099 178.634 176.600 -0.109 0.000 1.049 220 K CA 1.454 57.540 56.287 -0.335 0.000 0.933 220 K CB -1.289 30.851 32.500 -0.601 0.000 0.714 220 K HN 0.745 nan 8.250 nan 0.000 0.438 221 W N 1.778 123.041 121.300 -0.061 0.000 2.421 221 W HA -0.201 4.458 4.660 -0.000 0.000 0.270 221 W C 0.944 177.468 176.519 0.008 0.000 1.233 221 W CA 1.439 58.805 57.345 0.035 0.000 1.226 221 W CB -0.012 29.471 29.460 0.038 0.000 1.121 221 W HN 0.378 nan 8.180 nan 0.000 0.579 222 N N 1.239 119.903 118.700 -0.060 0.000 2.223 222 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 222 N C 2.067 177.444 175.510 -0.222 0.000 1.016 222 N CA 2.882 55.849 53.050 -0.139 0.000 0.863 222 N CB -0.796 37.658 38.487 -0.056 0.000 0.983 222 N HN 0.286 nan 8.380 nan 0.000 0.429 223 K N 1.263 121.535 120.400 -0.213 0.000 1.973 223 K HA -0.045 4.275 4.320 -0.000 0.000 0.210 223 K C 1.765 178.243 176.600 -0.203 0.000 1.045 223 K CA 1.788 57.963 56.287 -0.186 0.000 0.937 223 K CB -1.291 31.095 32.500 -0.190 0.000 0.721 223 K HN 0.338 nan 8.250 nan 0.000 0.438 224 I N -0.420 120.011 120.570 -0.233 0.000 3.684 224 I HA 0.241 4.410 4.170 -0.000 0.000 0.304 224 I C 1.874 177.663 176.117 -0.548 0.000 1.278 224 I CA 0.449 61.601 61.300 -0.247 0.000 1.272 224 I CB -0.282 37.688 38.000 -0.049 0.000 1.029 224 I HN 0.345 nan 8.210 nan 0.000 0.458 225 K N 2.045 121.955 120.400 -0.817 0.000 2.173 225 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 225 K C 1.868 178.236 176.600 -0.387 0.000 1.046 225 K CA 2.277 58.015 56.287 -0.914 0.000 0.929 225 K CB -0.207 31.894 32.500 -0.665 0.000 0.720 225 K HN 0.531 nan 8.250 nan 0.000 0.453 226 L N 0.117 121.183 121.223 -0.262 0.000 2.591 226 L HA 0.122 4.461 4.340 -0.000 0.000 0.228 226 L C 1.994 178.802 176.870 -0.103 0.000 1.133 226 L CA 0.751 55.510 54.840 -0.136 0.000 0.880 226 L CB -0.198 41.800 42.059 -0.102 0.000 1.033 226 L HN 0.102 nan 8.230 nan 0.000 0.450 227 V N -1.740 118.096 119.914 -0.130 0.000 2.788 227 V HA 0.301 4.420 4.120 -0.000 0.000 0.241 227 V C 0.893 176.955 176.094 -0.053 0.000 1.083 227 V CA 0.933 63.187 62.300 -0.078 0.000 1.103 227 V CB 1.366 33.148 31.823 -0.067 0.000 0.800 227 V HN 0.360 nan 8.190 nan 0.000 0.476 228 V N 0.167 120.039 119.914 -0.070 0.000 2.971 228 V HA 0.582 4.701 4.120 -0.000 0.000 0.309 228 V C -0.173 175.985 176.094 0.107 0.000 1.130 228 V CA -0.102 62.210 62.300 0.019 0.000 0.964 228 V CB 2.453 34.304 31.823 0.047 0.000 1.029 228 V HN 0.519 nan 8.190 nan 0.000 0.427 229 T N 2.385 117.036 114.554 0.161 0.000 2.868 229 T HA 0.441 4.790 4.350 -0.000 0.000 0.292 229 T C 1.208 176.118 174.700 0.350 0.000 1.028 229 T CA 0.750 62.997 62.100 0.244 0.000 1.059 229 T CB 1.457 70.413 68.868 0.147 0.000 0.991 229 T HN 1.328 nan 8.240 nan 0.000 0.531 230 Q N 0.433 120.428 119.800 0.324 0.000 2.181 230 Q HA -0.006 4.334 4.340 -0.000 0.000 0.205 230 Q C 2.503 178.546 176.000 0.071 0.000 0.980 230 Q CA 2.591 58.445 55.803 0.085 0.000 0.862 230 Q CB -1.858 26.807 28.738 -0.122 0.000 0.905 230 Q HN 1.099 nan 8.270 nan 0.000 0.429 231 E N 1.605 121.860 120.200 0.092 0.000 2.047 231 E HA -0.212 4.137 4.350 -0.000 0.000 0.191 231 E C 1.906 178.565 176.600 0.097 0.000 0.987 231 E CA 1.302 57.749 56.400 0.079 0.000 0.799 231 E CB -0.727 29.013 29.700 0.067 0.000 0.752 231 E HN 0.761 nan 8.360 nan 0.000 0.449 232 D N 0.148 120.616 120.400 0.112 0.000 2.104 232 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 232 D C 2.064 178.437 176.300 0.123 0.000 0.994 232 D CA 1.580 55.643 54.000 0.104 0.000 0.830 232 D CB -0.477 40.382 40.800 0.098 0.000 0.959 232 D HN 0.299 nan 8.370 nan 0.000 0.452 233 V N 0.709 120.724 119.914 0.168 0.000 2.332 233 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 233 V C 2.389 178.613 176.094 0.217 0.000 1.055 233 V CA 1.852 64.269 62.300 0.194 0.000 1.038 233 V CB -0.450 31.520 31.823 0.246 0.000 0.651 233 V HN 0.139 nan 8.190 nan 0.000 0.450 234 E N -0.032 120.279 120.200 0.185 0.000 2.153 234 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 234 E C 2.005 178.719 176.600 0.190 0.000 0.988 234 E CA 1.252 57.779 56.400 0.211 0.000 0.811 234 E CB -0.231 29.555 29.700 0.144 0.000 0.746 234 E HN 0.414 nan 8.360 nan 0.000 0.466 235 L N -0.279 121.026 121.223 0.136 0.000 2.095 235 L HA 0.075 4.414 4.340 -0.000 0.000 0.204 235 L C 2.283 179.202 176.870 0.082 0.000 1.080 235 L CA 1.338 56.237 54.840 0.098 0.000 0.759 235 L CB -1.095 41.010 42.059 0.076 0.000 0.914 235 L HN 0.269 nan 8.230 nan 0.000 0.439 236 A N -1.239 121.633 122.820 0.087 0.000 2.015 236 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 236 A C 2.103 179.718 177.584 0.051 0.000 1.163 236 A CA 1.009 53.077 52.037 0.052 0.000 0.646 236 A CB -0.604 18.418 19.000 0.037 0.000 0.806 236 A HN 0.472 nan 8.150 nan 0.000 0.448 237 Y N 0.234 120.497 120.300 -0.063 0.000 2.153 237 Y HA -0.171 4.378 4.550 -0.000 0.000 0.289 237 Y C 2.485 178.305 175.900 -0.133 0.000 1.127 237 Y CA 2.055 60.058 58.100 -0.163 0.000 1.131 237 Y CB -0.245 37.982 38.460 -0.390 0.000 0.995 237 Y HN 0.262 nan 8.280 nan 0.000 0.505 238 Q N 0.571 120.328 119.800 -0.072 0.000 2.135 238 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 238 Q C 2.072 177.995 176.000 -0.128 0.000 0.981 238 Q CA 1.657 57.378 55.803 -0.136 0.000 0.856 238 Q CB -0.278 28.471 28.738 0.019 0.000 0.902 238 Q HN 0.614 nan 8.270 nan 0.000 0.425 239 E N 0.271 120.431 120.200 -0.066 0.000 2.046 239 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 239 E C 1.929 178.483 176.600 -0.078 0.000 0.982 239 E CA 0.969 57.343 56.400 -0.043 0.000 0.800 239 E CB -0.098 29.601 29.700 -0.003 0.000 0.756 239 E HN 0.285 nan 8.360 nan 0.000 0.449 240 A N 1.468 124.225 122.820 -0.105 0.000 1.883 240 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 240 A C 2.260 179.745 177.584 -0.164 0.000 1.186 240 A CA 2.061 54.027 52.037 -0.118 0.000 0.624 240 A CB -0.620 18.310 19.000 -0.115 0.000 0.822 240 A HN 0.301 nan 8.150 nan 0.000 0.444 241 M N -1.339 118.101 119.600 -0.266 0.000 2.117 241 M HA -0.151 4.328 4.480 -0.000 0.000 0.262 241 M C 2.151 178.352 176.300 -0.165 0.000 1.065 241 M CA 1.832 56.963 55.300 -0.281 0.000 1.114 241 M CB -0.205 32.115 32.600 -0.466 0.000 1.361 241 M HN 0.371 nan 8.290 nan 0.000 0.408 242 M N 0.572 120.094 119.600 -0.130 0.000 2.065 242 M HA -0.216 4.264 4.480 -0.000 0.000 0.259 242 M C 1.699 177.945 176.300 -0.089 0.000 1.069 242 M CA 1.792 57.047 55.300 -0.076 0.000 1.110 242 M CB -1.422 31.155 32.600 -0.038 0.000 1.328 242 M HN 0.377 nan 8.290 nan 0.000 0.405 243 N N 0.218 118.861 118.700 -0.094 0.000 2.188 243 N HA -0.062 4.678 4.740 -0.000 0.000 0.184 243 N C 1.671 177.118 175.510 -0.105 0.000 1.018 243 N CA 1.209 54.191 53.050 -0.114 0.000 0.858 243 N CB -0.429 38.016 38.487 -0.070 0.000 0.989 243 N HN 0.433 nan 8.380 nan 0.000 0.426 244 M N 0.178 119.721 119.600 -0.096 0.000 2.296 244 M HA 0.020 4.499 4.480 -0.000 0.000 0.265 244 M C 1.851 178.094 176.300 -0.096 0.000 1.064 244 M CA 1.080 56.326 55.300 -0.090 0.000 1.109 244 M CB -0.160 32.383 32.600 -0.094 0.000 1.396 244 M HN 0.126 nan 8.290 nan 0.000 0.430 245 A N -0.096 122.665 122.820 -0.099 0.000 2.169 245 A HA 0.026 4.346 4.320 -0.000 0.000 0.212 245 A C 1.279 178.813 177.584 -0.084 0.000 1.153 245 A CA 0.005 51.985 52.037 -0.095 0.000 0.756 245 A CB -0.272 18.681 19.000 -0.077 0.000 0.813 245 A HN 0.346 nan 8.150 nan 0.000 0.471 246 R N 1.157 121.597 120.500 -0.100 0.000 2.370 246 R HA 0.279 4.619 4.340 -0.000 0.000 0.309 246 R C -0.791 175.461 176.300 -0.079 0.000 1.059 246 R CA -0.184 55.844 56.100 -0.120 0.000 0.981 246 R CB 0.033 30.186 30.300 -0.246 0.000 0.972 246 R HN 0.385 nan 8.270 nan 0.000 0.437 247 L N 4.292 125.484 121.223 -0.051 0.000 2.426 247 L HA 0.032 4.372 4.340 -0.000 0.000 0.271 247 L C 1.133 177.953 176.870 -0.082 0.000 1.169 247 L CA -0.200 54.638 54.840 -0.002 0.000 0.836 247 L CB 0.527 42.583 42.059 -0.006 0.000 1.112 247 L HN 0.648 nan 8.230 nan 0.000 0.465 248 N N 1.603 120.291 118.700 -0.021 0.000 2.370 248 N HA -0.020 4.720 4.740 -0.000 0.000 0.198 248 N C 1.472 176.654 175.510 -0.546 0.000 1.156 248 N CA 0.144 53.133 53.050 -0.102 0.000 0.839 248 N CB -0.034 38.547 38.487 0.156 0.000 0.989 248 N HN 0.492 nan 8.380 nan 0.000 0.468 249 R N 0.589 120.450 120.500 -1.064 0.000 2.096 249 R HA -0.108 4.231 4.340 -0.000 0.000 0.240 249 R C 1.492 177.517 176.300 -0.459 0.000 1.139 249 R CA 1.821 57.191 56.100 -1.218 0.000 0.952 249 R CB -0.180 29.663 30.300 -0.763 0.000 0.854 249 R HN 0.032 nan 8.270 nan 0.000 0.436 250 T N 0.489 114.880 114.554 -0.271 0.000 2.684 250 T HA -0.156 4.193 4.350 -0.000 0.000 0.267 250 T C 1.781 176.431 174.700 -0.082 0.000 1.036 250 T CA 1.490 63.507 62.100 -0.138 0.000 1.148 250 T CB -0.372 68.435 68.868 -0.101 0.000 0.863 250 T HN 0.504 nan 8.240 nan 0.000 0.436 251 A N 1.394 124.179 122.820 -0.060 0.000 1.908 251 A HA 0.082 4.401 4.320 -0.000 0.000 0.218 251 A C 2.639 180.323 177.584 0.167 0.000 1.181 251 A CA 1.972 54.063 52.037 0.089 0.000 0.627 251 A CB -1.116 17.968 19.000 0.140 0.000 0.818 251 A HN 0.522 nan 8.150 nan 0.000 0.445 252 A N -0.518 122.345 122.820 0.072 0.000 1.902 252 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 252 A C 2.424 180.142 177.584 0.223 0.000 1.181 252 A CA 2.014 54.144 52.037 0.156 0.000 0.623 252 A CB -1.390 17.709 19.000 0.166 0.000 0.818 252 A HN 0.745 nan 8.150 nan 0.000 0.443 253 G N -0.508 108.371 108.800 0.131 0.000 2.402 253 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.216 253 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.216 253 G C 1.311 176.335 174.900 0.208 0.000 1.162 253 G CA 1.089 46.275 45.100 0.142 0.000 0.777 253 G HN 0.363 nan 8.290 nan 0.000 0.539 254 L N 0.429 121.772 121.223 0.200 0.000 2.275 254 L HA 0.144 4.484 4.340 -0.000 0.000 0.215 254 L C 2.883 180.051 176.870 0.497 0.000 1.119 254 L CA 0.895 55.921 54.840 0.310 0.000 0.790 254 L CB -0.394 41.718 42.059 0.089 0.000 0.919 254 L HN 0.209 nan 8.230 nan 0.000 0.443 255 M N -1.848 117.998 119.600 0.409 0.000 2.279 255 M HA -0.215 4.265 4.480 -0.000 0.000 0.264 255 M C 2.147 178.522 176.300 0.126 0.000 1.062 255 M CA 1.409 56.859 55.300 0.249 0.000 1.099 255 M CB -0.487 32.182 32.600 0.115 0.000 1.394 255 M HN 0.316 nan 8.290 nan 0.000 0.426 256 H N -0.508 118.632 119.070 0.117 0.000 2.307 256 H HA -0.054 4.502 4.556 -0.000 0.000 0.303 256 H C 2.177 177.504 175.328 -0.001 0.000 1.073 256 H CA 2.136 58.213 56.048 0.048 0.000 1.338 256 H CB -0.408 29.369 29.762 0.024 0.000 1.389 256 H HN 0.246 nan 8.280 nan 0.000 0.503 257 T N 0.202 114.815 114.554 0.098 0.000 2.699 257 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 257 T C 0.771 175.234 174.700 -0.394 0.000 1.036 257 T CA 1.368 63.347 62.100 -0.202 0.000 1.147 257 T CB -0.312 68.370 68.868 -0.311 0.000 0.862 257 T HN 0.177 nan 8.240 nan 0.000 0.446 258 F N 0.997 121.010 119.950 0.105 0.000 2.684 258 F HA 0.417 4.944 4.527 -0.000 0.000 0.298 258 F C 0.795 176.594 175.800 -0.003 0.000 1.120 258 F CA -0.895 57.152 58.000 0.078 0.000 1.332 258 F CB -0.660 38.446 39.000 0.176 0.000 0.986 258 F HN -0.022 nan 8.300 nan 0.000 0.524 259 N N 1.014 119.758 118.700 0.074 0.000 2.758 259 N HA -0.198 4.541 4.740 -0.000 0.000 0.248 259 N C 0.005 175.461 175.510 -0.090 0.000 1.076 259 N CA 0.474 53.528 53.050 0.007 0.000 0.696 259 N CB -0.850 37.642 38.487 0.008 0.000 0.979 259 N HN 0.349 nan 8.380 nan 0.000 0.550 260 A N -0.424 122.355 122.820 -0.068 0.000 2.540 260 A HA 0.110 4.429 4.320 -0.000 0.000 0.239 260 A C 1.079 178.646 177.584 -0.029 0.000 1.061 260 A CA 0.622 52.579 52.037 -0.134 0.000 0.758 260 A CB 0.157 19.099 19.000 -0.098 0.000 0.991 260 A HN 0.640 nan 8.150 nan 0.000 0.502 261 H N 1.147 120.191 119.070 -0.044 0.000 2.547 261 H HA 0.426 4.981 4.556 -0.000 0.000 0.272 261 H C 0.644 175.970 175.328 -0.005 0.000 0.971 261 H CA 0.530 56.566 56.048 -0.020 0.000 1.245 261 H CB 0.457 30.215 29.762 -0.008 0.000 1.440 261 H HN 0.869 nan 8.280 nan 0.000 0.540 262 A N 0.471 123.347 122.820 0.093 0.000 2.590 262 A HA 0.668 4.988 4.320 -0.000 0.000 0.296 262 A C -1.678 175.916 177.584 0.017 0.000 1.050 262 A CA -0.083 51.998 52.037 0.073 0.000 0.697 262 A CB 0.800 19.873 19.000 0.122 0.000 1.277 262 A HN 0.236 nan 8.150 nan 0.000 0.411 263 A N 0.393 123.235 122.820 0.037 0.000 2.572 263 A HA 0.973 5.293 4.320 -0.000 0.000 0.295 263 A C -0.398 177.217 177.584 0.052 0.000 1.072 263 A CA 0.113 52.162 52.037 0.020 0.000 0.691 263 A CB 1.583 20.587 19.000 0.007 0.000 1.291 263 A HN 1.856 nan 8.150 nan 0.000 0.404 264 T N -0.121 114.460 114.554 0.046 0.000 2.831 264 T HA 0.649 4.999 4.350 -0.000 0.000 0.287 264 T C -1.778 172.925 174.700 0.005 0.000 1.070 264 T CA -0.272 61.854 62.100 0.044 0.000 1.010 264 T CB 1.340 70.262 68.868 0.090 0.000 1.264 264 T HN 0.883 nan 8.240 nan 0.000 0.532 265 D N 1.188 121.553 120.400 -0.057 0.000 2.350 265 D HA 0.341 4.981 4.640 -0.000 0.000 0.238 265 D C -0.624 175.538 176.300 -0.229 0.000 0.989 265 D CA -0.657 53.286 54.000 -0.094 0.000 0.921 265 D CB 0.987 41.738 40.800 -0.082 0.000 1.297 265 D HN 0.303 nan 8.370 nan 0.000 0.490 266 I N 2.043 122.523 120.570 -0.151 0.000 2.310 266 I HA 0.155 4.325 4.170 -0.000 0.000 0.287 266 I C 0.995 177.018 176.117 -0.158 0.000 1.073 266 I CA -0.282 60.935 61.300 -0.138 0.000 1.216 266 I CB -0.157 37.859 38.000 0.027 0.000 1.415 266 I HN 0.561 nan 8.210 nan 0.000 0.480 267 T N 1.634 115.981 114.554 -0.344 0.000 2.121 267 T HA 0.347 4.697 4.350 -0.000 0.000 0.197 267 T C 1.534 176.310 174.700 0.126 0.000 0.822 267 T CA 0.340 62.358 62.100 -0.138 0.000 1.195 267 T CB -0.074 68.659 68.868 -0.225 0.000 3.009 267 T HN 0.386 nan 8.240 nan 0.000 0.449 268 G N 0.101 108.954 108.800 0.088 0.000 2.448 268 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.219 268 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.219 268 G C 0.832 175.822 174.900 0.150 0.000 1.127 268 G CA 0.280 45.402 45.100 0.037 0.000 0.766 268 G HN 0.462 nan 8.290 nan 0.000 0.552 269 F N 1.414 121.449 119.950 0.142 0.000 2.811 269 F HA 0.364 4.891 4.527 -0.000 0.000 0.301 269 F C 1.704 177.436 175.800 -0.114 0.000 1.151 269 F CA -0.261 57.621 58.000 -0.197 0.000 1.412 269 F CB -0.529 38.116 39.000 -0.593 0.000 1.113 269 F HN 0.310 nan 8.300 nan 0.000 0.579 270 G N 0.733 109.684 108.800 0.252 0.000 2.758 270 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.686 270 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.686 270 G C 0.654 175.690 174.900 0.226 0.000 1.389 270 G CA -0.288 44.934 45.100 0.205 0.000 0.845 270 G HN 0.222 nan 8.290 nan 0.000 0.572 271 I N 0.306 120.972 120.570 0.160 0.000 2.248 271 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 271 I C 2.379 178.580 176.117 0.139 0.000 1.107 271 I CA 2.830 64.216 61.300 0.143 0.000 1.373 271 I CB -0.229 37.819 38.000 0.079 0.000 1.055 271 I HN 0.753 nan 8.210 nan 0.000 0.418 272 L N 0.306 121.590 121.223 0.101 0.000 2.095 272 L HA 0.197 4.537 4.340 -0.000 0.000 0.204 272 L C 2.347 179.248 176.870 0.052 0.000 1.080 272 L CA 1.853 56.739 54.840 0.076 0.000 0.759 272 L CB -1.334 40.756 42.059 0.053 0.000 0.914 272 L HN 0.250 nan 8.230 nan 0.000 0.439 273 G N -1.413 107.391 108.800 0.006 0.000 2.418 273 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 273 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 273 G C 1.456 176.321 174.900 -0.058 0.000 1.158 273 G CA 0.945 45.991 45.100 -0.091 0.000 0.771 273 G HN 0.539 nan 8.290 nan 0.000 0.545 274 H N 0.616 119.789 119.070 0.171 0.000 2.436 274 H HA 0.139 4.695 4.556 -0.000 0.000 0.294 274 H C 2.938 178.355 175.328 0.147 0.000 1.048 274 H CA 0.927 57.071 56.048 0.159 0.000 1.353 274 H CB -0.372 29.467 29.762 0.129 0.000 1.414 274 H HN 0.386 nan 8.280 nan 0.000 0.536 275 A N 1.495 124.465 122.820 0.251 0.000 1.883 275 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 275 A C 2.390 180.112 177.584 0.230 0.000 1.186 275 A CA 1.783 53.984 52.037 0.273 0.000 0.624 275 A CB -0.616 18.527 19.000 0.239 0.000 0.822 275 A HN 0.436 nan 8.150 nan 0.000 0.444 276 Q N -0.979 118.886 119.800 0.109 0.000 2.096 276 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 276 Q C 2.120 178.132 176.000 0.020 0.000 0.982 276 Q CA 1.641 57.452 55.803 0.014 0.000 0.850 276 Q CB -0.309 28.417 28.738 -0.020 0.000 0.901 276 Q HN 0.749 nan 8.270 nan 0.000 0.422 277 N N 0.443 119.191 118.700 0.079 0.000 2.166 277 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 277 N C 1.507 177.086 175.510 0.114 0.000 1.019 277 N CA 0.633 53.741 53.050 0.097 0.000 0.856 277 N CB -0.082 38.505 38.487 0.167 0.000 0.993 277 N HN 0.145 nan 8.380 nan 0.000 0.426 278 L N 0.489 121.820 121.223 0.180 0.000 2.027 278 L HA 0.122 4.462 4.340 -0.000 0.000 0.206 278 L C 2.132 179.096 176.870 0.156 0.000 1.074 278 L CA 1.907 56.884 54.840 0.229 0.000 0.745 278 L CB -1.254 41.019 42.059 0.356 0.000 0.898 278 L HN 0.191 nan 8.230 nan 0.000 0.433 279 A N 0.466 123.272 122.820 -0.024 0.000 1.927 279 A HA -0.322 3.998 4.320 -0.000 0.000 0.220 279 A C 2.153 179.586 177.584 -0.252 0.000 1.185 279 A CA 2.516 54.226 52.037 -0.545 0.000 0.639 279 A CB -0.751 17.755 19.000 -0.823 0.000 0.820 279 A HN 0.672 nan 8.150 nan 0.000 0.451 280 K N -0.623 119.706 120.400 -0.118 0.000 2.283 280 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 280 K C 1.691 178.273 176.600 -0.030 0.000 1.048 280 K CA 1.649 57.893 56.287 -0.072 0.000 0.948 280 K CB -0.265 32.208 32.500 -0.045 0.000 0.742 280 K HN 0.363 nan 8.250 nan 0.000 0.458 281 Q N 0.793 120.596 119.800 0.004 0.000 2.472 281 Q HA 0.050 4.390 4.340 -0.000 0.000 0.208 281 Q C -0.119 175.903 176.000 0.036 0.000 0.958 281 Q CA 0.445 56.267 55.803 0.032 0.000 0.932 281 Q CB 0.135 28.910 28.738 0.063 0.000 1.007 281 Q HN 0.325 nan 8.270 nan 0.000 0.508 282 Q N -0.343 119.472 119.800 0.025 0.000 2.313 282 Q HA 0.137 4.477 4.340 -0.000 0.000 0.266 282 Q C 1.072 177.084 176.000 0.020 0.000 0.989 282 Q CA 0.784 56.613 55.803 0.044 0.000 0.890 282 Q CB 0.719 29.492 28.738 0.059 0.000 1.200 282 Q HN 0.395 nan 8.270 nan 0.000 0.396 283 R N 3.470 123.985 120.500 0.025 0.000 2.092 283 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 283 R C 0.795 177.099 176.300 0.006 0.000 1.119 283 R CA 1.322 57.430 56.100 0.013 0.000 0.970 283 R CB -0.738 29.569 30.300 0.011 0.000 0.864 283 R HN 0.610 nan 8.270 nan 0.000 0.440 284 N N 1.468 120.175 118.700 0.011 0.000 2.467 284 N HA 0.060 4.800 4.740 -0.000 0.000 0.262 284 N C -0.751 174.762 175.510 0.005 0.000 1.234 284 N CA -0.224 52.831 53.050 0.010 0.000 0.952 284 N CB 0.898 39.394 38.487 0.016 0.000 1.158 284 N HN 0.505 nan 8.380 nan 0.000 0.463 285 E N 0.933 121.134 120.200 0.002 0.000 1.802 285 E HA 0.144 4.493 4.350 -0.000 0.000 0.265 285 E C -0.125 176.474 176.600 -0.001 0.000 1.168 285 E CA -0.294 56.102 56.400 -0.008 0.000 1.033 285 E CB 0.063 29.759 29.700 -0.007 0.000 1.095 285 E HN 0.311 nan 8.360 nan 0.000 0.436 286 V N -1.244 118.665 119.914 -0.008 0.000 3.046 286 V HA 0.747 4.867 4.120 -0.000 0.000 0.316 286 V C -0.150 175.898 176.094 -0.076 0.000 1.104 286 V CA -0.747 61.562 62.300 0.015 0.000 1.006 286 V CB 2.312 34.199 31.823 0.106 0.000 1.058 286 V HN 0.235 nan 8.190 nan 0.000 0.440 287 S N 1.208 116.888 115.700 -0.034 0.000 2.627 287 S HA 0.886 5.356 4.470 -0.000 0.000 0.283 287 S C -1.426 173.240 174.600 0.110 0.000 1.127 287 S CA -0.323 57.793 58.200 -0.140 0.000 0.863 287 S CB 1.613 64.772 63.200 -0.068 0.000 1.121 287 S HN 0.645 nan 8.310 nan 0.000 0.479 288 F N 1.124 121.085 119.950 0.019 0.000 2.469 288 F HA 0.636 5.163 4.527 -0.000 0.000 0.332 288 F C -0.151 175.651 175.800 0.004 0.000 1.103 288 F CA -1.602 56.411 58.000 0.022 0.000 0.979 288 F CB 1.023 40.039 39.000 0.026 0.000 1.137 288 F HN 0.118 nan 8.300 nan 0.000 0.463 289 V N 4.762 124.794 119.914 0.197 0.000 2.444 289 V HA 0.424 4.543 4.120 -0.000 0.000 0.294 289 V C -0.029 176.059 176.094 -0.009 0.000 1.022 289 V CA -0.702 61.617 62.300 0.031 0.000 0.850 289 V CB 1.746 33.536 31.823 -0.056 0.000 0.992 289 V HN 0.549 nan 8.190 nan 0.000 0.426 290 I N 4.072 124.613 120.570 -0.049 0.000 2.315 290 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 290 I C 0.704 176.751 176.117 -0.117 0.000 1.006 290 I CA -0.189 61.101 61.300 -0.017 0.000 1.265 290 I CB 1.148 39.161 38.000 0.021 0.000 1.387 290 I HN 0.702 nan 8.210 nan 0.000 0.475 291 H N 3.524 122.605 119.070 0.019 0.000 2.604 291 H HA 0.145 4.700 4.556 -0.000 0.000 0.273 291 H C -0.165 175.162 175.328 -0.002 0.000 0.971 291 H CA 0.120 56.175 56.048 0.012 0.000 1.249 291 H CB 0.382 30.152 29.762 0.015 0.000 1.449 291 H HN 0.708 nan 8.280 nan 0.000 0.512 292 N N -0.501 118.259 118.700 0.100 0.000 2.732 292 N HA 0.376 5.115 4.740 -0.000 0.000 0.259 292 N C -1.823 173.671 175.510 -0.026 0.000 1.402 292 N CA -0.864 52.201 53.050 0.025 0.000 0.829 292 N CB 1.782 40.284 38.487 0.024 0.000 1.495 292 N HN -0.090 nan 8.380 nan 0.000 0.511 293 L N -0.468 120.705 121.223 -0.083 0.000 2.404 293 L HA 0.570 4.909 4.340 -0.000 0.000 0.272 293 L C -2.656 174.062 176.870 -0.253 0.000 0.980 293 L CA -1.899 52.859 54.840 -0.136 0.000 0.836 293 L CB 2.341 44.337 42.059 -0.105 0.000 1.238 293 L HN 0.468 nan 8.230 nan 0.000 0.408 294 P HA 0.199 nan 4.420 nan 0.000 0.276 294 P C -0.946 176.069 177.300 -0.475 0.000 1.235 294 P CA -0.183 62.477 63.100 -0.733 0.000 0.772 294 P CB 1.270 31.994 31.700 -1.626 0.000 0.871 295 V N 4.643 124.346 119.914 -0.351 0.000 2.623 295 V HA 0.134 4.254 4.120 -0.000 0.000 0.304 295 V C -0.024 175.970 176.094 -0.167 0.000 1.054 295 V CA -1.114 61.055 62.300 -0.218 0.000 0.882 295 V CB 1.880 33.609 31.823 -0.157 0.000 1.002 295 V HN 0.314 nan 8.190 nan 0.000 0.424 296 L N 4.019 125.167 121.223 -0.125 0.000 2.720 296 L HA 0.067 4.406 4.340 -0.000 0.000 0.289 296 L C 1.202 178.034 176.870 -0.063 0.000 1.232 296 L CA 0.988 55.784 54.840 -0.072 0.000 0.915 296 L CB -0.416 41.609 42.059 -0.057 0.000 1.184 296 L HN 0.951 nan 8.230 nan 0.000 0.491 297 A N 3.697 126.495 122.820 -0.037 0.000 2.561 297 A HA 0.297 4.617 4.320 -0.000 0.000 0.234 297 A C 1.239 178.807 177.584 -0.027 0.000 1.055 297 A CA 0.551 52.572 52.037 -0.028 0.000 0.756 297 A CB -0.024 18.973 19.000 -0.004 0.000 0.986 297 A HN 0.822 nan 8.150 nan 0.000 0.505 298 K N -0.069 120.312 120.400 -0.031 0.000 3.610 298 K HA -0.189 4.130 4.320 -0.000 0.000 0.283 298 K C 1.208 177.775 176.600 -0.055 0.000 1.210 298 K CA 1.900 58.170 56.287 -0.029 0.000 1.026 298 K CB -2.234 30.263 32.500 -0.005 0.000 1.295 298 K HN 0.786 nan 8.250 nan 0.000 0.468 299 M N -0.578 118.975 119.600 -0.078 0.000 2.288 299 M HA 0.222 4.702 4.480 -0.000 0.000 0.266 299 M C 2.603 178.825 176.300 -0.130 0.000 1.072 299 M CA 1.852 57.077 55.300 -0.126 0.000 1.132 299 M CB -1.298 31.217 32.600 -0.141 0.000 1.386 299 M HN 0.476 nan 8.290 nan 0.000 0.432 300 A N 0.760 123.522 122.820 -0.096 0.000 1.858 300 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 300 A C 2.457 180.005 177.584 -0.061 0.000 1.190 300 A CA 2.272 54.261 52.037 -0.081 0.000 0.617 300 A CB -1.007 17.948 19.000 -0.075 0.000 0.827 300 A HN 0.445 nan 8.150 nan 0.000 0.443 301 A N -0.601 122.188 122.820 -0.052 0.000 1.940 301 A HA -0.025 4.294 4.320 -0.000 0.000 0.219 301 A C 2.245 179.811 177.584 -0.029 0.000 1.176 301 A CA 1.945 53.962 52.037 -0.034 0.000 0.631 301 A CB -0.969 18.014 19.000 -0.029 0.000 0.814 301 A HN 0.424 nan 8.150 nan 0.000 0.446 302 V N -0.520 119.360 119.914 -0.057 0.000 2.261 302 V HA -0.219 3.900 4.120 -0.000 0.000 0.246 302 V C 2.803 178.874 176.094 -0.038 0.000 1.047 302 V CA 2.317 64.582 62.300 -0.059 0.000 1.015 302 V CB -1.003 30.740 31.823 -0.133 0.000 0.642 302 V HN 0.677 nan 8.190 nan 0.000 0.446 303 S N 0.274 115.911 115.700 -0.105 0.000 2.353 303 S HA -0.285 4.185 4.470 -0.000 0.000 0.222 303 S C 2.311 176.979 174.600 0.115 0.000 1.035 303 S CA 2.559 60.762 58.200 0.006 0.000 1.025 303 S CB -0.453 62.734 63.200 -0.021 0.000 0.902 303 S HN 0.639 nan 8.310 nan 0.000 0.440 304 K N 0.882 121.310 120.400 0.048 0.000 2.113 304 K HA 0.126 4.446 4.320 -0.000 0.000 0.208 304 K C 2.332 178.972 176.600 0.067 0.000 1.047 304 K CA 1.889 58.207 56.287 0.051 0.000 0.928 304 K CB -1.704 30.803 32.500 0.011 0.000 0.716 304 K HN 0.735 nan 8.250 nan 0.000 0.446 305 A N -0.185 122.672 122.820 0.061 0.000 2.070 305 A HA 0.014 4.334 4.320 -0.000 0.000 0.220 305 A C 1.963 179.613 177.584 0.109 0.000 1.159 305 A CA 1.373 53.449 52.037 0.065 0.000 0.656 305 A CB -0.635 18.390 19.000 0.043 0.000 0.800 305 A HN 0.687 nan 8.150 nan 0.000 0.453 306 C N -0.704 118.708 119.300 0.187 0.000 2.470 306 C HA 0.555 5.015 4.460 -0.000 0.000 0.311 306 C C 1.773 176.874 174.990 0.184 0.000 1.387 306 C CA -0.702 58.460 59.018 0.239 0.000 1.783 306 C CB -1.609 26.421 27.740 0.484 0.000 2.416 306 C HN 0.975 nan 8.230 nan 0.000 0.558 307 G N 2.230 111.108 108.800 0.130 0.000 2.622 307 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.307 307 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.307 307 G C 0.700 175.672 174.900 0.121 0.000 1.226 307 G CA 0.815 45.976 45.100 0.100 0.000 0.997 307 G HN 0.811 nan 8.290 nan 0.000 0.551 308 N N -0.019 118.730 118.700 0.082 0.000 2.295 308 N HA 0.519 5.259 4.740 -0.000 0.000 0.221 308 N C 1.811 177.346 175.510 0.042 0.000 1.129 308 N CA 1.312 54.404 53.050 0.070 0.000 0.836 308 N CB 0.054 38.558 38.487 0.028 0.000 1.040 308 N HN 0.840 nan 8.380 nan 0.000 0.494 309 M N -1.357 118.269 119.600 0.043 0.000 2.123 309 M HA 0.139 4.619 4.480 -0.000 0.000 0.263 309 M C 0.825 176.963 176.300 -0.270 0.000 1.069 309 M CA 2.012 57.234 55.300 -0.130 0.000 1.133 309 M CB -0.052 32.449 32.600 -0.165 0.000 1.356 309 M HN 0.411 nan 8.290 nan 0.000 0.415 310 F N -0.393 119.612 119.950 0.091 0.000 2.399 310 F HA 0.380 4.906 4.527 -0.000 0.000 0.282 310 F C 1.740 177.585 175.800 0.074 0.000 1.027 310 F CA 0.783 58.825 58.000 0.070 0.000 1.333 310 F CB -0.574 38.454 39.000 0.046 0.000 1.132 310 F HN 0.316 nan 8.300 nan 0.000 0.590 311 G N 1.082 110.059 108.800 0.294 0.000 2.160 311 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 311 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 311 G C 0.920 175.934 174.900 0.190 0.000 1.022 311 G CA 0.408 45.659 45.100 0.251 0.000 0.741 311 G HN 0.344 nan 8.290 nan 0.000 0.508 312 L N -0.495 120.819 121.223 0.151 0.000 2.187 312 L HA 0.044 4.384 4.340 -0.000 0.000 0.213 312 L C 2.585 179.451 176.870 -0.007 0.000 1.100 312 L CA 3.095 57.971 54.840 0.061 0.000 0.765 312 L CB -0.283 41.776 42.059 -0.000 0.000 0.904 312 L HN 0.485 nan 8.230 nan 0.000 0.437 313 M N -2.215 117.348 119.600 -0.062 0.000 2.419 313 M HA -0.025 4.455 4.480 -0.000 0.000 0.264 313 M C 1.690 177.810 176.300 -0.300 0.000 1.082 313 M CA 1.287 56.456 55.300 -0.218 0.000 1.119 313 M CB -0.682 31.716 32.600 -0.337 0.000 1.398 313 M HN 0.141 nan 8.290 nan 0.000 0.453 314 H N -0.626 118.456 119.070 0.021 0.000 2.586 314 H HA 0.444 4.999 4.556 -0.000 0.000 0.273 314 H C 1.375 176.712 175.328 0.016 0.000 0.997 314 H CA 0.716 56.773 56.048 0.015 0.000 1.177 314 H CB 0.337 30.108 29.762 0.016 0.000 1.471 314 H HN 0.496 nan 8.280 nan 0.000 0.538 315 G N 1.302 110.161 108.800 0.098 0.000 2.157 315 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.248 315 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.248 315 G C 1.231 176.185 174.900 0.090 0.000 0.979 315 G CA 0.884 46.030 45.100 0.077 0.000 0.650 315 G HN 0.513 nan 8.290 nan 0.000 0.529 316 T N -3.362 111.257 114.554 0.108 0.000 3.054 316 T HA 0.413 4.762 4.350 -0.000 0.000 0.255 316 T C 1.267 176.031 174.700 0.107 0.000 1.035 316 T CA 0.563 62.716 62.100 0.089 0.000 0.941 316 T CB 0.315 69.223 68.868 0.066 0.000 1.026 316 T HN 0.920 nan 8.240 nan 0.000 0.533 317 C N 4.045 123.422 119.300 0.128 0.000 2.593 317 C HA 0.489 4.948 4.460 -0.000 0.000 0.409 317 C C -2.265 172.810 174.990 0.142 0.000 1.304 317 C CA -2.125 56.984 59.018 0.151 0.000 2.007 317 C CB 0.075 27.925 27.740 0.184 0.000 2.614 317 C HN 0.309 nan 8.230 nan 0.000 0.585 318 P HA 0.121 nan 4.420 nan 0.000 0.264 318 P C -0.572 176.792 177.300 0.107 0.000 1.183 318 P CA 0.717 63.897 63.100 0.134 0.000 0.763 318 P CB 0.369 32.140 31.700 0.118 0.000 0.807 319 E N 1.322 121.581 120.200 0.098 0.000 2.222 319 E HA 0.436 4.785 4.350 -0.000 0.000 0.267 319 E C -0.353 176.259 176.600 0.020 0.000 0.963 319 E CA -0.397 56.033 56.400 0.050 0.000 0.837 319 E CB 1.245 30.970 29.700 0.041 0.000 1.183 319 E HN 0.256 nan 8.360 nan 0.000 0.403 320 T N 0.520 115.069 114.554 -0.008 0.000 2.812 320 T HA 0.164 4.514 4.350 -0.000 0.000 0.282 320 T C 0.176 174.846 174.700 -0.050 0.000 0.990 320 T CA -0.530 61.550 62.100 -0.034 0.000 0.960 320 T CB 0.939 69.790 68.868 -0.030 0.000 0.948 320 T HN 0.497 nan 8.240 nan 0.000 0.438 321 S N 1.965 117.625 115.700 -0.067 0.000 3.628 321 S HA -0.137 4.333 4.470 -0.000 0.000 0.373 321 S C 0.948 175.517 174.600 -0.052 0.000 0.968 321 S CA 0.454 58.614 58.200 -0.067 0.000 1.215 321 S CB -1.273 61.884 63.200 -0.072 0.000 0.912 321 S HN 1.140 nan 8.310 nan 0.000 0.495 322 G N 0.608 109.379 108.800 -0.048 0.000 2.489 322 G HA2 0.629 4.589 3.960 -0.000 0.000 0.271 322 G HA3 0.629 4.589 3.960 -0.000 0.000 0.271 322 G C 0.607 175.500 174.900 -0.011 0.000 1.427 322 G CA -0.104 44.981 45.100 -0.025 0.000 1.057 322 G HN 0.963 nan 8.290 nan 0.000 0.532 323 G N -1.853 106.957 108.800 0.017 0.000 2.535 323 G HA2 0.505 4.465 3.960 -0.000 0.000 0.303 323 G HA3 0.505 4.465 3.960 -0.000 0.000 0.303 323 G C -0.353 174.571 174.900 0.041 0.000 1.237 323 G CA -0.947 44.179 45.100 0.043 0.000 0.986 323 G HN 0.544 nan 8.290 nan 0.000 0.494 324 L N -0.061 121.200 121.223 0.064 0.000 2.349 324 L HA 0.311 4.650 4.340 -0.000 0.000 0.275 324 L C -0.263 176.627 176.870 0.034 0.000 1.115 324 L CA -0.616 54.255 54.840 0.051 0.000 0.820 324 L CB 1.254 43.358 42.059 0.075 0.000 1.135 324 L HN 0.239 nan 8.230 nan 0.000 0.445 325 L N 5.586 126.815 121.223 0.010 0.000 2.265 325 L HA 0.535 4.875 4.340 -0.000 0.000 0.289 325 L C -0.533 176.293 176.870 -0.073 0.000 1.033 325 L CA 0.246 55.075 54.840 -0.019 0.000 0.814 325 L CB 0.653 42.718 42.059 0.009 0.000 1.203 325 L HN 0.359 nan 8.230 nan 0.000 0.423 326 I N 4.392 124.875 120.570 -0.145 0.000 2.465 326 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 326 I C -0.639 175.324 176.117 -0.256 0.000 1.014 326 I CA -0.605 60.572 61.300 -0.206 0.000 1.093 326 I CB 1.746 39.547 38.000 -0.331 0.000 1.267 326 I HN 0.482 nan 8.210 nan 0.000 0.431 327 C N 7.145 126.312 119.300 -0.222 0.000 2.322 327 C HA 0.517 4.976 4.460 -0.000 0.000 0.343 327 C C 0.310 175.163 174.990 -0.229 0.000 1.190 327 C CA -0.363 58.525 59.018 -0.217 0.000 1.704 327 C CB -1.147 26.518 27.740 -0.125 0.000 2.293 327 C HN 0.527 nan 8.230 nan 0.000 0.523 328 L N 5.496 126.559 121.223 -0.267 0.000 2.333 328 L HA 0.493 4.833 4.340 -0.000 0.000 0.269 328 L C -2.233 174.471 176.870 -0.277 0.000 1.010 328 L CA -1.948 52.700 54.840 -0.320 0.000 0.818 328 L CB 1.946 43.822 42.059 -0.305 0.000 1.306 328 L HN 0.274 nan 8.230 nan 0.000 0.430 329 P HA 0.011 nan 4.420 nan 0.000 0.265 329 P C 0.479 177.734 177.300 -0.074 0.000 1.193 329 P CA 0.192 63.201 63.100 -0.151 0.000 0.765 329 P CB 0.576 32.211 31.700 -0.108 0.000 0.823 330 R N 3.197 123.679 120.500 -0.031 0.000 2.153 330 R HA -0.236 4.104 4.340 -0.000 0.000 0.252 330 R C 2.079 178.370 176.300 -0.015 0.000 1.158 330 R CA 2.751 58.838 56.100 -0.022 0.000 0.975 330 R CB -2.243 28.056 30.300 -0.002 0.000 0.871 330 R HN 0.660 nan 8.270 nan 0.000 0.450 331 E N 0.428 120.629 120.200 0.002 0.000 2.435 331 E HA -0.011 4.339 4.350 -0.000 0.000 0.195 331 E C 1.882 178.505 176.600 0.039 0.000 1.029 331 E CA 0.714 57.125 56.400 0.018 0.000 0.865 331 E CB 0.060 29.777 29.700 0.029 0.000 0.833 331 E HN 0.746 nan 8.360 nan 0.000 0.510 332 Q N -1.196 118.627 119.800 0.039 0.000 2.319 332 Q HA 0.376 4.716 4.340 -0.000 0.000 0.209 332 Q C 2.305 178.310 176.000 0.009 0.000 0.884 332 Q CA 0.776 56.645 55.803 0.110 0.000 0.938 332 Q CB 0.764 29.593 28.738 0.152 0.000 1.098 332 Q HN 0.532 nan 8.270 nan 0.000 0.517 333 A N 1.454 124.247 122.820 -0.044 0.000 1.855 333 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 333 A C 2.277 179.824 177.584 -0.061 0.000 1.191 333 A CA 1.861 53.849 52.037 -0.083 0.000 0.613 333 A CB -0.574 18.377 19.000 -0.081 0.000 0.829 333 A HN 0.327 nan 8.150 nan 0.000 0.442 334 A N -0.654 122.130 122.820 -0.059 0.000 1.930 334 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 334 A C 2.468 179.973 177.584 -0.132 0.000 1.175 334 A CA 2.365 54.359 52.037 -0.071 0.000 0.627 334 A CB -0.905 18.067 19.000 -0.046 0.000 0.815 334 A HN 0.705 nan 8.150 nan 0.000 0.443 335 R N -0.834 119.569 120.500 -0.163 0.000 2.081 335 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 335 R C 2.093 177.922 176.300 -0.784 0.000 1.131 335 R CA 1.862 57.784 56.100 -0.296 0.000 0.960 335 R CB -1.787 28.495 30.300 -0.030 0.000 0.856 335 R HN 0.717 nan 8.270 nan 0.000 0.436 336 F N 0.793 120.070 119.950 -1.122 0.000 2.069 336 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 336 F C 2.573 178.071 175.800 -0.503 0.000 1.113 336 F CA 1.854 59.243 58.000 -1.017 0.000 1.214 336 F CB -0.566 38.091 39.000 -0.571 0.000 0.978 336 F HN 0.270 nan 8.300 nan 0.000 0.474 337 C N 0.773 120.019 119.300 -0.090 0.000 2.413 337 C HA -0.155 4.305 4.460 -0.000 0.000 0.276 337 C C 3.153 177.986 174.990 -0.262 0.000 1.236 337 C CA 1.156 60.091 59.018 -0.138 0.000 1.735 337 C CB -1.883 25.812 27.740 -0.075 0.000 2.031 337 C HN 0.699 nan 8.230 nan 0.000 0.474 338 A N 0.586 123.264 122.820 -0.237 0.000 1.884 338 A HA -0.297 4.022 4.320 -0.000 0.000 0.219 338 A C 2.001 179.449 177.584 -0.226 0.000 1.197 338 A CA 2.511 54.427 52.037 -0.201 0.000 0.637 338 A CB -0.792 18.114 19.000 -0.156 0.000 0.827 338 A HN 0.619 nan 8.150 nan 0.000 0.450 339 E N -0.356 119.668 120.200 -0.294 0.000 2.051 339 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 339 E C 1.802 178.230 176.600 -0.287 0.000 0.991 339 E CA 1.418 57.670 56.400 -0.246 0.000 0.799 339 E CB -0.319 29.241 29.700 -0.233 0.000 0.748 339 E HN 0.609 nan 8.360 nan 0.000 0.449 340 I N 0.074 120.381 120.570 -0.439 0.000 2.252 340 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 340 I C 2.334 178.293 176.117 -0.262 0.000 1.102 340 I CA 1.327 62.389 61.300 -0.396 0.000 1.385 340 I CB -0.115 37.548 38.000 -0.563 0.000 1.064 340 I HN 0.092 nan 8.210 nan 0.000 0.414 341 K N -0.158 120.086 120.400 -0.260 0.000 2.062 341 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 341 K C 0.967 177.451 176.600 -0.193 0.000 1.051 341 K CA 1.218 57.370 56.287 -0.224 0.000 0.941 341 K CB 0.076 32.437 32.500 -0.231 0.000 0.719 341 K HN 0.194 nan 8.250 nan 0.000 0.440 342 S N 2.172 117.770 115.700 -0.171 0.000 2.328 342 S HA 0.373 4.842 4.470 -0.000 0.000 0.204 342 S C -2.605 171.923 174.600 -0.119 0.000 1.475 342 S CA -1.784 56.335 58.200 -0.135 0.000 1.148 342 S CB 0.898 64.031 63.200 -0.111 0.000 1.077 342 S HN 0.128 nan 8.310 nan 0.000 0.479 348 G N -0.625 107.995 108.800 -0.300 0.000 2.887 348 G HA2 0.583 4.543 3.960 -0.000 0.000 0.277 348 G HA3 0.583 4.543 3.960 -0.000 0.000 0.277 348 G C -1.029 173.524 174.900 -0.578 0.000 1.346 348 G CA -0.586 44.291 45.100 -0.372 0.000 1.058 348 G HN 0.137 nan 8.290 nan 0.000 0.535 349 H N 0.117 119.104 119.070 -0.137 0.000 2.589 349 H HA 0.289 4.845 4.556 -0.000 0.000 0.351 349 H C -0.466 174.720 175.328 -0.238 0.000 1.074 349 H CA -0.512 55.450 56.048 -0.144 0.000 1.203 349 H CB 2.047 31.755 29.762 -0.091 0.000 1.558 349 H HN 0.447 nan 8.280 nan 0.000 0.522 350 Q N 1.423 121.085 119.800 -0.229 0.000 2.386 350 Q HA 0.332 4.671 4.340 -0.000 0.000 0.282 350 Q C -0.714 174.850 176.000 -0.726 0.000 1.050 350 Q CA -0.115 55.400 55.803 -0.480 0.000 0.918 350 Q CB 0.740 29.127 28.738 -0.584 0.000 1.266 350 Q HN 0.770 nan 8.270 nan 0.000 0.423 351 A N 3.999 126.432 122.820 -0.645 0.000 2.350 351 A HA 0.736 5.056 4.320 -0.000 0.000 0.318 351 A C -1.469 175.761 177.584 -0.591 0.000 1.132 351 A CA -0.681 51.080 52.037 -0.460 0.000 0.811 351 A CB 1.099 20.095 19.000 -0.008 0.000 1.313 351 A HN 0.779 nan 8.150 nan 0.000 0.454 352 W N 0.381 121.704 121.300 0.040 0.000 2.819 352 W HA 0.469 5.129 4.660 -0.000 0.000 0.337 352 W C -1.087 175.431 176.519 -0.002 0.000 1.077 352 W CA -0.572 56.782 57.345 0.015 0.000 1.226 352 W CB 1.685 31.151 29.460 0.010 0.000 1.419 352 W HN 0.434 nan 8.180 nan 0.000 0.502 353 I N 4.214 124.903 120.570 0.198 0.000 2.337 353 I HA 0.052 4.222 4.170 -0.000 0.000 0.291 353 I C 1.364 177.550 176.117 0.115 0.000 1.046 353 I CA 0.127 61.487 61.300 0.100 0.000 1.324 353 I CB 0.715 38.737 38.000 0.038 0.000 1.409 353 I HN 0.402 nan 8.210 nan 0.000 0.494 354 I N 2.778 123.402 120.570 0.090 0.000 4.070 354 I HA 0.596 4.766 4.170 -0.000 0.000 0.328 354 I C 0.739 176.922 176.117 0.110 0.000 1.298 354 I CA -0.047 61.306 61.300 0.088 0.000 1.173 354 I CB 0.408 38.445 38.000 0.062 0.000 1.051 354 I HN 0.556 nan 8.210 nan 0.000 0.409 355 G N 1.111 109.969 108.800 0.096 0.000 2.427 355 G HA2 0.543 4.503 3.960 -0.000 0.000 0.306 355 G HA3 0.543 4.503 3.960 -0.000 0.000 0.306 355 G C -2.165 172.795 174.900 0.100 0.000 1.280 355 G CA -0.430 44.776 45.100 0.176 0.000 0.837 355 G HN 0.048 nan 8.290 nan 0.000 0.482 356 I N -0.261 120.394 120.570 0.141 0.000 2.865 356 I HA 0.716 4.886 4.170 -0.000 0.000 0.302 356 I C -0.390 175.796 176.117 0.115 0.000 1.140 356 I CA -1.118 60.240 61.300 0.097 0.000 1.021 356 I CB 2.318 40.398 38.000 0.133 0.000 1.233 356 I HN 0.874 nan 8.210 nan 0.000 0.427 357 V N 4.015 123.991 119.914 0.102 0.000 2.532 357 V HA 0.714 4.834 4.120 -0.000 0.000 0.295 357 V C -0.666 175.532 176.094 0.172 0.000 1.041 357 V CA 0.012 62.448 62.300 0.228 0.000 0.926 357 V CB 1.611 33.595 31.823 0.268 0.000 0.992 357 V HN 0.869 nan 8.190 nan 0.000 0.457 358 E N 2.553 122.858 120.200 0.175 0.000 2.392 358 E HA 0.385 4.735 4.350 -0.000 0.000 0.269 358 E C -1.190 175.461 176.600 0.086 0.000 0.924 358 E CA -1.150 55.317 56.400 0.111 0.000 0.784 358 E CB 2.173 31.930 29.700 0.096 0.000 1.292 358 E HN 0.818 nan 8.360 nan 0.000 0.447 359 K N 0.843 121.279 120.400 0.060 0.000 2.491 359 K HA 0.203 4.522 4.320 -0.000 0.000 0.279 359 K C -0.329 176.288 176.600 0.028 0.000 1.026 359 K CA 0.578 56.888 56.287 0.039 0.000 1.070 359 K CB 0.038 32.556 32.500 0.030 0.000 0.887 359 K HN 0.654 nan 8.250 nan 0.000 0.481 360 G N 2.289 111.096 108.800 0.011 0.000 2.490 360 G HA2 0.026 3.986 3.960 -0.000 0.000 0.308 360 G HA3 0.026 3.986 3.960 -0.000 0.000 0.308 360 G C -0.942 173.939 174.900 -0.030 0.000 1.286 360 G CA -0.637 44.458 45.100 -0.009 0.000 0.825 360 G HN 0.654 nan 8.290 nan 0.000 0.479 361 N N -0.762 117.909 118.700 -0.047 0.000 2.279 361 N HA 0.151 4.891 4.740 -0.000 0.000 0.226 361 N C 0.668 176.129 175.510 -0.081 0.000 1.126 361 N CA -0.408 52.611 53.050 -0.053 0.000 0.846 361 N CB 0.313 38.775 38.487 -0.043 0.000 1.050 361 N HN 0.731 nan 8.380 nan 0.000 0.502 362 R N -1.343 119.083 120.500 -0.124 0.000 3.527 362 R HA -0.125 4.215 4.340 -0.000 0.000 0.288 362 R C -0.756 175.420 176.300 -0.207 0.000 1.146 362 R CA 1.068 57.058 56.100 -0.182 0.000 0.778 362 R CB -2.784 27.445 30.300 -0.119 0.000 1.289 362 R HN 0.675 nan 8.270 nan 0.000 0.454 363 T N -3.112 111.317 114.554 -0.208 0.000 2.926 363 T HA 0.888 5.238 4.350 -0.000 0.000 0.289 363 T C -0.238 174.339 174.700 -0.204 0.000 1.054 363 T CA -0.303 61.692 62.100 -0.174 0.000 1.015 363 T CB 2.651 71.460 68.868 -0.099 0.000 1.167 363 T HN 0.329 nan 8.240 nan 0.000 0.526 364 A N 1.356 124.106 122.820 -0.117 0.000 2.386 364 A HA 0.907 5.227 4.320 -0.000 0.000 0.311 364 A C -0.276 177.311 177.584 0.005 0.000 1.068 364 A CA -1.224 50.797 52.037 -0.028 0.000 0.743 364 A CB 1.269 20.300 19.000 0.053 0.000 1.258 364 A HN 1.188 nan 8.150 nan 0.000 0.429 365 R N 1.422 121.938 120.500 0.027 0.000 2.740 365 R HA 0.745 5.085 4.340 -0.000 0.000 0.273 365 R C -1.811 174.489 176.300 -0.000 0.000 0.998 365 R CA -0.731 55.374 56.100 0.008 0.000 0.900 365 R CB 1.199 31.492 30.300 -0.011 0.000 1.223 365 R HN 0.488 nan 8.270 nan 0.000 0.466 366 I N 4.198 124.766 120.570 -0.004 0.000 2.353 366 I HA 0.266 4.435 4.170 -0.000 0.000 0.293 366 I C 1.205 177.292 176.117 -0.050 0.000 0.992 366 I CA -1.223 60.059 61.300 -0.030 0.000 1.268 366 I CB 1.390 39.388 38.000 -0.003 0.000 1.387 366 I HN 0.607 nan 8.210 nan 0.000 0.478 367 I N 2.090 122.595 120.570 -0.108 0.000 3.161 367 I HA -0.014 4.156 4.170 -0.000 0.000 0.284 367 I C 0.740 176.839 176.117 -0.030 0.000 1.252 367 I CA -0.155 61.094 61.300 -0.086 0.000 1.374 367 I CB 0.400 38.326 38.000 -0.122 0.000 1.359 367 I HN 0.565 nan 8.210 nan 0.000 0.606 368 D N 2.757 123.151 120.400 -0.009 0.000 2.123 368 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 368 D C 0.435 176.738 176.300 0.004 0.000 0.992 368 D CA 1.824 55.832 54.000 0.013 0.000 0.833 368 D CB -0.106 40.704 40.800 0.018 0.000 0.954 368 D HN 0.646 nan 8.370 nan 0.000 0.455 369 K N 1.574 121.972 120.400 -0.003 0.000 2.562 369 K HA 0.365 4.684 4.320 -0.000 0.000 0.206 369 K C -2.693 173.901 176.600 -0.011 0.000 1.033 369 K CA -1.568 54.713 56.287 -0.010 0.000 1.029 369 K CB 1.662 34.162 32.500 0.001 0.000 1.393 369 K HN -0.039 nan 8.250 nan 0.000 0.539 370 P HA 0.100 nan 4.420 nan 0.000 0.274 370 P C -0.681 176.610 177.300 -0.014 0.000 1.231 370 P CA -0.523 62.566 63.100 -0.018 0.000 0.790 370 P CB 0.834 32.511 31.700 -0.039 0.000 0.951 371 R N 2.414 122.917 120.500 0.005 0.000 2.267 371 R HA 0.244 4.584 4.340 -0.000 0.000 0.319 371 R C 0.023 176.302 176.300 -0.034 0.000 1.067 371 R CA -0.474 55.623 56.100 -0.006 0.000 0.936 371 R CB 0.009 30.317 30.300 0.013 0.000 1.006 371 R HN 0.366 nan 8.270 nan 0.000 0.452 372 I N 7.344 127.886 120.570 -0.047 0.000 2.379 372 I HA 0.097 4.267 4.170 -0.000 0.000 0.290 372 I C 0.404 176.476 176.117 -0.075 0.000 1.063 372 I CA -0.239 61.017 61.300 -0.073 0.000 1.351 372 I CB 0.674 38.632 38.000 -0.071 0.000 1.410 372 I HN 0.600 nan 8.210 nan 0.000 0.505 373 I N 6.297 126.797 120.570 -0.118 0.000 2.281 373 I HA 0.112 4.282 4.170 -0.000 0.000 0.293 373 I C 0.786 176.820 176.117 -0.139 0.000 1.085 373 I CA -0.464 60.767 61.300 -0.116 0.000 1.257 373 I CB 0.222 38.119 38.000 -0.173 0.000 1.430 373 I HN 0.395 nan 8.210 nan 0.000 0.489 374 E N 5.874 126.030 120.200 -0.073 0.000 2.299 374 E HA 0.146 4.496 4.350 -0.000 0.000 0.272 374 E C -0.576 176.004 176.600 -0.034 0.000 1.043 374 E CA -0.070 56.294 56.400 -0.060 0.000 0.895 374 E CB 1.762 31.443 29.700 -0.030 0.000 1.011 374 E HN 0.268 nan 8.360 nan 0.000 0.432 375 V N 2.844 122.728 119.914 -0.051 0.000 2.347 375 V HA 0.426 4.546 4.120 -0.000 0.000 0.280 375 V C 0.296 176.414 176.094 0.041 0.000 1.021 375 V CA -0.700 61.611 62.300 0.018 0.000 0.847 375 V CB 1.301 33.110 31.823 -0.023 0.000 0.990 375 V HN 0.684 nan 8.190 nan 0.000 0.444 376 A N 6.160 129.021 122.820 0.070 0.000 2.312 376 A HA 0.926 5.246 4.320 -0.000 0.000 0.328 376 A C -1.864 175.763 177.584 0.071 0.000 1.158 376 A CA -1.346 50.725 52.037 0.057 0.000 0.821 376 A CB 0.192 19.221 19.000 0.048 0.000 1.170 376 A HN 0.754 nan 8.150 nan 0.000 0.490 377 P HA 0.000 nan 4.420 nan 0.000 0.216 377 P CA 0.000 63.135 63.100 0.058 0.000 0.800 377 P CB 0.000 31.728 31.700 0.047 0.000 0.726