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 3etj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKQVCVLGNG QLGRMLRQAG EPLGIAVWPV GLDAEPAAVP FQQSVITAEI DATA SEQUENCE ERWPETALTR QLARHPAFVN RDVFPIIADR LTQKQLFDKL HLPTAPWQLL DATA SEQUENCE AERSEWPAVF DRLGELAIVK RRTGGYDGRG QWRLRANETE QLPAECYGEC DATA SEQUENCE IVEQGINFSG EVSLVGARGF DGSTVFYPLT HNLHQDGILR TSVAFPQANA DATA SEQUENCE QQQARAEEML SAIMQELGYV GVMAMECFVT PQGLLINELA PRVHNSGHWT DATA SEQUENCE QNGASISQFE LHLRAITDLP LPQPVVNNPS VMINLIGSDV NYDWLKLPLV DATA SEQUENCE HLHWYDKEVR PGRKVGHLNL TDSDTSRLTA TLEALIPLLP PEYASGVIWA DATA SEQUENCE QSKFG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.321 176.300 0.035 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.624 32.600 0.040 0.000 1.302 2 K N 2.286 122.712 120.400 0.043 0.000 2.270 2 K HA 0.365 4.686 4.320 0.001 0.000 0.276 2 K C -0.646 175.995 176.600 0.068 0.000 1.023 2 K CA 0.001 56.317 56.287 0.048 0.000 0.955 2 K CB 0.666 33.196 32.500 0.050 0.000 0.975 2 K HN 0.692 nan 8.250 nan 0.000 0.471 3 Q N 1.748 121.584 119.800 0.060 0.000 2.290 3 Q HA 0.388 4.728 4.340 0.001 0.000 0.269 3 Q C -1.690 174.343 176.000 0.055 0.000 1.016 3 Q CA -0.597 55.254 55.803 0.080 0.000 0.754 3 Q CB 1.685 30.445 28.738 0.037 0.000 1.247 3 Q HN 0.326 nan 8.270 nan 0.000 0.451 4 V N 3.257 123.242 119.914 0.118 0.000 2.588 4 V HA 0.500 4.620 4.120 0.001 0.000 0.304 4 V C -0.607 175.549 176.094 0.103 0.000 1.042 4 V CA -0.715 61.640 62.300 0.091 0.000 0.877 4 V CB 1.860 33.754 31.823 0.119 0.000 0.996 4 V HN 0.895 nan 8.190 nan 0.000 0.425 5 C N 4.465 123.768 119.300 0.004 0.000 2.382 5 C HA 0.763 5.223 4.460 0.001 0.000 0.327 5 C C 0.110 175.076 174.990 -0.040 0.000 1.250 5 C CA -0.676 58.335 59.018 -0.012 0.000 1.707 5 C CB 1.276 28.945 27.740 -0.118 0.000 2.272 5 C HN 0.648 nan 8.230 nan 0.000 0.506 6 V N 4.432 124.332 119.914 -0.024 0.000 2.417 6 V HA 0.353 4.474 4.120 0.001 0.000 0.291 6 V C -0.040 175.937 176.094 -0.195 0.000 1.024 6 V CA -0.516 61.733 62.300 -0.085 0.000 0.861 6 V CB 1.605 33.422 31.823 -0.010 0.000 0.985 6 V HN 0.793 nan 8.190 nan 0.000 0.436 7 L N 5.499 126.507 121.223 -0.358 0.000 2.456 7 L HA 0.651 4.991 4.340 0.001 0.000 0.277 7 L C 0.545 177.237 176.870 -0.296 0.000 1.124 7 L CA 1.049 55.605 54.840 -0.474 0.000 0.880 7 L CB -0.231 41.305 42.059 -0.871 0.000 1.192 7 L HN 1.034 nan 8.230 nan 0.000 0.463 8 G N 3.796 112.469 108.800 -0.211 0.000 2.742 8 G HA2 -0.172 3.788 3.960 0.001 0.000 0.686 8 G HA3 -0.172 3.788 3.960 0.001 0.000 0.686 8 G C -0.600 174.246 174.900 -0.091 0.000 1.220 8 G CA -0.185 44.837 45.100 -0.131 0.000 0.783 8 G HN 0.985 nan 8.290 nan 0.000 0.646 9 N N 0.560 119.216 118.700 -0.073 0.000 2.433 9 N HA 0.420 5.160 4.740 0.001 0.000 0.270 9 N C 0.896 176.362 175.510 -0.073 0.000 1.354 9 N CA 0.526 53.538 53.050 -0.063 0.000 0.889 9 N CB 0.603 39.063 38.487 -0.045 0.000 1.285 9 N HN 1.060 nan 8.380 nan 0.000 0.503 10 G N 0.683 109.433 108.800 -0.084 0.000 2.553 10 G HA2 0.069 4.029 3.960 0.001 0.000 0.278 10 G HA3 0.069 4.029 3.960 0.001 0.000 0.278 10 G C 0.969 175.768 174.900 -0.169 0.000 1.349 10 G CA -0.145 44.891 45.100 -0.106 0.000 1.037 10 G HN 0.303 nan 8.290 nan 0.000 0.508 11 Q N -0.751 118.887 119.800 -0.271 0.000 2.181 11 Q HA -0.123 4.217 4.340 0.001 0.000 0.205 11 Q C 2.388 178.139 176.000 -0.416 0.000 0.980 11 Q CA 1.387 56.879 55.803 -0.519 0.000 0.862 11 Q CB -0.561 27.448 28.738 -1.215 0.000 0.905 11 Q HN 0.561 nan 8.270 nan 0.000 0.429 12 L N 0.698 121.785 121.223 -0.226 0.000 2.046 12 L HA -0.058 4.283 4.340 0.001 0.000 0.208 12 L C 2.673 179.501 176.870 -0.070 0.000 1.077 12 L CA 1.263 56.067 54.840 -0.060 0.000 0.747 12 L CB -0.980 41.123 42.059 0.073 0.000 0.896 12 L HN 0.375 nan 8.230 nan 0.000 0.432 13 G N -0.170 108.583 108.800 -0.079 0.000 2.422 13 G HA2 -0.267 3.693 3.960 0.001 0.000 0.218 13 G HA3 -0.267 3.693 3.960 0.001 0.000 0.218 13 G C 1.748 176.588 174.900 -0.100 0.000 1.146 13 G CA 0.653 45.720 45.100 -0.055 0.000 0.769 13 G HN 0.283 nan 8.290 nan 0.000 0.547 14 R N -0.219 120.187 120.500 -0.156 0.000 2.081 14 R HA 0.052 4.392 4.340 0.001 0.000 0.235 14 R C 2.451 178.611 176.300 -0.233 0.000 1.131 14 R CA 1.413 57.414 56.100 -0.166 0.000 0.960 14 R CB -0.323 29.874 30.300 -0.172 0.000 0.856 14 R HN 0.352 nan 8.270 nan 0.000 0.436 15 M N 0.516 119.874 119.600 -0.404 0.000 2.296 15 M HA -0.096 4.384 4.480 0.001 0.000 0.265 15 M C 2.121 178.060 176.300 -0.602 0.000 1.064 15 M CA 1.127 56.008 55.300 -0.698 0.000 1.109 15 M CB 0.029 31.792 32.600 -1.396 0.000 1.396 15 M HN 0.219 nan 8.290 nan 0.000 0.430 16 L N -0.571 120.495 121.223 -0.261 0.000 2.109 16 L HA -0.167 4.173 4.340 0.001 0.000 0.207 16 L C 2.667 179.538 176.870 0.002 0.000 1.086 16 L CA 1.113 55.979 54.840 0.044 0.000 0.760 16 L CB -0.466 41.684 42.059 0.150 0.000 0.910 16 L HN 0.284 nan 8.230 nan 0.000 0.437 17 R N -0.070 120.401 120.500 -0.050 0.000 2.075 17 R HA -0.180 4.160 4.340 0.001 0.000 0.232 17 R C 2.236 178.507 176.300 -0.049 0.000 1.126 17 R CA 1.434 57.510 56.100 -0.039 0.000 0.963 17 R CB -0.092 30.166 30.300 -0.070 0.000 0.858 17 R HN 0.393 nan 8.270 nan 0.000 0.435 18 Q N -0.168 119.580 119.800 -0.087 0.000 2.096 18 Q HA -0.142 4.199 4.340 0.001 0.000 0.204 18 Q C 2.163 178.145 176.000 -0.030 0.000 0.982 18 Q CA 1.829 57.592 55.803 -0.066 0.000 0.850 18 Q CB -0.146 28.538 28.738 -0.090 0.000 0.901 18 Q HN 0.470 nan 8.270 nan 0.000 0.422 19 A N 0.643 123.446 122.820 -0.028 0.000 1.933 19 A HA -0.110 4.210 4.320 0.001 0.000 0.218 19 A C 2.243 179.860 177.584 0.055 0.000 1.175 19 A CA 1.649 53.715 52.037 0.048 0.000 0.628 19 A CB -1.021 18.062 19.000 0.139 0.000 0.814 19 A HN 0.490 nan 8.150 nan 0.000 0.444 20 G N -0.914 107.915 108.800 0.049 0.000 2.448 20 G HA2 -0.149 3.812 3.960 0.001 0.000 0.218 20 G HA3 -0.149 3.812 3.960 0.001 0.000 0.218 20 G C 1.398 176.318 174.900 0.035 0.000 1.135 20 G CA 0.889 46.020 45.100 0.052 0.000 0.784 20 G HN 0.640 nan 8.290 nan 0.000 0.543 21 E N 0.908 121.116 120.200 0.015 0.000 2.049 21 E HA -0.138 4.212 4.350 0.001 0.000 0.198 21 E C -0.070 176.539 176.600 0.014 0.000 1.007 21 E CA 1.331 57.733 56.400 0.004 0.000 0.809 21 E CB -0.313 29.378 29.700 -0.015 0.000 0.749 21 E HN 0.333 nan 8.360 nan 0.000 0.450 22 P HA -0.106 nan 4.420 nan 0.000 0.222 22 P C 0.947 178.264 177.300 0.028 0.000 1.147 22 P CA 1.005 64.119 63.100 0.023 0.000 0.790 22 P CB -0.035 31.682 31.700 0.028 0.000 0.780 23 L N -2.091 119.153 121.223 0.034 0.000 2.591 23 L HA 0.274 4.615 4.340 0.001 0.000 0.228 23 L C 1.421 178.311 176.870 0.033 0.000 1.133 23 L CA 0.575 55.436 54.840 0.036 0.000 0.880 23 L CB -0.910 41.175 42.059 0.043 0.000 1.033 23 L HN 0.098 nan 8.230 nan 0.000 0.450 24 G N 1.135 109.953 108.800 0.031 0.000 2.143 24 G HA2 -0.278 3.683 3.960 0.001 0.000 0.248 24 G HA3 -0.278 3.683 3.960 0.001 0.000 0.248 24 G C 0.126 175.051 174.900 0.041 0.000 0.991 24 G CA -0.136 44.983 45.100 0.031 0.000 0.689 24 G HN 0.324 nan 8.290 nan 0.000 0.522 25 I N 1.203 121.802 120.570 0.048 0.000 2.330 25 I HA 0.575 4.746 4.170 0.001 0.000 0.289 25 I C 0.782 176.943 176.117 0.074 0.000 1.001 25 I CA -0.644 60.695 61.300 0.065 0.000 1.193 25 I CB 1.753 39.794 38.000 0.068 0.000 1.345 25 I HN 0.234 nan 8.210 nan 0.000 0.461 26 A N 7.179 130.061 122.820 0.104 0.000 2.396 26 A HA 0.552 4.872 4.320 0.001 0.000 0.279 26 A C -0.252 177.463 177.584 0.218 0.000 1.165 26 A CA -0.222 51.892 52.037 0.128 0.000 0.824 26 A CB 0.171 19.302 19.000 0.219 0.000 1.100 26 A HN 0.500 nan 8.150 nan 0.000 0.516 27 V N 3.095 123.086 119.914 0.128 0.000 2.448 27 V HA 0.371 4.491 4.120 0.001 0.000 0.295 27 V C -1.121 175.061 176.094 0.148 0.000 1.025 27 V CA -0.411 62.007 62.300 0.197 0.000 0.859 27 V CB 1.169 33.052 31.823 0.101 0.000 0.988 27 V HN 0.891 nan 8.190 nan 0.000 0.431 28 W N 6.076 127.364 121.300 -0.020 0.000 2.299 28 W HA 0.525 5.185 4.660 0.000 0.000 0.319 28 W C -2.624 173.865 176.519 -0.050 0.000 1.008 28 W CA -2.880 54.446 57.345 -0.032 0.000 1.384 28 W CB 0.761 30.204 29.460 -0.029 0.000 1.220 28 W HN 0.311 nan 8.180 nan 0.000 0.402 29 P HA 0.118 nan 4.420 nan 0.000 0.276 29 P C -0.503 176.820 177.300 0.038 0.000 1.253 29 P CA -0.009 63.111 63.100 0.033 0.000 0.766 29 P CB 0.878 32.566 31.700 -0.020 0.000 0.845 30 V N 4.211 124.122 119.914 -0.005 0.000 2.417 30 V HA 0.560 4.680 4.120 0.001 0.000 0.291 30 V C 1.012 177.065 176.094 -0.070 0.000 1.024 30 V CA -0.612 61.678 62.300 -0.017 0.000 0.861 30 V CB 1.458 33.241 31.823 -0.068 0.000 0.985 30 V HN 0.650 nan 8.190 nan 0.000 0.436 31 G N 2.945 111.719 108.800 -0.042 0.000 2.527 31 G HA2 0.386 4.346 3.960 0.001 0.000 0.248 31 G HA3 0.386 4.346 3.960 0.001 0.000 0.248 31 G C 0.709 175.567 174.900 -0.071 0.000 1.231 31 G CA -0.588 44.482 45.100 -0.050 0.000 0.838 31 G HN 0.767 nan 8.290 nan 0.000 0.570 32 L N 0.823 122.005 121.223 -0.069 0.000 2.551 32 L HA 0.022 4.362 4.340 0.001 0.000 0.228 32 L C 1.649 178.488 176.870 -0.052 0.000 1.153 32 L CA 0.725 55.519 54.840 -0.078 0.000 0.851 32 L CB -0.208 41.821 42.059 -0.049 0.000 0.959 32 L HN 0.654 nan 8.230 nan 0.000 0.451 33 D N -0.004 120.377 120.400 -0.032 0.000 2.339 33 D HA 0.066 4.706 4.640 0.001 0.000 0.217 33 D C 0.866 177.157 176.300 -0.014 0.000 1.050 33 D CA -0.065 53.924 54.000 -0.018 0.000 0.856 33 D CB 0.108 40.904 40.800 -0.006 0.000 0.922 33 D HN 0.099 nan 8.370 nan 0.000 0.518 34 A N 0.547 123.354 122.820 -0.023 0.000 2.425 34 A HA 0.193 4.513 4.320 0.001 0.000 0.242 34 A C 0.464 178.045 177.584 -0.005 0.000 1.077 34 A CA -0.192 51.842 52.037 -0.005 0.000 0.781 34 A CB 0.434 19.433 19.000 -0.001 0.000 1.020 34 A HN -0.007 nan 8.150 nan 0.000 0.494 35 E N 1.875 122.084 120.200 0.016 0.000 2.229 35 E HA 0.213 4.564 4.350 0.001 0.000 0.283 35 E C -1.539 175.087 176.600 0.044 0.000 1.030 35 E CA -2.031 54.382 56.400 0.022 0.000 0.836 35 E CB 1.064 30.781 29.700 0.027 0.000 1.068 35 E HN 0.369 nan 8.360 nan 0.000 0.401 36 P HA -0.212 nan 4.420 nan 0.000 0.216 36 P C 0.996 178.423 177.300 0.211 0.000 1.150 36 P CA 1.421 64.616 63.100 0.160 0.000 0.843 36 P CB 0.206 31.982 31.700 0.126 0.000 0.787 37 A N 0.456 123.335 122.820 0.098 0.000 1.986 37 A HA -0.112 4.209 4.320 0.001 0.000 0.220 37 A C 2.271 179.857 177.584 0.004 0.000 1.171 37 A CA 2.086 54.142 52.037 0.031 0.000 0.640 37 A CB -1.438 17.573 19.000 0.017 0.000 0.811 37 A HN 0.271 nan 8.150 nan 0.000 0.451 38 A N -1.093 121.746 122.820 0.032 0.000 2.278 38 A HA 0.479 4.799 4.320 0.001 0.000 0.212 38 A C 0.318 177.918 177.584 0.025 0.000 1.213 38 A CA 0.302 52.359 52.037 0.033 0.000 0.840 38 A CB -0.157 18.878 19.000 0.059 0.000 0.866 38 A HN 0.314 nan 8.150 nan 0.000 0.489 39 V N 0.729 120.638 119.914 -0.008 0.000 2.531 39 V HA 0.314 4.435 4.120 0.001 0.000 0.301 39 V C -2.467 173.455 176.094 -0.287 0.000 1.034 39 V CA -1.542 60.699 62.300 -0.099 0.000 0.865 39 V CB 1.976 33.861 31.823 0.104 0.000 0.995 39 V HN 0.168 nan 8.190 nan 0.000 0.424 40 P HA 0.062 nan 4.420 nan 0.000 0.261 40 P C 0.872 177.847 177.300 -0.543 0.000 1.650 40 P CA -0.147 62.592 63.100 -0.601 0.000 0.846 40 P CB -0.609 30.652 31.700 -0.731 0.000 1.758 41 F N -0.371 119.340 119.950 -0.397 0.000 2.502 41 F HA -0.093 4.434 4.527 0.001 0.000 0.298 41 F C 1.397 176.945 175.800 -0.420 0.000 1.111 41 F CA 0.608 58.367 58.000 -0.402 0.000 1.445 41 F CB -1.451 37.316 39.000 -0.388 0.000 1.081 41 F HN -0.073 nan 8.300 nan 0.000 0.558 42 Q N 1.143 120.453 119.800 -0.816 0.000 2.435 42 Q HA -0.032 4.308 4.340 0.001 0.000 0.207 42 Q C 0.782 176.658 176.000 -0.207 0.000 0.956 42 Q CA 1.064 56.613 55.803 -0.424 0.000 0.917 42 Q CB -0.812 27.689 28.738 -0.395 0.000 0.997 42 Q HN 0.712 nan 8.270 nan 0.000 0.497 43 Q N -0.627 119.021 119.800 -0.253 0.000 2.157 43 Q HA 0.433 4.773 4.340 0.001 0.000 0.229 43 Q C -0.469 175.446 176.000 -0.143 0.000 0.827 43 Q CA -0.180 55.524 55.803 -0.165 0.000 1.055 43 Q CB 1.062 29.689 28.738 -0.186 0.000 1.157 43 Q HN -0.007 nan 8.270 nan 0.000 0.482 44 S N -0.321 115.293 115.700 -0.144 0.000 2.697 44 S HA 0.531 5.001 4.470 0.001 0.000 0.289 44 S C -0.657 173.920 174.600 -0.039 0.000 1.149 44 S CA -0.697 57.443 58.200 -0.100 0.000 0.850 44 S CB 2.013 65.123 63.200 -0.150 0.000 1.151 44 S HN 0.016 nan 8.310 nan 0.000 0.491 45 V N 1.956 121.871 119.914 0.003 0.000 2.465 45 V HA 0.431 4.551 4.120 0.001 0.000 0.279 45 V C -0.523 175.599 176.094 0.047 0.000 1.045 45 V CA -0.250 62.083 62.300 0.056 0.000 0.938 45 V CB 0.738 32.609 31.823 0.080 0.000 0.986 45 V HN 0.603 nan 8.190 nan 0.000 0.467 46 I N 4.401 125.021 120.570 0.084 0.000 2.412 46 I HA 0.561 4.732 4.170 0.001 0.000 0.296 46 I C 0.298 176.531 176.117 0.194 0.000 0.987 46 I CA 0.224 61.542 61.300 0.030 0.000 1.180 46 I CB 1.986 39.934 38.000 -0.087 0.000 1.340 46 I HN 0.672 nan 8.210 nan 0.000 0.455 47 T N 3.883 118.476 114.554 0.066 0.000 2.696 47 T HA 0.872 5.223 4.350 0.001 0.000 0.291 47 T C -1.707 172.972 174.700 -0.034 0.000 1.095 47 T CA -0.551 61.707 62.100 0.263 0.000 1.026 47 T CB 1.758 70.860 68.868 0.391 0.000 1.390 47 T HN 0.678 nan 8.240 nan 0.000 0.513 48 A N 0.711 123.610 122.820 0.133 0.000 2.475 48 A HA 0.698 5.018 4.320 0.001 0.000 0.301 48 A C -0.008 177.621 177.584 0.074 0.000 1.059 48 A CA -0.489 51.505 52.037 -0.071 0.000 0.710 48 A CB 1.444 20.314 19.000 -0.217 0.000 1.288 48 A HN 0.929 nan 8.150 nan 0.000 0.408 49 E N 0.864 121.068 120.200 0.007 0.000 2.498 49 E HA 0.331 4.681 4.350 0.001 0.000 0.203 49 E C 0.088 176.720 176.600 0.053 0.000 1.013 49 E CA 0.011 56.433 56.400 0.036 0.000 0.927 49 E CB -0.168 29.531 29.700 -0.002 0.000 1.012 49 E HN 0.685 nan 8.360 nan 0.000 0.482 50 I N -2.666 117.957 120.570 0.087 0.000 2.785 50 I HA 0.475 4.645 4.170 0.001 0.000 0.302 50 I C 0.284 176.563 176.117 0.271 0.000 1.069 50 I CA -1.174 60.195 61.300 0.116 0.000 1.045 50 I CB 2.435 40.478 38.000 0.072 0.000 1.236 50 I HN -0.255 nan 8.210 nan 0.000 0.429 51 E N 1.826 122.136 120.200 0.184 0.000 2.190 51 E HA 0.034 4.384 4.350 0.001 0.000 0.191 51 E C 0.218 176.795 176.600 -0.039 0.000 0.978 51 E CA 0.531 57.051 56.400 0.201 0.000 0.839 51 E CB 0.329 30.100 29.700 0.119 0.000 0.787 51 E HN 0.635 nan 8.360 nan 0.000 0.473 52 R N -0.226 120.215 120.500 -0.099 0.000 2.836 52 R HA 0.510 4.850 4.340 0.001 0.000 0.269 52 R C -1.898 174.321 176.300 -0.133 0.000 1.010 52 R CA -0.984 54.856 56.100 -0.433 0.000 0.930 52 R CB 0.922 31.057 30.300 -0.276 0.000 1.218 52 R HN 0.014 nan 8.270 nan 0.000 0.473 53 W N 0.307 121.579 121.300 -0.047 0.000 3.167 53 W HA 0.647 5.307 4.660 0.001 0.000 0.324 53 W C -2.765 173.731 176.519 -0.038 0.000 1.230 53 W CA -2.063 55.244 57.345 -0.063 0.000 1.184 53 W CB 0.122 29.524 29.460 -0.097 0.000 1.414 53 W HN 0.552 nan 8.180 nan 0.000 0.551 54 P HA 0.280 nan 4.420 nan 0.000 0.277 54 P C -0.965 176.433 177.300 0.164 0.000 1.271 54 P CA -0.268 62.897 63.100 0.108 0.000 0.795 54 P CB 1.302 33.047 31.700 0.075 0.000 1.101 55 E N -0.035 120.229 120.200 0.106 0.000 2.229 55 E HA 0.378 4.728 4.350 0.001 0.000 0.283 55 E C 0.129 176.765 176.600 0.060 0.000 1.030 55 E CA -0.163 56.298 56.400 0.102 0.000 0.836 55 E CB 0.724 30.465 29.700 0.067 0.000 1.068 55 E HN 0.490 nan 8.360 nan 0.000 0.401 56 T N -1.118 113.458 114.554 0.036 0.000 2.838 56 T HA 0.564 4.914 4.350 0.001 0.000 0.292 56 T C 0.907 175.595 174.700 -0.020 0.000 1.113 56 T CA -0.335 61.768 62.100 0.004 0.000 1.008 56 T CB 1.418 70.280 68.868 -0.011 0.000 1.259 56 T HN 0.267 nan 8.240 nan 0.000 0.520 57 A N 0.659 123.465 122.820 -0.024 0.000 1.908 57 A HA 0.018 4.338 4.320 0.001 0.000 0.218 57 A C 2.187 179.723 177.584 -0.080 0.000 1.181 57 A CA 1.573 53.591 52.037 -0.032 0.000 0.627 57 A CB -1.043 17.948 19.000 -0.015 0.000 0.818 57 A HN 0.824 nan 8.150 nan 0.000 0.445 58 L N 0.560 121.719 121.223 -0.108 0.000 2.027 58 L HA -0.134 4.206 4.340 0.001 0.000 0.206 58 L C 2.749 179.448 176.870 -0.284 0.000 1.074 58 L CA 3.065 57.784 54.840 -0.202 0.000 0.745 58 L CB -1.551 40.399 42.059 -0.182 0.000 0.898 58 L HN 0.635 nan 8.230 nan 0.000 0.433 59 T N -2.515 111.902 114.554 -0.227 0.000 2.788 59 T HA -0.228 4.122 4.350 0.001 0.000 0.268 59 T C 1.988 176.579 174.700 -0.182 0.000 1.044 59 T CA 1.118 63.045 62.100 -0.288 0.000 1.139 59 T CB -0.418 68.327 68.868 -0.205 0.000 0.867 59 T HN 0.367 nan 8.240 nan 0.000 0.454 60 R N 0.860 121.307 120.500 -0.088 0.000 2.083 60 R HA -0.057 4.284 4.340 0.001 0.000 0.237 60 R C 3.078 179.329 176.300 -0.081 0.000 1.137 60 R CA 1.739 57.819 56.100 -0.035 0.000 0.951 60 R CB -0.261 30.031 30.300 -0.012 0.000 0.851 60 R HN 0.552 nan 8.270 nan 0.000 0.434 61 Q N 0.453 120.150 119.800 -0.171 0.000 2.046 61 Q HA -0.095 4.245 4.340 0.001 0.000 0.200 61 Q C 2.378 178.168 176.000 -0.349 0.000 0.975 61 Q CA 1.100 56.765 55.803 -0.229 0.000 0.836 61 Q CB -0.137 28.372 28.738 -0.382 0.000 0.896 61 Q HN 0.391 nan 8.270 nan 0.000 0.428 62 L N 0.286 121.168 121.223 -0.568 0.000 2.027 62 L HA -0.135 4.206 4.340 0.001 0.000 0.206 62 L C 2.434 179.099 176.870 -0.342 0.000 1.074 62 L CA 1.079 55.565 54.840 -0.590 0.000 0.745 62 L CB -0.620 40.976 42.059 -0.772 0.000 0.898 62 L HN 0.158 nan 8.230 nan 0.000 0.433 63 A N 0.709 123.354 122.820 -0.291 0.000 2.070 63 A HA -0.181 4.139 4.320 0.001 0.000 0.220 63 A C 2.140 179.903 177.584 0.299 0.000 1.159 63 A CA 1.423 53.489 52.037 0.048 0.000 0.656 63 A CB -0.463 18.677 19.000 0.234 0.000 0.800 63 A HN 0.591 nan 8.150 nan 0.000 0.453 64 R N -1.884 118.713 120.500 0.162 0.000 2.362 64 R HA 0.127 4.468 4.340 0.001 0.000 0.227 64 R C 0.492 176.897 176.300 0.176 0.000 0.905 64 R CA -0.355 55.847 56.100 0.170 0.000 1.067 64 R CB -0.322 30.037 30.300 0.098 0.000 1.078 64 R HN 0.481 nan 8.270 nan 0.000 0.516 65 H N 3.367 122.504 119.070 0.111 0.000 2.764 65 H HA 0.106 4.662 4.556 0.000 0.000 0.341 65 H C -1.462 173.961 175.328 0.158 0.000 1.072 65 H CA -1.664 54.455 56.048 0.119 0.000 1.444 65 H CB 1.670 31.486 29.762 0.089 0.000 1.458 65 H HN -0.046 nan 8.280 nan 0.000 0.572 66 P HA -0.100 nan 4.420 nan 0.000 0.222 66 P C 0.822 178.264 177.300 0.236 0.000 1.147 66 P CA 1.227 64.374 63.100 0.079 0.000 0.790 66 P CB 0.098 31.763 31.700 -0.057 0.000 0.780 67 A N -0.805 122.314 122.820 0.499 0.000 2.206 67 A HA -0.033 4.287 4.320 0.001 0.000 0.211 67 A C 0.863 178.649 177.584 0.336 0.000 1.158 67 A CA -0.163 52.086 52.037 0.353 0.000 0.761 67 A CB -1.212 17.953 19.000 0.275 0.000 0.801 67 A HN 0.085 nan 8.150 nan 0.000 0.473 68 F N 2.045 122.100 119.950 0.175 0.000 2.490 68 F HA 0.329 4.857 4.527 0.000 0.000 0.357 68 F C 0.153 176.051 175.800 0.165 0.000 1.166 68 F CA -1.366 56.706 58.000 0.120 0.000 1.116 68 F CB -0.388 38.659 39.000 0.078 0.000 1.171 68 F HN -0.098 nan 8.300 nan 0.000 0.576 69 V N 7.911 128.040 119.914 0.359 0.000 2.540 69 V HA 0.020 4.140 4.120 0.001 0.000 0.297 69 V C 0.674 176.750 176.094 -0.031 0.000 1.024 69 V CA -0.006 62.377 62.300 0.138 0.000 1.105 69 V CB 0.031 31.926 31.823 0.120 0.000 0.938 69 V HN 0.854 nan 8.190 nan 0.000 0.482 70 N N 2.291 120.914 118.700 -0.128 0.000 2.850 70 N HA -0.204 4.537 4.740 0.001 0.000 0.249 70 N C 1.538 176.942 175.510 -0.176 0.000 1.060 70 N CA 1.170 54.108 53.050 -0.186 0.000 0.825 70 N CB -0.950 37.348 38.487 -0.315 0.000 1.132 70 N HN 0.825 nan 8.380 nan 0.000 0.564 71 R N 1.112 121.386 120.500 -0.376 0.000 2.134 71 R HA -0.181 4.159 4.340 0.001 0.000 0.248 71 R C 0.384 176.679 176.300 -0.008 0.000 1.143 71 R CA 2.236 58.084 56.100 -0.420 0.000 0.957 71 R CB -0.069 30.122 30.300 -0.181 0.000 0.867 71 R HN 0.165 nan 8.270 nan 0.000 0.441 72 D N -0.397 120.000 120.400 -0.005 0.000 2.328 72 D HA 0.007 4.647 4.640 0.001 0.000 0.226 72 D C 1.364 177.675 176.300 0.017 0.000 1.066 72 D CA 0.243 54.261 54.000 0.031 0.000 0.861 72 D CB 0.679 41.490 40.800 0.018 0.000 0.912 72 D HN 0.140 nan 8.370 nan 0.000 0.521 73 V N -0.188 119.718 119.914 -0.014 0.000 2.795 73 V HA -0.062 4.058 4.120 0.001 0.000 0.243 73 V C 1.814 177.856 176.094 -0.087 0.000 1.069 73 V CA 0.422 62.677 62.300 -0.075 0.000 1.089 73 V CB -0.314 31.429 31.823 -0.132 0.000 0.756 73 V HN 0.023 nan 8.190 nan 0.000 0.471 74 F N 0.751 120.706 119.950 0.009 0.000 2.115 74 F HA -0.152 4.375 4.527 0.000 0.000 0.300 74 F C 0.044 175.819 175.800 -0.043 0.000 1.092 74 F CA 2.282 60.299 58.000 0.028 0.000 1.245 74 F CB -2.048 37.030 39.000 0.130 0.000 0.995 74 F HN 0.300 nan 8.300 nan 0.000 0.481 75 P HA -0.180 nan 4.420 nan 0.000 0.215 75 P C 1.782 179.065 177.300 -0.028 0.000 1.153 75 P CA 1.654 64.766 63.100 0.020 0.000 0.853 75 P CB -0.113 31.600 31.700 0.022 0.000 0.788 76 I N -1.630 118.916 120.570 -0.040 0.000 2.226 76 I HA -0.214 3.957 4.170 0.001 0.000 0.245 76 I C 2.141 178.184 176.117 -0.123 0.000 1.100 76 I CA 1.477 62.727 61.300 -0.083 0.000 1.374 76 I CB -0.594 37.355 38.000 -0.085 0.000 1.057 76 I HN -0.124 nan 8.210 nan 0.000 0.413 77 I N 0.734 121.232 120.570 -0.119 0.000 2.480 77 I HA -0.110 4.060 4.170 0.001 0.000 0.251 77 I C 2.669 178.722 176.117 -0.106 0.000 1.124 77 I CA 0.937 62.149 61.300 -0.147 0.000 1.444 77 I CB -0.420 37.482 38.000 -0.165 0.000 1.098 77 I HN 0.090 nan 8.210 nan 0.000 0.428 78 A N -0.392 122.397 122.820 -0.051 0.000 2.125 78 A HA -0.178 4.143 4.320 0.001 0.000 0.219 78 A C 1.070 178.609 177.584 -0.075 0.000 1.156 78 A CA 1.135 53.147 52.037 -0.042 0.000 0.671 78 A CB -0.471 18.505 19.000 -0.040 0.000 0.794 78 A HN 0.366 nan 8.150 nan 0.000 0.459 79 D N -0.839 119.503 120.400 -0.096 0.000 2.373 79 D HA 0.281 4.921 4.640 0.001 0.000 0.227 79 D C 1.048 177.262 176.300 -0.144 0.000 1.091 79 D CA -0.517 53.425 54.000 -0.097 0.000 0.840 79 D CB 0.569 41.318 40.800 -0.085 0.000 1.060 79 D HN 0.186 nan 8.370 nan 0.000 0.502 80 R N 2.382 122.799 120.500 -0.139 0.000 2.170 80 R HA -0.179 4.162 4.340 0.001 0.000 0.242 80 R C 1.830 177.931 176.300 -0.331 0.000 1.145 80 R CA 0.920 56.888 56.100 -0.220 0.000 0.984 80 R CB -0.137 30.075 30.300 -0.147 0.000 0.869 80 R HN 0.449 nan 8.270 nan 0.000 0.455 81 L N 0.836 121.935 121.223 -0.206 0.000 1.994 81 L HA -0.175 4.165 4.340 0.001 0.000 0.208 81 L C 2.353 179.091 176.870 -0.219 0.000 1.071 81 L CA 2.451 57.199 54.840 -0.153 0.000 0.745 81 L CB -0.839 41.226 42.059 0.010 0.000 0.892 81 L HN 0.206 nan 8.230 nan 0.000 0.431 82 T N -3.203 111.242 114.554 -0.182 0.000 2.915 82 T HA -0.210 4.140 4.350 0.001 0.000 0.269 82 T C 1.830 176.334 174.700 -0.328 0.000 1.071 82 T CA 1.331 63.317 62.100 -0.189 0.000 1.132 82 T CB -0.515 68.278 68.868 -0.125 0.000 0.878 82 T HN 0.577 nan 8.240 nan 0.000 0.479 83 Q N 0.781 120.323 119.800 -0.430 0.000 2.046 83 Q HA -0.128 4.212 4.340 0.001 0.000 0.200 83 Q C 2.217 177.513 176.000 -1.174 0.000 0.975 83 Q CA 1.066 56.467 55.803 -0.670 0.000 0.836 83 Q CB -0.003 28.389 28.738 -0.576 0.000 0.896 83 Q HN 0.291 nan 8.270 nan 0.000 0.428 84 K N 0.419 120.175 120.400 -1.074 0.000 2.097 84 K HA -0.152 4.168 4.320 0.001 0.000 0.206 84 K C 2.019 178.238 176.600 -0.635 0.000 1.049 84 K CA 1.279 56.854 56.287 -1.187 0.000 0.933 84 K CB -0.164 31.290 32.500 -1.744 0.000 0.717 84 K HN 0.417 nan 8.250 nan 0.000 0.442 85 Q N 0.408 119.983 119.800 -0.375 0.000 2.170 85 Q HA -0.125 4.215 4.340 0.001 0.000 0.203 85 Q C 2.100 178.029 176.000 -0.119 0.000 0.976 85 Q CA 0.834 56.604 55.803 -0.055 0.000 0.858 85 Q CB -0.126 28.609 28.738 -0.004 0.000 0.907 85 Q HN 0.141 nan 8.270 nan 0.000 0.433 86 L N -0.291 120.778 121.223 -0.257 0.000 2.056 86 L HA -0.127 4.214 4.340 0.001 0.000 0.207 86 L C 1.756 178.604 176.870 -0.037 0.000 1.078 86 L CA 1.583 56.322 54.840 -0.169 0.000 0.749 86 L CB -0.368 41.558 42.059 -0.221 0.000 0.901 86 L HN 0.037 nan 8.230 nan 0.000 0.433 87 F N 0.391 120.260 119.950 -0.135 0.000 2.134 87 F HA -0.172 4.356 4.527 0.000 0.000 0.299 87 F C 2.387 178.128 175.800 -0.098 0.000 1.097 87 F CA 1.118 59.044 58.000 -0.124 0.000 1.264 87 F CB -1.374 37.537 39.000 -0.149 0.000 1.001 87 F HN 0.207 nan 8.300 nan 0.000 0.479 88 D N 0.137 120.608 120.400 0.118 0.000 2.117 88 D HA -0.164 4.476 4.640 0.001 0.000 0.198 88 D C 2.275 178.504 176.300 -0.118 0.000 0.982 88 D CA 1.108 55.143 54.000 0.059 0.000 0.828 88 D CB -0.411 40.480 40.800 0.151 0.000 0.967 88 D HN 0.229 nan 8.370 nan 0.000 0.464 89 K N 0.649 120.990 120.400 -0.098 0.000 2.074 89 K HA -0.126 4.194 4.320 0.001 0.000 0.209 89 K C 1.692 178.119 176.600 -0.288 0.000 1.048 89 K CA 0.959 57.144 56.287 -0.169 0.000 0.926 89 K CB -0.132 32.320 32.500 -0.080 0.000 0.713 89 K HN 0.151 nan 8.250 nan 0.000 0.444 90 L N 0.160 121.286 121.223 -0.161 0.000 2.612 90 L HA 0.100 4.440 4.340 0.001 0.000 0.230 90 L C -0.360 176.483 176.870 -0.045 0.000 1.140 90 L CA 0.089 54.882 54.840 -0.078 0.000 0.896 90 L CB -0.530 41.534 42.059 0.007 0.000 1.065 90 L HN 0.360 nan 8.230 nan 0.000 0.447 91 H N -1.773 117.326 119.070 0.048 0.000 2.903 91 H HA -0.133 4.423 4.556 0.001 0.000 0.285 91 H C -0.198 175.143 175.328 0.021 0.000 1.231 91 H CA 0.132 56.202 56.048 0.037 0.000 1.135 91 H CB -2.107 27.668 29.762 0.022 0.000 1.328 91 H HN 0.235 nan 8.280 nan 0.000 0.388 92 L N 1.455 122.705 121.223 0.045 0.000 2.283 92 L HA 0.335 4.675 4.340 0.001 0.000 0.287 92 L C -1.788 175.065 176.870 -0.029 0.000 1.073 92 L CA -2.009 52.820 54.840 -0.019 0.000 0.822 92 L CB 0.445 42.446 42.059 -0.097 0.000 1.186 92 L HN -0.114 nan 8.230 nan 0.000 0.436 93 P HA 0.067 nan 4.420 nan 0.000 0.264 93 P C -0.198 177.069 177.300 -0.056 0.000 1.183 93 P CA 0.284 63.379 63.100 -0.008 0.000 0.763 93 P CB 0.871 32.570 31.700 -0.002 0.000 0.807 94 T N 0.821 115.393 114.554 0.030 0.000 2.769 94 T HA 0.607 4.958 4.350 0.001 0.000 0.306 94 T C -1.390 173.399 174.700 0.149 0.000 1.400 94 T CA -0.569 61.553 62.100 0.037 0.000 1.007 94 T CB 0.605 69.523 68.868 0.083 0.000 1.392 94 T HN 0.306 nan 8.240 nan 0.000 0.500 95 A N 3.039 125.972 122.820 0.188 0.000 2.511 95 A HA 0.562 4.883 4.320 0.001 0.000 0.242 95 A C -2.455 175.313 177.584 0.308 0.000 1.069 95 A CA -0.707 51.475 52.037 0.242 0.000 0.763 95 A CB -0.627 18.537 19.000 0.273 0.000 1.001 95 A HN 0.592 nan 8.150 nan 0.000 0.498 96 P HA 0.125 nan 4.420 nan 0.000 0.265 96 P C -0.199 177.286 177.300 0.307 0.000 1.187 96 P CA 0.422 63.669 63.100 0.245 0.000 0.766 96 P CB 0.311 32.084 31.700 0.121 0.000 0.820 97 W N 2.588 123.894 121.300 0.010 0.000 2.826 97 W HA 0.545 5.205 4.660 0.001 0.000 0.410 97 W C -1.934 174.560 176.519 -0.042 0.000 1.128 97 W CA -0.762 56.575 57.345 -0.014 0.000 1.176 97 W CB 0.655 30.118 29.460 0.005 0.000 1.475 97 W HN 0.545 nan 8.180 nan 0.000 0.588 98 Q N 0.584 120.273 119.800 -0.185 0.000 2.829 98 Q HA 0.541 4.882 4.340 0.001 0.000 0.296 98 Q C -2.272 173.677 176.000 -0.084 0.000 0.893 98 Q CA -1.081 54.401 55.803 -0.535 0.000 0.772 98 Q CB 2.302 30.776 28.738 -0.440 0.000 1.489 98 Q HN 0.595 nan 8.270 nan 0.000 0.420 99 L N 1.232 122.375 121.223 -0.134 0.000 2.380 99 L HA 0.424 4.764 4.340 0.001 0.000 0.273 99 L C -1.054 175.738 176.870 -0.130 0.000 1.138 99 L CA -0.551 54.283 54.840 -0.010 0.000 0.832 99 L CB 1.064 43.119 42.059 -0.007 0.000 1.124 99 L HN 0.688 nan 8.230 nan 0.000 0.454 100 L N 5.814 126.938 121.223 -0.165 0.000 2.282 100 L HA 0.497 4.837 4.340 0.001 0.000 0.287 100 L C 0.662 177.412 176.870 -0.199 0.000 1.075 100 L CA 0.691 55.349 54.840 -0.304 0.000 0.839 100 L CB 0.405 42.179 42.059 -0.475 0.000 1.219 100 L HN 0.841 nan 8.230 nan 0.000 0.434 101 A N 4.023 126.769 122.820 -0.122 0.000 2.197 101 A HA 0.369 4.689 4.320 0.001 0.000 0.210 101 A C 0.604 178.240 177.584 0.085 0.000 1.180 101 A CA 0.136 52.161 52.037 -0.019 0.000 0.846 101 A CB 0.139 19.113 19.000 -0.044 0.000 0.884 101 A HN 0.665 nan 8.150 nan 0.000 0.487 102 E N -1.922 118.338 120.200 0.100 0.000 2.401 102 E HA 0.322 4.672 4.350 0.001 0.000 0.280 102 E C -0.043 176.550 176.600 -0.011 0.000 1.039 102 E CA -0.712 55.713 56.400 0.040 0.000 0.814 102 E CB 1.097 30.774 29.700 -0.039 0.000 1.275 102 E HN 0.163 nan 8.360 nan 0.000 0.448 103 R N 0.050 120.427 120.500 -0.205 0.000 2.127 103 R HA -0.133 4.208 4.340 0.001 0.000 0.238 103 R C 2.007 178.383 176.300 0.126 0.000 1.134 103 R CA 1.733 57.861 56.100 0.045 0.000 0.975 103 R CB -0.281 29.997 30.300 -0.035 0.000 0.865 103 R HN 0.515 nan 8.270 nan 0.000 0.447 104 S N 0.983 116.697 115.700 0.024 0.000 2.465 104 S HA -0.158 4.313 4.470 0.001 0.000 0.241 104 S C 1.448 176.068 174.600 0.034 0.000 1.000 104 S CA 1.213 59.435 58.200 0.036 0.000 0.964 104 S CB -0.133 63.066 63.200 -0.001 0.000 0.763 104 S HN 0.443 nan 8.310 nan 0.000 0.512 105 E N -0.137 120.045 120.200 -0.030 0.000 2.385 105 E HA 0.040 4.390 4.350 0.001 0.000 0.194 105 E C 1.280 177.861 176.600 -0.032 0.000 1.013 105 E CA 0.214 56.567 56.400 -0.079 0.000 0.866 105 E CB -0.241 29.350 29.700 -0.181 0.000 0.832 105 E HN 0.668 nan 8.360 nan 0.000 0.500 106 W N 1.666 123.001 121.300 0.058 0.000 2.290 106 W HA -0.208 4.452 4.660 0.001 0.000 0.323 106 W C -0.659 175.954 176.519 0.157 0.000 1.260 106 W CA 1.391 58.788 57.345 0.086 0.000 1.266 106 W CB -1.438 28.131 29.460 0.183 0.000 1.149 106 W HN 0.208 nan 8.180 nan 0.000 0.482 107 P HA -0.180 nan 4.420 nan 0.000 0.216 107 P C 1.303 178.740 177.300 0.228 0.000 1.150 107 P CA 2.803 66.100 63.100 0.329 0.000 0.837 107 P CB -0.449 31.373 31.700 0.203 0.000 0.786 108 A N -0.646 122.250 122.820 0.127 0.000 1.969 108 A HA -0.114 4.206 4.320 0.001 0.000 0.218 108 A C 2.344 179.944 177.584 0.027 0.000 1.169 108 A CA 1.437 53.508 52.037 0.056 0.000 0.635 108 A CB -1.662 17.338 19.000 -0.000 0.000 0.810 108 A HN 0.027 nan 8.150 nan 0.000 0.445 109 V N -1.085 118.821 119.914 -0.014 0.000 2.261 109 V HA -0.269 3.852 4.120 0.001 0.000 0.246 109 V C 2.310 178.362 176.094 -0.070 0.000 1.047 109 V CA 2.266 64.484 62.300 -0.136 0.000 1.015 109 V CB -0.929 30.700 31.823 -0.323 0.000 0.642 109 V HN 0.628 nan 8.190 nan 0.000 0.446 110 F N 0.058 120.100 119.950 0.152 0.000 2.171 110 F HA -0.161 4.367 4.527 0.001 0.000 0.300 110 F C 2.355 178.199 175.800 0.072 0.000 1.090 110 F CA 1.524 59.597 58.000 0.123 0.000 1.293 110 F CB -0.376 38.700 39.000 0.127 0.000 1.013 110 F HN 0.196 nan 8.300 nan 0.000 0.486 111 D N -0.201 120.334 120.400 0.224 0.000 2.117 111 D HA -0.150 4.490 4.640 0.001 0.000 0.197 111 D C 2.264 178.618 176.300 0.090 0.000 0.987 111 D CA 1.034 55.115 54.000 0.134 0.000 0.829 111 D CB -0.282 40.573 40.800 0.091 0.000 0.961 111 D HN 0.207 nan 8.370 nan 0.000 0.460 112 R N 0.034 120.572 120.500 0.063 0.000 2.080 112 R HA 0.106 4.447 4.340 0.001 0.000 0.222 112 R C 2.115 178.437 176.300 0.037 0.000 1.107 112 R CA 0.391 56.510 56.100 0.032 0.000 0.980 112 R CB -0.001 30.296 30.300 -0.006 0.000 0.879 112 R HN 0.124 nan 8.270 nan 0.000 0.439 113 L N 0.261 121.505 121.223 0.036 0.000 2.558 113 L HA 0.283 4.623 4.340 0.001 0.000 0.225 113 L C 0.794 177.716 176.870 0.087 0.000 1.128 113 L CA 0.269 55.135 54.840 0.043 0.000 0.868 113 L CB 0.255 42.316 42.059 0.002 0.000 1.006 113 L HN 0.516 nan 8.230 nan 0.000 0.454 114 G N 1.099 109.979 108.800 0.135 0.000 2.592 114 G HA2 -0.231 3.730 3.960 0.001 0.000 0.684 114 G HA3 -0.231 3.730 3.960 0.001 0.000 0.684 114 G C 0.482 175.546 174.900 0.274 0.000 1.291 114 G CA -0.015 45.179 45.100 0.156 0.000 0.891 114 G HN 0.389 nan 8.290 nan 0.000 0.544 115 E N -0.969 119.348 120.200 0.194 0.000 2.160 115 E HA -0.048 4.302 4.350 0.001 0.000 0.195 115 E C 1.437 178.208 176.600 0.286 0.000 0.991 115 E CA 1.558 58.070 56.400 0.187 0.000 0.810 115 E CB -0.282 29.456 29.700 0.064 0.000 0.742 115 E HN 1.310 nan 8.360 nan 0.000 0.466 116 L N -1.711 119.665 121.223 0.254 0.000 2.365 116 L HA 0.836 5.176 4.340 0.001 0.000 0.273 116 L C -0.704 176.314 176.870 0.246 0.000 1.000 116 L CA -1.397 53.614 54.840 0.285 0.000 0.819 116 L CB 2.099 44.249 42.059 0.153 0.000 1.284 116 L HN -0.054 nan 8.230 nan 0.000 0.418 117 A N 4.373 127.355 122.820 0.270 0.000 2.301 117 A HA 0.767 5.087 4.320 0.001 0.000 0.312 117 A C -0.275 177.408 177.584 0.164 0.000 1.182 117 A CA -0.572 51.529 52.037 0.108 0.000 0.826 117 A CB 0.706 19.703 19.000 -0.005 0.000 1.134 117 A HN 0.624 nan 8.150 nan 0.000 0.501 118 I N 3.882 124.534 120.570 0.136 0.000 2.307 118 I HA 0.240 4.410 4.170 0.001 0.000 0.289 118 I C -0.281 175.940 176.117 0.174 0.000 1.021 118 I CA -0.330 61.068 61.300 0.164 0.000 1.224 118 I CB 0.583 38.669 38.000 0.143 0.000 1.376 118 I HN 0.247 nan 8.210 nan 0.000 0.470 119 V N 7.592 127.655 119.914 0.248 0.000 2.394 119 V HA 0.417 4.538 4.120 0.001 0.000 0.282 119 V C 0.269 176.593 176.094 0.384 0.000 1.031 119 V CA -0.754 61.690 62.300 0.241 0.000 0.881 119 V CB 1.462 33.393 31.823 0.180 0.000 0.982 119 V HN 0.613 nan 8.190 nan 0.000 0.451 120 K N 4.054 124.608 120.400 0.257 0.000 2.378 120 K HA 0.569 4.889 4.320 0.001 0.000 0.252 120 K C -0.469 176.269 176.600 0.229 0.000 0.931 120 K CA -0.923 55.510 56.287 0.242 0.000 0.794 120 K CB 2.689 35.258 32.500 0.115 0.000 1.181 120 K HN 0.522 nan 8.250 nan 0.000 0.425 121 R N 1.453 122.117 120.500 0.272 0.000 2.679 121 R HA 0.044 4.384 4.340 0.001 0.000 0.268 121 R C 1.157 177.507 176.300 0.084 0.000 1.044 121 R CA 0.386 56.601 56.100 0.192 0.000 1.105 121 R CB 0.475 30.881 30.300 0.177 0.000 0.989 121 R HN 0.554 nan 8.270 nan 0.000 0.447 122 R N 0.060 120.587 120.500 0.044 0.000 2.096 122 R HA -0.083 4.257 4.340 0.001 0.000 0.235 122 R C 0.671 176.967 176.300 -0.007 0.000 1.127 122 R CA 1.719 57.820 56.100 0.002 0.000 0.968 122 R CB 0.007 30.301 30.300 -0.010 0.000 0.861 122 R HN 0.709 nan 8.270 nan 0.000 0.440 123 T N -5.539 109.022 114.554 0.011 0.000 2.896 123 T HA 0.535 4.885 4.350 0.001 0.000 0.297 123 T C 0.733 175.454 174.700 0.035 0.000 1.108 123 T CA -0.348 61.751 62.100 -0.002 0.000 1.004 123 T CB 2.178 71.022 68.868 -0.041 0.000 1.159 123 T HN 0.206 nan 8.240 nan 0.000 0.499 124 G N 0.130 108.955 108.800 0.041 0.000 2.184 124 G HA2 -0.033 3.927 3.960 0.001 0.000 0.264 124 G HA3 -0.033 3.927 3.960 0.001 0.000 0.264 124 G C 0.524 175.579 174.900 0.258 0.000 0.975 124 G CA 0.132 45.294 45.100 0.104 0.000 0.642 124 G HN 1.431 nan 8.290 nan 0.000 0.536 125 G N -0.232 108.684 108.800 0.193 0.000 2.444 125 G HA2 0.797 4.758 3.960 0.001 0.000 0.268 125 G HA3 0.797 4.758 3.960 0.001 0.000 0.268 125 G C -0.453 174.638 174.900 0.318 0.000 1.203 125 G CA 0.028 45.227 45.100 0.166 0.000 0.835 125 G HN 1.633 nan 8.290 nan 0.000 0.543 126 Y N -2.068 118.222 120.300 -0.016 0.000 2.732 126 Y HA 0.377 4.927 4.550 0.001 0.000 0.342 126 Y C -0.065 175.828 175.900 -0.011 0.000 1.203 126 Y CA -1.073 57.027 58.100 0.000 0.000 1.092 126 Y CB 0.790 39.260 38.460 0.016 0.000 1.345 126 Y HN 0.563 nan 8.280 nan 0.000 0.458 127 D N 0.670 121.023 120.400 -0.079 0.000 3.039 127 D HA -0.182 4.459 4.640 0.001 0.000 0.222 127 D C 1.300 177.488 176.300 -0.187 0.000 1.179 127 D CA 2.619 56.529 54.000 -0.150 0.000 0.880 127 D CB -1.499 39.220 40.800 -0.135 0.000 1.115 127 D HN 1.963 nan 8.370 nan 0.000 0.416 128 G N -0.469 108.225 108.800 -0.176 0.000 2.148 128 G HA2 -0.373 3.587 3.960 0.001 0.000 0.254 128 G HA3 -0.373 3.587 3.960 0.001 0.000 0.254 128 G C 0.209 174.961 174.900 -0.247 0.000 0.981 128 G CA 0.456 45.456 45.100 -0.166 0.000 0.670 128 G HN 0.524 nan 8.290 nan 0.000 0.528 129 R N -0.307 119.987 120.500 -0.343 0.000 2.428 129 R HA 0.549 4.889 4.340 0.001 0.000 0.294 129 R C 1.155 177.236 176.300 -0.364 0.000 1.000 129 R CA -0.092 55.776 56.100 -0.388 0.000 0.960 129 R CB 1.352 31.377 30.300 -0.459 0.000 1.076 129 R HN 1.264 nan 8.270 nan 0.000 0.475 130 G N 1.150 109.666 108.800 -0.473 0.000 2.171 130 G HA2 -0.284 3.676 3.960 0.001 0.000 0.238 130 G HA3 -0.284 3.676 3.960 0.001 0.000 0.238 130 G C -0.160 174.468 174.900 -0.452 0.000 1.039 130 G CA 0.160 45.017 45.100 -0.405 0.000 0.759 130 G HN 0.575 nan 8.290 nan 0.000 0.501 131 Q N -0.758 118.585 119.800 -0.761 0.000 2.284 131 Q HA 0.569 4.910 4.340 0.001 0.000 0.269 131 Q C -1.038 174.689 176.000 -0.454 0.000 1.026 131 Q CA -1.084 54.522 55.803 -0.327 0.000 0.831 131 Q CB 1.792 30.435 28.738 -0.157 0.000 1.322 131 Q HN 0.350 nan 8.270 nan 0.000 0.419 132 W N 3.120 124.439 121.300 0.031 0.000 2.844 132 W HA 0.553 5.213 4.660 0.001 0.000 0.340 132 W C -0.469 176.084 176.519 0.058 0.000 1.093 132 W CA -0.896 56.474 57.345 0.041 0.000 1.212 132 W CB 1.984 31.478 29.460 0.057 0.000 1.422 132 W HN 0.471 nan 8.180 nan 0.000 0.515 133 R N 2.742 123.400 120.500 0.264 0.000 2.337 133 R HA 0.587 4.927 4.340 0.001 0.000 0.319 133 R C -0.720 175.696 176.300 0.194 0.000 0.954 133 R CA -0.694 55.521 56.100 0.190 0.000 0.840 133 R CB 1.319 31.685 30.300 0.110 0.000 1.164 133 R HN 0.306 nan 8.270 nan 0.000 0.472 134 L N 3.017 124.376 121.223 0.226 0.000 2.365 134 L HA 0.592 4.933 4.340 0.001 0.000 0.273 134 L C 0.281 177.328 176.870 0.294 0.000 1.000 134 L CA -1.007 53.956 54.840 0.205 0.000 0.819 134 L CB 2.075 44.230 42.059 0.160 0.000 1.284 134 L HN 0.408 nan 8.230 nan 0.000 0.418 135 R N 0.697 121.265 120.500 0.114 0.000 2.596 135 R HA 0.504 4.844 4.340 0.001 0.000 0.267 135 R C 0.949 177.038 176.300 -0.351 0.000 1.026 135 R CA -0.220 55.846 56.100 -0.057 0.000 1.087 135 R CB 1.481 31.721 30.300 -0.099 0.000 1.132 135 R HN 0.814 nan 8.270 nan 0.000 0.531 136 A N 1.678 123.858 122.820 -1.068 0.000 1.986 136 A HA -0.215 4.105 4.320 0.001 0.000 0.220 136 A C 1.367 178.655 177.584 -0.493 0.000 1.171 136 A CA 1.848 53.153 52.037 -1.221 0.000 0.640 136 A CB -0.690 17.600 19.000 -1.184 0.000 0.811 136 A HN 0.887 nan 8.150 nan 0.000 0.451 137 N N -0.458 118.030 118.700 -0.353 0.000 2.515 137 N HA -0.088 4.653 4.740 0.001 0.000 0.185 137 N C 0.499 175.904 175.510 -0.175 0.000 1.109 137 N CA 1.047 53.967 53.050 -0.215 0.000 0.903 137 N CB -0.079 38.314 38.487 -0.158 0.000 0.969 137 N HN 0.664 nan 8.380 nan 0.000 0.450 138 E N 0.282 120.367 120.200 -0.191 0.000 2.538 138 E HA -0.002 4.348 4.350 0.001 0.000 0.207 138 E C 1.208 177.690 176.600 -0.197 0.000 1.002 138 E CA -0.041 56.276 56.400 -0.139 0.000 0.952 138 E CB 0.568 30.228 29.700 -0.066 0.000 1.031 138 E HN 0.380 nan 8.360 nan 0.000 0.476 139 T N -1.065 113.264 114.554 -0.375 0.000 2.996 139 T HA -0.175 4.176 4.350 0.001 0.000 0.271 139 T C 1.437 175.995 174.700 -0.237 0.000 1.126 139 T CA 1.020 62.767 62.100 -0.588 0.000 1.103 139 T CB -0.115 67.871 68.868 -1.469 0.000 0.870 139 T HN 0.128 nan 8.240 nan 0.000 0.528 140 E N 0.788 120.901 120.200 -0.146 0.000 2.274 140 E HA -0.092 4.259 4.350 0.001 0.000 0.194 140 E C 2.297 178.887 176.600 -0.015 0.000 0.996 140 E CA 0.735 57.104 56.400 -0.052 0.000 0.840 140 E CB -0.106 29.568 29.700 -0.044 0.000 0.772 140 E HN 0.730 nan 8.360 nan 0.000 0.491 141 Q N 0.175 119.959 119.800 -0.028 0.000 2.364 141 Q HA -0.047 4.293 4.340 0.001 0.000 0.207 141 Q C 0.286 176.284 176.000 -0.003 0.000 0.970 141 Q CA 0.227 56.047 55.803 0.028 0.000 0.888 141 Q CB 0.110 28.898 28.738 0.084 0.000 0.951 141 Q HN 0.088 nan 8.270 nan 0.000 0.469 142 L N 2.275 123.447 121.223 -0.086 0.000 2.369 142 L HA 0.176 4.516 4.340 0.001 0.000 0.279 142 L C -2.208 174.638 176.870 -0.039 0.000 1.108 142 L CA -1.794 52.918 54.840 -0.213 0.000 0.852 142 L CB 0.563 42.438 42.059 -0.307 0.000 1.169 142 L HN -0.163 nan 8.230 nan 0.000 0.452 143 P HA -0.039 nan 4.420 nan 0.000 0.256 143 P C 0.456 177.813 177.300 0.095 0.000 1.173 143 P CA 0.392 63.520 63.100 0.047 0.000 0.768 143 P CB 0.826 32.578 31.700 0.087 0.000 0.758 144 A N 5.512 128.428 122.820 0.161 0.000 1.969 144 A HA -0.303 4.017 4.320 0.001 0.000 0.223 144 A C 1.743 179.473 177.584 0.244 0.000 1.218 144 A CA 2.403 54.571 52.037 0.218 0.000 0.667 144 A CB -0.932 18.130 19.000 0.103 0.000 0.826 144 A HN 0.632 nan 8.150 nan 0.000 0.472 145 E N -1.077 119.204 120.200 0.136 0.000 2.418 145 E HA -0.045 4.306 4.350 0.001 0.000 0.197 145 E C 1.564 178.204 176.600 0.067 0.000 1.026 145 E CA 0.793 57.254 56.400 0.102 0.000 0.862 145 E CB -1.274 28.471 29.700 0.075 0.000 0.799 145 E HN 0.539 nan 8.360 nan 0.000 0.518 146 C N 0.462 119.763 119.300 0.003 0.000 2.429 146 C HA -0.102 4.359 4.460 0.001 0.000 0.277 146 C C 0.546 175.398 174.990 -0.230 0.000 1.262 146 C CA 0.139 59.047 59.018 -0.183 0.000 1.733 146 C CB -0.995 26.458 27.740 -0.479 0.000 2.010 146 C HN 0.393 nan 8.230 nan 0.000 0.483 147 Y N 0.730 120.988 120.300 -0.071 0.000 2.721 147 Y HA 0.327 4.877 4.550 0.001 0.000 0.329 147 Y C 1.521 177.386 175.900 -0.059 0.000 1.211 147 Y CA 1.394 59.447 58.100 -0.080 0.000 1.512 147 Y CB -0.334 38.089 38.460 -0.062 0.000 1.249 147 Y HN 0.524 nan 8.280 nan 0.000 0.549 148 G N 2.115 110.922 108.800 0.011 0.000 2.225 148 G HA2 -0.273 3.688 3.960 0.001 0.000 0.254 148 G HA3 -0.273 3.688 3.960 0.001 0.000 0.254 148 G C 0.742 175.632 174.900 -0.017 0.000 0.988 148 G CA 0.305 45.406 45.100 0.001 0.000 0.625 148 G HN 0.535 nan 8.290 nan 0.000 0.527 149 E N -0.434 119.744 120.200 -0.037 0.000 2.583 149 E HA 0.375 4.725 4.350 0.001 0.000 0.213 149 E C 0.387 176.975 176.600 -0.020 0.000 0.989 149 E CA 0.336 56.726 56.400 -0.017 0.000 0.991 149 E CB 0.468 30.170 29.700 0.003 0.000 1.040 149 E HN 0.475 nan 8.360 nan 0.000 0.481 150 C N 0.812 120.073 119.300 -0.065 0.000 2.889 150 C HA 0.662 5.123 4.460 0.001 0.000 0.307 150 C C 0.240 175.206 174.990 -0.041 0.000 1.251 150 C CA -1.127 57.861 59.018 -0.050 0.000 1.593 150 C CB 1.298 28.950 27.740 -0.147 0.000 2.104 150 C HN 0.322 nan 8.230 nan 0.000 0.476 151 I N 0.244 120.825 120.570 0.019 0.000 2.822 151 I HA 0.895 5.066 4.170 0.001 0.000 0.312 151 I C -0.647 175.499 176.117 0.049 0.000 1.011 151 I CA -0.555 60.798 61.300 0.089 0.000 1.105 151 I CB 1.412 39.507 38.000 0.158 0.000 1.291 151 I HN 0.396 nan 8.210 nan 0.000 0.474 152 V N 2.919 122.870 119.914 0.063 0.000 2.709 152 V HA 0.591 4.712 4.120 0.001 0.000 0.308 152 V C -0.806 175.354 176.094 0.109 0.000 1.062 152 V CA -0.030 62.278 62.300 0.014 0.000 0.901 152 V CB 2.035 33.765 31.823 -0.155 0.000 1.003 152 V HN 1.007 nan 8.190 nan 0.000 0.425 153 E N 3.191 123.464 120.200 0.122 0.000 2.392 153 E HA 0.372 4.722 4.350 0.001 0.000 0.269 153 E C -1.376 175.296 176.600 0.120 0.000 0.924 153 E CA -0.850 55.652 56.400 0.171 0.000 0.784 153 E CB 2.403 32.222 29.700 0.199 0.000 1.292 153 E HN 0.807 nan 8.360 nan 0.000 0.447 154 Q N 0.483 120.360 119.800 0.127 0.000 2.364 154 Q HA 0.199 4.539 4.340 0.001 0.000 0.267 154 Q C -0.242 175.814 176.000 0.093 0.000 0.999 154 Q CA -0.206 55.655 55.803 0.097 0.000 0.886 154 Q CB 0.660 29.458 28.738 0.099 0.000 1.243 154 Q HN 0.683 nan 8.270 nan 0.000 0.415 155 G N 5.060 113.897 108.800 0.063 0.000 2.372 155 G HA2 0.276 4.237 3.960 0.001 0.000 0.286 155 G HA3 0.276 4.237 3.960 0.001 0.000 0.286 155 G C -0.244 174.631 174.900 -0.042 0.000 1.153 155 G CA -0.525 44.582 45.100 0.012 0.000 0.985 155 G HN 0.557 nan 8.290 nan 0.000 0.429 156 I N 2.701 123.213 120.570 -0.096 0.000 2.371 156 I HA 0.104 4.274 4.170 0.001 0.000 0.290 156 I C -0.104 175.828 176.117 -0.308 0.000 1.028 156 I CA -0.984 60.242 61.300 -0.122 0.000 1.345 156 I CB 1.274 39.211 38.000 -0.105 0.000 1.407 156 I HN 0.371 nan 8.210 nan 0.000 0.501 157 N N 7.819 126.380 118.700 -0.233 0.000 3.298 157 N HA 0.123 4.863 4.740 0.001 0.000 0.292 157 N C -0.260 175.077 175.510 -0.287 0.000 1.271 157 N CA -0.180 52.660 53.050 -0.351 0.000 1.184 157 N CB -0.219 38.148 38.487 -0.200 0.000 1.452 157 N HN 0.365 nan 8.380 nan 0.000 0.534 158 F N -0.771 119.088 119.950 -0.152 0.000 2.496 158 F HA 0.176 4.704 4.527 0.001 0.000 0.344 158 F C 1.646 177.444 175.800 -0.003 0.000 1.155 158 F CA -0.942 57.019 58.000 -0.064 0.000 1.302 158 F CB 0.332 39.281 39.000 -0.086 0.000 1.159 158 F HN 0.065 nan 8.300 nan 0.000 0.595 159 S N -0.127 115.748 115.700 0.291 0.000 2.496 159 S HA 0.519 4.989 4.470 0.001 0.000 0.224 159 S C 0.646 175.447 174.600 0.335 0.000 0.996 159 S CA 0.148 58.482 58.200 0.224 0.000 0.927 159 S CB -0.463 62.828 63.200 0.150 0.000 0.774 159 S HN 1.320 nan 8.310 nan 0.000 0.524 160 G N -0.265 108.799 108.800 0.440 0.000 2.451 160 G HA2 0.513 4.473 3.960 0.001 0.000 0.292 160 G HA3 0.513 4.473 3.960 0.001 0.000 0.292 160 G C -2.287 172.703 174.900 0.150 0.000 1.427 160 G CA -0.900 44.416 45.100 0.361 0.000 0.792 160 G HN 0.162 nan 8.290 nan 0.000 0.498 161 E N -0.955 119.298 120.200 0.088 0.000 2.266 161 E HA 0.630 4.981 4.350 0.001 0.000 0.268 161 E C -0.618 176.020 176.600 0.064 0.000 0.879 161 E CA -1.024 55.361 56.400 -0.024 0.000 0.762 161 E CB 3.035 32.688 29.700 -0.080 0.000 1.199 161 E HN 0.822 nan 8.360 nan 0.000 0.422 162 V N -1.049 118.854 119.914 -0.019 0.000 3.078 162 V HA 0.828 4.949 4.120 0.001 0.000 0.311 162 V C -0.570 175.471 176.094 -0.089 0.000 1.138 162 V CA -0.833 61.429 62.300 -0.064 0.000 1.007 162 V CB 1.811 33.555 31.823 -0.132 0.000 1.045 162 V HN 0.754 nan 8.190 nan 0.000 0.432 163 S N 2.679 118.338 115.700 -0.068 0.000 2.568 163 S HA 0.864 5.335 4.470 0.001 0.000 0.293 163 S C -1.126 173.445 174.600 -0.048 0.000 1.089 163 S CA -0.754 57.393 58.200 -0.089 0.000 0.945 163 S CB 1.875 65.028 63.200 -0.077 0.000 1.077 163 S HN 1.522 nan 8.310 nan 0.000 0.485 164 L N 2.488 123.672 121.223 -0.064 0.000 2.298 164 L HA 0.696 5.036 4.340 0.001 0.000 0.284 164 L C -1.275 175.635 176.870 0.067 0.000 1.013 164 L CA -0.533 54.312 54.840 0.008 0.000 0.824 164 L CB 1.329 43.351 42.059 -0.062 0.000 1.221 164 L HN 0.668 nan 8.230 nan 0.000 0.418 165 V N 5.404 125.425 119.914 0.178 0.000 2.398 165 V HA 0.937 5.057 4.120 0.001 0.000 0.286 165 V C 0.563 176.850 176.094 0.323 0.000 1.026 165 V CA 0.119 62.534 62.300 0.190 0.000 0.868 165 V CB 0.830 32.727 31.823 0.123 0.000 0.982 165 V HN 0.959 nan 8.190 nan 0.000 0.443 166 G N 2.933 111.854 108.800 0.202 0.000 2.721 166 G HA2 0.893 4.853 3.960 0.001 0.000 0.296 166 G HA3 0.893 4.853 3.960 0.001 0.000 0.296 166 G C -1.396 173.446 174.900 -0.097 0.000 1.383 166 G CA -0.121 44.986 45.100 0.010 0.000 0.788 166 G HN 1.085 nan 8.290 nan 0.000 0.500 167 A N -0.548 122.091 122.820 -0.301 0.000 2.587 167 A HA 0.908 5.228 4.320 0.001 0.000 0.293 167 A C -0.765 176.675 177.584 -0.239 0.000 1.087 167 A CA -0.645 51.293 52.037 -0.165 0.000 0.692 167 A CB 2.076 20.986 19.000 -0.150 0.000 1.291 167 A HN 0.953 nan 8.150 nan 0.000 0.407 168 R N 0.801 121.222 120.500 -0.132 0.000 2.628 168 R HA 0.607 4.947 4.340 0.001 0.000 0.288 168 R C 0.008 176.177 176.300 -0.218 0.000 0.980 168 R CA -0.054 55.959 56.100 -0.146 0.000 0.891 168 R CB 1.871 32.145 30.300 -0.044 0.000 1.188 168 R HN 1.111 nan 8.270 nan 0.000 0.450 169 G N 1.575 110.253 108.800 -0.204 0.000 2.488 169 G HA2 0.242 4.202 3.960 0.001 0.000 0.318 169 G HA3 0.242 4.202 3.960 0.001 0.000 0.318 169 G C 0.081 174.855 174.900 -0.210 0.000 1.188 169 G CA -0.687 44.264 45.100 -0.249 0.000 0.944 169 G HN 0.560 nan 8.290 nan 0.000 0.495 170 F N 0.355 120.259 119.950 -0.077 0.000 2.192 170 F HA -0.098 4.429 4.527 0.001 0.000 0.301 170 F C 2.539 178.312 175.800 -0.045 0.000 1.079 170 F CA 1.796 59.758 58.000 -0.063 0.000 1.303 170 F CB 0.059 39.026 39.000 -0.055 0.000 1.024 170 F HN 0.494 nan 8.300 nan 0.000 0.494 171 D N -1.130 119.339 120.400 0.116 0.000 2.336 171 D HA 0.103 4.744 4.640 0.001 0.000 0.229 171 D C 1.908 178.221 176.300 0.022 0.000 1.061 171 D CA 0.878 54.914 54.000 0.061 0.000 0.875 171 D CB -0.423 40.403 40.800 0.044 0.000 0.904 171 D HN 0.350 nan 8.370 nan 0.000 0.525 172 G N 0.224 109.025 108.800 0.001 0.000 2.179 172 G HA2 -0.310 3.650 3.960 0.001 0.000 0.260 172 G HA3 -0.310 3.650 3.960 0.001 0.000 0.260 172 G C 0.446 175.331 174.900 -0.024 0.000 0.977 172 G CA 0.578 45.673 45.100 -0.008 0.000 0.641 172 G HN 0.880 nan 8.290 nan 0.000 0.533 173 S N 0.105 115.782 115.700 -0.038 0.000 2.593 173 S HA 0.707 5.177 4.470 0.001 0.000 0.269 173 S C 0.251 174.786 174.600 -0.109 0.000 1.334 173 S CA 0.936 59.103 58.200 -0.054 0.000 1.015 173 S CB 1.765 64.935 63.200 -0.050 0.000 0.912 173 S HN 1.694 nan 8.310 nan 0.000 0.541 174 T N -1.606 112.862 114.554 -0.143 0.000 2.896 174 T HA 0.757 5.107 4.350 0.001 0.000 0.297 174 T C -0.403 174.045 174.700 -0.420 0.000 1.108 174 T CA -0.491 61.421 62.100 -0.313 0.000 1.004 174 T CB 0.933 69.627 68.868 -0.291 0.000 1.159 174 T HN 1.718 nan 8.240 nan 0.000 0.499 175 V N -1.199 118.303 119.914 -0.687 0.000 3.049 175 V HA 0.924 5.044 4.120 0.001 0.000 0.309 175 V C -1.648 173.906 176.094 -0.899 0.000 1.148 175 V CA -1.354 60.614 62.300 -0.553 0.000 0.990 175 V CB 1.518 33.143 31.823 -0.330 0.000 1.039 175 V HN 0.973 nan 8.190 nan 0.000 0.430 176 F N 0.706 120.548 119.950 -0.180 0.000 2.599 176 F HA 0.781 5.309 4.527 0.001 0.000 0.311 176 F C -0.614 175.052 175.800 -0.223 0.000 1.076 176 F CA -0.760 57.140 58.000 -0.167 0.000 0.937 176 F CB 2.025 40.993 39.000 -0.054 0.000 1.282 176 F HN 0.531 nan 8.300 nan 0.000 0.460 177 Y N 1.238 121.684 120.300 0.243 0.000 2.374 177 Y HA 0.450 5.000 4.550 0.001 0.000 0.322 177 Y C -2.077 173.976 175.900 0.255 0.000 1.275 177 Y CA -2.271 55.968 58.100 0.231 0.000 1.307 177 Y CB 0.274 38.860 38.460 0.209 0.000 1.282 177 Y HN 0.247 nan 8.280 nan 0.000 0.509 178 P HA 0.043 nan 4.420 nan 0.000 0.270 178 P C -0.594 176.851 177.300 0.242 0.000 1.223 178 P CA -0.162 63.097 63.100 0.266 0.000 0.785 178 P CB 0.489 32.327 31.700 0.230 0.000 0.923 179 L N 0.805 122.085 121.223 0.095 0.000 2.483 179 L HA 0.107 4.448 4.340 0.001 0.000 0.276 179 L C 0.734 177.581 176.870 -0.040 0.000 1.213 179 L CA 0.853 55.696 54.840 0.005 0.000 0.843 179 L CB -0.061 41.931 42.059 -0.110 0.000 1.107 179 L HN 0.329 nan 8.230 nan 0.000 0.487 180 T N 1.465 115.997 114.554 -0.035 0.000 2.792 180 T HA 0.324 4.675 4.350 0.001 0.000 0.280 180 T C -0.440 174.198 174.700 -0.104 0.000 0.990 180 T CA -0.575 61.512 62.100 -0.022 0.000 0.960 180 T CB 0.508 69.503 68.868 0.211 0.000 0.939 180 T HN 0.334 nan 8.240 nan 0.000 0.439 181 H N 3.527 122.654 119.070 0.095 0.000 2.690 181 H HA 0.305 4.862 4.556 0.001 0.000 0.314 181 H C -0.126 175.372 175.328 0.283 0.000 1.069 181 H CA -0.118 56.047 56.048 0.194 0.000 1.436 181 H CB 0.692 30.568 29.762 0.190 0.000 1.462 181 H HN 0.585 nan 8.280 nan 0.000 0.511 182 N N 2.494 121.374 118.700 0.301 0.000 2.284 182 N HA 0.278 5.018 4.740 0.001 0.000 0.300 182 N C -1.108 174.245 175.510 -0.262 0.000 1.047 182 N CA -0.769 52.301 53.050 0.033 0.000 0.821 182 N CB 2.224 40.687 38.487 -0.040 0.000 1.337 182 N HN 0.265 nan 8.380 nan 0.000 0.482 183 L N 2.220 123.002 121.223 -0.735 0.000 2.313 183 L HA 0.490 4.830 4.340 0.001 0.000 0.283 183 L C -1.228 175.219 176.870 -0.706 0.000 1.013 183 L CA -0.397 53.868 54.840 -0.958 0.000 0.816 183 L CB 0.542 41.605 42.059 -1.659 0.000 1.236 183 L HN 0.632 nan 8.230 nan 0.000 0.419 184 H N 2.831 121.755 119.070 -0.244 0.000 2.621 184 H HA 0.715 5.271 4.556 0.001 0.000 0.360 184 H C -0.968 174.284 175.328 -0.127 0.000 1.163 184 H CA -0.560 55.405 56.048 -0.138 0.000 1.194 184 H CB 1.645 31.380 29.762 -0.045 0.000 1.649 184 H HN 0.545 nan 8.280 nan 0.000 0.532 185 Q N 1.259 121.052 119.800 -0.010 0.000 2.271 185 Q HA 0.200 4.541 4.340 0.001 0.000 0.268 185 Q C -0.939 175.048 176.000 -0.022 0.000 1.021 185 Q CA -0.713 55.066 55.803 -0.039 0.000 0.802 185 Q CB 2.344 31.023 28.738 -0.098 0.000 1.282 185 Q HN 0.738 nan 8.270 nan 0.000 0.431 186 D N 1.366 121.757 120.400 -0.014 0.000 2.870 186 D HA -0.197 4.443 4.640 0.001 0.000 0.228 186 D C 0.737 177.020 176.300 -0.027 0.000 1.147 186 D CA 1.737 55.721 54.000 -0.027 0.000 0.757 186 D CB -0.824 39.949 40.800 -0.044 0.000 1.091 186 D HN 1.148 nan 8.370 nan 0.000 0.429 187 G N -0.081 108.723 108.800 0.008 0.000 2.168 187 G HA2 -0.336 3.625 3.960 0.001 0.000 0.263 187 G HA3 -0.336 3.625 3.960 0.001 0.000 0.263 187 G C 0.354 175.268 174.900 0.023 0.000 0.977 187 G CA 0.520 45.618 45.100 -0.004 0.000 0.659 187 G HN 0.598 nan 8.290 nan 0.000 0.533 188 I N 0.379 120.986 120.570 0.062 0.000 2.441 188 I HA 0.664 4.834 4.170 0.001 0.000 0.295 188 I C 0.377 176.556 176.117 0.104 0.000 0.994 188 I CA -1.506 59.838 61.300 0.074 0.000 1.144 188 I CB 1.109 39.102 38.000 -0.012 0.000 1.314 188 I HN 0.077 nan 8.210 nan 0.000 0.445 189 L N 8.260 129.546 121.223 0.106 0.000 2.462 189 L HA 0.232 4.573 4.340 0.001 0.000 0.272 189 L C 0.710 177.465 176.870 -0.190 0.000 1.166 189 L CA 0.712 55.431 54.840 -0.203 0.000 0.880 189 L CB 0.156 42.111 42.059 -0.172 0.000 1.142 189 L HN 0.653 nan 8.230 nan 0.000 0.473 190 R N 2.262 122.596 120.500 -0.276 0.000 2.164 190 R HA 0.346 4.686 4.340 0.001 0.000 0.198 190 R C -0.130 176.088 176.300 -0.136 0.000 1.028 190 R CA 0.504 56.484 56.100 -0.199 0.000 1.083 190 R CB -0.043 30.112 30.300 -0.241 0.000 1.026 190 R HN 0.687 nan 8.270 nan 0.000 0.514 191 T N 0.280 114.713 114.554 -0.200 0.000 2.916 191 T HA 0.529 4.879 4.350 0.001 0.000 0.305 191 T C -0.763 173.947 174.700 0.016 0.000 1.119 191 T CA -0.525 61.559 62.100 -0.027 0.000 1.008 191 T CB 2.763 71.673 68.868 0.070 0.000 1.129 191 T HN -0.143 nan 8.240 nan 0.000 0.480 192 S N 1.058 116.853 115.700 0.158 0.000 2.542 192 S HA 0.838 5.308 4.470 0.001 0.000 0.293 192 S C -0.943 173.763 174.600 0.176 0.000 1.089 192 S CA -0.742 57.577 58.200 0.197 0.000 0.961 192 S CB 1.810 65.099 63.200 0.148 0.000 1.062 192 S HN 0.560 nan 8.310 nan 0.000 0.483 193 V N 1.457 121.431 119.914 0.100 0.000 2.686 193 V HA 0.846 4.966 4.120 0.001 0.000 0.306 193 V C -0.530 175.349 176.094 -0.359 0.000 1.065 193 V CA -0.594 61.595 62.300 -0.186 0.000 0.894 193 V CB 1.731 33.377 31.823 -0.296 0.000 1.004 193 V HN 1.034 nan 8.190 nan 0.000 0.424 194 A N 4.238 126.611 122.820 -0.744 0.000 2.365 194 A HA 0.970 5.291 4.320 0.001 0.000 0.318 194 A C -1.351 175.714 177.584 -0.864 0.000 1.091 194 A CA -0.387 51.164 52.037 -0.810 0.000 0.763 194 A CB 1.143 19.179 19.000 -1.608 0.000 1.248 194 A HN 0.602 nan 8.150 nan 0.000 0.442 195 F N 1.859 121.705 119.950 -0.173 0.000 2.492 195 F HA 0.522 5.049 4.527 0.001 0.000 0.327 195 F C -1.238 174.531 175.800 -0.052 0.000 1.079 195 F CA -1.814 56.141 58.000 -0.076 0.000 0.967 195 F CB 1.849 40.836 39.000 -0.022 0.000 1.169 195 F HN 0.432 nan 8.300 nan 0.000 0.472 196 P HA -0.161 nan 4.420 nan 0.000 0.216 196 P C -0.088 177.299 177.300 0.145 0.000 1.150 196 P CA 1.438 64.621 63.100 0.139 0.000 0.837 196 P CB 0.423 32.200 31.700 0.128 0.000 0.786 197 Q N -0.454 119.434 119.800 0.147 0.000 2.327 197 Q HA 0.596 4.936 4.340 0.001 0.000 0.270 197 Q C -0.562 175.495 176.000 0.094 0.000 1.022 197 Q CA -0.687 55.176 55.803 0.100 0.000 0.773 197 Q CB 2.316 31.091 28.738 0.061 0.000 1.251 197 Q HN 0.012 nan 8.270 nan 0.000 0.457 198 A N 3.379 126.250 122.820 0.085 0.000 2.239 198 A HA 0.406 4.726 4.320 0.001 0.000 0.303 198 A C 0.324 177.920 177.584 0.021 0.000 1.114 198 A CA -0.542 51.536 52.037 0.068 0.000 0.871 198 A CB 0.330 19.363 19.000 0.056 0.000 1.201 198 A HN 0.725 nan 8.150 nan 0.000 0.506 199 N N 0.220 118.926 118.700 0.010 0.000 2.440 199 N HA 0.105 4.845 4.740 0.001 0.000 0.265 199 N C 1.095 176.599 175.510 -0.011 0.000 1.239 199 N CA 0.632 53.678 53.050 -0.008 0.000 0.909 199 N CB 1.123 39.609 38.487 -0.002 0.000 1.066 199 N HN 0.586 nan 8.380 nan 0.000 0.474 200 A N 4.370 127.182 122.820 -0.012 0.000 1.933 200 A HA -0.203 4.117 4.320 0.001 0.000 0.218 200 A C 1.929 179.497 177.584 -0.027 0.000 1.175 200 A CA 1.344 53.372 52.037 -0.015 0.000 0.628 200 A CB -0.247 18.747 19.000 -0.011 0.000 0.814 200 A HN 0.740 nan 8.150 nan 0.000 0.444 201 Q N -0.732 119.053 119.800 -0.025 0.000 2.046 201 Q HA -0.153 4.188 4.340 0.001 0.000 0.200 201 Q C 2.216 178.191 176.000 -0.041 0.000 0.975 201 Q CA 1.920 57.705 55.803 -0.030 0.000 0.836 201 Q CB -0.407 28.318 28.738 -0.022 0.000 0.896 201 Q HN 0.832 nan 8.270 nan 0.000 0.428 202 Q N -0.113 119.665 119.800 -0.037 0.000 2.084 202 Q HA -0.264 4.076 4.340 0.001 0.000 0.202 202 Q C 2.077 178.032 176.000 -0.074 0.000 0.978 202 Q CA 1.620 57.395 55.803 -0.048 0.000 0.844 202 Q CB 0.028 28.748 28.738 -0.030 0.000 0.898 202 Q HN 0.346 nan 8.270 nan 0.000 0.426 203 Q N -0.097 119.663 119.800 -0.067 0.000 2.084 203 Q HA -0.143 4.198 4.340 0.001 0.000 0.202 203 Q C 1.788 177.709 176.000 -0.132 0.000 0.978 203 Q CA 1.887 57.635 55.803 -0.091 0.000 0.844 203 Q CB -0.353 28.353 28.738 -0.053 0.000 0.898 203 Q HN 0.452 nan 8.270 nan 0.000 0.426 204 A N 0.618 123.379 122.820 -0.098 0.000 1.902 204 A HA -0.197 4.124 4.320 0.001 0.000 0.217 204 A C 2.168 179.678 177.584 -0.124 0.000 1.181 204 A CA 1.558 53.532 52.037 -0.106 0.000 0.623 204 A CB -0.677 18.284 19.000 -0.065 0.000 0.818 204 A HN 0.415 nan 8.150 nan 0.000 0.443 205 R N -0.417 120.021 120.500 -0.104 0.000 2.073 205 R HA -0.122 4.219 4.340 0.001 0.000 0.234 205 R C 2.374 178.587 176.300 -0.145 0.000 1.134 205 R CA 1.479 57.517 56.100 -0.103 0.000 0.952 205 R CB -0.445 29.807 30.300 -0.081 0.000 0.850 205 R HN 0.446 nan 8.270 nan 0.000 0.433 206 A N 1.191 123.910 122.820 -0.168 0.000 1.883 206 A HA -0.209 4.112 4.320 0.001 0.000 0.217 206 A C 1.918 179.325 177.584 -0.296 0.000 1.186 206 A CA 1.776 53.687 52.037 -0.211 0.000 0.624 206 A CB -0.504 18.372 19.000 -0.206 0.000 0.822 206 A HN 0.519 nan 8.150 nan 0.000 0.444 207 E N -0.818 119.142 120.200 -0.400 0.000 2.153 207 E HA -0.189 4.161 4.350 0.001 0.000 0.194 207 E C 2.062 178.454 176.600 -0.346 0.000 0.988 207 E CA 0.942 56.943 56.400 -0.665 0.000 0.811 207 E CB -0.109 29.095 29.700 -0.828 0.000 0.746 207 E HN 0.715 nan 8.360 nan 0.000 0.466 208 E N 0.726 120.800 120.200 -0.210 0.000 2.106 208 E HA -0.177 4.174 4.350 0.001 0.000 0.192 208 E C 2.045 178.593 176.600 -0.086 0.000 0.984 208 E CA 0.854 57.186 56.400 -0.112 0.000 0.806 208 E CB 0.056 29.706 29.700 -0.083 0.000 0.750 208 E HN 0.289 nan 8.360 nan 0.000 0.458 209 M N 0.089 119.619 119.600 -0.116 0.000 2.086 209 M HA -0.181 4.299 4.480 0.001 0.000 0.261 209 M C 2.449 178.696 176.300 -0.088 0.000 1.067 209 M CA 0.949 56.184 55.300 -0.107 0.000 1.116 209 M CB -0.350 32.156 32.600 -0.157 0.000 1.348 209 M HN 0.137 nan 8.290 nan 0.000 0.407 210 L N 0.031 121.193 121.223 -0.102 0.000 2.141 210 L HA -0.066 4.274 4.340 0.001 0.000 0.209 210 L C 2.392 179.304 176.870 0.070 0.000 1.094 210 L CA 1.741 56.567 54.840 -0.022 0.000 0.763 210 L CB -0.711 41.365 42.059 0.027 0.000 0.908 210 L HN 0.141 nan 8.230 nan 0.000 0.437 211 S N -0.439 115.320 115.700 0.099 0.000 2.368 211 S HA -0.109 4.362 4.470 0.001 0.000 0.224 211 S C 2.109 176.749 174.600 0.066 0.000 1.029 211 S CA 1.020 59.309 58.200 0.148 0.000 0.988 211 S CB -0.431 62.855 63.200 0.144 0.000 0.838 211 S HN 0.647 nan 8.310 nan 0.000 0.462 212 A N 1.530 124.368 122.820 0.029 0.000 1.883 212 A HA -0.101 4.220 4.320 0.001 0.000 0.217 212 A C 2.063 179.657 177.584 0.017 0.000 1.186 212 A CA 1.369 53.418 52.037 0.020 0.000 0.624 212 A CB -0.778 18.229 19.000 0.011 0.000 0.822 212 A HN 0.482 nan 8.150 nan 0.000 0.444 213 I N -0.667 119.906 120.570 0.005 0.000 2.142 213 I HA -0.331 3.839 4.170 0.001 0.000 0.240 213 I C 2.788 178.898 176.117 -0.013 0.000 1.078 213 I CA 1.839 63.135 61.300 -0.007 0.000 1.343 213 I CB -0.366 37.619 38.000 -0.024 0.000 1.046 213 I HN 0.362 nan 8.210 nan 0.000 0.405 214 M N -0.411 119.188 119.600 -0.001 0.000 2.149 214 M HA -0.263 4.218 4.480 0.001 0.000 0.261 214 M C 2.387 178.722 176.300 0.058 0.000 1.064 214 M CA 1.713 57.036 55.300 0.038 0.000 1.102 214 M CB -0.578 32.068 32.600 0.077 0.000 1.369 214 M HN 0.337 nan 8.290 nan 0.000 0.408 215 Q N 0.623 120.449 119.800 0.043 0.000 2.083 215 Q HA -0.204 4.137 4.340 0.001 0.000 0.198 215 Q C 1.825 177.842 176.000 0.027 0.000 0.969 215 Q CA 1.647 57.472 55.803 0.036 0.000 0.838 215 Q CB 0.020 28.779 28.738 0.034 0.000 0.900 215 Q HN 0.457 nan 8.270 nan 0.000 0.436 216 E N 0.594 120.806 120.200 0.020 0.000 2.085 216 E HA -0.145 4.206 4.350 0.001 0.000 0.194 216 E C 1.876 178.482 176.600 0.009 0.000 0.994 216 E CA 1.253 57.660 56.400 0.011 0.000 0.801 216 E CB -0.333 29.369 29.700 0.003 0.000 0.743 216 E HN 0.412 nan 8.360 nan 0.000 0.453 217 L N -0.834 120.396 121.223 0.011 0.000 2.492 217 L HA 0.193 4.534 4.340 0.001 0.000 0.223 217 L C 1.395 178.287 176.870 0.037 0.000 1.132 217 L CA 0.375 55.224 54.840 0.014 0.000 0.850 217 L CB -0.366 41.699 42.059 0.011 0.000 0.966 217 L HN 0.468 nan 8.230 nan 0.000 0.454 218 G N -0.201 108.625 108.800 0.044 0.000 2.221 218 G HA2 -0.359 3.602 3.960 0.001 0.000 0.265 218 G HA3 -0.359 3.602 3.960 0.001 0.000 0.265 218 G C 0.016 174.936 174.900 0.034 0.000 1.041 218 G CA -0.078 45.042 45.100 0.034 0.000 0.807 218 G HN 0.343 nan 8.290 nan 0.000 0.502 219 Y N -0.081 120.166 120.300 -0.088 0.000 2.425 219 Y HA 0.447 4.998 4.550 0.001 0.000 0.331 219 Y C 0.361 176.167 175.900 -0.157 0.000 1.157 219 Y CA -0.075 57.949 58.100 -0.126 0.000 1.372 219 Y CB 1.108 39.492 38.460 -0.127 0.000 1.253 219 Y HN 0.173 nan 8.280 nan 0.000 0.536 220 V N 6.239 125.673 119.914 -0.799 0.000 2.407 220 V HA 0.799 4.920 4.120 0.001 0.000 0.291 220 V C 0.192 175.768 176.094 -0.864 0.000 1.018 220 V CA 0.123 61.972 62.300 -0.751 0.000 0.842 220 V CB 0.641 31.917 31.823 -0.911 0.000 0.996 220 V HN 1.168 nan 8.190 nan 0.000 0.426 221 G N 3.647 112.132 108.800 -0.524 0.000 2.316 221 G HA2 0.115 4.075 3.960 0.001 0.000 0.349 221 G HA3 0.115 4.075 3.960 0.001 0.000 0.349 221 G C -1.207 173.790 174.900 0.161 0.000 1.274 221 G CA -0.426 44.498 45.100 -0.292 0.000 1.018 221 G HN 0.610 nan 8.290 nan 0.000 0.486 222 V N 1.161 121.378 119.914 0.505 0.000 2.607 222 V HA 0.716 4.837 4.120 0.001 0.000 0.289 222 V C 0.648 176.946 176.094 0.340 0.000 1.053 222 V CA 0.226 62.728 62.300 0.336 0.000 0.996 222 V CB 1.430 33.379 31.823 0.210 0.000 0.995 222 V HN 0.903 nan 8.190 nan 0.000 0.476 223 M N 4.099 123.784 119.600 0.142 0.000 2.446 223 M HA 0.792 5.272 4.480 0.001 0.000 0.294 223 M C -1.049 175.215 176.300 -0.060 0.000 1.158 223 M CA -0.520 54.742 55.300 -0.065 0.000 0.899 223 M CB 2.121 34.513 32.600 -0.347 0.000 1.687 223 M HN 0.686 nan 8.290 nan 0.000 0.455 224 A N 4.893 127.636 122.820 -0.127 0.000 2.342 224 A HA 0.781 5.102 4.320 0.001 0.000 0.323 224 A C -1.250 176.188 177.584 -0.243 0.000 1.125 224 A CA -0.751 51.174 52.037 -0.187 0.000 0.785 224 A CB 1.432 20.237 19.000 -0.325 0.000 1.221 224 A HN 0.969 nan 8.150 nan 0.000 0.463 225 M N 2.968 122.439 119.600 -0.216 0.000 2.046 225 M HA 0.340 4.821 4.480 0.001 0.000 0.309 225 M C -1.040 175.098 176.300 -0.270 0.000 0.935 225 M CA -0.056 55.102 55.300 -0.236 0.000 0.915 225 M CB 0.759 33.236 32.600 -0.204 0.000 1.474 225 M HN 0.776 nan 8.290 nan 0.000 0.415 226 E N 3.720 123.729 120.200 -0.318 0.000 2.200 226 E HA 0.397 4.748 4.350 0.001 0.000 0.283 226 E C -1.069 175.276 176.600 -0.425 0.000 1.015 226 E CA -0.456 55.750 56.400 -0.323 0.000 0.819 226 E CB 1.540 31.057 29.700 -0.306 0.000 1.081 226 E HN 0.707 nan 8.360 nan 0.000 0.397 227 C N 2.516 121.581 119.300 -0.391 0.000 2.973 227 C HA 0.596 5.057 4.460 0.001 0.000 0.329 227 C C -0.983 173.760 174.990 -0.412 0.000 1.327 227 C CA -0.817 57.926 59.018 -0.457 0.000 1.632 227 C CB 0.756 28.338 27.740 -0.263 0.000 2.098 227 C HN 0.607 nan 8.230 nan 0.000 0.469 228 F N 0.687 120.543 119.950 -0.157 0.000 2.495 228 F HA 0.570 5.098 4.527 0.001 0.000 0.327 228 F C 0.031 175.814 175.800 -0.029 0.000 1.103 228 F CA -1.137 56.776 58.000 -0.145 0.000 0.949 228 F CB 1.158 40.148 39.000 -0.016 0.000 1.142 228 F HN 0.115 nan 8.300 nan 0.000 0.457 229 V N 2.868 122.914 119.914 0.221 0.000 2.364 229 V HA 0.545 4.665 4.120 0.001 0.000 0.272 229 V C 0.171 176.387 176.094 0.204 0.000 1.036 229 V CA -0.311 62.087 62.300 0.164 0.000 0.880 229 V CB 1.014 32.927 31.823 0.151 0.000 0.991 229 V HN 0.959 nan 8.190 nan 0.000 0.460 230 T N 2.887 117.532 114.554 0.153 0.000 2.773 230 T HA 0.549 4.899 4.350 0.001 0.000 0.278 230 T C -1.937 172.814 174.700 0.086 0.000 1.011 230 T CA -1.557 60.624 62.100 0.135 0.000 1.014 230 T CB 1.982 70.933 68.868 0.138 0.000 1.293 230 T HN 0.378 nan 8.240 nan 0.000 0.554 231 P HA 0.078 nan 4.420 nan 0.000 0.241 231 P C 0.452 177.775 177.300 0.039 0.000 1.191 231 P CA 0.708 63.835 63.100 0.046 0.000 0.771 231 P CB 0.058 31.780 31.700 0.037 0.000 0.929 232 Q N -0.528 119.299 119.800 0.045 0.000 2.219 232 Q HA 0.464 4.804 4.340 0.001 0.000 0.209 232 Q C 0.911 176.931 176.000 0.033 0.000 0.854 232 Q CA 0.259 56.084 55.803 0.037 0.000 0.960 232 Q CB 0.794 29.556 28.738 0.040 0.000 1.116 232 Q HN 0.213 nan 8.270 nan 0.000 0.500 233 G N 0.376 109.199 108.800 0.039 0.000 2.447 233 G HA2 -0.162 3.798 3.960 0.001 0.000 0.220 233 G HA3 -0.162 3.798 3.960 0.001 0.000 0.220 233 G C -1.289 173.631 174.900 0.034 0.000 1.261 233 G CA -1.131 43.985 45.100 0.027 0.000 1.000 233 G HN 0.073 nan 8.290 nan 0.000 0.515 234 L N -0.106 121.118 121.223 0.001 0.000 2.375 234 L HA 0.672 5.012 4.340 0.001 0.000 0.271 234 L C -0.112 176.738 176.870 -0.034 0.000 1.107 234 L CA -0.817 54.014 54.840 -0.015 0.000 0.806 234 L CB 1.057 43.075 42.059 -0.069 0.000 1.146 234 L HN 0.450 nan 8.230 nan 0.000 0.447 235 L N 3.257 124.460 121.223 -0.033 0.000 2.362 235 L HA 0.517 4.858 4.340 0.001 0.000 0.271 235 L C -0.063 176.648 176.870 -0.265 0.000 1.002 235 L CA -0.307 54.488 54.840 -0.075 0.000 0.818 235 L CB 1.903 44.010 42.059 0.079 0.000 1.298 235 L HN 0.339 nan 8.230 nan 0.000 0.420 236 I N 2.105 122.434 120.570 -0.401 0.000 2.474 236 I HA 0.155 4.325 4.170 0.001 0.000 0.287 236 I C 0.911 176.674 176.117 -0.589 0.000 1.048 236 I CA -0.187 60.745 61.300 -0.612 0.000 1.383 236 I CB 1.084 38.461 38.000 -1.040 0.000 1.412 236 I HN 0.699 nan 8.210 nan 0.000 0.531 237 N N 4.918 123.210 118.700 -0.680 0.000 2.324 237 N HA -0.021 4.719 4.740 0.001 0.000 0.192 237 N C -0.082 175.279 175.510 -0.249 0.000 1.046 237 N CA 0.924 53.574 53.050 -0.668 0.000 0.898 237 N CB 0.460 38.272 38.487 -1.124 0.000 1.079 237 N HN 0.781 nan 8.380 nan 0.000 0.456 238 E N -1.307 118.760 120.200 -0.222 0.000 2.447 238 E HA 0.405 4.755 4.350 0.001 0.000 0.279 238 E C -1.466 175.095 176.600 -0.064 0.000 1.053 238 E CA -0.862 55.524 56.400 -0.024 0.000 0.840 238 E CB 1.066 30.732 29.700 -0.057 0.000 1.409 238 E HN 0.047 nan 8.360 nan 0.000 0.461 239 L N 0.115 121.333 121.223 -0.008 0.000 2.319 239 L HA 0.891 5.231 4.340 0.001 0.000 0.267 239 L C -0.845 175.964 176.870 -0.102 0.000 1.011 239 L CA -1.267 53.520 54.840 -0.088 0.000 0.818 239 L CB 2.040 44.061 42.059 -0.063 0.000 1.316 239 L HN 0.803 nan 8.230 nan 0.000 0.432 240 A N 1.868 124.610 122.820 -0.130 0.000 2.385 240 A HA 0.646 4.966 4.320 0.001 0.000 0.290 240 A C -2.571 174.974 177.584 -0.066 0.000 1.094 240 A CA -1.228 50.789 52.037 -0.033 0.000 0.729 240 A CB 1.190 20.227 19.000 0.061 0.000 1.194 240 A HN 0.372 nan 8.150 nan 0.000 0.442 241 P HA 0.290 nan 4.420 nan 0.000 0.219 241 P C -0.584 176.839 177.300 0.205 0.000 1.832 241 P CA 0.118 63.170 63.100 -0.079 0.000 1.014 241 P CB -0.696 30.898 31.700 -0.177 0.000 1.939 242 R N -1.366 119.214 120.500 0.133 0.000 2.979 242 R HA 0.337 4.677 4.340 0.001 0.000 0.286 242 R C -0.790 175.497 176.300 -0.022 0.000 0.972 242 R CA -1.093 55.040 56.100 0.054 0.000 0.828 242 R CB -0.290 30.077 30.300 0.111 0.000 1.368 242 R HN -0.140 nan 8.270 nan 0.000 0.511 243 V N -0.919 118.909 119.914 -0.144 0.000 2.872 243 V HA 0.281 4.401 4.120 0.001 0.000 0.307 243 V C 0.138 176.227 176.094 -0.009 0.000 1.072 243 V CA 0.232 62.437 62.300 -0.159 0.000 1.148 243 V CB 0.451 32.092 31.823 -0.304 0.000 0.954 243 V HN 0.740 nan 8.190 nan 0.000 0.490 244 H N 2.614 121.582 119.070 -0.170 0.000 2.768 244 H HA 0.314 4.871 4.556 0.001 0.000 0.371 244 H C 0.807 175.937 175.328 -0.330 0.000 1.151 244 H CA -0.129 55.829 56.048 -0.150 0.000 1.165 244 H CB 2.249 31.937 29.762 -0.123 0.000 1.722 244 H HN 0.905 nan 8.280 nan 0.000 0.543 245 N N 0.887 119.015 118.700 -0.953 0.000 2.091 245 N HA -0.247 4.493 4.740 0.001 0.000 0.193 245 N C 1.588 176.619 175.510 -0.797 0.000 1.021 245 N CA 2.051 54.442 53.050 -1.098 0.000 0.862 245 N CB 0.135 38.226 38.487 -0.660 0.000 1.018 245 N HN 0.585 nan 8.380 nan 0.000 0.429 246 S N -1.233 114.287 115.700 -0.300 0.000 2.507 246 S HA -0.002 4.468 4.470 0.001 0.000 0.235 246 S C 1.703 176.285 174.600 -0.031 0.000 0.988 246 S CA 0.819 59.014 58.200 -0.009 0.000 0.944 246 S CB -0.101 63.229 63.200 0.217 0.000 0.762 246 S HN 0.397 nan 8.310 nan 0.000 0.526 247 G N 0.019 108.680 108.800 -0.232 0.000 3.042 247 G HA2 0.106 4.066 3.960 0.001 0.000 0.212 247 G HA3 0.106 4.066 3.960 0.001 0.000 0.212 247 G C 0.928 175.490 174.900 -0.563 0.000 1.166 247 G CA -0.191 44.617 45.100 -0.486 0.000 0.767 247 G HN 0.502 nan 8.290 nan 0.000 0.546 248 H N 0.750 119.595 119.070 -0.375 0.000 2.390 248 H HA -0.139 4.418 4.556 0.001 0.000 0.298 248 H C 2.363 177.522 175.328 -0.282 0.000 1.106 248 H CA 0.977 56.814 56.048 -0.352 0.000 1.297 248 H CB -0.485 28.885 29.762 -0.654 0.000 1.375 248 H HN 0.834 nan 8.280 nan 0.000 0.509 249 W N 1.939 123.203 121.300 -0.061 0.000 2.387 249 W HA -0.176 4.484 4.660 0.001 0.000 0.272 249 W C 1.281 177.763 176.519 -0.062 0.000 1.224 249 W CA 1.522 58.848 57.345 -0.032 0.000 1.210 249 W CB -1.396 28.042 29.460 -0.037 0.000 1.125 249 W HN 0.230 nan 8.180 nan 0.000 0.572 250 T N -0.958 113.039 114.554 -0.928 0.000 3.025 250 T HA -0.198 4.152 4.350 0.001 0.000 0.270 250 T C 1.648 176.184 174.700 -0.273 0.000 1.126 250 T CA 1.540 63.084 62.100 -0.926 0.000 1.105 250 T CB -0.489 67.527 68.868 -1.419 0.000 0.884 250 T HN 0.353 nan 8.240 nan 0.000 0.522 251 Q N 1.052 120.784 119.800 -0.114 0.000 2.170 251 Q HA -0.029 4.312 4.340 0.001 0.000 0.203 251 Q C 1.493 177.505 176.000 0.020 0.000 0.976 251 Q CA 1.653 57.465 55.803 0.015 0.000 0.858 251 Q CB -0.121 28.617 28.738 0.000 0.000 0.907 251 Q HN 0.708 nan 8.270 nan 0.000 0.433 252 N N -2.052 116.664 118.700 0.027 0.000 2.210 252 N HA 0.086 4.827 4.740 0.001 0.000 0.203 252 N C 0.797 176.364 175.510 0.094 0.000 1.175 252 N CA 0.361 53.393 53.050 -0.030 0.000 0.894 252 N CB 1.148 39.500 38.487 -0.226 0.000 1.041 252 N HN 0.125 nan 8.380 nan 0.000 0.506 253 G N -0.769 108.164 108.800 0.221 0.000 3.324 253 G HA2 0.611 4.572 3.960 0.001 0.000 0.251 253 G HA3 0.611 4.572 3.960 0.001 0.000 0.251 253 G C -0.058 175.090 174.900 0.413 0.000 1.072 253 G CA 0.001 45.319 45.100 0.364 0.000 0.787 253 G HN 0.288 nan 8.290 nan 0.000 0.537 254 A N -0.047 122.916 122.820 0.238 0.000 2.469 254 A HA 0.663 4.984 4.320 0.001 0.000 0.299 254 A C 1.293 178.971 177.584 0.156 0.000 1.098 254 A CA 0.407 52.586 52.037 0.237 0.000 0.737 254 A CB 1.073 20.174 19.000 0.168 0.000 1.312 254 A HN 0.518 nan 8.150 nan 0.000 0.414 255 S N 0.072 115.862 115.700 0.151 0.000 2.453 255 S HA 0.144 4.615 4.470 0.001 0.000 0.231 255 S C 0.432 175.087 174.600 0.091 0.000 1.005 255 S CA 0.948 59.212 58.200 0.105 0.000 0.949 255 S CB -0.472 62.780 63.200 0.088 0.000 0.774 255 S HN 0.526 nan 8.310 nan 0.000 0.510 256 I N 2.142 122.778 120.570 0.110 0.000 2.512 256 I HA 0.313 4.483 4.170 0.001 0.000 0.287 256 I C -0.075 176.120 176.117 0.131 0.000 1.069 256 I CA -0.691 60.667 61.300 0.097 0.000 1.056 256 I CB 2.378 40.417 38.000 0.064 0.000 1.229 256 I HN 0.215 nan 8.210 nan 0.000 0.429 257 S N 4.041 119.795 115.700 0.090 0.000 2.645 257 S HA 0.165 4.636 4.470 0.001 0.000 0.266 257 S C 1.020 175.626 174.600 0.010 0.000 1.258 257 S CA -0.431 57.779 58.200 0.016 0.000 0.990 257 S CB 1.374 64.632 63.200 0.098 0.000 0.967 257 S HN 0.784 nan 8.310 nan 0.000 0.556 258 Q N 0.282 119.930 119.800 -0.253 0.000 2.181 258 Q HA -0.137 4.203 4.340 0.001 0.000 0.205 258 Q C 1.282 177.118 176.000 -0.273 0.000 0.980 258 Q CA 1.634 57.270 55.803 -0.278 0.000 0.862 258 Q CB -0.760 27.649 28.738 -0.549 0.000 0.905 258 Q HN 0.744 nan 8.270 nan 0.000 0.429 259 F N 1.648 121.609 119.950 0.019 0.000 2.146 259 F HA -0.026 4.501 4.527 0.000 0.000 0.298 259 F C 2.172 178.021 175.800 0.080 0.000 1.096 259 F CA 1.339 59.368 58.000 0.047 0.000 1.275 259 F CB -0.252 38.751 39.000 0.004 0.000 1.008 259 F HN 0.087 nan 8.300 nan 0.000 0.480 260 E N -0.006 120.324 120.200 0.216 0.000 2.106 260 E HA -0.183 4.167 4.350 0.001 0.000 0.192 260 E C 2.119 178.776 176.600 0.096 0.000 0.984 260 E CA 0.771 57.256 56.400 0.141 0.000 0.806 260 E CB -0.327 29.438 29.700 0.110 0.000 0.750 260 E HN 0.190 nan 8.360 nan 0.000 0.458 261 L N 0.558 121.830 121.223 0.082 0.000 2.046 261 L HA -0.193 4.147 4.340 0.001 0.000 0.208 261 L C 2.266 179.158 176.870 0.037 0.000 1.077 261 L CA 1.952 56.815 54.840 0.037 0.000 0.747 261 L CB -0.599 41.481 42.059 0.035 0.000 0.896 261 L HN 0.160 nan 8.230 nan 0.000 0.432 262 H N -1.176 117.893 119.070 -0.002 0.000 2.321 262 H HA -0.113 4.444 4.556 0.001 0.000 0.300 262 H C 2.128 177.467 175.328 0.019 0.000 1.087 262 H CA 2.027 58.078 56.048 0.005 0.000 1.319 262 H CB -0.069 29.714 29.762 0.036 0.000 1.379 262 H HN 0.307 nan 8.280 nan 0.000 0.501 263 L N -0.348 120.919 121.223 0.073 0.000 2.083 263 L HA -0.148 4.193 4.340 0.001 0.000 0.209 263 L C 2.693 179.547 176.870 -0.026 0.000 1.083 263 L CA 1.332 56.186 54.840 0.024 0.000 0.752 263 L CB -0.362 41.755 42.059 0.096 0.000 0.899 263 L HN 0.231 nan 8.230 nan 0.000 0.433 264 R N 0.012 120.501 120.500 -0.019 0.000 2.073 264 R HA -0.151 4.190 4.340 0.001 0.000 0.234 264 R C 2.494 178.753 176.300 -0.068 0.000 1.134 264 R CA 1.506 57.591 56.100 -0.025 0.000 0.952 264 R CB -0.509 29.778 30.300 -0.021 0.000 0.850 264 R HN 0.371 nan 8.270 nan 0.000 0.433 265 A N 1.604 124.333 122.820 -0.152 0.000 1.858 265 A HA -0.157 4.164 4.320 0.001 0.000 0.216 265 A C 2.201 179.591 177.584 -0.324 0.000 1.190 265 A CA 1.691 53.572 52.037 -0.260 0.000 0.617 265 A CB -0.756 18.045 19.000 -0.332 0.000 0.827 265 A HN 0.503 nan 8.150 nan 0.000 0.443 266 I N -1.862 118.516 120.570 -0.320 0.000 2.493 266 I HA -0.099 4.071 4.170 0.001 0.000 0.254 266 I C 1.767 177.955 176.117 0.119 0.000 1.160 266 I CA 1.981 63.167 61.300 -0.189 0.000 1.445 266 I CB -0.634 37.223 38.000 -0.239 0.000 1.086 266 I HN 0.327 nan 8.210 nan 0.000 0.433 267 T N -3.194 111.410 114.554 0.084 0.000 3.105 267 T HA 0.153 4.503 4.350 0.001 0.000 0.253 267 T C 0.601 175.393 174.700 0.154 0.000 1.047 267 T CA 0.240 62.413 62.100 0.121 0.000 0.944 267 T CB -0.371 68.535 68.868 0.064 0.000 1.016 267 T HN 0.438 nan 8.240 nan 0.000 0.544 268 D N 0.116 120.664 120.400 0.247 0.000 2.746 268 D HA -0.110 4.530 4.640 0.001 0.000 0.236 268 D C -0.583 175.776 176.300 0.098 0.000 1.129 268 D CA 0.221 54.364 54.000 0.238 0.000 0.691 268 D CB -1.573 39.346 40.800 0.200 0.000 1.077 268 D HN 0.329 nan 8.370 nan 0.000 0.432 269 L N -0.181 121.076 121.223 0.056 0.000 2.397 269 L HA 0.644 4.984 4.340 0.001 0.000 0.266 269 L C -1.405 175.473 176.870 0.014 0.000 1.040 269 L CA -1.883 52.975 54.840 0.030 0.000 0.800 269 L CB -0.336 41.736 42.059 0.022 0.000 1.324 269 L HN -0.096 nan 8.230 nan 0.000 0.469 270 P HA 0.093 nan 4.420 nan 0.000 0.266 270 P C -0.579 176.708 177.300 -0.021 0.000 1.195 270 P CA -0.012 63.086 63.100 -0.004 0.000 0.768 270 P CB 0.365 32.065 31.700 -0.000 0.000 0.838 271 L N 4.926 126.127 121.223 -0.037 0.000 2.892 271 L HA 0.357 4.698 4.340 0.001 0.000 0.251 271 L C -2.044 174.781 176.870 -0.076 0.000 1.339 271 L CA -1.730 53.070 54.840 -0.067 0.000 0.900 271 L CB -0.003 42.001 42.059 -0.093 0.000 1.246 271 L HN 0.287 nan 8.230 nan 0.000 0.524 272 P HA 0.089 nan 4.420 nan 0.000 0.274 272 P C -0.732 176.521 177.300 -0.078 0.000 1.246 272 P CA -0.495 62.575 63.100 -0.051 0.000 0.795 272 P CB 0.683 32.368 31.700 -0.025 0.000 1.006 273 Q N 1.605 121.364 119.800 -0.068 0.000 2.297 273 Q HA 0.239 4.580 4.340 0.001 0.000 0.267 273 Q C -2.218 173.740 176.000 -0.070 0.000 1.006 273 Q CA -1.450 54.298 55.803 -0.091 0.000 0.896 273 Q CB -0.591 28.122 28.738 -0.042 0.000 1.186 273 Q HN 0.242 nan 8.270 nan 0.000 0.392 274 P HA 0.003 nan 4.420 nan 0.000 0.269 274 P C -1.158 176.173 177.300 0.052 0.000 1.209 274 P CA -0.216 62.868 63.100 -0.027 0.000 0.776 274 P CB 0.680 32.349 31.700 -0.052 0.000 0.876 275 V N 4.060 124.029 119.914 0.090 0.000 2.461 275 V HA 0.200 4.320 4.120 0.001 0.000 0.275 275 V C 0.164 176.362 176.094 0.173 0.000 1.047 275 V CA -0.105 62.263 62.300 0.112 0.000 0.955 275 V CB 1.323 33.200 31.823 0.090 0.000 0.988 275 V HN 0.212 nan 8.190 nan 0.000 0.471 276 V N 5.497 125.527 119.914 0.194 0.000 2.443 276 V HA 0.431 4.551 4.120 0.001 0.000 0.293 276 V C 0.273 176.470 176.094 0.171 0.000 1.021 276 V CA -0.555 61.893 62.300 0.247 0.000 0.848 276 V CB 1.576 33.618 31.823 0.365 0.000 0.998 276 V HN 0.835 nan 8.190 nan 0.000 0.424 277 N N 2.460 121.247 118.700 0.145 0.000 2.454 277 N HA 0.156 4.896 4.740 0.001 0.000 0.177 277 N C 0.317 175.887 175.510 0.099 0.000 1.049 277 N CA 0.459 53.575 53.050 0.110 0.000 0.887 277 N CB 0.407 38.951 38.487 0.094 0.000 1.095 277 N HN 0.572 nan 8.380 nan 0.000 0.446 278 N N 0.387 119.143 118.700 0.094 0.000 2.453 278 N HA 0.469 5.209 4.740 0.001 0.000 0.290 278 N C -2.719 172.797 175.510 0.010 0.000 1.250 278 N CA -1.250 51.840 53.050 0.066 0.000 0.815 278 N CB 1.168 39.689 38.487 0.057 0.000 1.381 278 N HN -0.127 nan 8.380 nan 0.000 0.510 279 P HA 0.351 nan 4.420 nan 0.000 0.276 279 P C -0.717 176.480 177.300 -0.171 0.000 1.244 279 P CA -0.127 62.873 63.100 -0.166 0.000 0.801 279 P CB 0.813 32.508 31.700 -0.010 0.000 1.006 280 S N -0.075 115.436 115.700 -0.314 0.000 2.569 280 S HA 0.640 5.110 4.470 0.001 0.000 0.280 280 S C -1.033 173.473 174.600 -0.158 0.000 1.111 280 S CA -0.545 57.554 58.200 -0.168 0.000 0.887 280 S CB 1.372 64.493 63.200 -0.131 0.000 1.095 280 S HN 0.116 nan 8.310 nan 0.000 0.476 281 V N 3.000 122.919 119.914 0.008 0.000 2.656 281 V HA 0.589 4.709 4.120 0.001 0.000 0.307 281 V C -0.606 175.570 176.094 0.138 0.000 1.051 281 V CA -0.562 61.778 62.300 0.066 0.000 0.893 281 V CB 1.907 33.799 31.823 0.115 0.000 0.999 281 V HN 0.883 nan 8.190 nan 0.000 0.426 282 M N 5.552 125.249 119.600 0.161 0.000 2.253 282 M HA 0.646 5.126 4.480 0.001 0.000 0.314 282 M C -1.876 174.522 176.300 0.163 0.000 1.019 282 M CA -0.534 54.885 55.300 0.198 0.000 0.932 282 M CB 1.620 34.336 32.600 0.194 0.000 1.606 282 M HN 0.589 nan 8.290 nan 0.000 0.430 283 I N 4.444 125.109 120.570 0.158 0.000 2.355 283 I HA 0.296 4.466 4.170 0.001 0.000 0.288 283 I C -0.231 175.975 176.117 0.147 0.000 0.999 283 I CA -0.776 60.599 61.300 0.125 0.000 1.163 283 I CB 1.379 39.419 38.000 0.067 0.000 1.316 283 I HN 0.634 nan 8.210 nan 0.000 0.454 284 N N 6.259 125.037 118.700 0.130 0.000 2.518 284 N HA 0.372 5.112 4.740 0.001 0.000 0.266 284 N C -0.866 174.758 175.510 0.190 0.000 1.196 284 N CA -0.009 53.130 53.050 0.149 0.000 0.947 284 N CB 0.963 39.493 38.487 0.072 0.000 1.098 284 N HN 0.432 nan 8.380 nan 0.000 0.450 285 L N 3.641 124.963 121.223 0.164 0.000 2.265 285 L HA 0.497 4.838 4.340 0.001 0.000 0.289 285 L C -0.202 176.781 176.870 0.189 0.000 1.033 285 L CA -0.396 54.584 54.840 0.234 0.000 0.814 285 L CB 0.765 42.911 42.059 0.145 0.000 1.203 285 L HN 0.349 nan 8.230 nan 0.000 0.423 286 I N 2.846 123.560 120.570 0.240 0.000 2.410 286 I HA 0.345 4.515 4.170 0.001 0.000 0.286 286 I C 1.008 177.224 176.117 0.165 0.000 1.009 286 I CA -0.252 61.124 61.300 0.127 0.000 1.111 286 I CB 1.781 39.789 38.000 0.013 0.000 1.262 286 I HN 0.820 nan 8.210 nan 0.000 0.443 287 G N 3.834 112.716 108.800 0.136 0.000 2.212 287 G HA2 -0.259 3.701 3.960 0.001 0.000 0.267 287 G HA3 -0.259 3.701 3.960 0.001 0.000 0.267 287 G C 0.156 175.174 174.900 0.196 0.000 1.002 287 G CA 0.490 45.673 45.100 0.138 0.000 0.729 287 G HN 0.539 nan 8.290 nan 0.000 0.517 288 S N 0.163 116.028 115.700 0.276 0.000 2.593 288 S HA 0.567 5.037 4.470 0.001 0.000 0.297 288 S C -0.181 174.622 174.600 0.339 0.000 1.112 288 S CA -0.854 57.523 58.200 0.296 0.000 1.043 288 S CB 1.695 65.105 63.200 0.349 0.000 1.054 288 S HN 0.293 nan 8.310 nan 0.000 0.516 289 D N 1.212 121.730 120.400 0.196 0.000 2.329 289 D HA 0.168 4.809 4.640 0.001 0.000 0.246 289 D C 0.099 176.306 176.300 -0.154 0.000 1.111 289 D CA -0.249 53.804 54.000 0.088 0.000 0.941 289 D CB 1.287 42.066 40.800 -0.035 0.000 1.169 289 D HN 0.242 nan 8.370 nan 0.000 0.441 290 V N 2.212 121.736 119.914 -0.650 0.000 2.763 290 V HA 0.041 4.161 4.120 0.001 0.000 0.306 290 V C -0.112 175.233 176.094 -1.249 0.000 1.059 290 V CA 0.164 61.733 62.300 -1.219 0.000 1.138 290 V CB 0.897 31.516 31.823 -2.006 0.000 0.940 290 V HN 0.505 nan 8.190 nan 0.000 0.489 291 N N 4.786 122.331 118.700 -1.926 0.000 2.549 291 N HA 0.269 5.010 4.740 0.001 0.000 0.281 291 N C -0.187 174.468 175.510 -1.425 0.000 1.084 291 N CA -0.419 51.706 53.050 -1.542 0.000 0.862 291 N CB 0.935 38.375 38.487 -1.745 0.000 1.333 291 N HN 0.644 nan 8.380 nan 0.000 0.523 292 Y N 0.910 120.815 120.300 -0.658 0.000 2.680 292 Y HA -0.072 4.478 4.550 0.001 0.000 0.303 292 Y C 1.240 176.948 175.900 -0.321 0.000 1.166 292 Y CA 0.245 58.095 58.100 -0.417 0.000 1.344 292 Y CB 0.316 38.605 38.460 -0.286 0.000 1.002 292 Y HN 0.493 nan 8.280 nan 0.000 0.537 293 D N -0.815 119.394 120.400 -0.319 0.000 2.263 293 D HA -0.182 4.459 4.640 0.001 0.000 0.208 293 D C 1.556 177.839 176.300 -0.030 0.000 0.971 293 D CA 0.892 54.791 54.000 -0.170 0.000 0.867 293 D CB -0.255 40.427 40.800 -0.197 0.000 0.929 293 D HN 0.388 nan 8.370 nan 0.000 0.492 294 W N 0.744 122.008 121.300 -0.060 0.000 2.374 294 W HA -0.025 4.635 4.660 0.000 0.000 0.288 294 W C 1.844 178.345 176.519 -0.030 0.000 1.218 294 W CA 0.252 57.564 57.345 -0.056 0.000 1.245 294 W CB -1.054 28.356 29.460 -0.084 0.000 1.126 294 W HN 0.088 nan 8.180 nan 0.000 0.545 295 L N 0.413 121.750 121.223 0.190 0.000 2.633 295 L HA -0.096 4.244 4.340 0.001 0.000 0.235 295 L C 1.915 178.816 176.870 0.052 0.000 1.163 295 L CA 0.847 55.753 54.840 0.109 0.000 0.859 295 L CB -0.721 41.398 42.059 0.100 0.000 0.973 295 L HN -0.044 nan 8.230 nan 0.000 0.451 296 K N 0.413 120.844 120.400 0.052 0.000 2.432 296 K HA 0.071 4.392 4.320 0.001 0.000 0.196 296 K C 0.375 176.989 176.600 0.022 0.000 1.038 296 K CA 0.448 56.749 56.287 0.023 0.000 0.986 296 K CB 0.129 32.640 32.500 0.019 0.000 0.782 296 K HN 0.284 nan 8.250 nan 0.000 0.485 297 L N 2.794 124.039 121.223 0.037 0.000 2.259 297 L HA 0.188 4.528 4.340 0.001 0.000 0.288 297 L C -1.526 175.340 176.870 -0.007 0.000 1.051 297 L CA -1.686 53.165 54.840 0.019 0.000 0.824 297 L CB 0.954 43.032 42.059 0.031 0.000 1.206 297 L HN -0.114 nan 8.230 nan 0.000 0.429 298 P HA -0.143 nan 4.420 nan 0.000 0.225 298 P C 1.238 178.487 177.300 -0.085 0.000 1.148 298 P CA 1.068 64.141 63.100 -0.045 0.000 0.779 298 P CB 0.490 32.173 31.700 -0.028 0.000 0.780 299 L N -0.908 120.276 121.223 -0.064 0.000 2.558 299 L HA 0.082 4.422 4.340 0.001 0.000 0.225 299 L C 0.790 177.582 176.870 -0.130 0.000 1.128 299 L CA -0.074 54.721 54.840 -0.075 0.000 0.868 299 L CB 0.040 42.089 42.059 -0.017 0.000 1.006 299 L HN -0.244 nan 8.230 nan 0.000 0.454 300 V N 0.824 120.673 119.914 -0.107 0.000 2.470 300 V HA 0.001 4.122 4.120 0.001 0.000 0.276 300 V C 0.127 176.111 176.094 -0.183 0.000 1.040 300 V CA -0.241 62.016 62.300 -0.071 0.000 1.008 300 V CB 0.382 32.208 31.823 0.006 0.000 0.990 300 V HN 0.148 nan 8.190 nan 0.000 0.477 301 H N 5.186 124.314 119.070 0.096 0.000 2.640 301 H HA 0.300 4.856 4.556 0.001 0.000 0.297 301 H C -0.181 175.167 175.328 0.034 0.000 1.073 301 H CA -0.657 55.436 56.048 0.074 0.000 1.305 301 H CB 1.670 31.547 29.762 0.191 0.000 1.404 301 H HN 0.481 nan 8.280 nan 0.000 0.459 302 L N 5.078 126.315 121.223 0.024 0.000 2.305 302 L HA 0.181 4.521 4.340 0.001 0.000 0.281 302 L C -0.302 176.417 176.870 -0.251 0.000 1.085 302 L CA -0.112 54.731 54.840 0.006 0.000 0.813 302 L CB 0.410 42.547 42.059 0.130 0.000 1.157 302 L HN 0.543 nan 8.230 nan 0.000 0.436 303 H N 5.915 124.914 119.070 -0.117 0.000 2.791 303 H HA 0.105 4.661 4.556 0.000 0.000 0.272 303 H C -1.374 173.835 175.328 -0.199 0.000 1.188 303 H CA -0.396 55.523 56.048 -0.216 0.000 1.436 303 H CB 0.625 29.940 29.762 -0.745 0.000 1.467 303 H HN 0.718 nan 8.280 nan 0.000 0.500 304 W N 3.655 124.872 121.300 -0.138 0.000 2.351 304 W HA 0.056 4.717 4.660 0.000 0.000 0.311 304 W C -0.728 175.805 176.519 0.025 0.000 1.168 304 W CA -0.436 56.821 57.345 -0.147 0.000 1.200 304 W CB 0.829 30.265 29.460 -0.039 0.000 1.221 304 W HN 0.540 nan 8.180 nan 0.000 0.519 305 Y N 2.507 122.407 120.300 -0.668 0.000 2.482 305 Y HA -0.024 4.527 4.550 0.001 0.000 0.270 305 Y C 1.184 176.873 175.900 -0.351 0.000 1.152 305 Y CA 0.079 57.934 58.100 -0.409 0.000 1.292 305 Y CB -0.742 37.512 38.460 -0.343 0.000 1.070 305 Y HN 0.484 nan 8.280 nan 0.000 0.528 306 D N 0.556 120.725 120.400 -0.386 0.000 2.723 306 D HA -0.207 4.433 4.640 0.001 0.000 0.236 306 D C -0.323 175.949 176.300 -0.046 0.000 1.138 306 D CA 0.667 54.653 54.000 -0.024 0.000 0.676 306 D CB -0.784 40.080 40.800 0.106 0.000 1.069 306 D HN 0.309 nan 8.370 nan 0.000 0.430 307 K N 0.235 120.531 120.400 -0.172 0.000 2.185 307 K HA 0.351 4.671 4.320 0.001 0.000 0.240 307 K C 0.204 176.794 176.600 -0.016 0.000 0.983 307 K CA -0.924 55.323 56.287 -0.066 0.000 0.873 307 K CB 0.914 33.378 32.500 -0.059 0.000 1.118 307 K HN 0.287 nan 8.250 nan 0.000 0.441 308 E N 0.972 121.186 120.200 0.023 0.000 2.376 308 E HA 0.061 4.411 4.350 0.001 0.000 0.266 308 E C -0.886 175.750 176.600 0.059 0.000 1.009 308 E CA -0.493 55.941 56.400 0.056 0.000 0.902 308 E CB 0.671 30.401 29.700 0.050 0.000 0.972 308 E HN 0.058 nan 8.360 nan 0.000 0.439 309 V N 5.677 125.652 119.914 0.102 0.000 2.408 309 V HA 0.314 4.434 4.120 0.001 0.000 0.267 309 V C 0.337 176.487 176.094 0.094 0.000 1.047 309 V CA -0.121 62.250 62.300 0.118 0.000 0.937 309 V CB -0.350 31.595 31.823 0.202 0.000 0.999 309 V HN 0.806 nan 8.190 nan 0.000 0.472 310 R N 4.137 124.684 120.500 0.079 0.000 2.710 310 R HA 0.603 4.943 4.340 0.001 0.000 0.270 310 R C -3.332 173.005 176.300 0.063 0.000 1.021 310 R CA -2.190 53.950 56.100 0.066 0.000 0.889 310 R CB 1.247 31.579 30.300 0.054 0.000 1.243 310 R HN 0.277 nan 8.270 nan 0.000 0.464 311 P HA -0.003 nan 4.420 nan 0.000 0.263 311 P C 0.555 177.874 177.300 0.032 0.000 1.175 311 P CA 2.055 65.181 63.100 0.044 0.000 0.761 311 P CB 0.502 32.221 31.700 0.033 0.000 0.794 312 G N 1.827 110.642 108.800 0.026 0.000 2.168 312 G HA2 -0.255 3.705 3.960 0.001 0.000 0.263 312 G HA3 -0.255 3.705 3.960 0.001 0.000 0.263 312 G C 0.215 175.129 174.900 0.023 0.000 0.977 312 G CA -0.253 44.852 45.100 0.008 0.000 0.659 312 G HN 0.507 nan 8.290 nan 0.000 0.533 313 R N 0.327 120.854 120.500 0.045 0.000 2.404 313 R HA 0.416 4.757 4.340 0.001 0.000 0.291 313 R C 0.296 176.638 176.300 0.071 0.000 1.025 313 R CA -0.534 55.601 56.100 0.059 0.000 0.991 313 R CB 0.846 31.179 30.300 0.055 0.000 1.053 313 R HN 0.295 nan 8.270 nan 0.000 0.479 314 K N 1.750 122.211 120.400 0.102 0.000 2.316 314 K HA 0.111 4.432 4.320 0.001 0.000 0.289 314 K C 1.132 177.813 176.600 0.135 0.000 1.070 314 K CA -0.194 56.181 56.287 0.147 0.000 0.928 314 K CB 0.947 33.588 32.500 0.235 0.000 1.039 314 K HN 0.414 nan 8.250 nan 0.000 0.480 315 V N -0.510 119.361 119.914 -0.071 0.000 3.643 315 V HA 0.413 4.533 4.120 0.001 0.000 0.280 315 V C 0.630 176.034 176.094 -1.149 0.000 1.351 315 V CA 0.359 62.385 62.300 -0.456 0.000 1.073 315 V CB 0.125 31.679 31.823 -0.449 0.000 0.863 315 V HN 0.836 nan 8.190 nan 0.000 0.436 316 G N 0.032 108.164 108.800 -1.112 0.000 2.317 316 G HA2 0.495 4.455 3.960 0.001 0.000 0.293 316 G HA3 0.495 4.455 3.960 0.001 0.000 0.293 316 G C -1.417 173.211 174.900 -0.454 0.000 1.287 316 G CA -0.146 44.080 45.100 -1.458 0.000 0.850 316 G HN 1.029 nan 8.290 nan 0.000 0.515 317 H N -1.661 117.296 119.070 -0.187 0.000 3.017 317 H HA 0.714 5.270 4.556 0.001 0.000 0.346 317 H C -1.785 173.601 175.328 0.097 0.000 1.286 317 H CA -1.005 55.068 56.048 0.043 0.000 1.120 317 H CB 1.514 31.396 29.762 0.199 0.000 1.860 317 H HN 0.574 nan 8.280 nan 0.000 0.542 318 L N 2.071 123.400 121.223 0.176 0.000 2.356 318 L HA 0.371 4.711 4.340 0.001 0.000 0.277 318 L C -0.621 176.419 176.870 0.283 0.000 0.996 318 L CA -0.812 54.102 54.840 0.123 0.000 0.822 318 L CB 1.711 43.720 42.059 -0.084 0.000 1.256 318 L HN 0.477 nan 8.230 nan 0.000 0.413 319 N N 3.431 122.361 118.700 0.383 0.000 2.361 319 N HA 0.765 5.506 4.740 0.001 0.000 0.302 319 N C -1.259 174.448 175.510 0.328 0.000 1.074 319 N CA -0.474 52.802 53.050 0.376 0.000 0.850 319 N CB 2.394 41.138 38.487 0.428 0.000 1.228 319 N HN 0.246 nan 8.380 nan 0.000 0.491 320 L N 0.385 121.751 121.223 0.239 0.000 2.436 320 L HA 0.614 4.954 4.340 0.001 0.000 0.268 320 L C 0.184 177.136 176.870 0.137 0.000 0.974 320 L CA -0.499 54.449 54.840 0.179 0.000 0.826 320 L CB 1.845 43.951 42.059 0.079 0.000 1.291 320 L HN 0.453 nan 8.230 nan 0.000 0.406 321 T N 0.729 115.368 114.554 0.142 0.000 2.956 321 T HA 0.736 5.086 4.350 0.001 0.000 0.312 321 T C -2.031 172.705 174.700 0.060 0.000 1.151 321 T CA -0.292 61.859 62.100 0.084 0.000 1.024 321 T CB 1.683 70.630 68.868 0.131 0.000 1.140 321 T HN 0.801 nan 8.240 nan 0.000 0.473 322 D N 0.488 120.894 120.400 0.010 0.000 2.728 322 D HA 0.371 5.011 4.640 0.001 0.000 0.249 322 D C 0.849 177.145 176.300 -0.007 0.000 1.225 322 D CA -0.169 53.836 54.000 0.007 0.000 0.748 322 D CB 1.099 41.887 40.800 -0.020 0.000 1.326 322 D HN 0.383 nan 8.370 nan 0.000 0.426 323 S N 0.595 116.301 115.700 0.010 0.000 2.436 323 S HA -0.007 4.464 4.470 0.001 0.000 0.228 323 S C 0.677 175.274 174.600 -0.004 0.000 1.014 323 S CA 0.152 58.362 58.200 0.016 0.000 0.950 323 S CB -0.021 63.197 63.200 0.029 0.000 0.784 323 S HN 0.540 nan 8.310 nan 0.000 0.504 324 D N 2.655 123.041 120.400 -0.024 0.000 2.347 324 D HA 0.130 4.770 4.640 0.001 0.000 0.235 324 D C 0.883 177.125 176.300 -0.096 0.000 1.149 324 D CA 0.136 54.113 54.000 -0.038 0.000 0.850 324 D CB 1.500 42.281 40.800 -0.032 0.000 1.061 324 D HN 0.300 nan 8.370 nan 0.000 0.487 325 T N 0.155 114.642 114.554 -0.113 0.000 3.035 325 T HA -0.116 4.235 4.350 0.001 0.000 0.268 325 T C 1.744 176.299 174.700 -0.242 0.000 1.109 325 T CA 0.712 62.651 62.100 -0.268 0.000 1.119 325 T CB -0.044 68.697 68.868 -0.212 0.000 0.900 325 T HN 0.288 nan 8.240 nan 0.000 0.503 326 S N 1.877 117.507 115.700 -0.117 0.000 2.402 326 S HA -0.005 4.465 4.470 0.001 0.000 0.229 326 S C 2.127 176.671 174.600 -0.093 0.000 1.021 326 S CA 0.183 58.335 58.200 -0.081 0.000 0.974 326 S CB -0.328 62.848 63.200 -0.040 0.000 0.800 326 S HN 0.426 nan 8.310 nan 0.000 0.484 327 R N 1.120 121.562 120.500 -0.098 0.000 2.081 327 R HA 0.066 4.406 4.340 0.001 0.000 0.235 327 R C 2.295 178.527 176.300 -0.112 0.000 1.131 327 R CA 1.137 57.188 56.100 -0.082 0.000 0.960 327 R CB -0.816 29.438 30.300 -0.076 0.000 0.856 327 R HN 0.431 nan 8.270 nan 0.000 0.436 328 L N 0.357 121.460 121.223 -0.199 0.000 2.017 328 L HA -0.174 4.166 4.340 0.001 0.000 0.208 328 L C 2.813 179.573 176.870 -0.184 0.000 1.073 328 L CA 1.958 56.652 54.840 -0.243 0.000 0.745 328 L CB -1.200 40.562 42.059 -0.496 0.000 0.894 328 L HN 0.348 nan 8.230 nan 0.000 0.432 329 T N -2.197 112.235 114.554 -0.203 0.000 2.788 329 T HA -0.133 4.217 4.350 0.001 0.000 0.268 329 T C 1.953 176.633 174.700 -0.032 0.000 1.044 329 T CA 1.002 63.055 62.100 -0.077 0.000 1.139 329 T CB -0.378 68.467 68.868 -0.039 0.000 0.867 329 T HN 0.315 nan 8.240 nan 0.000 0.454 330 A N 1.643 124.436 122.820 -0.044 0.000 1.902 330 A HA -0.021 4.299 4.320 0.001 0.000 0.217 330 A C 2.646 180.223 177.584 -0.012 0.000 1.181 330 A CA 2.080 54.105 52.037 -0.020 0.000 0.623 330 A CB -1.436 17.549 19.000 -0.024 0.000 0.818 330 A HN 0.555 nan 8.150 nan 0.000 0.443 331 T N 0.451 114.991 114.554 -0.024 0.000 2.777 331 T HA -0.051 4.300 4.350 0.001 0.000 0.266 331 T C 1.816 176.519 174.700 0.004 0.000 1.040 331 T CA 1.344 63.438 62.100 -0.009 0.000 1.141 331 T CB -0.370 68.487 68.868 -0.019 0.000 0.868 331 T HN 0.348 nan 8.240 nan 0.000 0.444 332 L N 0.786 122.012 121.223 0.005 0.000 2.012 332 L HA -0.143 4.198 4.340 0.001 0.000 0.210 332 L C 2.809 179.702 176.870 0.039 0.000 1.073 332 L CA 1.588 56.447 54.840 0.031 0.000 0.748 332 L CB -0.513 41.578 42.059 0.054 0.000 0.891 332 L HN 0.349 nan 8.230 nan 0.000 0.431 333 E N 0.301 120.521 120.200 0.033 0.000 2.070 333 E HA -0.290 4.060 4.350 0.001 0.000 0.197 333 E C 2.140 178.763 176.600 0.038 0.000 1.004 333 E CA 1.427 57.850 56.400 0.037 0.000 0.805 333 E CB -0.048 29.669 29.700 0.029 0.000 0.744 333 E HN 0.482 nan 8.360 nan 0.000 0.451 334 A N 0.537 123.375 122.820 0.031 0.000 2.015 334 A HA -0.085 4.235 4.320 0.001 0.000 0.219 334 A C 2.121 179.737 177.584 0.052 0.000 1.163 334 A CA 0.760 52.819 52.037 0.037 0.000 0.646 334 A CB -0.381 18.637 19.000 0.030 0.000 0.806 334 A HN 0.321 nan 8.150 nan 0.000 0.448 335 L N -0.613 120.637 121.223 0.045 0.000 2.179 335 L HA -0.086 4.254 4.340 0.001 0.000 0.208 335 L C 2.287 179.189 176.870 0.054 0.000 1.096 335 L CA 0.596 55.463 54.840 0.046 0.000 0.779 335 L CB -0.375 41.675 42.059 -0.015 0.000 0.922 335 L HN 0.383 nan 8.230 nan 0.000 0.443 336 I N 0.694 121.298 120.570 0.057 0.000 2.113 336 I HA -0.273 3.898 4.170 0.001 0.000 0.242 336 I C -0.433 175.727 176.117 0.072 0.000 1.064 336 I CA 1.649 62.992 61.300 0.071 0.000 1.320 336 I CB -1.589 36.455 38.000 0.074 0.000 1.028 336 I HN 0.267 nan 8.210 nan 0.000 0.406 337 P HA -0.042 nan 4.420 nan 0.000 0.242 337 P C 1.271 178.610 177.300 0.065 0.000 1.197 337 P CA 1.180 64.314 63.100 0.057 0.000 0.765 337 P CB -0.034 31.692 31.700 0.044 0.000 0.936 338 L N -1.867 119.416 121.223 0.099 0.000 2.640 338 L HA 0.263 4.603 4.340 0.001 0.000 0.230 338 L C 0.908 177.924 176.870 0.244 0.000 1.123 338 L CA 0.062 54.997 54.840 0.158 0.000 0.900 338 L CB -0.077 42.152 42.059 0.283 0.000 1.146 338 L HN -0.079 nan 8.230 nan 0.000 0.484 339 L N -0.939 120.350 121.223 0.109 0.000 2.309 339 L HA 0.557 4.897 4.340 0.001 0.000 0.261 339 L C -2.306 174.571 176.870 0.012 0.000 1.021 339 L CA -1.952 52.870 54.840 -0.030 0.000 0.823 339 L CB 1.892 43.783 42.059 -0.280 0.000 1.366 339 L HN -0.264 nan 8.230 nan 0.000 0.423 340 P HA 0.096 nan 4.420 nan 0.000 0.270 340 P C -2.185 175.289 177.300 0.290 0.000 1.223 340 P CA -0.948 62.272 63.100 0.199 0.000 0.785 340 P CB 0.087 31.978 31.700 0.317 0.000 0.923 341 P HA -0.173 nan 4.420 nan 0.000 0.218 341 P C 1.182 178.579 177.300 0.162 0.000 1.148 341 P CA 1.310 64.503 63.100 0.156 0.000 0.822 341 P CB -0.235 31.525 31.700 0.101 0.000 0.784 342 E N -1.156 119.142 120.200 0.165 0.000 2.472 342 E HA -0.179 4.171 4.350 0.001 0.000 0.200 342 E C 1.021 177.612 176.600 -0.015 0.000 1.046 342 E CA 1.045 57.468 56.400 0.039 0.000 0.871 342 E CB -0.997 28.677 29.700 -0.043 0.000 0.806 342 E HN 0.336 nan 8.360 nan 0.000 0.533 343 Y N 1.120 121.441 120.300 0.035 0.000 2.475 343 Y HA 0.222 4.772 4.550 0.001 0.000 0.289 343 Y C 2.704 178.626 175.900 0.038 0.000 1.121 343 Y CA 0.626 58.744 58.100 0.029 0.000 1.257 343 Y CB -0.268 38.210 38.460 0.030 0.000 1.026 343 Y HN 0.159 nan 8.280 nan 0.000 0.555 344 A N 0.226 123.162 122.820 0.193 0.000 1.892 344 A HA -0.299 4.021 4.320 0.001 0.000 0.218 344 A C 2.468 180.124 177.584 0.119 0.000 1.188 344 A CA 2.547 54.668 52.037 0.140 0.000 0.631 344 A CB -1.214 17.853 19.000 0.111 0.000 0.822 344 A HN 0.495 nan 8.150 nan 0.000 0.447 345 S N -0.578 115.176 115.700 0.088 0.000 2.368 345 S HA 0.001 4.472 4.470 0.001 0.000 0.225 345 S C 2.028 176.704 174.600 0.127 0.000 1.030 345 S CA 1.460 59.713 58.200 0.090 0.000 0.999 345 S CB -1.197 62.032 63.200 0.047 0.000 0.844 345 S HN 0.747 nan 8.310 nan 0.000 0.459 346 G N 1.085 109.934 108.800 0.081 0.000 2.408 346 G HA2 -0.051 3.910 3.960 0.001 0.000 0.217 346 G HA3 -0.051 3.910 3.960 0.001 0.000 0.217 346 G C 1.435 176.483 174.900 0.246 0.000 1.150 346 G CA 0.828 45.984 45.100 0.094 0.000 0.776 346 G HN 0.471 nan 8.290 nan 0.000 0.542 347 V N 1.062 121.095 119.914 0.198 0.000 2.358 347 V HA -0.096 4.024 4.120 0.001 0.000 0.246 347 V C 2.756 178.970 176.094 0.199 0.000 1.047 347 V CA 1.328 63.745 62.300 0.195 0.000 1.035 347 V CB -0.293 31.622 31.823 0.152 0.000 0.658 347 V HN 0.380 nan 8.190 nan 0.000 0.452 348 I N -1.181 119.500 120.570 0.185 0.000 2.315 348 I HA -0.262 3.908 4.170 0.001 0.000 0.248 348 I C 2.285 178.514 176.117 0.187 0.000 1.117 348 I CA 1.895 63.289 61.300 0.158 0.000 1.404 348 I CB -0.343 37.734 38.000 0.128 0.000 1.071 348 I HN 0.513 nan 8.210 nan 0.000 0.419 349 W N 1.913 123.235 121.300 0.037 0.000 2.338 349 W HA -0.275 4.386 4.660 0.000 0.000 0.304 349 W C 2.517 179.046 176.519 0.017 0.000 1.212 349 W CA 2.045 59.403 57.345 0.021 0.000 1.264 349 W CB -0.139 29.331 29.460 0.017 0.000 1.142 349 W HN 0.093 nan 8.180 nan 0.000 0.512 350 A N 0.080 123.046 122.820 0.244 0.000 1.873 350 A HA -0.250 4.070 4.320 0.001 0.000 0.215 350 A C 1.933 179.524 177.584 0.012 0.000 1.186 350 A CA 1.832 53.868 52.037 -0.002 0.000 0.616 350 A CB -1.039 18.104 19.000 0.239 0.000 0.823 350 A HN 0.510 nan 8.150 nan 0.000 0.442 351 Q N -0.201 119.681 119.800 0.137 0.000 2.135 351 Q HA -0.153 4.187 4.340 0.001 0.000 0.204 351 Q C 2.412 178.484 176.000 0.121 0.000 0.981 351 Q CA 1.697 57.621 55.803 0.202 0.000 0.856 351 Q CB -0.222 28.590 28.738 0.123 0.000 0.902 351 Q HN 0.660 nan 8.270 nan 0.000 0.425 352 S N 0.578 116.255 115.700 -0.039 0.000 2.382 352 S HA -0.113 4.357 4.470 0.001 0.000 0.228 352 S C 1.631 176.086 174.600 -0.242 0.000 1.027 352 S CA 0.894 59.022 58.200 -0.120 0.000 0.991 352 S CB -0.027 63.104 63.200 -0.115 0.000 0.823 352 S HN 0.270 nan 8.310 nan 0.000 0.469 353 K N 0.641 120.763 120.400 -0.463 0.000 2.211 353 K HA -0.058 4.262 4.320 0.001 0.000 0.204 353 K C 0.531 176.769 176.600 -0.603 0.000 1.047 353 K CA 0.931 56.836 56.287 -0.636 0.000 0.935 353 K CB -0.380 31.588 32.500 -0.887 0.000 0.728 353 K HN 0.449 nan 8.250 nan 0.000 0.452 354 F N 0.386 120.313 119.950 -0.039 0.000 2.713 354 F HA 0.278 4.805 4.527 0.001 0.000 0.294 354 F C 1.101 176.881 175.800 -0.035 0.000 1.152 354 F CA -0.419 57.582 58.000 0.002 0.000 1.385 354 F CB 0.570 39.583 39.000 0.022 0.000 0.981 354 F HN -0.090 nan 8.300 nan 0.000 0.514 355 G N 0.000 108.811 108.800 0.018 0.000 5.446 355 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 355 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 355 G CA 0.000 45.104 45.100 0.007 0.000 0.502 355 G HN 0.000 nan 8.290 nan 0.000 0.925