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 1b6s_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKQVCVLGNG QLGRMLRQAG EPLGIAVWPV GLDAEPAAVP FQQSVITAEI DATA SEQUENCE ERWPETALTR ELARHPAFVN RDVFPIIADR LTQKQLFDKL HLPTAPWQLL DATA SEQUENCE AERSEWPAVF DRLGELAIVK RRTGGXXXXG 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 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 K N 2.471 122.900 120.400 0.047 0.000 2.265 2 K HA 0.498 4.851 4.320 0.056 0.000 0.267 2 K C -1.302 175.343 176.600 0.076 0.000 0.994 2 K CA -0.381 55.939 56.287 0.054 0.000 0.860 2 K CB 1.783 34.309 32.500 0.042 0.000 1.099 2 K HN 0.519 nan 8.250 nan 0.000 0.448 3 Q N 1.917 121.777 119.800 0.100 0.000 2.304 3 Q HA 0.447 4.821 4.340 0.056 0.000 0.270 3 Q C -1.162 174.928 176.000 0.151 0.000 1.035 3 Q CA -0.777 55.119 55.803 0.155 0.000 0.781 3 Q CB 2.685 31.541 28.738 0.197 0.000 1.261 3 Q HN 0.263 nan 8.270 nan 0.000 0.444 4 V N 1.394 121.411 119.914 0.171 0.000 2.914 4 V HA 0.544 4.698 4.120 0.056 0.000 0.314 4 V C -0.798 175.404 176.094 0.180 0.000 1.084 4 V CA -0.587 61.795 62.300 0.137 0.000 0.963 4 V CB 2.230 34.112 31.823 0.099 0.000 1.025 4 V HN 0.879 nan 8.190 nan 0.000 0.432 5 C N 3.108 122.460 119.300 0.088 0.000 2.441 5 C HA 0.738 5.232 4.460 0.056 0.000 0.318 5 C C -0.211 174.747 174.990 -0.053 0.000 1.222 5 C CA -0.745 58.308 59.018 0.059 0.000 1.474 5 C CB 1.315 29.055 27.740 -0.000 0.000 2.125 5 C HN 0.607 nan 8.230 nan 0.000 0.479 6 V N 4.391 124.280 119.914 -0.041 0.000 2.417 6 V HA 0.350 4.504 4.120 0.056 0.000 0.291 6 V C -0.189 175.800 176.094 -0.175 0.000 1.024 6 V CA -0.526 61.714 62.300 -0.101 0.000 0.861 6 V CB 1.506 33.301 31.823 -0.046 0.000 0.985 6 V HN 0.671 nan 8.190 nan 0.000 0.436 7 L N 5.312 126.357 121.223 -0.297 0.000 2.407 7 L HA 0.712 5.086 4.340 0.056 0.000 0.282 7 L C 0.567 177.289 176.870 -0.247 0.000 1.110 7 L CA 1.158 55.772 54.840 -0.376 0.000 0.863 7 L CB -0.189 41.464 42.059 -0.677 0.000 1.207 7 L HN 1.021 nan 8.230 nan 0.000 0.454 8 G N 3.622 112.320 108.800 -0.170 0.000 2.764 8 G HA2 -0.170 3.824 3.960 0.056 0.000 0.678 8 G HA3 -0.170 3.824 3.960 0.056 0.000 0.678 8 G C -0.064 174.788 174.900 -0.081 0.000 1.341 8 G CA -0.252 44.784 45.100 -0.107 0.000 0.836 8 G HN 0.671 nan 8.290 nan 0.000 0.632 9 N N -0.109 118.553 118.700 -0.062 0.000 2.236 9 N HA 0.255 5.029 4.740 0.056 0.000 0.196 9 N C 1.734 177.207 175.510 -0.061 0.000 1.114 9 N CA 0.249 53.269 53.050 -0.050 0.000 0.859 9 N CB 0.163 38.630 38.487 -0.033 0.000 0.982 9 N HN 0.919 nan 8.380 nan 0.000 0.493 10 G N 0.675 109.432 108.800 -0.072 0.000 2.661 10 G HA2 -0.185 3.809 3.960 0.056 0.000 0.272 10 G HA3 -0.185 3.809 3.960 0.056 0.000 0.272 10 G C 0.906 175.718 174.900 -0.146 0.000 1.296 10 G CA -0.129 44.914 45.100 -0.094 0.000 0.998 10 G HN 0.319 nan 8.290 nan 0.000 0.553 11 Q N -0.891 118.770 119.800 -0.232 0.000 2.311 11 Q HA 0.007 4.381 4.340 0.056 0.000 0.203 11 Q C 2.307 178.088 176.000 -0.364 0.000 0.954 11 Q CA 0.803 56.357 55.803 -0.415 0.000 0.885 11 Q CB -0.235 27.945 28.738 -0.931 0.000 0.963 11 Q HN 0.590 nan 8.270 nan 0.000 0.471 12 L N 0.680 121.782 121.223 -0.203 0.000 2.072 12 L HA -0.002 4.371 4.340 0.056 0.000 0.205 12 L C 2.561 179.397 176.870 -0.056 0.000 1.079 12 L CA 1.140 55.952 54.840 -0.047 0.000 0.752 12 L CB -0.854 41.222 42.059 0.028 0.000 0.906 12 L HN 0.344 nan 8.230 nan 0.000 0.436 13 G N 0.246 108.993 108.800 -0.089 0.000 2.402 13 G HA2 -0.287 3.707 3.960 0.056 0.000 0.216 13 G HA3 -0.287 3.707 3.960 0.056 0.000 0.216 13 G C 1.703 176.533 174.900 -0.116 0.000 1.162 13 G CA 0.827 45.880 45.100 -0.077 0.000 0.777 13 G HN 0.291 nan 8.290 nan 0.000 0.539 14 R N -0.106 120.300 120.500 -0.157 0.000 2.080 14 R HA -0.015 4.359 4.340 0.056 0.000 0.236 14 R C 2.561 178.720 176.300 -0.235 0.000 1.137 14 R CA 1.889 57.886 56.100 -0.172 0.000 0.943 14 R CB -0.399 29.798 30.300 -0.170 0.000 0.846 14 R HN 0.355 nan 8.270 nan 0.000 0.431 15 M N 0.457 119.829 119.600 -0.381 0.000 2.159 15 M HA -0.162 4.352 4.480 0.056 0.000 0.263 15 M C 2.316 178.269 176.300 -0.579 0.000 1.063 15 M CA 1.546 56.427 55.300 -0.699 0.000 1.110 15 M CB -0.236 31.548 32.600 -1.360 0.000 1.374 15 M HN 0.245 nan 8.290 nan 0.000 0.411 16 L N -0.480 120.598 121.223 -0.243 0.000 2.017 16 L HA -0.240 4.134 4.340 0.056 0.000 0.208 16 L C 2.717 179.550 176.870 -0.061 0.000 1.073 16 L CA 1.475 56.315 54.840 -0.001 0.000 0.745 16 L CB -0.615 41.493 42.059 0.081 0.000 0.894 16 L HN 0.300 nan 8.230 nan 0.000 0.432 17 R N -0.068 120.369 120.500 -0.106 0.000 2.091 17 R HA -0.228 4.146 4.340 0.056 0.000 0.238 17 R C 2.277 178.503 176.300 -0.123 0.000 1.136 17 R CA 1.738 57.764 56.100 -0.122 0.000 0.959 17 R CB -0.138 30.072 30.300 -0.150 0.000 0.856 17 R HN 0.437 nan 8.270 nan 0.000 0.437 18 Q N -0.600 119.113 119.800 -0.144 0.000 2.124 18 Q HA -0.101 4.273 4.340 0.056 0.000 0.202 18 Q C 2.089 178.037 176.000 -0.088 0.000 0.977 18 Q CA 1.523 57.254 55.803 -0.121 0.000 0.850 18 Q CB -0.036 28.617 28.738 -0.142 0.000 0.901 18 Q HN 0.474 nan 8.270 nan 0.000 0.429 19 A N 0.476 123.245 122.820 -0.086 0.000 1.969 19 A HA -0.053 4.301 4.320 0.056 0.000 0.218 19 A C 2.175 179.762 177.584 0.006 0.000 1.169 19 A CA 1.468 53.498 52.037 -0.011 0.000 0.635 19 A CB -0.762 18.280 19.000 0.069 0.000 0.810 19 A HN 0.467 nan 8.150 nan 0.000 0.445 20 G N -0.214 108.579 108.800 -0.012 0.000 2.408 20 G HA2 -0.145 3.848 3.960 0.056 0.000 0.215 20 G HA3 -0.145 3.848 3.960 0.056 0.000 0.215 20 G C 1.349 176.231 174.900 -0.030 0.000 1.156 20 G CA 1.035 46.128 45.100 -0.011 0.000 0.793 20 G HN 0.675 nan 8.290 nan 0.000 0.535 21 E N 1.349 121.516 120.200 -0.055 0.000 2.108 21 E HA -0.184 4.200 4.350 0.056 0.000 0.203 21 E C -0.024 176.556 176.600 -0.033 0.000 1.022 21 E CA 1.871 58.235 56.400 -0.060 0.000 0.823 21 E CB -0.661 28.994 29.700 -0.075 0.000 0.744 21 E HN 0.377 nan 8.360 nan 0.000 0.456 22 P HA -0.060 nan 4.420 nan 0.000 0.225 22 P C 0.980 178.280 177.300 -0.000 0.000 1.156 22 P CA 0.676 63.772 63.100 -0.007 0.000 0.787 22 P CB 0.078 31.778 31.700 0.001 0.000 0.802 23 L N -1.342 119.882 121.223 0.001 0.000 2.554 23 L HA 0.268 4.642 4.340 0.056 0.000 0.226 23 L C 1.652 178.525 176.870 0.005 0.000 1.137 23 L CA 1.198 56.043 54.840 0.008 0.000 0.863 23 L CB -1.389 40.679 42.059 0.015 0.000 0.985 23 L HN 0.163 nan 8.230 nan 0.000 0.451 24 G N -0.391 108.407 108.800 -0.003 0.000 2.159 24 G HA2 -0.288 3.706 3.960 0.056 0.000 0.256 24 G HA3 -0.288 3.706 3.960 0.056 0.000 0.256 24 G C 0.437 175.336 174.900 -0.000 0.000 0.977 24 G CA 0.258 45.356 45.100 -0.002 0.000 0.652 24 G HN 0.310 nan 8.290 nan 0.000 0.531 25 I N 1.443 122.010 120.570 -0.004 0.000 2.342 25 I HA 0.561 4.765 4.170 0.056 0.000 0.291 25 I C 0.802 176.898 176.117 -0.034 0.000 1.010 25 I CA -0.267 61.033 61.300 0.001 0.000 1.308 25 I CB 1.732 39.740 38.000 0.013 0.000 1.400 25 I HN 0.238 nan 8.210 nan 0.000 0.488 26 A N 7.241 130.046 122.820 -0.026 0.000 2.279 26 A HA 0.593 4.947 4.320 0.056 0.000 0.306 26 A C -0.343 177.162 177.584 -0.133 0.000 1.300 26 A CA -0.426 51.539 52.037 -0.121 0.000 0.925 26 A CB 0.201 19.180 19.000 -0.035 0.000 1.152 26 A HN 0.485 nan 8.150 nan 0.000 0.544 27 V N 2.539 122.306 119.914 -0.245 0.000 2.394 27 V HA 0.325 4.479 4.120 0.056 0.000 0.282 27 V C -0.877 175.029 176.094 -0.313 0.000 1.031 27 V CA -0.289 61.918 62.300 -0.155 0.000 0.881 27 V CB 0.611 32.381 31.823 -0.089 0.000 0.982 27 V HN 0.878 nan 8.190 nan 0.000 0.451 28 W N 6.681 127.966 121.300 -0.026 0.000 2.363 28 W HA 0.498 5.199 4.660 0.070 0.000 0.314 28 W C -2.491 173.994 176.519 -0.056 0.000 0.994 28 W CA -2.291 55.034 57.345 -0.034 0.000 1.449 28 W CB 1.064 30.509 29.460 -0.025 0.000 1.248 28 W HN 0.339 nan 8.180 nan 0.000 0.409 29 P HA 0.287 nan 4.420 nan 0.000 0.278 29 P C -0.852 176.467 177.300 0.032 0.000 1.238 29 P CA -0.176 62.938 63.100 0.022 0.000 0.794 29 P CB 2.134 33.820 31.700 -0.023 0.000 0.955 30 V N 2.000 121.896 119.914 -0.029 0.000 2.969 30 V HA 0.706 4.860 4.120 0.056 0.000 0.304 30 V C -0.224 175.825 176.094 -0.075 0.000 1.192 30 V CA -0.591 61.688 62.300 -0.035 0.000 0.962 30 V CB 2.163 33.962 31.823 -0.039 0.000 1.045 30 V HN 0.714 nan 8.190 nan 0.000 0.428 31 G N 3.948 112.717 108.800 -0.052 0.000 2.476 31 G HA2 0.463 4.457 3.960 0.056 0.000 0.269 31 G HA3 0.463 4.457 3.960 0.056 0.000 0.269 31 G C 0.718 175.578 174.900 -0.066 0.000 1.195 31 G CA -0.530 44.538 45.100 -0.054 0.000 0.843 31 G HN 0.947 nan 8.290 nan 0.000 0.545 32 L N 0.659 121.850 121.223 -0.054 0.000 2.081 32 L HA -0.145 4.229 4.340 0.056 0.000 0.212 32 L C 2.489 179.342 176.870 -0.029 0.000 1.080 32 L CA 1.716 56.532 54.840 -0.040 0.000 0.754 32 L CB -0.364 41.702 42.059 0.012 0.000 0.893 32 L HN 0.688 nan 8.230 nan 0.000 0.433 33 D N 0.859 121.248 120.400 -0.018 0.000 2.378 33 D HA -0.060 4.614 4.640 0.056 0.000 0.222 33 D C 1.009 177.297 176.300 -0.021 0.000 0.980 33 D CA 0.624 54.617 54.000 -0.012 0.000 0.907 33 D CB -0.164 40.633 40.800 -0.005 0.000 0.899 33 D HN 0.308 nan 8.370 nan 0.000 0.527 34 A N 1.482 124.280 122.820 -0.037 0.000 2.548 34 A HA 0.095 4.449 4.320 0.056 0.000 0.247 34 A C 0.049 177.606 177.584 -0.044 0.000 1.067 34 A CA -0.219 51.793 52.037 -0.041 0.000 0.757 34 A CB -0.007 18.958 19.000 -0.057 0.000 0.996 34 A HN 0.117 nan 8.150 nan 0.000 0.504 35 E N 4.338 124.523 120.200 -0.025 0.000 2.338 35 E HA 0.315 4.698 4.350 0.056 0.000 0.272 35 E C -2.108 174.485 176.600 -0.011 0.000 1.029 35 E CA -1.941 54.449 56.400 -0.017 0.000 0.872 35 E CB -0.139 29.559 29.700 -0.003 0.000 1.015 35 E HN 0.357 nan 8.360 nan 0.000 0.417 36 P HA -0.261 nan 4.420 nan 0.000 0.217 36 P C 0.826 178.230 177.300 0.173 0.000 1.148 36 P CA 1.856 64.987 63.100 0.051 0.000 0.828 36 P CB 0.104 31.841 31.700 0.063 0.000 0.783 37 A N -0.462 122.408 122.820 0.084 0.000 2.119 37 A HA 0.090 4.443 4.320 0.056 0.000 0.217 37 A C 2.185 179.771 177.584 0.003 0.000 1.153 37 A CA 1.526 53.592 52.037 0.048 0.000 0.692 37 A CB -1.128 17.884 19.000 0.021 0.000 0.799 37 A HN 0.224 nan 8.150 nan 0.000 0.458 38 A N -0.676 122.142 122.820 -0.002 0.000 2.132 38 A HA 0.423 4.776 4.320 0.056 0.000 0.213 38 A C 0.741 178.266 177.584 -0.099 0.000 1.154 38 A CA 0.482 52.491 52.037 -0.047 0.000 0.753 38 A CB -0.149 18.835 19.000 -0.027 0.000 0.826 38 A HN 0.295 nan 8.150 nan 0.000 0.469 39 V N 0.572 120.465 119.914 -0.035 0.000 2.481 39 V HA 0.313 4.467 4.120 0.056 0.000 0.286 39 V C -2.296 173.740 176.094 -0.096 0.000 1.042 39 V CA -1.592 60.670 62.300 -0.063 0.000 0.928 39 V CB 1.348 33.212 31.823 0.069 0.000 0.986 39 V HN 0.190 nan 8.190 nan 0.000 0.462 40 P HA 0.135 nan 4.420 nan 0.000 0.236 40 P C 0.934 178.110 177.300 -0.207 0.000 1.749 40 P CA -0.349 62.543 63.100 -0.347 0.000 0.994 40 P CB -0.362 31.007 31.700 -0.553 0.000 1.599 41 F N 0.776 120.638 119.950 -0.146 0.000 2.202 41 F HA -0.215 4.345 4.527 0.055 0.000 0.301 41 F C 1.418 177.262 175.800 0.074 0.000 1.082 41 F CA 1.262 59.212 58.000 -0.083 0.000 1.313 41 F CB -1.525 37.400 39.000 -0.124 0.000 1.024 41 F HN -0.084 nan 8.300 nan 0.000 0.495 42 Q N 0.901 120.237 119.800 -0.774 0.000 2.436 42 Q HA -0.058 4.316 4.340 0.056 0.000 0.209 42 Q C 0.417 176.306 176.000 -0.186 0.000 0.965 42 Q CA 1.208 56.688 55.803 -0.539 0.000 0.910 42 Q CB -0.690 27.626 28.738 -0.702 0.000 0.980 42 Q HN 0.716 nan 8.270 nan 0.000 0.491 43 Q N -0.485 119.239 119.800 -0.127 0.000 2.158 43 Q HA 0.410 4.784 4.340 0.056 0.000 0.306 43 Q C -0.800 175.217 176.000 0.028 0.000 0.878 43 Q CA -0.248 55.526 55.803 -0.048 0.000 1.136 43 Q CB 0.965 29.661 28.738 -0.071 0.000 1.253 43 Q HN 0.167 nan 8.270 nan 0.000 0.441 44 S N -1.913 113.844 115.700 0.095 0.000 2.688 44 S HA 0.701 5.205 4.470 0.056 0.000 0.275 44 S C -0.480 174.221 174.600 0.168 0.000 1.175 44 S CA -0.941 57.328 58.200 0.116 0.000 0.818 44 S CB 0.967 64.232 63.200 0.108 0.000 1.157 44 S HN -0.014 nan 8.310 nan 0.000 0.482 45 V N 1.653 121.646 119.914 0.131 0.000 2.686 45 V HA 0.466 4.620 4.120 0.056 0.000 0.295 45 V C -0.636 175.476 176.094 0.029 0.000 1.057 45 V CA -0.558 61.823 62.300 0.135 0.000 1.012 45 V CB 1.002 32.907 31.823 0.137 0.000 1.006 45 V HN 0.665 nan 8.190 nan 0.000 0.477 46 I N 2.950 123.506 120.570 -0.023 0.000 2.530 46 I HA 0.589 4.793 4.170 0.056 0.000 0.297 46 I C 0.088 176.194 176.117 -0.019 0.000 1.011 46 I CA -0.095 61.062 61.300 -0.238 0.000 1.107 46 I CB 1.509 39.058 38.000 -0.751 0.000 1.285 46 I HN 0.662 nan 8.210 nan 0.000 0.436 47 T N 3.358 117.864 114.554 -0.080 0.000 2.804 47 T HA 0.925 5.309 4.350 0.056 0.000 0.290 47 T C -1.538 173.185 174.700 0.038 0.000 1.099 47 T CA -0.435 61.797 62.100 0.220 0.000 1.011 47 T CB 2.153 71.221 68.868 0.334 0.000 1.291 47 T HN 0.840 nan 8.240 nan 0.000 0.523 48 A N 0.685 123.602 122.820 0.161 0.000 2.549 48 A HA 0.656 5.010 4.320 0.056 0.000 0.297 48 A C 0.218 177.762 177.584 -0.068 0.000 1.061 48 A CA -0.402 51.571 52.037 -0.108 0.000 0.690 48 A CB 1.343 20.157 19.000 -0.310 0.000 1.287 48 A HN 0.934 nan 8.150 nan 0.000 0.402 49 E N 1.113 121.249 120.200 -0.106 0.000 2.472 49 E HA 0.198 4.582 4.350 0.056 0.000 0.196 49 E C 0.485 177.054 176.600 -0.050 0.000 1.033 49 E CA 0.105 56.465 56.400 -0.066 0.000 0.886 49 E CB -0.141 29.521 29.700 -0.063 0.000 0.944 49 E HN 0.704 nan 8.360 nan 0.000 0.492 50 I N -1.456 119.074 120.570 -0.067 0.000 2.562 50 I HA 0.433 4.637 4.170 0.056 0.000 0.301 50 I C 0.224 176.363 176.117 0.036 0.000 1.003 50 I CA -0.982 60.324 61.300 0.010 0.000 1.127 50 I CB 2.236 40.282 38.000 0.075 0.000 1.304 50 I HN -0.297 nan 8.210 nan 0.000 0.446 51 E N 3.102 123.328 120.200 0.043 0.000 2.107 51 E HA -0.028 4.356 4.350 0.056 0.000 0.191 51 E C 0.115 176.672 176.600 -0.072 0.000 0.982 51 E CA 1.247 57.651 56.400 0.008 0.000 0.809 51 E CB 0.162 29.872 29.700 0.018 0.000 0.756 51 E HN 0.707 nan 8.360 nan 0.000 0.459 52 R N -1.200 119.273 120.500 -0.045 0.000 2.799 52 R HA 0.610 4.983 4.340 0.056 0.000 0.270 52 R C -1.556 174.754 176.300 0.018 0.000 1.010 52 R CA -1.105 54.764 56.100 -0.385 0.000 0.916 52 R CB 0.928 31.035 30.300 -0.321 0.000 1.228 52 R HN 0.040 nan 8.270 nan 0.000 0.469 53 W N -0.480 120.801 121.300 -0.032 0.000 3.213 53 W HA 0.593 5.288 4.660 0.058 0.000 0.318 53 W C -2.728 173.784 176.519 -0.012 0.000 1.248 53 W CA -2.104 55.225 57.345 -0.027 0.000 1.187 53 W CB -0.219 29.224 29.460 -0.029 0.000 1.403 53 W HN 0.464 nan 8.180 nan 0.000 0.556 54 P HA 0.071 nan 4.420 nan 0.000 0.272 54 P C -0.840 176.545 177.300 0.142 0.000 1.240 54 P CA -0.289 62.871 63.100 0.100 0.000 0.791 54 P CB 0.939 32.691 31.700 0.086 0.000 0.978 55 E N 1.018 121.266 120.200 0.080 0.000 1.941 55 E HA 0.219 4.603 4.350 0.056 0.000 0.275 55 E C -0.409 176.234 176.600 0.070 0.000 1.113 55 E CA -0.499 55.955 56.400 0.091 0.000 0.878 55 E CB 0.085 29.817 29.700 0.053 0.000 1.070 55 E HN 0.515 nan 8.360 nan 0.000 0.399 56 T N 0.520 115.120 114.554 0.077 0.000 2.948 56 T HA 0.548 4.932 4.350 0.056 0.000 0.285 56 T C 1.291 175.999 174.700 0.014 0.000 1.019 56 T CA -0.143 61.977 62.100 0.034 0.000 1.013 56 T CB 1.626 70.504 68.868 0.016 0.000 1.117 56 T HN 0.328 nan 8.240 nan 0.000 0.533 57 A N 0.598 123.415 122.820 -0.004 0.000 1.927 57 A HA -0.035 4.319 4.320 0.056 0.000 0.220 57 A C 2.157 179.703 177.584 -0.062 0.000 1.185 57 A CA 2.026 54.053 52.037 -0.016 0.000 0.639 57 A CB -1.213 17.780 19.000 -0.011 0.000 0.820 57 A HN 0.858 nan 8.150 nan 0.000 0.451 58 L N 0.136 121.294 121.223 -0.108 0.000 1.988 58 L HA -0.136 4.238 4.340 0.056 0.000 0.207 58 L C 2.920 179.658 176.870 -0.221 0.000 1.071 58 L CA 3.113 57.811 54.840 -0.236 0.000 0.744 58 L CB -1.089 40.820 42.059 -0.251 0.000 0.893 58 L HN 0.595 nan 8.230 nan 0.000 0.433 59 T N -2.704 111.789 114.554 -0.102 0.000 2.778 59 T HA -0.278 4.106 4.350 0.056 0.000 0.269 59 T C 2.107 176.863 174.700 0.094 0.000 1.050 59 T CA 1.582 63.691 62.100 0.015 0.000 1.137 59 T CB -0.538 68.473 68.868 0.238 0.000 0.860 59 T HN 0.364 nan 8.240 nan 0.000 0.468 60 R N 0.513 121.042 120.500 0.048 0.000 2.070 60 R HA -0.046 4.328 4.340 0.056 0.000 0.233 60 R C 2.845 179.175 176.300 0.049 0.000 1.137 60 R CA 1.487 57.624 56.100 0.063 0.000 0.945 60 R CB -0.197 30.126 30.300 0.039 0.000 0.845 60 R HN 0.392 nan 8.270 nan 0.000 0.430 61 E N 0.805 120.991 120.200 -0.023 0.000 2.118 61 E HA -0.176 4.208 4.350 0.056 0.000 0.195 61 E C 1.975 178.596 176.600 0.036 0.000 0.992 61 E CA 1.066 57.455 56.400 -0.018 0.000 0.804 61 E CB -0.140 29.454 29.700 -0.177 0.000 0.741 61 E HN 0.358 nan 8.360 nan 0.000 0.458 62 L N 0.100 121.298 121.223 -0.043 0.000 2.456 62 L HA -0.090 4.284 4.340 0.056 0.000 0.224 62 L C 2.299 179.349 176.870 0.300 0.000 1.148 62 L CA 0.617 55.499 54.840 0.071 0.000 0.825 62 L CB -0.446 41.543 42.059 -0.116 0.000 0.937 62 L HN 0.015 nan 8.230 nan 0.000 0.450 63 A N 1.305 124.267 122.820 0.236 0.000 2.067 63 A HA -0.132 4.222 4.320 0.056 0.000 0.219 63 A C 1.910 179.617 177.584 0.205 0.000 1.158 63 A CA 1.031 53.210 52.037 0.237 0.000 0.661 63 A CB -0.317 18.788 19.000 0.175 0.000 0.801 63 A HN 0.595 nan 8.150 nan 0.000 0.452 64 R N -1.054 119.568 120.500 0.204 0.000 2.748 64 R HA 0.249 4.623 4.340 0.056 0.000 0.395 64 R C -0.312 176.112 176.300 0.207 0.000 1.128 64 R CA -0.462 55.740 56.100 0.171 0.000 1.042 64 R CB -0.337 30.034 30.300 0.119 0.000 1.392 64 R HN 0.399 nan 8.270 nan 0.000 0.582 65 H N 2.401 121.579 119.070 0.180 0.000 2.552 65 H HA 0.218 4.809 4.556 0.057 0.000 0.311 65 H C -1.717 173.714 175.328 0.172 0.000 1.071 65 H CA -1.990 54.175 56.048 0.193 0.000 1.307 65 H CB 2.097 32.008 29.762 0.249 0.000 1.416 65 H HN 0.103 nan 8.280 nan 0.000 0.464 66 P HA 0.033 nan 4.420 nan 0.000 0.239 66 P C 0.262 177.649 177.300 0.145 0.000 1.184 66 P CA 0.502 63.622 63.100 0.033 0.000 0.760 66 P CB 0.383 32.041 31.700 -0.070 0.000 0.884 67 A N -1.196 121.899 122.820 0.457 0.000 2.605 67 A HA 0.251 4.605 4.320 0.056 0.000 0.292 67 A C -0.228 177.696 177.584 0.565 0.000 1.055 67 A CA -0.288 52.073 52.037 0.541 0.000 0.969 67 A CB -0.315 18.958 19.000 0.456 0.000 1.236 67 A HN 0.050 nan 8.150 nan 0.000 0.534 68 F N 2.364 122.502 119.950 0.313 0.000 2.351 68 F HA 0.426 4.987 4.527 0.056 0.000 0.362 68 F C -0.037 175.858 175.800 0.159 0.000 1.131 68 F CA -1.573 56.513 58.000 0.144 0.000 1.187 68 F CB 0.211 39.275 39.000 0.106 0.000 1.434 68 F HN -0.079 nan 8.300 nan 0.000 0.553 69 V N 7.590 127.791 119.914 0.478 0.000 2.540 69 V HA 0.005 4.159 4.120 0.056 0.000 0.297 69 V C 0.747 176.820 176.094 -0.035 0.000 1.024 69 V CA 0.200 62.613 62.300 0.189 0.000 1.105 69 V CB -0.017 31.877 31.823 0.119 0.000 0.938 69 V HN 0.815 nan 8.190 nan 0.000 0.482 70 N N 2.380 120.934 118.700 -0.243 0.000 2.878 70 N HA -0.217 4.556 4.740 0.056 0.000 0.247 70 N C 1.557 176.578 175.510 -0.814 0.000 1.021 70 N CA 1.277 54.020 53.050 -0.511 0.000 0.873 70 N CB -0.904 37.221 38.487 -0.604 0.000 1.128 70 N HN 0.807 nan 8.380 nan 0.000 0.571 71 R N 1.111 121.239 120.500 -0.619 0.000 2.119 71 R HA -0.154 4.220 4.340 0.056 0.000 0.246 71 R C 0.536 176.703 176.300 -0.222 0.000 1.146 71 R CA 2.117 57.831 56.100 -0.644 0.000 0.962 71 R CB -0.017 29.888 30.300 -0.658 0.000 0.863 71 R HN 0.264 nan 8.270 nan 0.000 0.442 72 D N -0.547 119.726 120.400 -0.211 0.000 2.350 72 D HA -0.015 4.659 4.640 0.056 0.000 0.213 72 D C 1.669 177.888 176.300 -0.134 0.000 1.031 72 D CA 0.259 54.192 54.000 -0.112 0.000 0.861 72 D CB 0.502 41.263 40.800 -0.066 0.000 0.926 72 D HN 0.130 nan 8.370 nan 0.000 0.520 73 V N 0.832 120.590 119.914 -0.260 0.000 2.407 73 V HA -0.184 3.970 4.120 0.056 0.000 0.245 73 V C 2.018 178.019 176.094 -0.154 0.000 1.041 73 V CA 0.990 63.156 62.300 -0.223 0.000 1.040 73 V CB -0.487 31.194 31.823 -0.236 0.000 0.671 73 V HN -0.014 nan 8.190 nan 0.000 0.455 74 F N 0.718 120.673 119.950 0.008 0.000 2.045 74 F HA -0.166 4.394 4.527 0.055 0.000 0.297 74 F C 0.238 175.986 175.800 -0.087 0.000 1.114 74 F CA 2.080 60.078 58.000 -0.004 0.000 1.207 74 F CB -2.705 36.333 39.000 0.062 0.000 0.964 74 F HN 0.280 nan 8.300 nan 0.000 0.486 75 P HA -0.195 nan 4.420 nan 0.000 0.217 75 P C 1.806 179.071 177.300 -0.059 0.000 1.148 75 P CA 1.772 64.845 63.100 -0.045 0.000 0.834 75 P CB -0.232 31.427 31.700 -0.068 0.000 0.783 76 I N -1.615 118.920 120.570 -0.058 0.000 2.333 76 I HA -0.132 4.072 4.170 0.056 0.000 0.246 76 I C 2.406 178.453 176.117 -0.116 0.000 1.106 76 I CA 1.059 62.303 61.300 -0.094 0.000 1.411 76 I CB -0.451 37.488 38.000 -0.102 0.000 1.082 76 I HN -0.183 nan 8.210 nan 0.000 0.420 77 I N 0.575 121.099 120.570 -0.077 0.000 2.286 77 I HA -0.202 4.002 4.170 0.056 0.000 0.245 77 I C 2.756 178.830 176.117 -0.071 0.000 1.104 77 I CA 1.024 62.272 61.300 -0.086 0.000 1.397 77 I CB -0.567 37.405 38.000 -0.046 0.000 1.072 77 I HN 0.136 nan 8.210 nan 0.000 0.417 78 A N -0.400 122.402 122.820 -0.031 0.000 2.009 78 A HA -0.253 4.101 4.320 0.056 0.000 0.222 78 A C 1.302 178.840 177.584 -0.077 0.000 1.175 78 A CA 1.601 53.608 52.037 -0.050 0.000 0.651 78 A CB -0.566 18.387 19.000 -0.079 0.000 0.815 78 A HN 0.414 nan 8.150 nan 0.000 0.459 79 D N -1.460 118.881 120.400 -0.098 0.000 2.329 79 D HA 0.300 4.973 4.640 0.056 0.000 0.232 79 D C 0.930 177.138 176.300 -0.154 0.000 1.088 79 D CA -0.369 53.567 54.000 -0.107 0.000 0.835 79 D CB 0.745 41.488 40.800 -0.095 0.000 1.078 79 D HN 0.209 nan 8.370 nan 0.000 0.495 80 R N 2.400 122.815 120.500 -0.141 0.000 2.127 80 R HA -0.180 4.194 4.340 0.056 0.000 0.238 80 R C 1.944 178.064 176.300 -0.300 0.000 1.134 80 R CA 0.937 56.918 56.100 -0.197 0.000 0.975 80 R CB 0.076 30.302 30.300 -0.123 0.000 0.865 80 R HN 0.435 nan 8.270 nan 0.000 0.447 81 L N 0.320 121.427 121.223 -0.194 0.000 1.988 81 L HA -0.174 4.200 4.340 0.056 0.000 0.207 81 L C 2.454 179.164 176.870 -0.265 0.000 1.071 81 L CA 2.511 57.250 54.840 -0.168 0.000 0.744 81 L CB -0.969 41.101 42.059 0.019 0.000 0.893 81 L HN 0.257 nan 8.230 nan 0.000 0.433 82 T N -3.166 111.272 114.554 -0.193 0.000 2.833 82 T HA -0.246 4.138 4.350 0.056 0.000 0.269 82 T C 1.852 176.337 174.700 -0.359 0.000 1.054 82 T CA 1.577 63.557 62.100 -0.200 0.000 1.135 82 T CB -0.512 68.271 68.868 -0.142 0.000 0.869 82 T HN 0.535 nan 8.240 nan 0.000 0.466 83 Q N 0.557 120.085 119.800 -0.454 0.000 1.975 83 Q HA -0.146 4.228 4.340 0.056 0.000 0.205 83 Q C 2.482 177.783 176.000 -1.165 0.000 0.990 83 Q CA 1.348 56.732 55.803 -0.699 0.000 0.845 83 Q CB -0.086 28.312 28.738 -0.566 0.000 0.913 83 Q HN 0.315 nan 8.270 nan 0.000 0.420 84 K N 0.549 120.296 120.400 -1.089 0.000 2.113 84 K HA -0.212 4.142 4.320 0.056 0.000 0.208 84 K C 2.001 178.096 176.600 -0.842 0.000 1.047 84 K CA 1.441 56.986 56.287 -1.238 0.000 0.928 84 K CB -0.257 31.033 32.500 -2.016 0.000 0.716 84 K HN 0.378 nan 8.250 nan 0.000 0.446 85 Q N 0.123 119.570 119.800 -0.589 0.000 2.061 85 Q HA -0.174 4.200 4.340 0.056 0.000 0.204 85 Q C 2.125 178.032 176.000 -0.155 0.000 0.984 85 Q CA 1.194 56.937 55.803 -0.099 0.000 0.846 85 Q CB -0.193 28.526 28.738 -0.032 0.000 0.902 85 Q HN 0.127 nan 8.270 nan 0.000 0.421 86 L N 0.238 121.255 121.223 -0.343 0.000 2.013 86 L HA -0.217 4.157 4.340 0.056 0.000 0.212 86 L C 1.896 178.703 176.870 -0.103 0.000 1.073 86 L CA 1.800 56.483 54.840 -0.261 0.000 0.753 86 L CB -0.673 41.166 42.059 -0.367 0.000 0.890 86 L HN 0.129 nan 8.230 nan 0.000 0.432 87 F N 0.322 120.192 119.950 -0.133 0.000 2.065 87 F HA -0.244 4.316 4.527 0.056 0.000 0.298 87 F C 2.477 178.228 175.800 -0.082 0.000 1.112 87 F CA 1.394 59.328 58.000 -0.111 0.000 1.212 87 F CB -1.653 37.267 39.000 -0.133 0.000 0.975 87 F HN 0.206 nan 8.300 nan 0.000 0.476 88 D N 0.200 120.692 120.400 0.153 0.000 2.149 88 D HA -0.202 4.471 4.640 0.056 0.000 0.198 88 D C 2.193 178.426 176.300 -0.111 0.000 0.990 88 D CA 1.449 55.511 54.000 0.102 0.000 0.839 88 D CB -0.455 40.483 40.800 0.230 0.000 0.948 88 D HN 0.346 nan 8.370 nan 0.000 0.460 89 K N 0.203 120.532 120.400 -0.119 0.000 2.288 89 K HA -0.086 4.268 4.320 0.056 0.000 0.201 89 K C 1.305 177.692 176.600 -0.354 0.000 1.048 89 K CA 0.508 56.669 56.287 -0.210 0.000 0.956 89 K CB 0.147 32.587 32.500 -0.100 0.000 0.746 89 K HN -0.010 nan 8.250 nan 0.000 0.461 90 L N 0.829 121.913 121.223 -0.232 0.000 2.529 90 L HA 0.098 4.472 4.340 0.056 0.000 0.223 90 L C -0.339 176.468 176.870 -0.104 0.000 1.113 90 L CA 0.911 55.670 54.840 -0.134 0.000 0.861 90 L CB -0.979 41.081 42.059 0.003 0.000 1.012 90 L HN 0.304 nan 8.230 nan 0.000 0.461 91 H N -1.971 117.142 119.070 0.070 0.000 2.819 91 H HA -0.151 4.439 4.556 0.056 0.000 0.315 91 H C -0.417 174.933 175.328 0.037 0.000 1.242 91 H CA 0.059 56.141 56.048 0.056 0.000 1.157 91 H CB -2.331 27.454 29.762 0.039 0.000 1.451 91 H HN 0.132 nan 8.280 nan 0.000 0.430 92 L N 1.125 122.400 121.223 0.088 0.000 2.307 92 L HA 0.478 4.852 4.340 0.056 0.000 0.284 92 L C -1.817 175.045 176.870 -0.012 0.000 1.023 92 L CA -2.213 52.633 54.840 0.010 0.000 0.810 92 L CB 1.086 43.108 42.059 -0.061 0.000 1.231 92 L HN -0.088 nan 8.230 nan 0.000 0.423 93 P HA 0.055 nan 4.420 nan 0.000 0.262 93 P C -0.380 176.872 177.300 -0.080 0.000 1.182 93 P CA 0.283 63.371 63.100 -0.021 0.000 0.761 93 P CB 0.815 32.504 31.700 -0.018 0.000 0.795 94 T N 1.162 115.720 114.554 0.006 0.000 2.830 94 T HA 0.575 4.959 4.350 0.056 0.000 0.322 94 T C -1.334 173.446 174.700 0.133 0.000 1.501 94 T CA -0.500 61.610 62.100 0.016 0.000 1.036 94 T CB 0.876 69.749 68.868 0.009 0.000 1.379 94 T HN 0.307 nan 8.240 nan 0.000 0.493 95 A N 3.818 126.738 122.820 0.166 0.000 2.450 95 A HA 0.591 4.944 4.320 0.056 0.000 0.255 95 A C -2.397 175.350 177.584 0.271 0.000 1.096 95 A CA -1.016 51.142 52.037 0.202 0.000 0.778 95 A CB -0.429 18.697 19.000 0.210 0.000 1.031 95 A HN 0.566 nan 8.150 nan 0.000 0.494 96 P HA 0.004 nan 4.420 nan 0.000 0.256 96 P C -0.421 177.031 177.300 0.253 0.000 1.173 96 P CA 0.611 63.833 63.100 0.203 0.000 0.768 96 P CB -0.026 31.735 31.700 0.102 0.000 0.758 97 W N 3.055 124.374 121.300 0.031 0.000 2.962 97 W HA 0.753 5.448 4.660 0.058 0.000 0.341 97 W C -1.529 174.987 176.519 -0.006 0.000 1.155 97 W CA -1.120 56.234 57.345 0.015 0.000 1.165 97 W CB 1.095 30.574 29.460 0.031 0.000 1.435 97 W HN 0.317 nan 8.180 nan 0.000 0.546 98 Q N 1.240 120.972 119.800 -0.114 0.000 2.482 98 Q HA 0.518 4.892 4.340 0.056 0.000 0.286 98 Q C -1.830 174.122 176.000 -0.079 0.000 1.007 98 Q CA -0.989 54.620 55.803 -0.322 0.000 0.801 98 Q CB 3.442 32.062 28.738 -0.196 0.000 1.455 98 Q HN 0.556 nan 8.270 nan 0.000 0.398 99 L N 2.320 123.465 121.223 -0.129 0.000 2.326 99 L HA 0.413 4.787 4.340 0.056 0.000 0.278 99 L C -1.084 175.738 176.870 -0.081 0.000 1.092 99 L CA -0.333 54.505 54.840 -0.003 0.000 0.810 99 L CB 0.845 42.918 42.059 0.023 0.000 1.153 99 L HN 0.660 nan 8.230 nan 0.000 0.439 100 L N 6.048 127.218 121.223 -0.087 0.000 2.389 100 L HA 0.439 4.813 4.340 0.056 0.000 0.265 100 L C 0.643 177.454 176.870 -0.099 0.000 1.167 100 L CA 0.581 55.308 54.840 -0.188 0.000 1.045 100 L CB 0.021 41.905 42.059 -0.291 0.000 1.351 100 L HN 0.886 nan 8.230 nan 0.000 0.419 101 A N 3.482 126.264 122.820 -0.063 0.000 2.353 101 A HA 0.221 4.575 4.320 0.056 0.000 0.218 101 A C 0.740 178.371 177.584 0.078 0.000 1.760 101 A CA 0.072 52.119 52.037 0.017 0.000 0.638 101 A CB -0.289 18.701 19.000 -0.017 0.000 1.280 101 A HN 0.549 nan 8.150 nan 0.000 0.511 102 E N 0.126 120.307 120.200 -0.032 0.000 2.408 102 E HA 0.140 4.524 4.350 0.056 0.000 0.259 102 E C 0.673 177.206 176.600 -0.111 0.000 1.110 102 E CA -0.171 56.175 56.400 -0.090 0.000 0.929 102 E CB 0.356 30.006 29.700 -0.084 0.000 0.971 102 E HN 0.432 nan 8.360 nan 0.000 0.438 103 R N 0.334 120.745 120.500 -0.149 0.000 2.240 103 R HA 0.019 4.393 4.340 0.056 0.000 0.203 103 R C 1.518 177.876 176.300 0.098 0.000 1.011 103 R CA 0.407 56.533 56.100 0.044 0.000 1.007 103 R CB 0.009 30.345 30.300 0.060 0.000 0.911 103 R HN 0.262 nan 8.270 nan 0.000 0.468 104 S N 1.092 116.789 115.700 -0.005 0.000 2.727 104 S HA -0.009 4.495 4.470 0.056 0.000 0.226 104 S C 1.059 175.662 174.600 0.005 0.000 0.963 104 S CA 0.564 58.772 58.200 0.013 0.000 0.950 104 S CB 0.069 63.256 63.200 -0.021 0.000 0.779 104 S HN 0.377 nan 8.310 nan 0.000 0.532 105 E N -0.548 119.630 120.200 -0.037 0.000 2.453 105 E HA 0.138 4.522 4.350 0.056 0.000 0.211 105 E C 0.880 177.494 176.600 0.023 0.000 0.897 105 E CA -0.277 56.082 56.400 -0.069 0.000 1.063 105 E CB 0.073 29.670 29.700 -0.172 0.000 1.080 105 E HN 0.546 nan 8.360 nan 0.000 0.512 106 W N 1.939 123.321 121.300 0.136 0.000 2.290 106 W HA -0.232 4.461 4.660 0.056 0.000 0.323 106 W C -0.761 175.909 176.519 0.252 0.000 1.260 106 W CA 1.388 58.868 57.345 0.225 0.000 1.266 106 W CB -1.283 28.320 29.460 0.239 0.000 1.149 106 W HN 0.253 nan 8.180 nan 0.000 0.482 107 P HA -0.263 nan 4.420 nan 0.000 0.213 107 P C 1.321 178.764 177.300 0.238 0.000 1.170 107 P CA 3.126 66.383 63.100 0.262 0.000 0.902 107 P CB -0.599 31.194 31.700 0.154 0.000 0.789 108 A N -0.531 122.392 122.820 0.170 0.000 1.902 108 A HA -0.131 4.223 4.320 0.056 0.000 0.217 108 A C 2.505 180.168 177.584 0.132 0.000 1.181 108 A CA 1.807 53.913 52.037 0.115 0.000 0.623 108 A CB -1.716 17.316 19.000 0.053 0.000 0.818 108 A HN 0.036 nan 8.150 nan 0.000 0.443 109 V N -1.213 118.795 119.914 0.156 0.000 2.250 109 V HA -0.296 3.857 4.120 0.056 0.000 0.250 109 V C 2.241 178.413 176.094 0.130 0.000 1.060 109 V CA 2.353 64.717 62.300 0.107 0.000 1.030 109 V CB -0.872 31.011 31.823 0.100 0.000 0.643 109 V HN 0.604 nan 8.190 nan 0.000 0.445 110 F N 0.118 120.196 119.950 0.213 0.000 2.641 110 F HA -0.091 4.470 4.527 0.057 0.000 0.298 110 F C 1.990 177.846 175.800 0.094 0.000 1.146 110 F CA 1.496 59.590 58.000 0.156 0.000 1.464 110 F CB -0.199 38.881 39.000 0.133 0.000 1.101 110 F HN 0.278 nan 8.300 nan 0.000 0.585 111 D N -0.385 120.150 120.400 0.224 0.000 2.259 111 D HA -0.042 4.632 4.640 0.056 0.000 0.216 111 D C 2.289 178.640 176.300 0.085 0.000 0.961 111 D CA 0.946 55.028 54.000 0.137 0.000 0.878 111 D CB 0.164 41.031 40.800 0.112 0.000 1.009 111 D HN -0.065 nan 8.370 nan 0.000 0.490 112 R N -0.335 120.202 120.500 0.062 0.000 2.062 112 R HA 0.142 4.516 4.340 0.056 0.000 0.231 112 R C 2.372 178.690 176.300 0.030 0.000 1.136 112 R CA 1.110 57.227 56.100 0.029 0.000 0.948 112 R CB -0.341 29.958 30.300 -0.001 0.000 0.845 112 R HN 0.226 nan 8.270 nan 0.000 0.430 113 L N -1.274 119.963 121.223 0.024 0.000 2.240 113 L HA 0.237 4.610 4.340 0.056 0.000 0.211 113 L C 1.456 178.346 176.870 0.034 0.000 1.106 113 L CA 0.491 55.340 54.840 0.015 0.000 0.793 113 L CB -0.604 41.438 42.059 -0.027 0.000 0.927 113 L HN 0.507 nan 8.230 nan 0.000 0.446 114 G N 0.589 109.431 108.800 0.070 0.000 2.578 114 G HA2 -0.272 3.722 3.960 0.056 0.000 0.232 114 G HA3 -0.272 3.722 3.960 0.056 0.000 0.232 114 G C 0.452 175.456 174.900 0.173 0.000 1.176 114 G CA 0.154 45.317 45.100 0.105 0.000 0.968 114 G HN 0.286 nan 8.290 nan 0.000 0.583 115 E N 0.018 120.298 120.200 0.133 0.000 2.000 115 E HA 0.043 4.427 4.350 0.056 0.000 0.199 115 E C 1.588 178.310 176.600 0.204 0.000 1.011 115 E CA 1.270 57.761 56.400 0.152 0.000 0.836 115 E CB 0.171 29.920 29.700 0.082 0.000 0.778 115 E HN 0.507 nan 8.360 nan 0.000 0.462 116 L N -0.096 121.195 121.223 0.112 0.000 2.334 116 L HA 0.541 4.915 4.340 0.056 0.000 0.275 116 L C -1.302 175.570 176.870 0.004 0.000 1.036 116 L CA -0.546 54.347 54.840 0.090 0.000 0.807 116 L CB 1.499 43.591 42.059 0.055 0.000 1.231 116 L HN 0.132 nan 8.230 nan 0.000 0.438 117 A N 5.206 128.010 122.820 -0.027 0.000 2.359 117 A HA 0.692 5.046 4.320 0.056 0.000 0.303 117 A C -1.202 176.404 177.584 0.038 0.000 1.066 117 A CA -0.406 51.581 52.037 -0.083 0.000 0.730 117 A CB 0.970 19.766 19.000 -0.341 0.000 1.211 117 A HN 0.582 nan 8.150 nan 0.000 0.439 118 I N 2.821 123.430 120.570 0.065 0.000 2.339 118 I HA 0.441 4.645 4.170 0.056 0.000 0.290 118 I C -0.136 176.063 176.117 0.136 0.000 0.994 118 I CA -0.436 60.927 61.300 0.106 0.000 1.191 118 I CB 1.925 39.980 38.000 0.090 0.000 1.343 118 I HN 0.508 nan 8.210 nan 0.000 0.458 119 V N 3.604 123.636 119.914 0.196 0.000 2.495 119 V HA 0.719 4.873 4.120 0.056 0.000 0.298 119 V C -0.529 175.711 176.094 0.243 0.000 1.031 119 V CA -0.691 61.748 62.300 0.231 0.000 0.871 119 V CB 1.469 33.479 31.823 0.312 0.000 0.988 119 V HN 0.665 nan 8.190 nan 0.000 0.432 120 K N 2.857 123.361 120.400 0.173 0.000 2.482 120 K HA 0.602 4.956 4.320 0.056 0.000 0.257 120 K C -0.872 175.800 176.600 0.120 0.000 0.969 120 K CA -0.978 55.379 56.287 0.116 0.000 0.842 120 K CB 2.869 35.390 32.500 0.035 0.000 1.359 120 K HN 0.631 nan 8.250 nan 0.000 0.441 121 R N 1.548 122.104 120.500 0.093 0.000 2.401 121 R HA 0.106 4.480 4.340 0.056 0.000 0.299 121 R C 1.024 177.340 176.300 0.027 0.000 1.064 121 R CA 0.188 56.337 56.100 0.081 0.000 1.000 121 R CB 0.427 30.765 30.300 0.063 0.000 0.973 121 R HN 0.536 nan 8.270 nan 0.000 0.438 122 R N 0.449 120.962 120.500 0.022 0.000 2.139 122 R HA -0.124 4.250 4.340 0.056 0.000 0.243 122 R C 0.636 176.919 176.300 -0.028 0.000 1.145 122 R CA 1.939 58.034 56.100 -0.008 0.000 0.976 122 R CB 0.059 30.357 30.300 -0.004 0.000 0.866 122 R HN 0.719 nan 8.270 nan 0.000 0.449 123 T N -6.632 107.913 114.554 -0.015 0.000 2.843 123 T HA 0.459 4.843 4.350 0.056 0.000 0.302 123 T C 0.580 175.272 174.700 -0.014 0.000 1.232 123 T CA -0.317 61.767 62.100 -0.026 0.000 1.009 123 T CB 1.968 70.815 68.868 -0.036 0.000 1.254 123 T HN 0.167 nan 8.240 nan 0.000 0.504 124 G N 0.178 108.966 108.800 -0.020 0.000 2.180 124 G HA2 0.225 4.219 3.960 0.056 0.000 0.263 124 G HA3 0.225 4.219 3.960 0.056 0.000 0.263 124 G C 1.392 176.282 174.900 -0.015 0.000 0.989 124 G CA 0.939 46.032 45.100 -0.012 0.000 0.692 124 G HN 2.664 nan 8.290 nan 0.000 0.526 131 Q N 0.506 119.940 119.800 -0.609 0.000 2.280 131 Q HA 0.406 4.780 4.340 0.056 0.000 0.259 131 Q C -1.721 174.048 176.000 -0.386 0.000 0.964 131 Q CA -0.930 54.679 55.803 -0.324 0.000 0.844 131 Q CB 1.826 30.478 28.738 -0.143 0.000 1.334 131 Q HN 0.208 nan 8.270 nan 0.000 0.423 132 W N 3.871 125.191 121.300 0.033 0.000 2.587 132 W HA 0.493 5.188 4.660 0.058 0.000 0.324 132 W C -0.316 176.230 176.519 0.044 0.000 1.040 132 W CA -0.764 56.604 57.345 0.038 0.000 1.222 132 W CB 1.911 31.397 29.460 0.044 0.000 1.381 132 W HN 0.549 nan 8.180 nan 0.000 0.483 133 R N 2.989 123.621 120.500 0.220 0.000 2.369 133 R HA 0.360 4.734 4.340 0.056 0.000 0.310 133 R C -0.445 175.944 176.300 0.150 0.000 1.141 133 R CA -0.677 55.511 56.100 0.147 0.000 1.116 133 R CB 0.419 30.773 30.300 0.088 0.000 1.135 133 R HN 0.079 nan 8.270 nan 0.000 0.529 134 L N 1.784 123.103 121.223 0.159 0.000 2.352 134 L HA 0.545 4.919 4.340 0.056 0.000 0.269 134 L C 0.565 177.589 176.870 0.257 0.000 1.034 134 L CA -0.571 54.363 54.840 0.157 0.000 0.806 134 L CB 1.126 43.254 42.059 0.115 0.000 1.244 134 L HN 0.408 nan 8.230 nan 0.000 0.447 135 R N 0.020 120.667 120.500 0.245 0.000 2.888 135 R HA 0.604 4.978 4.340 0.056 0.000 0.266 135 R C 0.819 176.980 176.300 -0.231 0.000 1.020 135 R CA -0.385 55.875 56.100 0.267 0.000 0.963 135 R CB 1.560 31.909 30.300 0.082 0.000 1.197 135 R HN 0.728 nan 8.270 nan 0.000 0.481 136 A N 1.431 123.724 122.820 -0.878 0.000 2.023 136 A HA -0.297 4.057 4.320 0.056 0.000 0.223 136 A C 1.374 178.533 177.584 -0.708 0.000 1.180 136 A CA 2.464 53.691 52.037 -1.350 0.000 0.659 136 A CB -0.670 17.834 19.000 -0.826 0.000 0.817 136 A HN 0.842 nan 8.150 nan 0.000 0.466 137 N N -1.022 117.441 118.700 -0.394 0.000 2.325 137 N HA 0.006 4.780 4.740 0.056 0.000 0.182 137 N C 1.028 176.414 175.510 -0.206 0.000 1.088 137 N CA 0.947 53.843 53.050 -0.256 0.000 0.879 137 N CB -0.297 38.091 38.487 -0.165 0.000 0.983 137 N HN 0.660 nan 8.380 nan 0.000 0.471 138 E N 0.306 120.388 120.200 -0.196 0.000 2.442 138 E HA 0.039 4.423 4.350 0.056 0.000 0.195 138 E C 0.838 177.320 176.600 -0.196 0.000 1.030 138 E CA 0.382 56.702 56.400 -0.134 0.000 0.869 138 E CB -0.035 29.633 29.700 -0.054 0.000 0.857 138 E HN 0.297 nan 8.360 nan 0.000 0.505 139 T N 1.429 115.773 114.554 -0.350 0.000 2.771 139 T HA -0.286 4.098 4.350 0.056 0.000 0.262 139 T C 1.446 175.962 174.700 -0.307 0.000 1.027 139 T CA 1.752 63.503 62.100 -0.581 0.000 1.159 139 T CB -0.260 68.127 68.868 -0.802 0.000 0.844 139 T HN 0.269 nan 8.240 nan 0.000 0.478 140 E N -0.029 120.072 120.200 -0.165 0.000 2.489 140 E HA 0.072 4.456 4.350 0.056 0.000 0.193 140 E C 1.996 178.567 176.600 -0.049 0.000 1.057 140 E CA -0.154 56.217 56.400 -0.048 0.000 0.866 140 E CB 0.008 29.688 29.700 -0.034 0.000 0.916 140 E HN 0.500 nan 8.360 nan 0.000 0.500 141 Q N 0.333 120.081 119.800 -0.087 0.000 2.500 141 Q HA -0.051 4.323 4.340 0.056 0.000 0.213 141 Q C -0.196 175.708 176.000 -0.161 0.000 0.974 141 Q CA 0.411 56.163 55.803 -0.085 0.000 0.918 141 Q CB 0.300 29.003 28.738 -0.058 0.000 0.980 141 Q HN 0.084 nan 8.270 nan 0.000 0.505 142 L N 0.727 121.847 121.223 -0.172 0.000 2.334 142 L HA 0.484 4.858 4.340 0.056 0.000 0.273 142 L C -2.292 174.464 176.870 -0.190 0.000 1.013 142 L CA -2.478 52.168 54.840 -0.323 0.000 0.816 142 L CB 1.274 43.148 42.059 -0.307 0.000 1.278 142 L HN -0.081 nan 8.230 nan 0.000 0.431 143 P HA 0.150 nan 4.420 nan 0.000 0.270 143 P C -0.411 176.895 177.300 0.011 0.000 1.223 143 P CA -0.185 62.835 63.100 -0.134 0.000 0.785 143 P CB 0.630 32.227 31.700 -0.173 0.000 0.923 144 A N 1.347 124.275 122.820 0.180 0.000 2.169 144 A HA -0.071 4.283 4.320 0.056 0.000 0.212 144 A C 1.788 179.586 177.584 0.356 0.000 1.153 144 A CA 0.547 52.873 52.037 0.482 0.000 0.756 144 A CB -0.702 18.440 19.000 0.236 0.000 0.813 144 A HN 0.612 nan 8.150 nan 0.000 0.471 145 E N -0.398 119.866 120.200 0.107 0.000 2.049 145 E HA -0.249 4.135 4.350 0.056 0.000 0.198 145 E C 1.443 178.050 176.600 0.012 0.000 1.007 145 E CA 1.488 57.921 56.400 0.054 0.000 0.809 145 E CB -0.520 29.194 29.700 0.022 0.000 0.749 145 E HN 0.560 nan 8.360 nan 0.000 0.450 146 c N 1.156 119.676 118.600 -0.132 0.000 2.470 146 c HA -0.094 4.510 4.570 0.056 0.000 0.301 146 c C 0.252 174.163 174.090 -0.298 0.000 1.512 146 c CA -0.065 56.128 56.329 -0.228 0.000 1.678 146 c CB -2.249 40.047 42.510 -0.357 0.000 1.551 146 c HN 0.195 nan 8.230 nan 0.000 0.602 147 Y N 0.235 120.523 120.300 -0.021 0.000 2.477 147 Y HA 0.433 5.017 4.550 0.057 0.000 0.349 147 Y C 1.232 177.113 175.900 -0.033 0.000 0.977 147 Y CA 0.410 58.486 58.100 -0.040 0.000 1.214 147 Y CB 0.014 38.449 38.460 -0.041 0.000 1.124 147 Y HN 0.287 nan 8.280 nan 0.000 0.521 148 G N 2.543 111.381 108.800 0.063 0.000 2.225 148 G HA2 -0.265 3.729 3.960 0.056 0.000 0.264 148 G HA3 -0.265 3.729 3.960 0.056 0.000 0.264 148 G C 0.446 175.361 174.900 0.026 0.000 1.060 148 G CA 0.403 45.524 45.100 0.035 0.000 0.833 148 G HN 0.645 nan 8.290 nan 0.000 0.498 149 E N -1.735 118.472 120.200 0.011 0.000 2.671 149 E HA 0.190 4.574 4.350 0.056 0.000 0.204 149 E C -0.230 176.381 176.600 0.019 0.000 0.940 149 E CA 0.358 56.767 56.400 0.015 0.000 1.328 149 E CB 0.461 30.174 29.700 0.022 0.000 1.214 149 E HN 0.416 nan 8.360 nan 0.000 0.624 150 c N 0.717 119.320 118.600 0.004 0.000 2.985 150 c HA 0.604 5.208 4.570 0.056 0.000 0.314 150 c C -0.179 173.927 174.090 0.027 0.000 1.215 150 c CA -1.005 55.339 56.329 0.026 0.000 1.414 150 c CB 1.117 43.638 42.510 0.018 0.000 1.842 150 c HN 0.401 nan 8.230 nan 0.000 0.477 151 I N 0.494 121.105 120.570 0.068 0.000 2.947 151 I HA 0.920 5.124 4.170 0.056 0.000 0.314 151 I C -0.683 175.496 176.117 0.102 0.000 1.028 151 I CA -0.517 60.851 61.300 0.114 0.000 1.077 151 I CB 1.327 39.426 38.000 0.165 0.000 1.274 151 I HN 0.355 nan 8.210 nan 0.000 0.485 152 V N 2.391 122.380 119.914 0.126 0.000 2.569 152 V HA 0.535 4.689 4.120 0.056 0.000 0.301 152 V C -0.840 175.337 176.094 0.139 0.000 1.044 152 V CA -0.055 62.298 62.300 0.088 0.000 0.874 152 V CB 1.706 33.513 31.823 -0.026 0.000 1.002 152 V HN 0.955 nan 8.190 nan 0.000 0.424 153 E N 3.547 123.826 120.200 0.130 0.000 2.277 153 E HA 0.399 4.782 4.350 0.056 0.000 0.266 153 E C -1.114 175.539 176.600 0.089 0.000 0.901 153 E CA -0.778 55.710 56.400 0.148 0.000 0.782 153 E CB 2.388 32.190 29.700 0.170 0.000 1.228 153 E HN 0.765 nan 8.360 nan 0.000 0.424 154 Q N 0.976 120.832 119.800 0.094 0.000 2.311 154 Q HA 0.173 4.547 4.340 0.056 0.000 0.272 154 Q C -0.144 175.886 176.000 0.051 0.000 1.012 154 Q CA -0.314 55.524 55.803 0.058 0.000 0.891 154 Q CB 0.628 29.405 28.738 0.065 0.000 1.201 154 Q HN 0.705 nan 8.270 nan 0.000 0.391 155 G N 5.334 114.149 108.800 0.025 0.000 2.298 155 G HA2 0.229 4.223 3.960 0.056 0.000 0.263 155 G HA3 0.229 4.223 3.960 0.056 0.000 0.263 155 G C -0.289 174.598 174.900 -0.020 0.000 1.229 155 G CA -0.454 44.648 45.100 0.004 0.000 0.976 155 G HN 0.588 nan 8.290 nan 0.000 0.459 156 I N 2.764 123.299 120.570 -0.059 0.000 2.336 156 I HA 0.179 4.383 4.170 0.056 0.000 0.292 156 I C -0.331 175.693 176.117 -0.156 0.000 0.991 156 I CA -1.326 59.918 61.300 -0.093 0.000 1.227 156 I CB 1.351 39.268 38.000 -0.139 0.000 1.366 156 I HN 0.375 nan 8.210 nan 0.000 0.466 157 N N 7.859 126.483 118.700 -0.126 0.000 2.558 157 N HA 0.261 5.035 4.740 0.056 0.000 0.233 157 N C -0.521 174.902 175.510 -0.146 0.000 1.038 157 N CA -0.232 52.692 53.050 -0.210 0.000 0.934 157 N CB 0.681 39.085 38.487 -0.139 0.000 1.175 157 N HN 0.376 nan 8.380 nan 0.000 0.512 158 F N -0.746 119.099 119.950 -0.175 0.000 2.403 158 F HA 0.477 5.038 4.527 0.057 0.000 0.326 158 F C 1.412 177.204 175.800 -0.013 0.000 1.081 158 F CA -1.127 56.819 58.000 -0.090 0.000 1.041 158 F CB 0.583 39.514 39.000 -0.115 0.000 1.234 158 F HN 0.167 nan 8.300 nan 0.000 0.503 159 S N -0.648 115.206 115.700 0.256 0.000 2.503 159 S HA 0.589 5.093 4.470 0.056 0.000 0.217 159 S C 0.587 175.384 174.600 0.328 0.000 0.999 159 S CA 0.185 58.493 58.200 0.179 0.000 0.914 159 S CB -0.272 63.006 63.200 0.131 0.000 0.782 159 S HN 1.282 nan 8.310 nan 0.000 0.520 160 G N 0.008 109.148 108.800 0.566 0.000 2.547 160 G HA2 0.519 4.513 3.960 0.056 0.000 0.291 160 G HA3 0.519 4.513 3.960 0.056 0.000 0.291 160 G C -2.191 172.944 174.900 0.393 0.000 1.471 160 G CA -0.840 44.576 45.100 0.528 0.000 0.798 160 G HN 0.141 nan 8.290 nan 0.000 0.504 161 E N -0.557 119.820 120.200 0.294 0.000 2.187 161 E HA 0.602 4.986 4.350 0.056 0.000 0.268 161 E C -0.401 176.254 176.600 0.093 0.000 0.896 161 E CA -0.926 55.512 56.400 0.064 0.000 0.766 161 E CB 2.819 32.529 29.700 0.017 0.000 1.142 161 E HN 0.652 nan 8.360 nan 0.000 0.408 162 V N -0.641 119.254 119.914 -0.031 0.000 2.962 162 V HA 0.796 4.950 4.120 0.056 0.000 0.313 162 V C -0.474 175.553 176.094 -0.112 0.000 1.099 162 V CA -0.906 61.347 62.300 -0.078 0.000 0.971 162 V CB 1.830 33.573 31.823 -0.133 0.000 1.028 162 V HN 0.684 nan 8.190 nan 0.000 0.430 163 S N 3.007 118.656 115.700 -0.085 0.000 2.521 163 S HA 0.815 5.319 4.470 0.056 0.000 0.295 163 S C -1.194 173.376 174.600 -0.050 0.000 1.098 163 S CA -0.662 57.479 58.200 -0.099 0.000 0.999 163 S CB 1.699 64.845 63.200 -0.090 0.000 1.034 163 S HN 1.587 nan 8.310 nan 0.000 0.483 164 L N 3.968 125.153 121.223 -0.064 0.000 2.305 164 L HA 0.743 5.117 4.340 0.056 0.000 0.284 164 L C -1.305 175.607 176.870 0.071 0.000 1.013 164 L CA -0.481 54.374 54.840 0.025 0.000 0.819 164 L CB 1.450 43.510 42.059 0.000 0.000 1.227 164 L HN 0.650 nan 8.230 nan 0.000 0.417 165 V N 4.940 124.954 119.914 0.168 0.000 2.417 165 V HA 0.983 5.137 4.120 0.056 0.000 0.291 165 V C 0.521 176.773 176.094 0.263 0.000 1.024 165 V CA 0.023 62.426 62.300 0.173 0.000 0.861 165 V CB 0.719 32.596 31.823 0.089 0.000 0.985 165 V HN 0.986 nan 8.190 nan 0.000 0.436 166 G N 2.605 111.456 108.800 0.086 0.000 2.649 166 G HA2 0.856 4.850 3.960 0.056 0.000 0.290 166 G HA3 0.856 4.850 3.960 0.056 0.000 0.290 166 G C -1.475 173.269 174.900 -0.260 0.000 1.426 166 G CA -0.119 44.827 45.100 -0.257 0.000 0.794 166 G HN 1.102 nan 8.290 nan 0.000 0.483 167 A N -0.143 122.404 122.820 -0.454 0.000 2.498 167 A HA 0.914 5.268 4.320 0.056 0.000 0.298 167 A C -0.658 176.744 177.584 -0.303 0.000 1.075 167 A CA -0.687 51.193 52.037 -0.262 0.000 0.714 167 A CB 2.003 20.888 19.000 -0.193 0.000 1.299 167 A HN 0.674 nan 8.150 nan 0.000 0.407 168 R N 0.828 121.219 120.500 -0.183 0.000 2.480 168 R HA 0.537 4.910 4.340 0.056 0.000 0.306 168 R C 0.218 176.386 176.300 -0.220 0.000 0.958 168 R CA -0.169 55.834 56.100 -0.162 0.000 0.861 168 R CB 1.847 32.105 30.300 -0.071 0.000 1.171 168 R HN 1.024 nan 8.270 nan 0.000 0.445 169 G N 1.400 110.094 108.800 -0.177 0.000 2.547 169 G HA2 0.138 4.132 3.960 0.056 0.000 0.291 169 G HA3 0.138 4.132 3.960 0.056 0.000 0.291 169 G C 0.213 175.021 174.900 -0.153 0.000 1.211 169 G CA -0.479 44.512 45.100 -0.182 0.000 0.950 169 G HN 0.569 nan 8.290 nan 0.000 0.504 170 F N 0.098 119.997 119.950 -0.085 0.000 2.494 170 F HA -0.003 4.558 4.527 0.056 0.000 0.298 170 F C 2.165 177.936 175.800 -0.048 0.000 1.106 170 F CA 1.428 59.386 58.000 -0.070 0.000 1.452 170 F CB 0.254 39.217 39.000 -0.062 0.000 1.085 170 F HN 0.473 nan 8.300 nan 0.000 0.569 171 D N -2.024 118.447 120.400 0.118 0.000 2.395 171 D HA 0.193 4.867 4.640 0.056 0.000 0.213 171 D C 1.794 178.114 176.300 0.033 0.000 1.110 171 D CA 0.705 54.745 54.000 0.067 0.000 0.835 171 D CB -0.192 40.636 40.800 0.048 0.000 0.965 171 D HN 0.225 nan 8.370 nan 0.000 0.505 172 G N -0.013 108.796 108.800 0.014 0.000 2.179 172 G HA2 -0.282 3.711 3.960 0.056 0.000 0.260 172 G HA3 -0.282 3.711 3.960 0.056 0.000 0.260 172 G C 0.341 175.238 174.900 -0.007 0.000 0.977 172 G CA 0.266 45.368 45.100 0.003 0.000 0.641 172 G HN 0.420 nan 8.290 nan 0.000 0.533 173 S N 0.755 116.444 115.700 -0.018 0.000 2.576 173 S HA 0.591 5.095 4.470 0.056 0.000 0.276 173 S C 0.553 175.111 174.600 -0.071 0.000 1.339 173 S CA 0.657 58.840 58.200 -0.029 0.000 1.039 173 S CB 1.453 64.634 63.200 -0.032 0.000 0.902 173 S HN 1.365 nan 8.310 nan 0.000 0.516 174 T N -1.152 113.358 114.554 -0.073 0.000 2.900 174 T HA 0.742 5.126 4.350 0.056 0.000 0.295 174 T C -0.618 173.932 174.700 -0.250 0.000 1.044 174 T CA -0.888 61.100 62.100 -0.188 0.000 0.995 174 T CB 1.073 69.895 68.868 -0.076 0.000 1.072 174 T HN 0.618 nan 8.240 nan 0.000 0.473 175 V N -0.299 119.292 119.914 -0.538 0.000 3.007 175 V HA 0.949 5.103 4.120 0.056 0.000 0.311 175 V C -1.495 174.059 176.094 -0.900 0.000 1.120 175 V CA -1.274 60.741 62.300 -0.475 0.000 0.980 175 V CB 1.479 33.099 31.823 -0.339 0.000 1.033 175 V HN 0.929 nan 8.190 nan 0.000 0.429 176 F N 0.803 120.627 119.950 -0.209 0.000 2.599 176 F HA 0.780 5.341 4.527 0.058 0.000 0.311 176 F C -0.523 175.134 175.800 -0.239 0.000 1.076 176 F CA -0.720 57.169 58.000 -0.185 0.000 0.937 176 F CB 1.941 40.905 39.000 -0.060 0.000 1.282 176 F HN 0.513 nan 8.300 nan 0.000 0.460 177 Y N 1.501 121.917 120.300 0.194 0.000 2.408 177 Y HA 0.496 5.080 4.550 0.056 0.000 0.324 177 Y C -2.020 174.022 175.900 0.237 0.000 1.302 177 Y CA -2.138 56.064 58.100 0.171 0.000 1.384 177 Y CB 0.279 38.779 38.460 0.066 0.000 1.367 177 Y HN 0.250 nan 8.280 nan 0.000 0.525 178 P HA 0.126 nan 4.420 nan 0.000 0.274 178 P C -0.679 176.802 177.300 0.301 0.000 1.256 178 P CA -0.334 62.960 63.100 0.323 0.000 0.795 178 P CB 0.586 32.466 31.700 0.300 0.000 1.038 179 L N 0.352 121.671 121.223 0.160 0.000 2.461 179 L HA 0.154 4.528 4.340 0.056 0.000 0.272 179 L C 0.667 177.559 176.870 0.037 0.000 1.197 179 L CA 0.716 55.591 54.840 0.060 0.000 0.836 179 L CB -0.140 41.888 42.059 -0.053 0.000 1.105 179 L HN 0.317 nan 8.230 nan 0.000 0.477 180 T N 1.380 115.942 114.554 0.012 0.000 2.807 180 T HA 0.322 4.705 4.350 0.056 0.000 0.279 180 T C -0.400 174.255 174.700 -0.074 0.000 0.993 180 T CA -0.611 61.523 62.100 0.056 0.000 0.970 180 T CB 0.723 69.770 68.868 0.298 0.000 0.950 180 T HN 0.328 nan 8.240 nan 0.000 0.441 181 H N 3.385 122.566 119.070 0.186 0.000 2.690 181 H HA 0.297 4.886 4.556 0.055 0.000 0.314 181 H C -0.048 175.495 175.328 0.357 0.000 1.069 181 H CA 0.012 56.230 56.048 0.283 0.000 1.436 181 H CB 0.664 30.590 29.762 0.274 0.000 1.462 181 H HN 0.593 nan 8.280 nan 0.000 0.511 182 N N 2.460 121.364 118.700 0.340 0.000 2.314 182 N HA 0.347 5.121 4.740 0.056 0.000 0.304 182 N C -1.079 174.335 175.510 -0.160 0.000 1.073 182 N CA -0.783 52.317 53.050 0.083 0.000 0.822 182 N CB 2.251 40.737 38.487 -0.001 0.000 1.280 182 N HN 0.280 nan 8.380 nan 0.000 0.489 183 L N 2.066 122.950 121.223 -0.564 0.000 2.372 183 L HA 0.437 4.811 4.340 0.056 0.000 0.273 183 L C -1.424 175.099 176.870 -0.579 0.000 0.989 183 L CA -0.418 53.956 54.840 -0.777 0.000 0.841 183 L CB 0.446 41.578 42.059 -1.544 0.000 1.225 183 L HN 0.640 nan 8.230 nan 0.000 0.414 184 H N 3.087 122.036 119.070 -0.203 0.000 2.463 184 H HA 0.690 5.280 4.556 0.058 0.000 0.332 184 H C -0.835 174.426 175.328 -0.111 0.000 1.127 184 H CA -0.361 55.617 56.048 -0.117 0.000 1.238 184 H CB 1.415 31.157 29.762 -0.033 0.000 1.478 184 H HN 0.533 nan 8.280 nan 0.000 0.499 185 Q N 1.440 121.247 119.800 0.011 0.000 2.271 185 Q HA 0.170 4.544 4.340 0.056 0.000 0.268 185 Q C -0.938 175.054 176.000 -0.013 0.000 1.021 185 Q CA -0.692 55.097 55.803 -0.023 0.000 0.802 185 Q CB 2.154 30.843 28.738 -0.082 0.000 1.282 185 Q HN 0.740 nan 8.270 nan 0.000 0.431 186 D N 1.492 121.888 120.400 -0.007 0.000 2.837 186 D HA -0.182 4.492 4.640 0.056 0.000 0.230 186 D C 0.627 176.918 176.300 -0.015 0.000 1.152 186 D CA 1.819 55.809 54.000 -0.017 0.000 0.736 186 D CB -0.826 39.956 40.800 -0.029 0.000 1.084 186 D HN 1.133 nan 8.370 nan 0.000 0.429 187 G N -0.764 108.043 108.800 0.011 0.000 2.179 187 G HA2 -0.294 3.700 3.960 0.056 0.000 0.257 187 G HA3 -0.294 3.700 3.960 0.056 0.000 0.257 187 G C 0.308 175.245 174.900 0.061 0.000 1.010 187 G CA 0.560 45.667 45.100 0.011 0.000 0.736 187 G HN 0.514 nan 8.290 nan 0.000 0.513 188 I N -0.327 120.294 120.570 0.085 0.000 2.646 188 I HA 0.490 4.693 4.170 0.056 0.000 0.299 188 I C 0.189 176.322 176.117 0.027 0.000 1.036 188 I CA -1.442 59.896 61.300 0.064 0.000 1.074 188 I CB 1.705 39.696 38.000 -0.014 0.000 1.258 188 I HN 0.041 nan 8.210 nan 0.000 0.430 189 L N 6.210 127.396 121.223 -0.061 0.000 2.369 189 L HA 0.277 4.651 4.340 0.056 0.000 0.279 189 L C 1.140 177.875 176.870 -0.225 0.000 1.108 189 L CA 0.563 55.207 54.840 -0.326 0.000 0.852 189 L CB 0.071 41.939 42.059 -0.318 0.000 1.169 189 L HN 0.500 nan 8.230 nan 0.000 0.452 190 R N 2.269 122.605 120.500 -0.273 0.000 2.121 190 R HA 0.313 4.687 4.340 0.056 0.000 0.206 190 R C -0.107 176.114 176.300 -0.131 0.000 1.094 190 R CA 0.442 56.427 56.100 -0.193 0.000 1.055 190 R CB 0.304 30.476 30.300 -0.212 0.000 0.964 190 R HN 0.608 nan 8.270 nan 0.000 0.473 191 T N 0.242 114.679 114.554 -0.194 0.000 2.912 191 T HA 0.411 4.795 4.350 0.056 0.000 0.299 191 T C -0.976 173.743 174.700 0.030 0.000 1.052 191 T CA -0.329 61.755 62.100 -0.027 0.000 0.996 191 T CB 2.768 71.698 68.868 0.103 0.000 1.070 191 T HN -0.127 nan 8.240 nan 0.000 0.465 192 S N 1.330 117.148 115.700 0.197 0.000 2.526 192 S HA 0.803 5.306 4.470 0.056 0.000 0.293 192 S C -0.999 173.737 174.600 0.227 0.000 1.092 192 S CA -0.613 57.733 58.200 0.245 0.000 0.980 192 S CB 1.447 64.760 63.200 0.189 0.000 1.048 192 S HN 0.507 nan 8.310 nan 0.000 0.483 193 V N 2.036 122.061 119.914 0.185 0.000 2.623 193 V HA 0.825 4.979 4.120 0.056 0.000 0.304 193 V C -0.484 175.482 176.094 -0.212 0.000 1.054 193 V CA -0.702 61.547 62.300 -0.085 0.000 0.882 193 V CB 1.554 33.284 31.823 -0.156 0.000 1.002 193 V HN 0.966 nan 8.190 nan 0.000 0.424 194 A N 4.601 127.051 122.820 -0.616 0.000 2.330 194 A HA 0.914 5.268 4.320 0.056 0.000 0.313 194 A C -1.238 175.942 177.584 -0.674 0.000 1.124 194 A CA -0.331 51.298 52.037 -0.680 0.000 0.774 194 A CB 0.763 18.831 19.000 -1.554 0.000 1.198 194 A HN 0.600 nan 8.150 nan 0.000 0.465 195 F N 3.357 123.222 119.950 -0.141 0.000 2.420 195 F HA 0.450 5.014 4.527 0.062 0.000 0.342 195 F C -1.261 174.530 175.800 -0.015 0.000 1.113 195 F CA -1.777 56.183 58.000 -0.068 0.000 1.059 195 F CB 1.724 40.696 39.000 -0.048 0.000 1.128 195 F HN 0.456 nan 8.300 nan 0.000 0.475 196 P HA -0.210 nan 4.420 nan 0.000 0.217 196 P C -0.138 177.263 177.300 0.169 0.000 1.151 196 P CA 1.394 64.591 63.100 0.162 0.000 0.849 196 P CB 0.267 32.054 31.700 0.144 0.000 0.787 197 Q N -1.019 118.882 119.800 0.168 0.000 2.394 197 Q HA 0.604 4.978 4.340 0.056 0.000 0.261 197 Q C -0.663 175.398 176.000 0.102 0.000 1.023 197 Q CA -0.498 55.375 55.803 0.116 0.000 0.720 197 Q CB 1.385 30.167 28.738 0.073 0.000 1.241 197 Q HN 0.054 nan 8.270 nan 0.000 0.483 198 A N 2.745 125.630 122.820 0.109 0.000 2.250 198 A HA 0.342 4.696 4.320 0.056 0.000 0.283 198 A C -0.026 177.581 177.584 0.039 0.000 1.206 198 A CA -0.542 51.551 52.037 0.094 0.000 0.840 198 A CB 0.309 19.368 19.000 0.099 0.000 1.220 198 A HN 0.785 nan 8.150 nan 0.000 0.505 199 N N 0.267 118.985 118.700 0.029 0.000 2.431 199 N HA 0.172 4.946 4.740 0.056 0.000 0.265 199 N C 1.121 176.632 175.510 0.002 0.000 1.184 199 N CA 0.448 53.501 53.050 0.005 0.000 0.943 199 N CB 1.157 39.648 38.487 0.006 0.000 1.080 199 N HN 0.590 nan 8.380 nan 0.000 0.477 200 A N 4.443 127.262 122.820 -0.002 0.000 1.903 200 A HA -0.248 4.106 4.320 0.056 0.000 0.219 200 A C 1.950 179.524 177.584 -0.017 0.000 1.191 200 A CA 1.477 53.510 52.037 -0.006 0.000 0.638 200 A CB -0.359 18.638 19.000 -0.006 0.000 0.823 200 A HN 0.745 nan 8.150 nan 0.000 0.451 201 Q N -0.743 119.047 119.800 -0.016 0.000 2.119 201 Q HA -0.123 4.251 4.340 0.056 0.000 0.201 201 Q C 2.135 178.119 176.000 -0.028 0.000 0.972 201 Q CA 1.694 57.485 55.803 -0.021 0.000 0.847 201 Q CB -0.486 28.243 28.738 -0.015 0.000 0.903 201 Q HN 0.843 nan 8.270 nan 0.000 0.433 202 Q N -0.219 119.568 119.800 -0.021 0.000 2.046 202 Q HA -0.205 4.169 4.340 0.056 0.000 0.200 202 Q C 2.079 178.051 176.000 -0.048 0.000 0.975 202 Q CA 1.444 57.232 55.803 -0.026 0.000 0.836 202 Q CB 0.070 28.804 28.738 -0.006 0.000 0.896 202 Q HN 0.297 nan 8.270 nan 0.000 0.428 203 Q N 0.310 120.086 119.800 -0.040 0.000 2.061 203 Q HA -0.187 4.187 4.340 0.056 0.000 0.204 203 Q C 1.794 177.725 176.000 -0.115 0.000 0.984 203 Q CA 1.946 57.713 55.803 -0.060 0.000 0.846 203 Q CB -0.374 28.350 28.738 -0.023 0.000 0.902 203 Q HN 0.378 nan 8.270 nan 0.000 0.421 204 A N 0.648 123.413 122.820 -0.092 0.000 1.851 204 A HA -0.262 4.092 4.320 0.056 0.000 0.216 204 A C 2.145 179.651 177.584 -0.131 0.000 1.195 204 A CA 2.033 54.005 52.037 -0.108 0.000 0.622 204 A CB -0.873 18.088 19.000 -0.065 0.000 0.831 204 A HN 0.368 nan 8.150 nan 0.000 0.444 205 R N 0.285 120.727 120.500 -0.098 0.000 2.113 205 R HA -0.161 4.213 4.340 0.056 0.000 0.244 205 R C 2.178 178.399 176.300 -0.132 0.000 1.142 205 R CA 2.376 58.420 56.100 -0.095 0.000 0.953 205 R CB -1.379 28.880 30.300 -0.068 0.000 0.860 205 R HN 0.468 nan 8.270 nan 0.000 0.438 206 A N 0.468 123.199 122.820 -0.149 0.000 1.933 206 A HA -0.137 4.217 4.320 0.056 0.000 0.218 206 A C 2.092 179.512 177.584 -0.273 0.000 1.175 206 A CA 1.650 53.579 52.037 -0.179 0.000 0.628 206 A CB -0.460 18.447 19.000 -0.154 0.000 0.814 206 A HN 0.559 nan 8.150 nan 0.000 0.444 207 E N -0.455 119.516 120.200 -0.383 0.000 2.077 207 E HA -0.219 4.165 4.350 0.056 0.000 0.193 207 E C 2.011 178.363 176.600 -0.413 0.000 0.989 207 E CA 1.255 57.236 56.400 -0.698 0.000 0.800 207 E CB -0.185 29.052 29.700 -0.772 0.000 0.746 207 E HN 0.737 nan 8.360 nan 0.000 0.452 208 E N 0.398 120.457 120.200 -0.236 0.000 2.086 208 E HA -0.250 4.133 4.350 0.056 0.000 0.200 208 E C 2.085 178.628 176.600 -0.096 0.000 1.012 208 E CA 1.474 57.798 56.400 -0.127 0.000 0.812 208 E CB -0.041 29.605 29.700 -0.089 0.000 0.743 208 E HN 0.191 nan 8.360 nan 0.000 0.453 209 M N -0.131 119.400 119.600 -0.115 0.000 2.065 209 M HA -0.205 4.309 4.480 0.056 0.000 0.259 209 M C 2.290 178.552 176.300 -0.064 0.000 1.071 209 M CA 1.132 56.376 55.300 -0.093 0.000 1.109 209 M CB -0.263 32.257 32.600 -0.133 0.000 1.313 209 M HN 0.150 nan 8.290 nan 0.000 0.408 210 L N -0.224 120.955 121.223 -0.073 0.000 2.079 210 L HA -0.187 4.187 4.340 0.056 0.000 0.210 210 L C 2.318 179.254 176.870 0.109 0.000 1.081 210 L CA 1.933 56.791 54.840 0.029 0.000 0.752 210 L CB -0.784 41.360 42.059 0.142 0.000 0.896 210 L HN 0.246 nan 8.230 nan 0.000 0.433 211 S N -0.148 115.618 115.700 0.110 0.000 2.345 211 S HA -0.137 4.367 4.470 0.056 0.000 0.220 211 S C 2.146 176.792 174.600 0.077 0.000 1.031 211 S CA 1.046 59.337 58.200 0.153 0.000 0.996 211 S CB -0.859 62.432 63.200 0.152 0.000 0.882 211 S HN 0.646 nan 8.310 nan 0.000 0.445 212 A N 2.051 124.894 122.820 0.038 0.000 1.896 212 A HA -0.200 4.154 4.320 0.056 0.000 0.220 212 A C 2.080 179.683 177.584 0.033 0.000 1.206 212 A CA 1.836 53.891 52.037 0.030 0.000 0.647 212 A CB -1.082 17.929 19.000 0.018 0.000 0.828 212 A HN 0.482 nan 8.150 nan 0.000 0.455 213 I N -1.050 119.539 120.570 0.031 0.000 2.058 213 I HA -0.361 3.843 4.170 0.056 0.000 0.235 213 I C 2.838 178.966 176.117 0.019 0.000 1.053 213 I CA 2.142 63.458 61.300 0.026 0.000 1.313 213 I CB -0.514 37.501 38.000 0.026 0.000 1.039 213 I HN 0.363 nan 8.210 nan 0.000 0.396 214 M N 0.108 119.728 119.600 0.034 0.000 2.144 214 M HA -0.270 4.243 4.480 0.056 0.000 0.260 214 M C 2.456 178.798 176.300 0.070 0.000 1.067 214 M CA 1.958 57.296 55.300 0.063 0.000 1.095 214 M CB -0.596 32.066 32.600 0.104 0.000 1.365 214 M HN 0.434 nan 8.290 nan 0.000 0.406 215 Q N 0.843 120.675 119.800 0.054 0.000 2.049 215 Q HA -0.236 4.138 4.340 0.056 0.000 0.198 215 Q C 1.722 177.740 176.000 0.030 0.000 0.971 215 Q CA 1.871 57.700 55.803 0.042 0.000 0.833 215 Q CB -0.463 28.299 28.738 0.040 0.000 0.896 215 Q HN 0.533 nan 8.270 nan 0.000 0.434 216 E N 0.741 120.955 120.200 0.024 0.000 2.130 216 E HA -0.200 4.184 4.350 0.056 0.000 0.196 216 E C 1.823 178.425 176.600 0.004 0.000 0.998 216 E CA 1.209 57.615 56.400 0.011 0.000 0.806 216 E CB -0.205 29.498 29.700 0.005 0.000 0.738 216 E HN 0.388 nan 8.360 nan 0.000 0.459 217 L N -0.194 121.034 121.223 0.008 0.000 2.240 217 L HA 0.221 4.595 4.340 0.056 0.000 0.211 217 L C 1.858 178.742 176.870 0.023 0.000 1.106 217 L CA 1.737 56.581 54.840 0.006 0.000 0.793 217 L CB -0.842 41.228 42.059 0.019 0.000 0.927 217 L HN 0.504 nan 8.230 nan 0.000 0.446 218 G N -1.895 106.927 108.800 0.036 0.000 2.147 218 G HA2 -0.370 3.624 3.960 0.056 0.000 0.244 218 G HA3 -0.370 3.624 3.960 0.056 0.000 0.244 218 G C 0.255 175.165 174.900 0.018 0.000 1.005 218 G CA 0.255 45.369 45.100 0.023 0.000 0.713 218 G HN 0.302 nan 8.290 nan 0.000 0.515 219 Y N 0.328 120.568 120.300 -0.100 0.000 2.610 219 Y HA 0.393 4.976 4.550 0.055 0.000 0.332 219 Y C 0.464 176.252 175.900 -0.187 0.000 1.201 219 Y CA 0.300 58.315 58.100 -0.142 0.000 1.465 219 Y CB 0.904 39.294 38.460 -0.115 0.000 1.283 219 Y HN 0.174 nan 8.280 nan 0.000 0.563 220 V N 6.672 126.055 119.914 -0.884 0.000 2.376 220 V HA 0.767 4.921 4.120 0.056 0.000 0.287 220 V C 0.324 175.787 176.094 -1.050 0.000 1.015 220 V CA 0.190 61.952 62.300 -0.897 0.000 0.834 220 V CB 0.486 31.660 31.823 -1.082 0.000 1.001 220 V HN 1.180 nan 8.190 nan 0.000 0.428 221 G N 3.950 112.348 108.800 -0.669 0.000 2.265 221 G HA2 0.057 4.051 3.960 0.056 0.000 0.246 221 G HA3 0.057 4.051 3.960 0.056 0.000 0.246 221 G C -0.986 173.927 174.900 0.022 0.000 1.299 221 G CA -0.329 44.497 45.100 -0.456 0.000 1.117 221 G HN 0.665 nan 8.290 nan 0.000 0.485 222 V N 1.363 121.505 119.914 0.381 0.000 2.607 222 V HA 0.731 4.885 4.120 0.056 0.000 0.289 222 V C 0.618 176.945 176.094 0.389 0.000 1.053 222 V CA 0.463 62.959 62.300 0.327 0.000 0.996 222 V CB 1.364 33.336 31.823 0.248 0.000 0.995 222 V HN 1.023 nan 8.190 nan 0.000 0.476 223 M N 4.015 123.717 119.600 0.170 0.000 2.470 223 M HA 0.800 5.314 4.480 0.056 0.000 0.285 223 M C -1.324 174.951 176.300 -0.043 0.000 1.213 223 M CA -0.483 54.814 55.300 -0.005 0.000 0.901 223 M CB 2.156 34.570 32.600 -0.310 0.000 1.718 223 M HN 0.715 nan 8.290 nan 0.000 0.469 224 A N 4.618 127.374 122.820 -0.106 0.000 2.355 224 A HA 0.857 5.211 4.320 0.056 0.000 0.324 224 A C -1.310 176.144 177.584 -0.217 0.000 1.117 224 A CA -0.816 51.117 52.037 -0.173 0.000 0.785 224 A CB 1.700 20.512 19.000 -0.313 0.000 1.254 224 A HN 0.993 nan 8.150 nan 0.000 0.453 225 M N 2.320 121.797 119.600 -0.206 0.000 2.142 225 M HA 0.364 4.878 4.480 0.056 0.000 0.299 225 M C -1.193 174.946 176.300 -0.269 0.000 0.960 225 M CA -0.093 55.077 55.300 -0.217 0.000 0.920 225 M CB 1.222 33.725 32.600 -0.161 0.000 1.541 225 M HN 0.766 nan 8.290 nan 0.000 0.429 226 E N 3.959 123.966 120.200 -0.320 0.000 2.200 226 E HA 0.403 4.787 4.350 0.056 0.000 0.283 226 E C -1.124 175.204 176.600 -0.454 0.000 1.015 226 E CA -0.474 55.712 56.400 -0.356 0.000 0.819 226 E CB 1.554 31.047 29.700 -0.345 0.000 1.081 226 E HN 0.684 nan 8.360 nan 0.000 0.397 227 C N 2.683 121.725 119.300 -0.429 0.000 2.848 227 C HA 0.577 5.071 4.460 0.056 0.000 0.317 227 C C -0.833 173.871 174.990 -0.477 0.000 1.260 227 C CA -0.819 57.923 59.018 -0.461 0.000 1.656 227 C CB 0.658 28.242 27.740 -0.260 0.000 2.174 227 C HN 0.618 nan 8.230 nan 0.000 0.479 228 F N 0.905 120.724 119.950 -0.218 0.000 2.469 228 F HA 0.562 5.123 4.527 0.057 0.000 0.332 228 F C 0.109 175.867 175.800 -0.070 0.000 1.103 228 F CA -0.957 56.898 58.000 -0.243 0.000 0.979 228 F CB 1.144 40.021 39.000 -0.204 0.000 1.137 228 F HN 0.147 nan 8.300 nan 0.000 0.463 229 V N 2.289 122.344 119.914 0.235 0.000 2.364 229 V HA 0.534 4.688 4.120 0.056 0.000 0.272 229 V C 0.080 176.313 176.094 0.232 0.000 1.036 229 V CA -0.439 61.980 62.300 0.199 0.000 0.880 229 V CB 0.924 32.862 31.823 0.192 0.000 0.991 229 V HN 0.881 nan 8.190 nan 0.000 0.460 230 T N 3.013 117.662 114.554 0.159 0.000 2.916 230 T HA 0.533 4.917 4.350 0.056 0.000 0.292 230 T C -1.869 172.880 174.700 0.081 0.000 1.055 230 T CA -2.044 60.132 62.100 0.127 0.000 1.009 230 T CB 2.556 71.496 68.868 0.120 0.000 1.118 230 T HN 0.346 nan 8.240 nan 0.000 0.497 231 P HA -0.104 nan 4.420 nan 0.000 0.216 231 P C 0.880 178.201 177.300 0.037 0.000 1.150 231 P CA 1.282 64.407 63.100 0.041 0.000 0.837 231 P CB -0.003 31.715 31.700 0.030 0.000 0.786 232 Q N -0.745 119.081 119.800 0.042 0.000 2.444 232 Q HA 0.384 4.757 4.340 0.056 0.000 0.206 232 Q C 1.073 177.094 176.000 0.035 0.000 0.948 232 Q CA 0.562 56.386 55.803 0.036 0.000 0.946 232 Q CB -0.117 28.642 28.738 0.037 0.000 1.027 232 Q HN 0.278 nan 8.270 nan 0.000 0.513 233 G N -0.409 108.416 108.800 0.042 0.000 2.434 233 G HA2 -0.134 3.860 3.960 0.056 0.000 0.671 233 G HA3 -0.134 3.860 3.960 0.056 0.000 0.671 233 G C -1.379 173.547 174.900 0.043 0.000 1.280 233 G CA -1.206 43.913 45.100 0.033 0.000 0.975 233 G HN 0.058 nan 8.290 nan 0.000 0.510 234 L N -0.437 120.796 121.223 0.016 0.000 2.439 234 L HA 0.660 5.034 4.340 0.056 0.000 0.269 234 L C 0.120 176.979 176.870 -0.019 0.000 1.179 234 L CA -0.349 54.491 54.840 0.000 0.000 0.828 234 L CB 0.847 42.878 42.059 -0.047 0.000 1.106 234 L HN 0.545 nan 8.230 nan 0.000 0.467 235 L N 3.603 124.812 121.223 -0.024 0.000 2.408 235 L HA 0.498 4.872 4.340 0.056 0.000 0.268 235 L C -0.482 176.257 176.870 -0.219 0.000 0.986 235 L CA -0.230 54.575 54.840 -0.058 0.000 0.820 235 L CB 1.915 44.028 42.059 0.091 0.000 1.303 235 L HN 0.321 nan 8.230 nan 0.000 0.411 236 I N 2.288 122.645 120.570 -0.354 0.000 2.441 236 I HA 0.176 4.380 4.170 0.056 0.000 0.287 236 I C 0.988 176.779 176.117 -0.543 0.000 1.049 236 I CA 0.196 61.160 61.300 -0.560 0.000 1.381 236 I CB 0.849 38.294 38.000 -0.927 0.000 1.409 236 I HN 0.742 nan 8.210 nan 0.000 0.523 237 N N 4.522 122.866 118.700 -0.593 0.000 2.517 237 N HA 0.115 4.889 4.740 0.056 0.000 0.202 237 N C -0.018 175.333 175.510 -0.264 0.000 1.042 237 N CA 0.766 53.496 53.050 -0.534 0.000 0.952 237 N CB 0.520 38.390 38.487 -1.028 0.000 1.211 237 N HN 0.653 nan 8.380 nan 0.000 0.458 238 E N -0.787 119.253 120.200 -0.267 0.000 2.408 238 E HA 0.409 4.793 4.350 0.056 0.000 0.275 238 E C -1.929 174.610 176.600 -0.101 0.000 0.935 238 E CA -0.774 55.560 56.400 -0.111 0.000 0.775 238 E CB 1.550 31.161 29.700 -0.148 0.000 1.277 238 E HN 0.046 nan 8.360 nan 0.000 0.455 239 L N 1.645 122.853 121.223 -0.025 0.000 2.362 239 L HA 0.648 5.022 4.340 0.056 0.000 0.275 239 L C -1.101 175.723 176.870 -0.077 0.000 0.998 239 L CA -0.397 54.409 54.840 -0.057 0.000 0.820 239 L CB 1.665 43.723 42.059 -0.002 0.000 1.270 239 L HN 0.590 nan 8.230 nan 0.000 0.415 240 A N 5.589 128.346 122.820 -0.105 0.000 2.311 240 A HA 0.796 5.149 4.320 0.056 0.000 0.306 240 A C -2.390 175.169 177.584 -0.043 0.000 1.189 240 A CA -1.245 50.771 52.037 -0.035 0.000 0.791 240 A CB 0.836 19.860 19.000 0.040 0.000 1.172 240 A HN 0.486 nan 8.150 nan 0.000 0.481 241 P HA 0.211 nan 4.420 nan 0.000 0.220 241 P C -0.543 176.945 177.300 0.315 0.000 1.778 241 P CA 0.211 63.365 63.100 0.090 0.000 0.912 241 P CB -0.752 31.146 31.700 0.330 0.000 1.861 242 R N -2.334 118.267 120.500 0.169 0.000 2.829 242 R HA 0.381 4.755 4.340 0.056 0.000 0.284 242 R C -0.823 175.469 176.300 -0.012 0.000 1.006 242 R CA -1.159 54.990 56.100 0.082 0.000 0.844 242 R CB -0.134 30.192 30.300 0.044 0.000 1.309 242 R HN -0.182 nan 8.270 nan 0.000 0.494 243 V N -0.766 119.054 119.914 -0.156 0.000 2.788 243 V HA 0.185 4.339 4.120 0.056 0.000 0.307 243 V C 0.237 176.282 176.094 -0.083 0.000 1.069 243 V CA 0.195 62.371 62.300 -0.206 0.000 1.173 243 V CB 0.253 31.827 31.823 -0.415 0.000 0.925 243 V HN 0.715 nan 8.190 nan 0.000 0.492 244 H N 2.805 121.734 119.070 -0.236 0.000 2.679 244 H HA 0.313 4.903 4.556 0.056 0.000 0.367 244 H C 0.880 175.979 175.328 -0.382 0.000 1.162 244 H CA -0.156 55.759 56.048 -0.221 0.000 1.181 244 H CB 2.137 31.796 29.762 -0.172 0.000 1.693 244 H HN 0.882 nan 8.280 nan 0.000 0.538 245 N N 0.862 118.982 118.700 -0.966 0.000 2.091 245 N HA -0.231 4.543 4.740 0.056 0.000 0.193 245 N C 1.471 176.501 175.510 -0.800 0.000 1.021 245 N CA 1.897 54.253 53.050 -1.158 0.000 0.862 245 N CB 0.101 38.091 38.487 -0.829 0.000 1.018 245 N HN 0.573 nan 8.380 nan 0.000 0.429 246 S N -1.584 113.935 115.700 -0.302 0.000 2.595 246 S HA 0.043 4.547 4.470 0.056 0.000 0.235 246 S C 1.434 176.033 174.600 -0.003 0.000 0.974 246 S CA 0.615 58.814 58.200 -0.002 0.000 0.942 246 S CB 0.241 63.563 63.200 0.204 0.000 0.766 246 S HN 0.400 nan 8.310 nan 0.000 0.536 247 G N -0.276 108.385 108.800 -0.233 0.000 3.192 247 G HA2 0.167 4.161 3.960 0.056 0.000 0.239 247 G HA3 0.167 4.161 3.960 0.056 0.000 0.239 247 G C 0.765 175.339 174.900 -0.544 0.000 1.084 247 G CA -0.338 44.448 45.100 -0.523 0.000 0.784 247 G HN 0.468 nan 8.290 nan 0.000 0.540 248 H N 0.785 119.641 119.070 -0.357 0.000 2.466 248 H HA -0.147 4.449 4.556 0.067 0.000 0.297 248 H C 2.311 177.560 175.328 -0.132 0.000 1.113 248 H CA 0.964 56.845 56.048 -0.278 0.000 1.273 248 H CB -0.291 29.125 29.762 -0.577 0.000 1.371 248 H HN 0.835 nan 8.280 nan 0.000 0.528 249 W N 1.334 122.630 121.300 -0.006 0.000 2.350 249 W HA -0.194 4.497 4.660 0.051 0.000 0.289 249 W C 1.571 178.073 176.519 -0.029 0.000 1.215 249 W CA 1.535 58.885 57.345 0.010 0.000 1.236 249 W CB -1.334 28.123 29.460 -0.005 0.000 1.130 249 W HN 0.235 nan 8.180 nan 0.000 0.541 250 T N 0.161 114.363 114.554 -0.587 0.000 2.918 250 T HA -0.287 4.097 4.350 0.056 0.000 0.271 250 T C 1.565 176.175 174.700 -0.150 0.000 1.104 250 T CA 1.978 63.669 62.100 -0.681 0.000 1.114 250 T CB -0.665 67.461 68.868 -1.236 0.000 0.855 250 T HN 0.449 nan 8.240 nan 0.000 0.518 251 Q N 1.104 120.899 119.800 -0.009 0.000 2.291 251 Q HA 0.043 4.417 4.340 0.056 0.000 0.205 251 Q C 1.331 177.372 176.000 0.069 0.000 0.970 251 Q CA 1.458 57.303 55.803 0.070 0.000 0.876 251 Q CB -0.184 28.597 28.738 0.072 0.000 0.935 251 Q HN 0.708 nan 8.270 nan 0.000 0.455 252 N N -1.682 117.070 118.700 0.087 0.000 2.118 252 N HA 0.118 4.892 4.740 0.056 0.000 0.226 252 N C 0.762 176.330 175.510 0.097 0.000 1.305 252 N CA 0.289 53.337 53.050 -0.004 0.000 0.890 252 N CB 1.255 39.584 38.487 -0.263 0.000 1.118 252 N HN 0.182 nan 8.380 nan 0.000 0.511 253 G N -0.651 108.300 108.800 0.252 0.000 3.044 253 G HA2 0.572 4.565 3.960 0.056 0.000 0.223 253 G HA3 0.572 4.565 3.960 0.056 0.000 0.223 253 G C 0.103 175.237 174.900 0.390 0.000 1.123 253 G CA 0.089 45.410 45.100 0.368 0.000 0.765 253 G HN 0.291 nan 8.290 nan 0.000 0.546 254 A N 0.065 123.045 122.820 0.267 0.000 2.454 254 A HA 0.635 4.989 4.320 0.056 0.000 0.302 254 A C 1.359 179.038 177.584 0.158 0.000 1.079 254 A CA 0.457 52.635 52.037 0.236 0.000 0.731 254 A CB 1.155 20.300 19.000 0.241 0.000 1.299 254 A HN 0.503 nan 8.150 nan 0.000 0.413 255 S N 0.585 116.376 115.700 0.152 0.000 2.400 255 S HA -0.033 4.471 4.470 0.056 0.000 0.232 255 S C 0.474 175.132 174.600 0.097 0.000 1.025 255 S CA 1.461 59.725 58.200 0.108 0.000 0.993 255 S CB -0.604 62.649 63.200 0.089 0.000 0.808 255 S HN 0.556 nan 8.310 nan 0.000 0.478 256 I N 1.870 122.513 120.570 0.121 0.000 2.499 256 I HA 0.356 4.560 4.170 0.056 0.000 0.288 256 I C 0.146 176.354 176.117 0.151 0.000 1.048 256 I CA -0.559 60.808 61.300 0.112 0.000 1.062 256 I CB 2.349 40.396 38.000 0.080 0.000 1.238 256 I HN 0.207 nan 8.210 nan 0.000 0.426 257 S N 4.347 120.111 115.700 0.107 0.000 2.655 257 S HA 0.183 4.687 4.470 0.056 0.000 0.265 257 S C 1.065 175.690 174.600 0.042 0.000 1.240 257 S CA -0.272 57.957 58.200 0.047 0.000 0.986 257 S CB 1.103 64.381 63.200 0.130 0.000 0.985 257 S HN 0.788 nan 8.310 nan 0.000 0.562 258 Q N 0.208 119.887 119.800 -0.201 0.000 2.084 258 Q HA -0.145 4.229 4.340 0.056 0.000 0.202 258 Q C 1.511 177.401 176.000 -0.184 0.000 0.978 258 Q CA 1.610 57.265 55.803 -0.247 0.000 0.844 258 Q CB -0.775 27.628 28.738 -0.558 0.000 0.898 258 Q HN 0.752 nan 8.270 nan 0.000 0.426 259 F N 1.563 121.513 119.950 -0.000 0.000 2.234 259 F HA -0.048 4.514 4.527 0.058 0.000 0.299 259 F C 2.391 178.222 175.800 0.052 0.000 1.087 259 F CA 1.314 59.321 58.000 0.012 0.000 1.340 259 F CB -0.229 38.746 39.000 -0.042 0.000 1.031 259 F HN 0.156 nan 8.300 nan 0.000 0.500 260 E N 0.178 120.508 120.200 0.216 0.000 2.028 260 E HA -0.170 4.214 4.350 0.056 0.000 0.190 260 E C 2.200 178.858 176.600 0.096 0.000 0.984 260 E CA 0.633 57.117 56.400 0.138 0.000 0.800 260 E CB -0.248 29.520 29.700 0.114 0.000 0.758 260 E HN 0.176 nan 8.360 nan 0.000 0.448 261 L N 0.768 122.040 121.223 0.081 0.000 2.081 261 L HA -0.229 4.144 4.340 0.056 0.000 0.212 261 L C 2.222 179.104 176.870 0.021 0.000 1.080 261 L CA 2.002 56.861 54.840 0.032 0.000 0.754 261 L CB -0.751 41.327 42.059 0.032 0.000 0.893 261 L HN 0.244 nan 8.230 nan 0.000 0.433 262 H N -1.288 117.770 119.070 -0.020 0.000 2.293 262 H HA -0.127 4.461 4.556 0.053 0.000 0.300 262 H C 2.209 177.531 175.328 -0.011 0.000 1.082 262 H CA 2.056 58.090 56.048 -0.023 0.000 1.308 262 H CB -0.107 29.655 29.762 0.000 0.000 1.375 262 H HN 0.274 nan 8.280 nan 0.000 0.495 263 L N -0.086 121.191 121.223 0.089 0.000 2.042 263 L HA -0.218 4.156 4.340 0.056 0.000 0.210 263 L C 2.753 179.612 176.870 -0.017 0.000 1.076 263 L CA 1.498 56.365 54.840 0.045 0.000 0.749 263 L CB -0.417 41.696 42.059 0.089 0.000 0.893 263 L HN 0.317 nan 8.230 nan 0.000 0.432 264 R N -0.218 120.273 120.500 -0.016 0.000 2.094 264 R HA -0.214 4.159 4.340 0.056 0.000 0.239 264 R C 2.426 178.695 176.300 -0.052 0.000 1.137 264 R CA 1.659 57.745 56.100 -0.023 0.000 0.943 264 R CB -0.584 29.700 30.300 -0.026 0.000 0.850 264 R HN 0.396 nan 8.270 nan 0.000 0.433 265 A N 1.776 124.518 122.820 -0.130 0.000 1.865 265 A HA -0.169 4.185 4.320 0.056 0.000 0.217 265 A C 2.206 179.674 177.584 -0.193 0.000 1.191 265 A CA 1.808 53.722 52.037 -0.206 0.000 0.623 265 A CB -0.770 18.025 19.000 -0.342 0.000 0.826 265 A HN 0.521 nan 8.150 nan 0.000 0.444 266 I N -2.062 118.367 120.570 -0.234 0.000 2.830 266 I HA -0.046 4.158 4.170 0.056 0.000 0.263 266 I C 1.629 177.810 176.117 0.107 0.000 1.230 266 I CA 1.805 63.045 61.300 -0.100 0.000 1.480 266 I CB -0.644 37.254 38.000 -0.170 0.000 1.095 266 I HN 0.340 nan 8.210 nan 0.000 0.455 267 T N -2.997 111.591 114.554 0.056 0.000 3.186 267 T HA 0.176 4.560 4.350 0.056 0.000 0.257 267 T C 0.370 175.124 174.700 0.090 0.000 1.029 267 T CA -0.222 61.927 62.100 0.082 0.000 0.916 267 T CB -0.419 68.481 68.868 0.053 0.000 1.041 267 T HN 0.408 nan 8.240 nan 0.000 0.562 268 D N 0.510 120.995 120.400 0.142 0.000 2.746 268 D HA -0.103 4.571 4.640 0.056 0.000 0.236 268 D C -0.543 175.794 176.300 0.061 0.000 1.129 268 D CA 0.329 54.406 54.000 0.129 0.000 0.691 268 D CB -1.216 39.630 40.800 0.077 0.000 1.077 268 D HN 0.359 nan 8.370 nan 0.000 0.432 269 L N -0.043 121.204 121.223 0.039 0.000 2.332 269 L HA 0.528 4.902 4.340 0.056 0.000 0.269 269 L C -1.767 175.106 176.870 0.006 0.000 1.016 269 L CA -1.776 53.075 54.840 0.019 0.000 0.809 269 L CB 0.306 42.373 42.059 0.013 0.000 1.280 269 L HN -0.258 nan 8.230 nan 0.000 0.447 270 P HA 0.088 nan 4.420 nan 0.000 0.265 270 P C -0.622 176.666 177.300 -0.020 0.000 1.193 270 P CA 0.008 63.105 63.100 -0.006 0.000 0.765 270 P CB 0.385 32.084 31.700 -0.002 0.000 0.823 271 L N 5.803 127.005 121.223 -0.034 0.000 2.784 271 L HA 0.374 4.748 4.340 0.056 0.000 0.241 271 L C -2.122 174.709 176.870 -0.066 0.000 1.352 271 L CA -1.781 53.022 54.840 -0.061 0.000 0.911 271 L CB 0.102 42.111 42.059 -0.084 0.000 1.227 271 L HN 0.257 nan 8.230 nan 0.000 0.501 272 P HA 0.141 nan 4.420 nan 0.000 0.274 272 P C -0.926 176.332 177.300 -0.069 0.000 1.256 272 P CA -0.454 62.621 63.100 -0.043 0.000 0.795 272 P CB 0.486 32.174 31.700 -0.020 0.000 1.038 273 Q N 1.480 121.245 119.800 -0.058 0.000 2.307 273 Q HA 0.257 4.631 4.340 0.056 0.000 0.259 273 Q C -2.154 173.811 176.000 -0.058 0.000 0.998 273 Q CA -1.711 54.044 55.803 -0.081 0.000 0.923 273 Q CB -0.276 28.437 28.738 -0.041 0.000 1.196 273 Q HN 0.222 nan 8.270 nan 0.000 0.416 274 P HA -0.024 nan 4.420 nan 0.000 0.268 274 P C -0.989 176.350 177.300 0.064 0.000 1.205 274 P CA -0.123 62.971 63.100 -0.011 0.000 0.771 274 P CB 0.613 32.312 31.700 -0.002 0.000 0.858 275 V N 3.591 123.565 119.914 0.100 0.000 2.498 275 V HA 0.212 4.366 4.120 0.056 0.000 0.279 275 V C 0.453 176.655 176.094 0.180 0.000 1.048 275 V CA -0.298 62.074 62.300 0.120 0.000 0.967 275 V CB 1.431 33.310 31.823 0.093 0.000 0.988 275 V HN 0.248 nan 8.190 nan 0.000 0.473 276 V N 5.001 125.031 119.914 0.193 0.000 2.419 276 V HA 0.389 4.542 4.120 0.056 0.000 0.287 276 V C 0.262 176.457 176.094 0.168 0.000 1.017 276 V CA -0.495 61.947 62.300 0.236 0.000 0.844 276 V CB 1.453 33.481 31.823 0.342 0.000 1.011 276 V HN 0.861 nan 8.190 nan 0.000 0.429 277 N N 2.586 121.371 118.700 0.142 0.000 2.432 277 N HA 0.152 4.926 4.740 0.056 0.000 0.174 277 N C 0.323 175.894 175.510 0.100 0.000 1.037 277 N CA 0.507 53.623 53.050 0.110 0.000 0.892 277 N CB 0.366 38.908 38.487 0.092 0.000 1.049 277 N HN 0.555 nan 8.380 nan 0.000 0.442 278 N N 0.161 118.916 118.700 0.092 0.000 2.380 278 N HA 0.429 5.203 4.740 0.056 0.000 0.290 278 N C -2.803 172.705 175.510 -0.003 0.000 1.236 278 N CA -1.217 51.871 53.050 0.062 0.000 0.780 278 N CB 1.892 40.410 38.487 0.052 0.000 1.438 278 N HN -0.121 nan 8.380 nan 0.000 0.491 279 P HA 0.293 nan 4.420 nan 0.000 0.274 279 P C -0.695 176.471 177.300 -0.223 0.000 1.231 279 P CA -0.063 62.921 63.100 -0.194 0.000 0.790 279 P CB 0.734 32.368 31.700 -0.109 0.000 0.951 280 S N 0.042 115.499 115.700 -0.405 0.000 2.599 280 S HA 0.666 5.170 4.470 0.056 0.000 0.287 280 S C -0.893 173.555 174.600 -0.254 0.000 1.105 280 S CA -0.597 57.431 58.200 -0.286 0.000 0.899 280 S CB 1.538 64.577 63.200 -0.269 0.000 1.100 280 S HN 0.178 nan 8.310 nan 0.000 0.482 281 V N 2.477 122.347 119.914 -0.072 0.000 2.686 281 V HA 0.557 4.711 4.120 0.056 0.000 0.306 281 V C -0.670 175.492 176.094 0.112 0.000 1.065 281 V CA -0.520 61.790 62.300 0.017 0.000 0.894 281 V CB 1.806 33.653 31.823 0.040 0.000 1.004 281 V HN 0.897 nan 8.190 nan 0.000 0.424 282 M N 5.686 125.377 119.600 0.153 0.000 2.321 282 M HA 0.669 5.182 4.480 0.056 0.000 0.315 282 M C -1.917 174.491 176.300 0.179 0.000 1.052 282 M CA -0.567 54.861 55.300 0.213 0.000 0.936 282 M CB 1.670 34.416 32.600 0.244 0.000 1.639 282 M HN 0.629 nan 8.290 nan 0.000 0.433 283 I N 4.428 125.110 120.570 0.186 0.000 2.382 283 I HA 0.282 4.486 4.170 0.056 0.000 0.286 283 I C -0.350 175.876 176.117 0.181 0.000 1.002 283 I CA -0.736 60.654 61.300 0.149 0.000 1.135 283 I CB 1.636 39.690 38.000 0.090 0.000 1.288 283 I HN 0.644 nan 8.210 nan 0.000 0.448 284 N N 6.496 125.287 118.700 0.151 0.000 2.520 284 N HA 0.336 5.110 4.740 0.056 0.000 0.273 284 N C -0.893 174.736 175.510 0.198 0.000 1.155 284 N CA 0.013 53.158 53.050 0.158 0.000 0.967 284 N CB 0.957 39.480 38.487 0.061 0.000 1.092 284 N HN 0.431 nan 8.380 nan 0.000 0.457 285 L N 4.286 125.617 121.223 0.180 0.000 2.264 285 L HA 0.452 4.825 4.340 0.056 0.000 0.287 285 L C -0.319 176.652 176.870 0.169 0.000 1.039 285 L CA -0.540 54.437 54.840 0.229 0.000 0.829 285 L CB 0.429 42.591 42.059 0.172 0.000 1.211 285 L HN 0.352 nan 8.230 nan 0.000 0.427 286 I N 2.564 123.251 120.570 0.196 0.000 2.339 286 I HA 0.358 4.562 4.170 0.056 0.000 0.290 286 I C 1.233 177.437 176.117 0.146 0.000 0.994 286 I CA -0.192 61.167 61.300 0.099 0.000 1.191 286 I CB 1.703 39.702 38.000 -0.001 0.000 1.343 286 I HN 0.716 nan 8.210 nan 0.000 0.458 287 G N 4.061 112.931 108.800 0.115 0.000 2.449 287 G HA2 -0.258 3.736 3.960 0.056 0.000 0.304 287 G HA3 -0.258 3.736 3.960 0.056 0.000 0.304 287 G C 0.127 175.139 174.900 0.186 0.000 0.962 287 G CA 0.621 45.795 45.100 0.124 0.000 0.943 287 G HN 0.574 nan 8.290 nan 0.000 0.514 288 S N -0.614 115.249 115.700 0.271 0.000 2.621 288 S HA 0.598 5.102 4.470 0.056 0.000 0.302 288 S C -0.221 174.580 174.600 0.334 0.000 1.093 288 S CA -0.944 57.436 58.200 0.299 0.000 1.017 288 S CB 1.996 65.410 63.200 0.356 0.000 1.077 288 S HN 0.276 nan 8.310 nan 0.000 0.517 289 D N 1.025 121.544 120.400 0.199 0.000 2.348 289 D HA 0.239 4.912 4.640 0.056 0.000 0.249 289 D C -0.339 175.857 176.300 -0.173 0.000 1.110 289 D CA -0.304 53.739 54.000 0.070 0.000 0.967 289 D CB 1.672 42.441 40.800 -0.052 0.000 1.139 289 D HN 0.290 nan 8.370 nan 0.000 0.466 290 V N 2.246 121.777 119.914 -0.638 0.000 2.508 290 V HA 0.109 4.262 4.120 0.056 0.000 0.281 290 V C -0.315 175.001 176.094 -1.298 0.000 1.041 290 V CA -0.232 61.386 62.300 -1.136 0.000 1.016 290 V CB 0.770 31.549 31.823 -1.742 0.000 0.984 290 V HN 0.412 nan 8.190 nan 0.000 0.478 291 N N 5.854 123.278 118.700 -2.127 0.000 2.706 291 N HA 0.301 5.075 4.740 0.056 0.000 0.240 291 N C -0.084 174.564 175.510 -1.436 0.000 1.039 291 N CA -0.426 51.553 53.050 -1.785 0.000 0.888 291 N CB 0.392 37.774 38.487 -1.840 0.000 1.128 291 N HN 0.672 nan 8.380 nan 0.000 0.512 292 Y N 0.525 120.413 120.300 -0.688 0.000 2.736 292 Y HA -0.090 4.491 4.550 0.051 0.000 0.298 292 Y C 1.220 176.948 175.900 -0.287 0.000 1.156 292 Y CA 0.512 58.378 58.100 -0.390 0.000 1.384 292 Y CB -0.100 38.193 38.460 -0.278 0.000 0.976 292 Y HN 0.517 nan 8.280 nan 0.000 0.556 293 D N -1.849 118.387 120.400 -0.273 0.000 2.277 293 D HA -0.120 4.554 4.640 0.056 0.000 0.208 293 D C 1.610 177.911 176.300 0.003 0.000 0.962 293 D CA 0.599 54.517 54.000 -0.137 0.000 0.865 293 D CB -0.208 40.484 40.800 -0.180 0.000 0.939 293 D HN 0.269 nan 8.370 nan 0.000 0.510 294 W N 0.229 121.492 121.300 -0.062 0.000 2.350 294 W HA -0.055 4.636 4.660 0.052 0.000 0.289 294 W C 1.383 177.871 176.519 -0.052 0.000 1.215 294 W CA 0.147 57.451 57.345 -0.069 0.000 1.236 294 W CB -0.944 28.457 29.460 -0.098 0.000 1.130 294 W HN 0.061 nan 8.180 nan 0.000 0.541 295 L N 0.587 121.919 121.223 0.183 0.000 2.700 295 L HA -0.084 4.290 4.340 0.056 0.000 0.240 295 L C 1.822 178.708 176.870 0.026 0.000 1.162 295 L CA 1.283 56.174 54.840 0.086 0.000 0.874 295 L CB -0.999 41.105 42.059 0.075 0.000 1.001 295 L HN -0.120 nan 8.230 nan 0.000 0.447 296 K N -1.040 119.381 120.400 0.034 0.000 2.379 296 K HA 0.187 4.541 4.320 0.056 0.000 0.194 296 K C 0.142 176.741 176.600 -0.001 0.000 1.031 296 K CA 0.184 56.474 56.287 0.006 0.000 1.037 296 K CB 0.293 32.797 32.500 0.007 0.000 0.824 296 K HN 0.180 nan 8.250 nan 0.000 0.516 297 L N 2.360 123.586 121.223 0.005 0.000 2.259 297 L HA 0.219 4.592 4.340 0.056 0.000 0.288 297 L C -1.761 175.081 176.870 -0.047 0.000 1.051 297 L CA -1.866 52.965 54.840 -0.015 0.000 0.824 297 L CB 0.959 43.016 42.059 -0.003 0.000 1.206 297 L HN -0.121 nan 8.230 nan 0.000 0.429 298 P HA -0.177 nan 4.420 nan 0.000 0.218 298 P C 1.360 178.585 177.300 -0.125 0.000 1.146 298 P CA 1.240 64.296 63.100 -0.074 0.000 0.813 298 P CB 0.278 31.950 31.700 -0.046 0.000 0.778 299 L N -1.531 119.628 121.223 -0.106 0.000 2.610 299 L HA 0.048 4.421 4.340 0.056 0.000 0.232 299 L C 0.696 177.448 176.870 -0.197 0.000 1.149 299 L CA 0.045 54.819 54.840 -0.111 0.000 0.872 299 L CB -0.271 41.760 42.059 -0.047 0.000 0.992 299 L HN -0.194 nan 8.230 nan 0.000 0.447 300 V N 0.625 120.406 119.914 -0.221 0.000 2.461 300 V HA 0.103 4.257 4.120 0.056 0.000 0.275 300 V C 0.009 175.887 176.094 -0.359 0.000 1.047 300 V CA -0.350 61.839 62.300 -0.185 0.000 0.955 300 V CB 0.829 32.610 31.823 -0.072 0.000 0.988 300 V HN 0.171 nan 8.190 nan 0.000 0.471 301 H N 5.221 124.310 119.070 0.031 0.000 2.638 301 H HA 0.327 4.929 4.556 0.078 0.000 0.303 301 H C -0.411 174.855 175.328 -0.103 0.000 1.034 301 H CA -0.745 55.290 56.048 -0.022 0.000 1.225 301 H CB 1.833 31.644 29.762 0.083 0.000 1.394 301 H HN 0.445 nan 8.280 nan 0.000 0.477 302 L N 5.000 126.165 121.223 -0.096 0.000 2.331 302 L HA 0.177 4.551 4.340 0.056 0.000 0.278 302 L C -0.270 176.372 176.870 -0.381 0.000 1.106 302 L CA -0.111 54.669 54.840 -0.100 0.000 0.824 302 L CB 0.262 42.353 42.059 0.054 0.000 1.142 302 L HN 0.548 nan 8.230 nan 0.000 0.443 303 H N 5.845 124.859 119.070 -0.095 0.000 2.953 303 H HA 0.121 4.679 4.556 0.003 0.000 0.290 303 H C -1.429 173.852 175.328 -0.078 0.000 1.113 303 H CA -0.398 55.547 56.048 -0.170 0.000 1.454 303 H CB 0.763 30.136 29.762 -0.648 0.000 1.525 303 H HN 0.716 nan 8.280 nan 0.000 0.505 304 W N 4.401 125.660 121.300 -0.069 0.000 2.391 304 W HA 0.091 4.778 4.660 0.045 0.000 0.311 304 W C -0.708 175.840 176.519 0.048 0.000 1.087 304 W CA -0.677 56.599 57.345 -0.115 0.000 1.209 304 W CB 0.880 30.322 29.460 -0.031 0.000 1.273 304 W HN 0.564 nan 8.180 nan 0.000 0.482 305 Y N 2.613 122.595 120.300 -0.529 0.000 2.529 305 Y HA -0.036 4.541 4.550 0.045 0.000 0.290 305 Y C 1.126 176.796 175.900 -0.383 0.000 1.177 305 Y CA 0.009 57.881 58.100 -0.379 0.000 1.305 305 Y CB -0.823 37.456 38.460 -0.301 0.000 1.047 305 Y HN 0.477 nan 8.280 nan 0.000 0.522 306 D N -0.000 120.103 120.400 -0.494 0.000 2.870 306 D HA -0.191 4.483 4.640 0.056 0.000 0.228 306 D C -0.640 175.618 176.300 -0.070 0.000 1.147 306 D CA 0.774 54.725 54.000 -0.080 0.000 0.757 306 D CB -0.865 39.995 40.800 0.099 0.000 1.091 306 D HN 0.397 nan 8.370 nan 0.000 0.429 307 K N 0.212 120.496 120.400 -0.193 0.000 2.156 307 K HA 0.488 4.842 4.320 0.056 0.000 0.250 307 K C 0.107 176.689 176.600 -0.031 0.000 0.955 307 K CA -0.918 55.321 56.287 -0.080 0.000 0.855 307 K CB 1.308 33.763 32.500 -0.074 0.000 1.101 307 K HN 0.038 nan 8.250 nan 0.000 0.434 308 E N 1.275 121.485 120.200 0.016 0.000 2.480 308 E HA -0.021 4.363 4.350 0.056 0.000 0.258 308 E C -0.684 175.943 176.600 0.046 0.000 0.984 308 E CA -0.166 56.263 56.400 0.048 0.000 0.930 308 E CB 0.551 30.275 29.700 0.040 0.000 0.936 308 E HN 0.210 nan 8.360 nan 0.000 0.466 309 V N 5.516 125.484 119.914 0.091 0.000 2.637 309 V HA 0.238 4.392 4.120 0.056 0.000 0.296 309 V C 0.027 176.165 176.094 0.072 0.000 1.046 309 V CA 0.423 62.783 62.300 0.100 0.000 1.066 309 V CB 0.617 32.550 31.823 0.183 0.000 0.968 309 V HN 0.734 nan 8.190 nan 0.000 0.483 310 R N 4.080 124.617 120.500 0.062 0.000 2.634 310 R HA 0.500 4.874 4.340 0.056 0.000 0.263 310 R C -3.219 173.111 176.300 0.050 0.000 1.060 310 R CA -1.877 54.254 56.100 0.051 0.000 0.898 310 R CB 0.737 31.060 30.300 0.039 0.000 1.253 310 R HN 0.335 nan 8.270 nan 0.000 0.461 311 P HA -0.012 nan 4.420 nan 0.000 0.264 311 P C 0.777 178.095 177.300 0.030 0.000 1.179 311 P CA 1.371 64.496 63.100 0.042 0.000 0.763 311 P CB 0.477 32.199 31.700 0.036 0.000 0.806 312 G N 1.486 110.302 108.800 0.025 0.000 2.216 312 G HA2 -0.340 3.654 3.960 0.056 0.000 0.269 312 G HA3 -0.340 3.654 3.960 0.056 0.000 0.269 312 G C 0.406 175.315 174.900 0.016 0.000 0.981 312 G CA 0.392 45.498 45.100 0.011 0.000 0.658 312 G HN 0.768 nan 8.290 nan 0.000 0.539 313 R N 0.540 121.056 120.500 0.026 0.000 2.297 313 R HA 0.450 4.824 4.340 0.056 0.000 0.308 313 R C 0.129 176.447 176.300 0.029 0.000 1.029 313 R CA -0.693 55.422 56.100 0.024 0.000 0.929 313 R CB 0.356 30.668 30.300 0.020 0.000 1.046 313 R HN 0.174 nan 8.270 nan 0.000 0.461 314 K N 3.661 124.089 120.400 0.047 0.000 2.336 314 K HA 0.037 4.391 4.320 0.056 0.000 0.290 314 K C 0.949 177.580 176.600 0.052 0.000 1.067 314 K CA -0.213 56.126 56.287 0.087 0.000 0.962 314 K CB 0.830 33.432 32.500 0.169 0.000 1.008 314 K HN 0.504 nan 8.250 nan 0.000 0.467 315 V N -0.128 119.683 119.914 -0.172 0.000 3.565 315 V HA 0.355 4.509 4.120 0.056 0.000 0.260 315 V C 0.783 176.087 176.094 -1.317 0.000 1.231 315 V CA 0.446 62.385 62.300 -0.602 0.000 1.100 315 V CB 0.123 31.601 31.823 -0.575 0.000 0.807 315 V HN 0.769 nan 8.190 nan 0.000 0.454 316 G N -0.076 108.078 108.800 -1.076 0.000 2.341 316 G HA2 0.550 4.544 3.960 0.056 0.000 0.299 316 G HA3 0.550 4.544 3.960 0.056 0.000 0.299 316 G C -1.485 173.249 174.900 -0.276 0.000 1.274 316 G CA -0.095 44.265 45.100 -1.233 0.000 0.853 316 G HN 0.999 nan 8.290 nan 0.000 0.493 317 H N -1.627 117.401 119.070 -0.070 0.000 3.042 317 H HA 0.634 5.219 4.556 0.048 0.000 0.346 317 H C -1.977 173.457 175.328 0.176 0.000 1.294 317 H CA -0.955 55.165 56.048 0.120 0.000 1.141 317 H CB 1.206 31.117 29.762 0.248 0.000 1.872 317 H HN 0.581 nan 8.280 nan 0.000 0.541 318 L N 2.136 123.489 121.223 0.218 0.000 2.333 318 L HA 0.355 4.728 4.340 0.056 0.000 0.280 318 L C -0.548 176.501 176.870 0.300 0.000 1.004 318 L CA -0.803 54.122 54.840 0.142 0.000 0.820 318 L CB 1.674 43.703 42.059 -0.050 0.000 1.247 318 L HN 0.472 nan 8.230 nan 0.000 0.416 319 N N 3.616 122.542 118.700 0.377 0.000 2.392 319 N HA 0.627 5.400 4.740 0.056 0.000 0.283 319 N C -1.233 174.486 175.510 0.349 0.000 1.003 319 N CA -0.359 52.936 53.050 0.409 0.000 0.892 319 N CB 2.115 40.901 38.487 0.498 0.000 1.193 319 N HN 0.311 nan 8.380 nan 0.000 0.487 320 L N 1.201 122.561 121.223 0.230 0.000 2.372 320 L HA 0.528 4.901 4.340 0.056 0.000 0.274 320 L C 0.188 177.115 176.870 0.095 0.000 0.988 320 L CA -0.281 54.647 54.840 0.147 0.000 0.833 320 L CB 2.011 44.092 42.059 0.037 0.000 1.236 320 L HN 0.382 nan 8.230 nan 0.000 0.410 321 T N 1.315 115.941 114.554 0.119 0.000 2.933 321 T HA 0.721 5.105 4.350 0.056 0.000 0.305 321 T C -1.919 172.809 174.700 0.048 0.000 1.092 321 T CA -0.326 61.807 62.100 0.056 0.000 1.008 321 T CB 1.569 70.488 68.868 0.085 0.000 1.102 321 T HN 0.686 nan 8.240 nan 0.000 0.469 322 D N 0.130 120.530 120.400 -0.000 0.000 2.710 322 D HA 0.388 5.061 4.640 0.056 0.000 0.276 322 D C 0.860 177.159 176.300 -0.001 0.000 1.267 322 D CA 0.123 54.124 54.000 0.002 0.000 0.772 322 D CB 0.961 41.743 40.800 -0.029 0.000 1.299 322 D HN 0.409 nan 8.370 nan 0.000 0.421 323 S N 0.218 115.925 115.700 0.012 0.000 2.441 323 S HA 0.113 4.617 4.470 0.056 0.000 0.224 323 S C 0.591 175.199 174.600 0.013 0.000 1.043 323 S CA 0.223 58.437 58.200 0.024 0.000 0.948 323 S CB -0.063 63.156 63.200 0.032 0.000 0.810 323 S HN 0.462 nan 8.310 nan 0.000 0.504 324 D N 1.410 121.806 120.400 -0.007 0.000 2.295 324 D HA 0.373 5.047 4.640 0.056 0.000 0.248 324 D C 0.733 176.990 176.300 -0.072 0.000 1.154 324 D CA 0.117 54.106 54.000 -0.017 0.000 0.857 324 D CB 1.461 42.253 40.800 -0.014 0.000 1.117 324 D HN 0.019 nan 8.370 nan 0.000 0.468 325 T N 1.674 116.203 114.554 -0.042 0.000 2.904 325 T HA -0.080 4.304 4.350 0.056 0.000 0.267 325 T C 1.786 176.421 174.700 -0.109 0.000 1.059 325 T CA 1.059 63.107 62.100 -0.087 0.000 1.137 325 T CB 0.138 69.046 68.868 0.067 0.000 0.879 325 T HN 0.327 nan 8.240 nan 0.000 0.467 326 S N 0.660 116.329 115.700 -0.052 0.000 2.357 326 S HA 0.026 4.530 4.470 0.056 0.000 0.221 326 S C 2.116 176.677 174.600 -0.065 0.000 1.031 326 S CA 0.661 58.835 58.200 -0.043 0.000 0.982 326 S CB -0.149 63.041 63.200 -0.018 0.000 0.853 326 S HN 0.353 nan 8.310 nan 0.000 0.458 327 R N 0.369 120.831 120.500 -0.063 0.000 2.096 327 R HA -0.055 4.319 4.340 0.056 0.000 0.235 327 R C 2.175 178.416 176.300 -0.098 0.000 1.127 327 R CA 0.995 57.057 56.100 -0.063 0.000 0.968 327 R CB -0.442 29.830 30.300 -0.046 0.000 0.861 327 R HN 0.259 nan 8.270 nan 0.000 0.440 328 L N 0.551 121.681 121.223 -0.154 0.000 2.027 328 L HA -0.146 4.228 4.340 0.056 0.000 0.206 328 L C 2.349 179.066 176.870 -0.256 0.000 1.074 328 L CA 2.328 57.021 54.840 -0.244 0.000 0.745 328 L CB -0.969 40.845 42.059 -0.407 0.000 0.898 328 L HN 0.301 nan 8.230 nan 0.000 0.433 329 T N -3.542 110.871 114.554 -0.235 0.000 2.904 329 T HA -0.012 4.372 4.350 0.056 0.000 0.267 329 T C 1.885 176.538 174.700 -0.077 0.000 1.059 329 T CA 0.774 62.782 62.100 -0.153 0.000 1.137 329 T CB -0.666 68.150 68.868 -0.087 0.000 0.879 329 T HN 0.275 nan 8.240 nan 0.000 0.467 330 A N 1.708 124.488 122.820 -0.066 0.000 1.969 330 A HA -0.013 4.341 4.320 0.056 0.000 0.218 330 A C 2.544 180.108 177.584 -0.034 0.000 1.169 330 A CA 1.833 53.847 52.037 -0.037 0.000 0.635 330 A CB -1.356 17.626 19.000 -0.030 0.000 0.810 330 A HN 0.529 nan 8.150 nan 0.000 0.445 331 T N 0.488 115.011 114.554 -0.052 0.000 2.821 331 T HA -0.044 4.340 4.350 0.056 0.000 0.267 331 T C 1.784 176.464 174.700 -0.034 0.000 1.046 331 T CA 1.307 63.381 62.100 -0.043 0.000 1.139 331 T CB -0.334 68.500 68.868 -0.057 0.000 0.871 331 T HN 0.388 nan 8.240 nan 0.000 0.454 332 L N 0.606 121.804 121.223 -0.042 0.000 1.994 332 L HA -0.104 4.270 4.340 0.056 0.000 0.208 332 L C 2.802 179.674 176.870 0.004 0.000 1.071 332 L CA 1.454 56.283 54.840 -0.018 0.000 0.745 332 L CB -0.536 41.514 42.059 -0.015 0.000 0.892 332 L HN 0.204 nan 8.230 nan 0.000 0.431 333 E N 0.462 120.664 120.200 0.004 0.000 2.097 333 E HA -0.242 4.142 4.350 0.056 0.000 0.196 333 E C 2.083 178.694 176.600 0.018 0.000 1.000 333 E CA 1.598 58.008 56.400 0.017 0.000 0.804 333 E CB -0.128 29.579 29.700 0.012 0.000 0.740 333 E HN 0.410 nan 8.360 nan 0.000 0.454 334 A N -0.041 122.785 122.820 0.010 0.000 2.067 334 A HA -0.076 4.278 4.320 0.056 0.000 0.219 334 A C 2.176 179.777 177.584 0.027 0.000 1.158 334 A CA 0.874 52.920 52.037 0.016 0.000 0.661 334 A CB -0.477 18.528 19.000 0.009 0.000 0.801 334 A HN 0.339 nan 8.150 nan 0.000 0.452 335 L N -0.985 120.248 121.223 0.017 0.000 2.156 335 L HA -0.133 4.241 4.340 0.056 0.000 0.208 335 L C 2.337 179.222 176.870 0.025 0.000 1.095 335 L CA 0.753 55.599 54.840 0.011 0.000 0.770 335 L CB -0.386 41.649 42.059 -0.041 0.000 0.914 335 L HN 0.362 nan 8.230 nan 0.000 0.439 336 I N 0.425 121.016 120.570 0.035 0.000 2.087 336 I HA -0.282 3.922 4.170 0.056 0.000 0.240 336 I C -0.554 175.597 176.117 0.057 0.000 1.054 336 I CA 1.962 63.293 61.300 0.052 0.000 1.311 336 I CB -1.205 36.830 38.000 0.058 0.000 1.024 336 I HN 0.211 nan 8.210 nan 0.000 0.402 337 P HA -0.099 nan 4.420 nan 0.000 0.231 337 P C 1.338 178.677 177.300 0.064 0.000 1.158 337 P CA 1.364 64.494 63.100 0.050 0.000 0.763 337 P CB -0.069 31.653 31.700 0.038 0.000 0.805 338 L N -2.377 118.905 121.223 0.098 0.000 2.640 338 L HA 0.218 4.592 4.340 0.056 0.000 0.230 338 L C 0.873 177.906 176.870 0.272 0.000 1.123 338 L CA 0.028 54.977 54.840 0.180 0.000 0.900 338 L CB 0.081 42.334 42.059 0.323 0.000 1.146 338 L HN -0.066 nan 8.230 nan 0.000 0.484 339 L N -0.253 121.035 121.223 0.108 0.000 2.333 339 L HA 0.505 4.879 4.340 0.056 0.000 0.269 339 L C -2.241 174.649 176.870 0.035 0.000 1.010 339 L CA -2.036 52.785 54.840 -0.032 0.000 0.818 339 L CB 1.681 43.576 42.059 -0.273 0.000 1.306 339 L HN -0.271 nan 8.230 nan 0.000 0.430 340 P HA 0.063 nan 4.420 nan 0.000 0.268 340 P C -2.115 175.348 177.300 0.272 0.000 1.208 340 P CA -1.039 62.176 63.100 0.193 0.000 0.777 340 P CB -0.026 31.842 31.700 0.280 0.000 0.875 341 P HA -0.199 nan 4.420 nan 0.000 0.218 341 P C 0.963 178.350 177.300 0.145 0.000 1.146 341 P CA 1.529 64.716 63.100 0.144 0.000 0.813 341 P CB -0.233 31.523 31.700 0.094 0.000 0.778 342 E N -1.655 118.635 120.200 0.148 0.000 2.265 342 E HA -0.197 4.187 4.350 0.056 0.000 0.196 342 E C 1.399 177.982 176.600 -0.029 0.000 0.996 342 E CA 0.982 57.402 56.400 0.034 0.000 0.832 342 E CB -1.095 28.585 29.700 -0.035 0.000 0.756 342 E HN 0.328 nan 8.360 nan 0.000 0.491 343 Y N 1.121 121.440 120.300 0.033 0.000 2.395 343 Y HA 0.067 4.651 4.550 0.055 0.000 0.293 343 Y C 2.618 178.540 175.900 0.037 0.000 1.123 343 Y CA 0.590 58.706 58.100 0.026 0.000 1.227 343 Y CB -0.418 38.055 38.460 0.020 0.000 1.012 343 Y HN 0.123 nan 8.280 nan 0.000 0.552 344 A N 0.192 123.129 122.820 0.195 0.000 1.940 344 A HA -0.307 4.047 4.320 0.056 0.000 0.221 344 A C 2.379 180.034 177.584 0.118 0.000 1.190 344 A CA 2.566 54.684 52.037 0.136 0.000 0.647 344 A CB -1.132 17.932 19.000 0.107 0.000 0.821 344 A HN 0.504 nan 8.150 nan 0.000 0.457 345 S N -0.196 115.558 115.700 0.091 0.000 2.348 345 S HA -0.049 4.455 4.470 0.056 0.000 0.221 345 S C 2.121 176.802 174.600 0.136 0.000 1.033 345 S CA 1.188 59.442 58.200 0.090 0.000 1.010 345 S CB -1.370 61.856 63.200 0.044 0.000 0.891 345 S HN 0.789 nan 8.310 nan 0.000 0.442 346 G N 1.792 110.651 108.800 0.097 0.000 2.446 346 G HA2 -0.162 3.832 3.960 0.056 0.000 0.217 346 G HA3 -0.162 3.832 3.960 0.056 0.000 0.217 346 G C 1.479 176.550 174.900 0.284 0.000 1.168 346 G CA 1.042 46.225 45.100 0.138 0.000 0.771 346 G HN 0.416 nan 8.290 nan 0.000 0.551 347 V N 1.205 121.245 119.914 0.211 0.000 2.282 347 V HA -0.223 3.931 4.120 0.056 0.000 0.249 347 V C 2.808 179.018 176.094 0.193 0.000 1.057 347 V CA 1.822 64.236 62.300 0.189 0.000 1.032 347 V CB -0.397 31.510 31.823 0.141 0.000 0.645 347 V HN 0.413 nan 8.190 nan 0.000 0.447 348 I N -1.447 119.233 120.570 0.185 0.000 2.179 348 I HA -0.275 3.929 4.170 0.056 0.000 0.242 348 I C 2.327 178.559 176.117 0.192 0.000 1.088 348 I CA 2.173 63.568 61.300 0.159 0.000 1.357 348 I CB -0.405 37.677 38.000 0.136 0.000 1.051 348 I HN 0.554 nan 8.210 nan 0.000 0.409 349 W N 2.075 123.409 121.300 0.057 0.000 2.317 349 W HA -0.331 4.361 4.660 0.053 0.000 0.318 349 W C 2.598 179.158 176.519 0.067 0.000 1.227 349 W CA 2.380 59.758 57.345 0.054 0.000 1.269 349 W CB -0.362 29.128 29.460 0.050 0.000 1.155 349 W HN 0.112 nan 8.180 nan 0.000 0.484 350 A N -0.003 122.978 122.820 0.268 0.000 1.908 350 A HA -0.299 4.055 4.320 0.056 0.000 0.218 350 A C 1.957 179.571 177.584 0.050 0.000 1.181 350 A CA 2.089 54.145 52.037 0.032 0.000 0.627 350 A CB -1.177 17.989 19.000 0.276 0.000 0.818 350 A HN 0.576 nan 8.150 nan 0.000 0.445 351 Q N 0.064 119.938 119.800 0.122 0.000 2.096 351 Q HA -0.197 4.177 4.340 0.056 0.000 0.204 351 Q C 2.346 178.416 176.000 0.116 0.000 0.982 351 Q CA 2.279 58.174 55.803 0.152 0.000 0.850 351 Q CB -0.235 28.562 28.738 0.098 0.000 0.901 351 Q HN 0.864 nan 8.270 nan 0.000 0.422 352 S N -0.101 115.589 115.700 -0.016 0.000 2.419 352 S HA -0.159 4.345 4.470 0.056 0.000 0.235 352 S C 1.627 176.120 174.600 -0.179 0.000 1.019 352 S CA 0.892 59.038 58.200 -0.090 0.000 0.982 352 S CB -0.138 62.984 63.200 -0.130 0.000 0.789 352 S HN 0.194 nan 8.310 nan 0.000 0.490 353 K N 0.832 121.053 120.400 -0.298 0.000 2.148 353 K HA 0.085 4.439 4.320 0.056 0.000 0.204 353 K C 1.432 177.758 176.600 -0.457 0.000 1.050 353 K CA 0.934 56.947 56.287 -0.457 0.000 0.942 353 K CB -0.712 31.418 32.500 -0.616 0.000 0.724 353 K HN 0.589 nan 8.250 nan 0.000 0.446 354 F N 1.045 121.001 119.950 0.009 0.000 2.748 354 F HA 0.084 4.645 4.527 0.056 0.000 0.299 354 F C 1.763 177.559 175.800 -0.007 0.000 1.154 354 F CA 0.054 58.081 58.000 0.046 0.000 1.446 354 F CB -0.664 38.354 39.000 0.030 0.000 1.112 354 F HN -0.050 nan 8.300 nan 0.000 0.584 355 G N 0.000 108.830 108.800 0.051 0.000 5.446 355 G HA2 0.000 3.994 3.960 0.056 0.000 0.244 355 G HA3 0.000 3.994 3.960 0.056 0.000 0.244 355 G CA 0.000 45.109 45.100 0.014 0.000 0.502 355 G HN 0.000 nan 8.290 nan 0.000 0.925