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 3a1l_1_A DATA FIRST_RESID 4 DATA SEQUENCE ATLPRFDLMG WDKKDIADPY PVYRRYREAA PVHRTASGPG KPDTYYVFTY DATA SEQUENCE DDVVRVLSNR RLGRNARVAS GDTDTAPVPI PTEHRALRTV VENWLVFLDP DATA SEQUENCE PHHTELRSLL TTEFSPSIVT GLRPRIAELA SALLDRLRAQ RRPDLVEGFA DATA SEQUENCE APLPILVISA LLGIPEEDHT WLRANAVALQ EASTTRARDG RGYARAEAAS DATA SEQUENCE QEFTRYFRRE VDRRGGDDRD DLLTLLVRAR DTGSPLSVDG IVGTCVHLLT DATA SEQUENCE AGHETTTNFL AKAVLTLRAH RDVLDELRTT PESTPAAVEE LMRYDPPVQA DATA SEQUENCE VTRWAYEDIR LGDHDIPRGS RVVALLGSAN RDPARFPDPD VLDVHRAAER DATA SEQUENCE QVGFGLGIHY CLGATLARAE AEIGLRALLD GIPALGRGAH EVEYADDMVF DATA SEQUENCE HGPTRLLLDL P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.576 177.584 -0.013 0.000 1.274 4 A CA 0.000 52.041 52.037 0.007 0.000 0.836 4 A CB 0.000 19.015 19.000 0.024 0.000 0.831 5 T N -0.282 114.253 114.554 -0.031 0.000 3.098 5 T HA 0.373 4.757 4.350 0.057 0.000 0.246 5 T C 0.110 174.760 174.700 -0.084 0.000 0.983 5 T CA 0.375 62.443 62.100 -0.054 0.000 1.094 5 T CB -0.015 68.814 68.868 -0.064 0.000 1.035 5 T HN 0.318 nan 8.240 nan 0.000 0.456 6 L N 3.041 124.187 121.223 -0.129 0.000 2.344 6 L HA 0.525 4.899 4.340 0.057 0.000 0.272 6 L C -1.896 174.912 176.870 -0.104 0.000 1.035 6 L CA -2.062 52.653 54.840 -0.208 0.000 0.807 6 L CB 0.613 42.368 42.059 -0.508 0.000 1.237 6 L HN 0.150 nan 8.230 nan 0.000 0.442 7 P HA 0.207 nan 4.420 nan 0.000 0.276 7 P C -0.383 177.030 177.300 0.188 0.000 1.261 7 P CA -0.867 62.272 63.100 0.065 0.000 0.800 7 P CB 0.792 32.522 31.700 0.050 0.000 1.066 8 R N 0.559 121.151 120.500 0.153 0.000 2.500 8 R HA -0.027 4.348 4.340 0.057 0.000 0.281 8 R C -0.751 175.670 176.300 0.201 0.000 0.953 8 R CA 0.165 56.370 56.100 0.175 0.000 1.108 8 R CB -0.426 29.935 30.300 0.102 0.000 0.901 8 R HN 0.414 nan 8.270 nan 0.000 0.410 9 F N 5.241 125.219 119.950 0.048 0.000 2.450 9 F HA 0.375 4.935 4.527 0.056 0.000 0.332 9 F C -0.445 175.143 175.800 -0.353 0.000 1.093 9 F CA -0.217 57.671 58.000 -0.186 0.000 1.003 9 F CB 1.084 39.848 39.000 -0.393 0.000 1.151 9 F HN 0.814 nan 8.300 nan 0.000 0.474 10 D N 4.155 123.846 120.400 -1.182 0.000 2.738 10 D HA 0.139 4.813 4.640 0.057 0.000 0.308 10 D C -1.516 174.279 176.300 -0.841 0.000 1.311 10 D CA -0.482 53.000 54.000 -0.863 0.000 0.799 10 D CB 0.915 41.564 40.800 -0.252 0.000 1.332 10 D HN 0.378 nan 8.370 nan 0.000 0.441 11 L N -0.403 120.517 121.223 -0.504 0.000 2.910 11 L HA 0.446 4.820 4.340 0.057 0.000 0.252 11 L C 0.111 176.642 176.870 -0.565 0.000 1.195 11 L CA -0.139 54.294 54.840 -0.677 0.000 1.003 11 L CB -0.896 40.878 42.059 -0.474 0.000 1.328 11 L HN 0.443 nan 8.230 nan 0.000 0.540 12 M N -0.903 118.530 119.600 -0.279 0.000 2.268 12 M HA 0.557 5.071 4.480 0.057 0.000 0.344 12 M C 0.907 177.205 176.300 -0.003 0.000 1.106 12 M CA 0.065 55.280 55.300 -0.141 0.000 1.010 12 M CB 1.603 34.162 32.600 -0.069 0.000 1.649 12 M HN 0.230 nan 8.290 nan 0.000 0.443 13 G N 2.356 111.164 108.800 0.013 0.000 2.212 13 G HA2 -0.197 3.797 3.960 0.057 0.000 0.255 13 G HA3 -0.197 3.797 3.960 0.057 0.000 0.255 13 G C -1.009 174.032 174.900 0.235 0.000 1.062 13 G CA -0.541 44.614 45.100 0.093 0.000 0.815 13 G HN 0.639 nan 8.290 nan 0.000 0.497 14 W N 0.685 121.931 121.300 -0.090 0.000 2.237 14 W HA 0.525 5.219 4.660 0.056 0.000 0.335 14 W C 0.734 177.211 176.519 -0.070 0.000 1.230 14 W CA -0.704 56.581 57.345 -0.100 0.000 1.253 14 W CB 0.583 29.972 29.460 -0.119 0.000 1.129 14 W HN 0.445 nan 8.180 nan 0.000 0.590 15 D N 1.326 121.784 120.400 0.097 0.000 2.341 15 D HA 0.044 4.718 4.640 0.057 0.000 0.245 15 D C 1.118 177.445 176.300 0.044 0.000 1.106 15 D CA -0.077 53.939 54.000 0.026 0.000 0.905 15 D CB 1.127 41.894 40.800 -0.055 0.000 1.202 15 D HN 0.117 nan 8.370 nan 0.000 0.426 16 K N 1.251 121.671 120.400 0.032 0.000 2.077 16 K HA -0.203 4.151 4.320 0.057 0.000 0.213 16 K C 1.645 178.227 176.600 -0.029 0.000 1.051 16 K CA 1.439 57.742 56.287 0.026 0.000 0.929 16 K CB -0.125 32.390 32.500 0.024 0.000 0.715 16 K HN 0.370 nan 8.250 nan 0.000 0.451 17 K N 0.463 120.833 120.400 -0.050 0.000 2.288 17 K HA -0.098 4.257 4.320 0.057 0.000 0.201 17 K C 0.701 177.230 176.600 -0.118 0.000 1.048 17 K CA 1.269 57.505 56.287 -0.086 0.000 0.956 17 K CB 0.035 32.494 32.500 -0.069 0.000 0.746 17 K HN 0.134 nan 8.250 nan 0.000 0.461 18 D N 0.031 120.363 120.400 -0.112 0.000 2.346 18 D HA 0.091 4.765 4.640 0.057 0.000 0.206 18 D C 1.822 178.129 176.300 0.011 0.000 1.001 18 D CA 0.193 54.094 54.000 -0.165 0.000 0.871 18 D CB 0.276 40.837 40.800 -0.399 0.000 0.943 18 D HN 0.192 nan 8.370 nan 0.000 0.518 19 I N 0.851 121.486 120.570 0.107 0.000 2.233 19 I HA -0.168 4.036 4.170 0.057 0.000 0.243 19 I C 2.305 178.431 176.117 0.016 0.000 1.093 19 I CA 0.806 62.231 61.300 0.207 0.000 1.380 19 I CB -0.110 38.004 38.000 0.190 0.000 1.067 19 I HN -0.094 nan 8.210 nan 0.000 0.413 20 A N -0.464 122.110 122.820 -0.411 0.000 2.121 20 A HA -0.189 4.165 4.320 0.057 0.000 0.218 20 A C 0.746 178.131 177.584 -0.333 0.000 1.154 20 A CA 1.640 53.099 52.037 -0.963 0.000 0.679 20 A CB -0.280 18.181 19.000 -0.899 0.000 0.795 20 A HN 0.486 nan 8.150 nan 0.000 0.458 21 D N -2.333 117.955 120.400 -0.188 0.000 2.934 21 D HA 0.157 4.831 4.640 0.057 0.000 0.249 21 D C -2.153 174.010 176.300 -0.229 0.000 1.293 21 D CA -0.798 53.127 54.000 -0.125 0.000 0.812 21 D CB 0.983 41.767 40.800 -0.027 0.000 1.439 21 D HN 0.059 nan 8.370 nan 0.000 0.555 22 P HA -0.078 nan 4.420 nan 0.000 0.236 22 P C 0.916 177.812 177.300 -0.674 0.000 1.177 22 P CA 0.258 63.046 63.100 -0.520 0.000 0.773 22 P CB 0.073 31.482 31.700 -0.485 0.000 0.878 23 Y N 1.038 121.265 120.300 -0.123 0.000 2.241 23 Y HA -0.090 4.493 4.550 0.056 0.000 0.286 23 Y C -0.265 175.645 175.900 0.017 0.000 1.166 23 Y CA 1.341 59.461 58.100 0.032 0.000 1.203 23 Y CB -2.622 35.870 38.460 0.053 0.000 0.977 23 Y HN 0.219 nan 8.280 nan 0.000 0.529 24 P HA -0.105 nan 4.420 nan 0.000 0.221 24 P C 1.758 179.076 177.300 0.029 0.000 1.150 24 P CA 1.208 64.337 63.100 0.047 0.000 0.800 24 P CB 0.107 31.806 31.700 -0.002 0.000 0.787 25 V N -1.280 118.587 119.914 -0.079 0.000 2.270 25 V HA -0.263 3.891 4.120 0.057 0.000 0.245 25 V C 2.087 178.329 176.094 0.246 0.000 1.043 25 V CA 1.814 64.114 62.300 0.001 0.000 1.014 25 V CB -1.572 30.098 31.823 -0.255 0.000 0.645 25 V HN 0.028 nan 8.190 nan 0.000 0.447 26 Y N 0.671 121.160 120.300 0.315 0.000 2.207 26 Y HA -0.223 4.360 4.550 0.056 0.000 0.287 26 Y C 2.647 178.713 175.900 0.277 0.000 1.156 26 Y CA 1.706 60.045 58.100 0.398 0.000 1.182 26 Y CB -0.850 37.840 38.460 0.384 0.000 0.979 26 Y HN 0.174 nan 8.280 nan 0.000 0.521 27 R N 0.567 121.273 120.500 0.343 0.000 2.073 27 R HA -0.131 4.243 4.340 0.057 0.000 0.234 27 R C 2.345 178.715 176.300 0.117 0.000 1.134 27 R CA 1.478 57.706 56.100 0.213 0.000 0.952 27 R CB -0.090 30.306 30.300 0.160 0.000 0.850 27 R HN 0.231 nan 8.270 nan 0.000 0.433 28 R N -0.793 119.761 120.500 0.089 0.000 2.082 28 R HA -0.178 4.196 4.340 0.057 0.000 0.234 28 R C 2.352 178.580 176.300 -0.119 0.000 1.136 28 R CA 2.100 58.180 56.100 -0.033 0.000 0.935 28 R CB -0.854 29.390 30.300 -0.093 0.000 0.842 28 R HN 0.277 nan 8.270 nan 0.000 0.430 29 Y N 0.754 120.911 120.300 -0.239 0.000 2.114 29 Y HA -0.269 4.316 4.550 0.057 0.000 0.282 29 Y C 2.682 178.332 175.900 -0.416 0.000 1.165 29 Y CA 1.702 59.490 58.100 -0.521 0.000 1.148 29 Y CB -0.443 37.310 38.460 -1.177 0.000 0.972 29 Y HN 0.075 nan 8.280 nan 0.000 0.504 30 R N 0.741 121.093 120.500 -0.247 0.000 2.105 30 R HA -0.204 4.170 4.340 0.057 0.000 0.239 30 R C 1.831 178.133 176.300 0.003 0.000 1.135 30 R CA 1.960 58.016 56.100 -0.073 0.000 0.967 30 R CB -0.206 30.181 30.300 0.146 0.000 0.861 30 R HN 0.467 nan 8.270 nan 0.000 0.442 31 E N -0.556 119.646 120.200 0.003 0.000 2.208 31 E HA -0.125 4.259 4.350 0.057 0.000 0.193 31 E C 1.763 178.357 176.600 -0.011 0.000 0.988 31 E CA 0.903 57.306 56.400 0.005 0.000 0.828 31 E CB 0.071 29.772 29.700 0.002 0.000 0.763 31 E HN 0.470 nan 8.360 nan 0.000 0.478 32 A N 1.160 123.967 122.820 -0.022 0.000 1.861 32 A HA 0.371 4.725 4.320 0.057 0.000 0.212 32 A C 1.104 178.676 177.584 -0.019 0.000 1.199 32 A CA 1.023 53.052 52.037 -0.015 0.000 0.613 32 A CB 0.253 19.247 19.000 -0.011 0.000 0.846 32 A HN 0.203 nan 8.150 nan 0.000 0.446 33 A N -1.689 121.107 122.820 -0.040 0.000 2.574 33 A HA 0.634 4.989 4.320 0.057 0.000 0.297 33 A C -2.484 175.033 177.584 -0.113 0.000 1.062 33 A CA -0.880 51.073 52.037 -0.140 0.000 0.686 33 A CB 0.812 19.592 19.000 -0.366 0.000 1.285 33 A HN -0.003 nan 8.150 nan 0.000 0.403 34 P HA 0.080 nan 4.420 nan 0.000 0.227 34 P C 0.126 177.537 177.300 0.185 0.000 1.161 34 P CA 0.809 63.980 63.100 0.117 0.000 0.788 34 P CB 0.290 32.060 31.700 0.116 0.000 0.822 35 V N 0.501 120.433 119.914 0.030 0.000 2.789 35 V HA 0.381 4.535 4.120 0.057 0.000 0.311 35 V C -0.598 175.369 176.094 -0.212 0.000 1.073 35 V CA -0.686 61.596 62.300 -0.030 0.000 0.921 35 V CB 2.429 34.035 31.823 -0.362 0.000 1.009 35 V HN 0.112 nan 8.190 nan 0.000 0.426 36 H N 3.338 122.516 119.070 0.179 0.000 2.924 36 H HA 0.393 4.983 4.556 0.057 0.000 0.333 36 H C -0.375 175.034 175.328 0.135 0.000 0.979 36 H CA -0.572 55.593 56.048 0.195 0.000 1.326 36 H CB 2.068 32.000 29.762 0.283 0.000 1.600 36 H HN 0.617 nan 8.280 nan 0.000 0.520 37 R N 2.174 122.696 120.500 0.036 0.000 2.390 37 R HA 0.292 4.666 4.340 0.057 0.000 0.291 37 R C -0.859 175.419 176.300 -0.036 0.000 1.070 37 R CA -0.047 55.852 56.100 -0.335 0.000 1.014 37 R CB 0.633 30.678 30.300 -0.425 0.000 1.007 37 R HN 0.457 nan 8.270 nan 0.000 0.466 38 T N 3.755 118.271 114.554 -0.063 0.000 3.038 38 T HA 0.355 4.739 4.350 0.057 0.000 0.344 38 T C -0.252 174.458 174.700 0.016 0.000 1.054 38 T CA -0.431 61.725 62.100 0.094 0.000 1.092 38 T CB 1.248 70.302 68.868 0.308 0.000 1.031 38 T HN 0.819 nan 8.240 nan 0.000 0.482 39 A N 1.932 124.756 122.820 0.007 0.000 2.433 39 A HA 0.520 4.874 4.320 0.057 0.000 0.250 39 A C 1.197 178.802 177.584 0.036 0.000 1.113 39 A CA -0.068 51.978 52.037 0.014 0.000 0.794 39 A CB 0.138 19.155 19.000 0.029 0.000 1.067 39 A HN 0.675 nan 8.150 nan 0.000 0.510 40 S N -1.876 113.848 115.700 0.040 0.000 2.820 40 S HA 0.486 4.990 4.470 0.057 0.000 0.265 40 S C 0.427 175.054 174.600 0.045 0.000 1.043 40 S CA 0.950 59.178 58.200 0.046 0.000 1.245 40 S CB 0.070 63.301 63.200 0.051 0.000 1.187 40 S HN 2.226 nan 8.310 nan 0.000 0.673 41 G N 2.167 110.993 108.800 0.043 0.000 2.225 41 G HA2 0.048 4.042 3.960 0.057 0.000 0.203 41 G HA3 0.048 4.042 3.960 0.057 0.000 0.203 41 G C -3.022 171.902 174.900 0.039 0.000 1.335 41 G CA -0.887 44.237 45.100 0.040 0.000 1.183 41 G HN 0.128 nan 8.290 nan 0.000 0.488 42 P HA 0.493 nan 4.420 nan 0.000 0.266 42 P C 0.448 177.769 177.300 0.034 0.000 1.586 42 P CA 1.357 64.476 63.100 0.032 0.000 1.088 42 P CB 0.561 32.277 31.700 0.026 0.000 1.584 43 G N 1.364 110.188 108.800 0.039 0.000 2.212 43 G HA2 -0.244 3.750 3.960 0.057 0.000 0.255 43 G HA3 -0.244 3.750 3.960 0.057 0.000 0.255 43 G C 0.028 174.958 174.900 0.050 0.000 1.062 43 G CA -0.030 45.095 45.100 0.041 0.000 0.815 43 G HN 0.605 nan 8.290 nan 0.000 0.497 44 K N -0.651 119.785 120.400 0.060 0.000 2.433 44 K HA 0.760 5.115 4.320 0.057 0.000 0.252 44 K C -2.798 173.856 176.600 0.090 0.000 1.015 44 K CA -2.031 54.301 56.287 0.075 0.000 0.860 44 K CB 2.174 34.715 32.500 0.069 0.000 1.359 44 K HN -0.014 nan 8.250 nan 0.000 0.452 45 P HA 0.214 nan 4.420 nan 0.000 0.294 45 P C -1.618 175.728 177.300 0.077 0.000 1.294 45 P CA -0.540 62.634 63.100 0.123 0.000 0.827 45 P CB 0.893 32.708 31.700 0.190 0.000 0.992 46 D N 0.809 121.248 120.400 0.066 0.000 2.344 46 D HA 0.238 4.912 4.640 0.057 0.000 0.244 46 D C -0.362 175.898 176.300 -0.066 0.000 1.134 46 D CA -0.108 53.886 54.000 -0.011 0.000 0.930 46 D CB -0.040 40.748 40.800 -0.021 0.000 1.175 46 D HN 0.085 nan 8.370 nan 0.000 0.437 47 T N 0.462 114.911 114.554 -0.175 0.000 2.829 47 T HA 0.344 4.728 4.350 0.057 0.000 0.280 47 T C -0.887 173.570 174.700 -0.405 0.000 0.999 47 T CA -0.472 61.460 62.100 -0.279 0.000 0.983 47 T CB 0.399 69.055 68.868 -0.353 0.000 0.968 47 T HN 0.178 nan 8.240 nan 0.000 0.446 48 Y N 1.716 121.806 120.300 -0.350 0.000 2.331 48 Y HA 0.460 5.044 4.550 0.057 0.000 0.338 48 Y C -0.448 175.233 175.900 -0.366 0.000 0.976 48 Y CA -1.148 56.815 58.100 -0.229 0.000 1.137 48 Y CB 0.774 39.126 38.460 -0.180 0.000 1.172 48 Y HN 0.582 nan 8.280 nan 0.000 0.478 49 Y N 2.106 122.462 120.300 0.093 0.000 2.326 49 Y HA 0.500 5.084 4.550 0.056 0.000 0.337 49 Y C -0.191 175.680 175.900 -0.047 0.000 1.023 49 Y CA -0.962 57.117 58.100 -0.035 0.000 1.143 49 Y CB 1.048 39.503 38.460 -0.009 0.000 1.183 49 Y HN 0.238 nan 8.280 nan 0.000 0.485 50 V N 5.073 124.926 119.914 -0.101 0.000 2.394 50 V HA 0.169 4.323 4.120 0.057 0.000 0.282 50 V C -0.252 175.723 176.094 -0.199 0.000 1.031 50 V CA -0.299 61.980 62.300 -0.036 0.000 0.881 50 V CB 0.865 32.651 31.823 -0.062 0.000 0.982 50 V HN 0.744 nan 8.190 nan 0.000 0.451 51 F N 1.090 121.052 119.950 0.019 0.000 2.712 51 F HA 0.125 4.686 4.527 0.057 0.000 0.297 51 F C 1.602 177.432 175.800 0.049 0.000 1.114 51 F CA 0.050 58.060 58.000 0.017 0.000 1.305 51 F CB 0.137 39.172 39.000 0.060 0.000 1.086 51 F HN 0.555 nan 8.300 nan 0.000 0.599 52 T N -3.299 111.394 114.554 0.232 0.000 2.918 52 T HA 0.128 4.513 4.350 0.057 0.000 0.283 52 T C 0.797 175.598 174.700 0.169 0.000 1.001 52 T CA -0.411 61.806 62.100 0.195 0.000 1.041 52 T CB 1.092 70.057 68.868 0.162 0.000 1.028 52 T HN 0.203 nan 8.240 nan 0.000 0.511 53 Y N 1.154 121.495 120.300 0.069 0.000 2.163 53 Y HA -0.106 4.477 4.550 0.056 0.000 0.288 53 Y C 1.992 177.908 175.900 0.027 0.000 1.136 53 Y CA 1.999 60.132 58.100 0.054 0.000 1.147 53 Y CB -0.363 38.117 38.460 0.034 0.000 0.987 53 Y HN 0.709 nan 8.280 nan 0.000 0.509 54 D N 0.144 120.641 120.400 0.162 0.000 2.097 54 D HA -0.186 4.489 4.640 0.057 0.000 0.195 54 D C 1.694 177.980 176.300 -0.023 0.000 0.989 54 D CA 1.725 55.760 54.000 0.058 0.000 0.827 54 D CB -0.396 40.456 40.800 0.088 0.000 0.966 54 D HN 0.445 nan 8.370 nan 0.000 0.456 55 D N 0.016 120.419 120.400 0.005 0.000 2.178 55 D HA -0.071 4.603 4.640 0.057 0.000 0.202 55 D C 2.252 178.516 176.300 -0.060 0.000 0.974 55 D CA 0.244 54.236 54.000 -0.014 0.000 0.841 55 D CB -0.077 40.736 40.800 0.022 0.000 0.953 55 D HN 0.066 nan 8.370 nan 0.000 0.478 56 V N 0.672 120.534 119.914 -0.086 0.000 2.427 56 V HA -0.178 3.977 4.120 0.057 0.000 0.248 56 V C 2.617 178.616 176.094 -0.158 0.000 1.051 56 V CA 0.880 63.106 62.300 -0.124 0.000 1.048 56 V CB -0.221 31.522 31.823 -0.134 0.000 0.666 56 V HN 0.052 nan 8.190 nan 0.000 0.456 57 V N -0.111 119.665 119.914 -0.230 0.000 2.343 57 V HA -0.254 3.900 4.120 0.057 0.000 0.247 57 V C 2.580 178.607 176.094 -0.113 0.000 1.051 57 V CA 2.043 64.217 62.300 -0.211 0.000 1.036 57 V CB -0.727 30.931 31.823 -0.274 0.000 0.654 57 V HN 0.491 nan 8.190 nan 0.000 0.451 58 R N -0.592 119.854 120.500 -0.090 0.000 2.081 58 R HA -0.120 4.254 4.340 0.057 0.000 0.235 58 R C 2.249 178.511 176.300 -0.064 0.000 1.131 58 R CA 1.399 57.462 56.100 -0.061 0.000 0.960 58 R CB -0.622 29.650 30.300 -0.046 0.000 0.856 58 R HN 0.378 nan 8.270 nan 0.000 0.436 59 V N 1.114 120.983 119.914 -0.075 0.000 2.407 59 V HA -0.191 3.963 4.120 0.057 0.000 0.248 59 V C 1.647 177.698 176.094 -0.071 0.000 1.055 59 V CA 1.506 63.757 62.300 -0.082 0.000 1.049 59 V CB -0.214 31.552 31.823 -0.095 0.000 0.662 59 V HN 0.195 nan 8.190 nan 0.000 0.455 60 L N -0.964 120.223 121.223 -0.061 0.000 2.592 60 L HA 0.177 4.551 4.340 0.057 0.000 0.227 60 L C 2.134 178.993 176.870 -0.017 0.000 1.127 60 L CA 1.189 56.011 54.840 -0.030 0.000 0.884 60 L CB -0.240 41.809 42.059 -0.016 0.000 1.065 60 L HN 0.228 nan 8.230 nan 0.000 0.457 61 S N -1.179 114.500 115.700 -0.034 0.000 2.506 61 S HA 0.099 4.603 4.470 0.057 0.000 0.230 61 S C 1.061 175.643 174.600 -0.029 0.000 1.066 61 S CA -0.222 57.961 58.200 -0.029 0.000 0.940 61 S CB -0.043 63.136 63.200 -0.035 0.000 0.818 61 S HN 0.407 nan 8.310 nan 0.000 0.518 62 N N 2.872 121.549 118.700 -0.039 0.000 2.365 62 N HA -0.060 4.714 4.740 0.057 0.000 0.265 62 N C 1.038 176.522 175.510 -0.042 0.000 1.288 62 N CA 0.117 53.143 53.050 -0.040 0.000 0.869 62 N CB 0.546 39.001 38.487 -0.053 0.000 1.071 62 N HN 0.394 nan 8.380 nan 0.000 0.480 63 R N 4.057 124.541 120.500 -0.027 0.000 2.343 63 R HA -0.005 4.369 4.340 0.057 0.000 0.202 63 R C 0.467 176.754 176.300 -0.022 0.000 1.023 63 R CA 0.733 56.822 56.100 -0.018 0.000 1.084 63 R CB -0.118 30.183 30.300 0.003 0.000 0.956 63 R HN 0.540 nan 8.270 nan 0.000 0.478 64 R N -0.360 120.111 120.500 -0.048 0.000 2.404 64 R HA 0.257 4.631 4.340 0.057 0.000 0.237 64 R C -0.507 175.691 176.300 -0.171 0.000 0.907 64 R CA -0.295 55.773 56.100 -0.052 0.000 1.063 64 R CB 0.503 30.793 30.300 -0.017 0.000 1.134 64 R HN 0.014 nan 8.270 nan 0.000 0.529 65 L N 0.832 121.927 121.223 -0.213 0.000 2.276 65 L HA 0.446 4.820 4.340 0.057 0.000 0.286 65 L C 0.448 177.073 176.870 -0.409 0.000 1.024 65 L CA -0.233 54.432 54.840 -0.291 0.000 0.826 65 L CB 1.030 42.991 42.059 -0.163 0.000 1.211 65 L HN 0.028 nan 8.230 nan 0.000 0.422 66 G N 3.295 111.581 108.800 -0.858 0.000 2.642 66 G HA2 0.491 4.485 3.960 0.057 0.000 0.291 66 G HA3 0.491 4.485 3.960 0.057 0.000 0.291 66 G C 0.473 175.324 174.900 -0.081 0.000 1.345 66 G CA -0.384 44.336 45.100 -0.635 0.000 1.043 66 G HN 0.452 nan 8.290 nan 0.000 0.528 67 R N -0.328 120.249 120.500 0.127 0.000 2.397 67 R HA 0.190 4.564 4.340 0.057 0.000 0.241 67 R C 0.063 176.471 176.300 0.179 0.000 0.914 67 R CA -0.385 55.849 56.100 0.225 0.000 1.071 67 R CB -0.016 30.366 30.300 0.138 0.000 1.116 67 R HN 0.393 nan 8.270 nan 0.000 0.524 68 N N 1.037 119.845 118.700 0.180 0.000 2.546 68 N HA 0.206 4.980 4.740 0.057 0.000 0.238 68 N C 0.488 175.764 175.510 -0.390 0.000 0.984 68 N CA 0.012 53.011 53.050 -0.085 0.000 0.935 68 N CB 1.703 40.196 38.487 0.009 0.000 1.122 68 N HN 0.014 nan 8.380 nan 0.000 0.510 69 A N 3.723 125.930 122.820 -1.021 0.000 1.978 69 A HA -0.164 4.190 4.320 0.057 0.000 0.220 69 A C 2.038 179.215 177.584 -0.678 0.000 1.170 69 A CA 1.288 52.407 52.037 -1.529 0.000 0.636 69 A CB -0.157 17.635 19.000 -2.012 0.000 0.810 69 A HN 0.724 nan 8.150 nan 0.000 0.448 70 R N -0.838 119.386 120.500 -0.460 0.000 2.236 70 R HA 0.068 4.442 4.340 0.057 0.000 0.208 70 R C 1.268 177.421 176.300 -0.246 0.000 1.036 70 R CA 1.106 57.032 56.100 -0.291 0.000 1.001 70 R CB -0.110 30.047 30.300 -0.239 0.000 0.896 70 R HN 0.274 nan 8.270 nan 0.000 0.464 71 V N 0.076 119.814 119.914 -0.293 0.000 2.825 71 V HA 0.087 4.241 4.120 0.057 0.000 0.246 71 V C 2.168 178.007 176.094 -0.425 0.000 1.068 71 V CA 1.300 63.376 62.300 -0.373 0.000 1.088 71 V CB 0.252 31.765 31.823 -0.516 0.000 0.733 71 V HN 0.470 nan 8.190 nan 0.000 0.468 72 A N 1.133 123.781 122.820 -0.286 0.000 1.841 72 A HA -0.189 4.165 4.320 0.057 0.000 0.214 72 A C 2.484 180.065 177.584 -0.004 0.000 1.195 72 A CA 2.232 54.262 52.037 -0.013 0.000 0.611 72 A CB -0.863 18.331 19.000 0.323 0.000 0.835 72 A HN 0.647 nan 8.150 nan 0.000 0.443 73 S N -1.524 114.153 115.700 -0.039 0.000 2.515 73 S HA 0.270 4.774 4.470 0.057 0.000 0.231 73 S C 1.682 176.258 174.600 -0.040 0.000 0.987 73 S CA 1.265 59.457 58.200 -0.013 0.000 0.936 73 S CB -0.641 62.543 63.200 -0.027 0.000 0.766 73 S HN 1.982 nan 8.310 nan 0.000 0.528 74 G N 1.024 109.775 108.800 -0.082 0.000 2.228 74 G HA2 -0.326 3.668 3.960 0.057 0.000 0.270 74 G HA3 -0.326 3.668 3.960 0.057 0.000 0.270 74 G C 0.074 174.935 174.900 -0.064 0.000 0.976 74 G CA 0.641 45.697 45.100 -0.074 0.000 0.636 74 G HN 0.602 nan 8.290 nan 0.000 0.542 75 D N -0.795 119.566 120.400 -0.064 0.000 2.414 75 D HA 0.580 5.254 4.640 0.057 0.000 0.259 75 D C 1.451 177.705 176.300 -0.077 0.000 1.269 75 D CA 1.040 55.005 54.000 -0.058 0.000 1.028 75 D CB 0.718 41.487 40.800 -0.051 0.000 1.093 75 D HN 0.172 nan 8.370 nan 0.000 0.545 76 T N -1.509 113.002 114.554 -0.072 0.000 3.207 76 T HA 0.045 4.429 4.350 0.057 0.000 0.277 76 T C 0.309 174.962 174.700 -0.078 0.000 0.865 76 T CA -0.381 61.670 62.100 -0.081 0.000 0.857 76 T CB 0.420 69.247 68.868 -0.069 0.000 1.240 76 T HN 0.235 nan 8.240 nan 0.000 0.618 77 D N 3.091 123.451 120.400 -0.067 0.000 2.323 77 D HA 0.062 4.737 4.640 0.057 0.000 0.239 77 D C 0.565 176.819 176.300 -0.076 0.000 1.129 77 D CA 0.608 54.570 54.000 -0.063 0.000 0.865 77 D CB 0.374 41.146 40.800 -0.047 0.000 0.913 77 D HN 0.404 nan 8.370 nan 0.000 0.517 78 T N -0.745 113.751 114.554 -0.098 0.000 2.779 78 T HA 0.556 4.940 4.350 0.057 0.000 0.280 78 T C -0.169 174.434 174.700 -0.162 0.000 0.987 78 T CA -0.788 61.236 62.100 -0.126 0.000 0.966 78 T CB 1.528 70.309 68.868 -0.145 0.000 0.933 78 T HN 0.000 nan 8.240 nan 0.000 0.442 79 A N 6.410 129.128 122.820 -0.169 0.000 2.477 79 A HA 0.464 4.818 4.320 0.057 0.000 0.246 79 A C -1.364 176.067 177.584 -0.255 0.000 1.078 79 A CA -1.127 50.794 52.037 -0.193 0.000 0.770 79 A CB -0.077 18.810 19.000 -0.187 0.000 1.011 79 A HN 0.750 nan 8.150 nan 0.000 0.494 80 P HA -0.055 nan 4.420 nan 0.000 0.217 80 P C 0.224 177.330 177.300 -0.324 0.000 1.150 80 P CA 1.506 64.453 63.100 -0.255 0.000 0.832 80 P CB -0.208 31.386 31.700 -0.176 0.000 0.787 81 V N -5.151 114.554 119.914 -0.349 0.000 2.815 81 V HA 0.483 4.637 4.120 0.057 0.000 0.314 81 V C -2.249 173.609 176.094 -0.393 0.000 1.064 81 V CA -2.644 59.353 62.300 -0.505 0.000 0.952 81 V CB 1.279 32.742 31.823 -0.599 0.000 1.020 81 V HN -0.164 nan 8.190 nan 0.000 0.439 82 P HA 0.228 nan 4.420 nan 0.000 0.277 82 P C -0.452 176.745 177.300 -0.172 0.000 1.617 82 P CA 0.308 63.296 63.100 -0.187 0.000 0.829 82 P CB -0.140 31.509 31.700 -0.084 0.000 1.774 83 I N 1.797 122.226 120.570 -0.234 0.000 2.404 83 I HA 0.412 4.617 4.170 0.057 0.000 0.293 83 I C -2.381 173.581 176.117 -0.258 0.000 0.992 83 I CA -3.291 57.863 61.300 -0.244 0.000 1.149 83 I CB 1.863 39.712 38.000 -0.251 0.000 1.315 83 I HN -0.197 nan 8.210 nan 0.000 0.446 84 P HA 0.123 nan 4.420 nan 0.000 0.266 84 P C 0.622 177.792 177.300 -0.216 0.000 1.215 84 P CA 0.132 63.053 63.100 -0.298 0.000 0.763 84 P CB 0.398 31.831 31.700 -0.444 0.000 0.806 85 T N 2.547 116.996 114.554 -0.176 0.000 2.685 85 T HA -0.254 4.130 4.350 0.057 0.000 0.268 85 T C 1.499 176.098 174.700 -0.169 0.000 1.034 85 T CA 1.900 63.910 62.100 -0.150 0.000 1.149 85 T CB -0.514 68.279 68.868 -0.124 0.000 0.860 85 T HN 0.640 nan 8.240 nan 0.000 0.449 86 E N 0.844 120.901 120.200 -0.239 0.000 2.273 86 E HA -0.204 4.180 4.350 0.057 0.000 0.198 86 E C 0.204 176.562 176.600 -0.402 0.000 1.002 86 E CA 0.989 57.196 56.400 -0.322 0.000 0.828 86 E CB -0.370 29.089 29.700 -0.401 0.000 0.747 86 E HN 0.552 nan 8.360 nan 0.000 0.491 87 H N 1.039 120.034 119.070 -0.126 0.000 2.641 87 H HA 0.270 4.861 4.556 0.058 0.000 0.295 87 H C 0.448 175.724 175.328 -0.088 0.000 1.070 87 H CA -0.329 55.660 56.048 -0.098 0.000 1.257 87 H CB 1.296 30.977 29.762 -0.135 0.000 1.393 87 H HN 0.106 nan 8.280 nan 0.000 0.464 88 R N 2.318 122.842 120.500 0.040 0.000 2.048 88 R HA 0.027 4.401 4.340 0.057 0.000 0.224 88 R C 2.346 178.662 176.300 0.027 0.000 1.163 88 R CA 1.171 57.278 56.100 0.012 0.000 0.956 88 R CB -0.343 29.961 30.300 0.006 0.000 0.849 88 R HN 0.546 nan 8.270 nan 0.000 0.435 89 A N 1.788 124.642 122.820 0.057 0.000 1.859 89 A HA -0.233 4.121 4.320 0.057 0.000 0.218 89 A C 2.117 179.733 177.584 0.054 0.000 1.209 89 A CA 1.810 53.889 52.037 0.071 0.000 0.639 89 A CB -0.996 18.064 19.000 0.100 0.000 0.835 89 A HN 0.269 nan 8.150 nan 0.000 0.450 90 L N 0.127 121.381 121.223 0.051 0.000 1.991 90 L HA -0.266 4.108 4.340 0.057 0.000 0.221 90 L C 2.472 179.295 176.870 -0.078 0.000 1.079 90 L CA 3.081 57.925 54.840 0.006 0.000 0.778 90 L CB -0.923 41.133 42.059 -0.005 0.000 0.893 90 L HN 0.538 nan 8.230 nan 0.000 0.437 91 R N -1.074 119.379 120.500 -0.079 0.000 2.159 91 R HA -0.131 4.243 4.340 0.057 0.000 0.237 91 R C 1.904 178.125 176.300 -0.132 0.000 1.131 91 R CA 2.210 58.230 56.100 -0.135 0.000 0.982 91 R CB -1.067 29.169 30.300 -0.107 0.000 0.868 91 R HN 0.496 nan 8.270 nan 0.000 0.453 92 T N -0.748 113.763 114.554 -0.070 0.000 3.043 92 T HA 0.083 4.467 4.350 0.057 0.000 0.263 92 T C 1.410 176.083 174.700 -0.046 0.000 1.094 92 T CA 0.966 63.040 62.100 -0.043 0.000 1.127 92 T CB 0.166 69.037 68.868 0.006 0.000 0.905 92 T HN 0.035 nan 8.240 nan 0.000 0.490 93 V N 0.640 120.513 119.914 -0.068 0.000 2.725 93 V HA 0.025 4.180 4.120 0.057 0.000 0.247 93 V C 2.399 178.251 176.094 -0.404 0.000 1.058 93 V CA 0.810 63.078 62.300 -0.053 0.000 1.080 93 V CB -0.001 31.870 31.823 0.080 0.000 0.713 93 V HN 0.279 nan 8.190 nan 0.000 0.465 94 V N -0.154 119.386 119.914 -0.624 0.000 2.649 94 V HA -0.110 4.044 4.120 0.057 0.000 0.248 94 V C 2.282 178.017 176.094 -0.597 0.000 1.054 94 V CA 1.347 62.964 62.300 -1.138 0.000 1.073 94 V CB -0.389 30.899 31.823 -0.891 0.000 0.699 94 V HN 0.585 nan 8.190 nan 0.000 0.463 95 E N 0.467 120.472 120.200 -0.325 0.000 2.204 95 E HA -0.139 4.246 4.350 0.057 0.000 0.194 95 E C 1.224 177.805 176.600 -0.031 0.000 0.989 95 E CA 0.767 57.078 56.400 -0.149 0.000 0.824 95 E CB -0.114 29.524 29.700 -0.103 0.000 0.756 95 E HN 0.562 nan 8.360 nan 0.000 0.477 96 N N 0.111 118.791 118.700 -0.034 0.000 2.313 96 N HA -0.024 4.750 4.740 0.057 0.000 0.207 96 N C -0.857 174.782 175.510 0.215 0.000 1.141 96 N CA 0.238 53.351 53.050 0.104 0.000 0.830 96 N CB 0.209 38.772 38.487 0.126 0.000 1.008 96 N HN 0.096 nan 8.380 nan 0.000 0.481 97 W N 1.031 122.256 121.300 -0.125 0.000 2.338 97 W HA 0.213 4.910 4.660 0.061 0.000 0.307 97 W C 1.448 177.713 176.519 -0.423 0.000 1.167 97 W CA -1.362 55.667 57.345 -0.526 0.000 1.208 97 W CB 0.249 29.276 29.460 -0.722 0.000 1.228 97 W HN -0.055 nan 8.180 nan 0.000 0.499 98 L N 4.351 125.515 121.223 -0.097 0.000 2.051 98 L HA -0.246 4.128 4.340 0.057 0.000 0.214 98 L C 1.992 178.981 176.870 0.197 0.000 1.076 98 L CA 2.034 56.964 54.840 0.150 0.000 0.758 98 L CB -1.076 41.162 42.059 0.299 0.000 0.890 98 L HN 0.351 nan 8.230 nan 0.000 0.433 99 V N -0.739 119.203 119.914 0.047 0.000 2.453 99 V HA -0.280 3.874 4.120 0.057 0.000 0.252 99 V C 1.592 177.460 176.094 -0.378 0.000 1.068 99 V CA 1.861 64.063 62.300 -0.163 0.000 1.070 99 V CB -0.528 31.097 31.823 -0.329 0.000 0.664 99 V HN 0.476 nan 8.190 nan 0.000 0.461 100 F N -0.334 119.618 119.950 0.002 0.000 2.713 100 F HA 0.444 5.006 4.527 0.058 0.000 0.294 100 F C 0.135 175.936 175.800 0.002 0.000 1.152 100 F CA -0.688 57.292 58.000 -0.033 0.000 1.385 100 F CB -0.183 38.794 39.000 -0.038 0.000 0.981 100 F HN 0.063 nan 8.300 nan 0.000 0.514 101 L N 0.206 121.541 121.223 0.186 0.000 2.331 101 L HA 0.432 4.806 4.340 0.057 0.000 0.275 101 L C -0.084 176.910 176.870 0.207 0.000 1.022 101 L CA -0.565 54.382 54.840 0.177 0.000 0.812 101 L CB 1.106 43.219 42.059 0.091 0.000 1.257 101 L HN -0.103 nan 8.230 nan 0.000 0.435 102 D N 2.558 123.071 120.400 0.188 0.000 2.326 102 D HA 0.449 5.123 4.640 0.057 0.000 0.248 102 D C -2.422 173.993 176.300 0.192 0.000 1.001 102 D CA -1.384 52.715 54.000 0.165 0.000 0.961 102 D CB 1.571 42.500 40.800 0.215 0.000 1.183 102 D HN 0.205 nan 8.370 nan 0.000 0.502 103 P HA 0.121 nan 4.420 nan 0.000 0.272 103 P C -1.613 175.783 177.300 0.160 0.000 1.223 103 P CA -0.747 62.463 63.100 0.185 0.000 0.784 103 P CB 0.414 32.195 31.700 0.135 0.000 0.923 104 P HA -0.116 nan 4.420 nan 0.000 0.222 104 P C 1.379 178.797 177.300 0.198 0.000 1.157 104 P CA 1.302 64.488 63.100 0.143 0.000 0.816 104 P CB -0.083 31.675 31.700 0.097 0.000 0.813 105 H N 0.063 119.192 119.070 0.098 0.000 2.289 105 H HA -0.266 4.325 4.556 0.058 0.000 0.294 105 H C 2.423 177.820 175.328 0.114 0.000 1.095 105 H CA 2.062 58.166 56.048 0.094 0.000 1.256 105 H CB -0.299 29.523 29.762 0.100 0.000 1.359 105 H HN 0.193 nan 8.280 nan 0.000 0.487 106 H N -0.116 118.982 119.070 0.045 0.000 2.352 106 H HA -0.109 4.481 4.556 0.056 0.000 0.299 106 H C 2.079 177.410 175.328 0.005 0.000 1.097 106 H CA 2.429 58.455 56.048 -0.036 0.000 1.311 106 H CB -0.372 29.393 29.762 0.004 0.000 1.377 106 H HN 0.289 nan 8.280 nan 0.000 0.504 107 T N 0.449 114.968 114.554 -0.059 0.000 2.684 107 T HA -0.167 4.217 4.350 0.057 0.000 0.267 107 T C 1.729 176.370 174.700 -0.098 0.000 1.036 107 T CA 1.750 63.776 62.100 -0.122 0.000 1.148 107 T CB -0.222 68.665 68.868 0.032 0.000 0.863 107 T HN 0.537 nan 8.240 nan 0.000 0.436 108 E N 0.482 120.685 120.200 0.004 0.000 2.110 108 E HA -0.039 4.345 4.350 0.057 0.000 0.193 108 E C 2.055 178.667 176.600 0.020 0.000 0.988 108 E CA 0.641 57.060 56.400 0.030 0.000 0.804 108 E CB -0.193 29.557 29.700 0.085 0.000 0.745 108 E HN 0.210 nan 8.360 nan 0.000 0.458 109 L N 0.694 121.930 121.223 0.021 0.000 2.179 109 L HA -0.031 4.343 4.340 0.057 0.000 0.208 109 L C 2.267 179.109 176.870 -0.047 0.000 1.096 109 L CA 1.375 56.225 54.840 0.016 0.000 0.779 109 L CB -0.062 42.012 42.059 0.025 0.000 0.922 109 L HN -0.107 nan 8.230 nan 0.000 0.443 110 R N -1.694 118.707 120.500 -0.165 0.000 2.115 110 R HA -0.098 4.276 4.340 0.057 0.000 0.226 110 R C 2.369 178.623 176.300 -0.077 0.000 1.100 110 R CA 1.287 57.287 56.100 -0.167 0.000 0.980 110 R CB -0.152 29.928 30.300 -0.368 0.000 0.875 110 R HN 0.338 nan 8.270 nan 0.000 0.445 111 S N 0.440 116.097 115.700 -0.073 0.000 2.371 111 S HA -0.087 4.418 4.470 0.057 0.000 0.224 111 S C 1.717 176.311 174.600 -0.010 0.000 1.029 111 S CA 0.960 59.140 58.200 -0.034 0.000 0.978 111 S CB -0.168 63.014 63.200 -0.030 0.000 0.833 111 S HN 0.367 nan 8.310 nan 0.000 0.466 112 L N 0.721 121.942 121.223 -0.003 0.000 2.201 112 L HA 0.130 4.504 4.340 0.057 0.000 0.212 112 L C 1.666 178.542 176.870 0.011 0.000 1.105 112 L CA 1.479 56.323 54.840 0.006 0.000 0.775 112 L CB -0.349 41.721 42.059 0.018 0.000 0.913 112 L HN 0.261 nan 8.230 nan 0.000 0.440 113 L N -1.215 120.026 121.223 0.030 0.000 2.200 113 L HA 0.036 4.410 4.340 0.057 0.000 0.200 113 L C 2.500 179.439 176.870 0.117 0.000 1.072 113 L CA 1.827 56.712 54.840 0.075 0.000 0.787 113 L CB -1.072 41.058 42.059 0.118 0.000 0.957 113 L HN 0.299 nan 8.230 nan 0.000 0.459 114 T N -0.925 113.692 114.554 0.105 0.000 2.751 114 T HA -0.255 4.129 4.350 0.057 0.000 0.268 114 T C 1.784 176.538 174.700 0.091 0.000 1.045 114 T CA 2.196 64.373 62.100 0.129 0.000 1.142 114 T CB -0.227 68.672 68.868 0.051 0.000 0.851 114 T HN 0.621 nan 8.240 nan 0.000 0.474 115 T N -0.811 113.752 114.554 0.015 0.000 3.007 115 T HA 0.021 4.405 4.350 0.057 0.000 0.270 115 T C 1.489 176.130 174.700 -0.099 0.000 1.107 115 T CA 0.763 62.845 62.100 -0.029 0.000 1.118 115 T CB -0.136 68.710 68.868 -0.037 0.000 0.889 115 T HN 0.351 nan 8.240 nan 0.000 0.506 116 E N 0.390 120.469 120.200 -0.202 0.000 2.489 116 E HA 0.163 4.547 4.350 0.057 0.000 0.193 116 E C -0.167 175.983 176.600 -0.749 0.000 1.057 116 E CA 0.226 56.332 56.400 -0.490 0.000 0.866 116 E CB -0.044 29.259 29.700 -0.663 0.000 0.916 116 E HN 0.696 nan 8.360 nan 0.000 0.500 117 F N 0.509 120.430 119.950 -0.048 0.000 2.835 117 F HA 0.127 4.687 4.527 0.054 0.000 0.342 117 F C 0.687 176.455 175.800 -0.053 0.000 1.202 117 F CA -0.736 57.230 58.000 -0.057 0.000 1.240 117 F CB 0.165 39.120 39.000 -0.076 0.000 1.005 117 F HN -0.238 nan 8.300 nan 0.000 0.507 118 S N -0.376 115.350 115.700 0.043 0.000 2.579 118 S HA 0.195 4.699 4.470 0.057 0.000 0.275 118 S C -1.727 172.883 174.600 0.017 0.000 1.345 118 S CA -0.871 57.343 58.200 0.024 0.000 1.031 118 S CB 1.253 64.449 63.200 -0.007 0.000 0.892 118 S HN -0.019 nan 8.310 nan 0.000 0.529 119 P HA -0.111 nan 4.420 nan 0.000 0.219 119 P C 1.736 179.035 177.300 -0.001 0.000 1.146 119 P CA 1.535 64.637 63.100 0.003 0.000 0.808 119 P CB -0.092 31.607 31.700 -0.002 0.000 0.779 120 S N -1.517 114.180 115.700 -0.005 0.000 2.414 120 S HA -0.055 4.450 4.470 0.057 0.000 0.227 120 S C 1.914 176.507 174.600 -0.012 0.000 1.022 120 S CA 0.646 58.840 58.200 -0.009 0.000 0.958 120 S CB -1.224 61.969 63.200 -0.012 0.000 0.797 120 S HN 0.022 nan 8.310 nan 0.000 0.493 121 I N 1.245 121.804 120.570 -0.018 0.000 2.233 121 I HA -0.085 4.119 4.170 0.057 0.000 0.243 121 I C 2.457 178.568 176.117 -0.011 0.000 1.093 121 I CA 0.879 62.163 61.300 -0.027 0.000 1.380 121 I CB -0.371 37.596 38.000 -0.055 0.000 1.067 121 I HN 0.201 nan 8.210 nan 0.000 0.413 122 V N 0.674 120.590 119.914 0.003 0.000 2.332 122 V HA -0.315 3.839 4.120 0.057 0.000 0.248 122 V C 2.503 178.601 176.094 0.006 0.000 1.055 122 V CA 2.507 64.814 62.300 0.012 0.000 1.038 122 V CB -0.991 30.842 31.823 0.017 0.000 0.651 122 V HN 0.481 nan 8.190 nan 0.000 0.450 123 T N 0.404 114.960 114.554 0.002 0.000 2.746 123 T HA -0.129 4.255 4.350 0.057 0.000 0.267 123 T C 1.700 176.401 174.700 0.002 0.000 1.039 123 T CA 1.549 63.650 62.100 0.002 0.000 1.142 123 T CB -0.565 68.303 68.868 0.001 0.000 0.866 123 T HN 0.621 nan 8.240 nan 0.000 0.444 124 G N -0.011 108.788 108.800 -0.002 0.000 2.956 124 G HA2 0.132 4.127 3.960 0.057 0.000 0.207 124 G HA3 0.132 4.127 3.960 0.057 0.000 0.207 124 G C 1.091 175.990 174.900 -0.002 0.000 1.162 124 G CA 0.097 45.195 45.100 -0.003 0.000 0.796 124 G HN 0.330 nan 8.290 nan 0.000 0.527 125 L N -0.784 120.439 121.223 0.001 0.000 2.642 125 L HA 0.406 4.780 4.340 0.057 0.000 0.233 125 L C 2.519 179.394 176.870 0.008 0.000 1.077 125 L CA 0.295 55.138 54.840 0.004 0.000 0.879 125 L CB -0.174 41.889 42.059 0.006 0.000 1.151 125 L HN 0.042 nan 8.230 nan 0.000 0.495 126 R N 0.257 120.763 120.500 0.009 0.000 2.133 126 R HA -0.207 4.167 4.340 0.057 0.000 0.247 126 R C -0.595 175.713 176.300 0.015 0.000 1.151 126 R CA 2.074 58.182 56.100 0.013 0.000 0.971 126 R CB -1.553 28.755 30.300 0.013 0.000 0.866 126 R HN 0.355 nan 8.270 nan 0.000 0.447 127 P HA -0.153 nan 4.420 nan 0.000 0.215 127 P C 0.923 178.231 177.300 0.013 0.000 1.157 127 P CA 1.139 64.246 63.100 0.013 0.000 0.863 127 P CB 0.026 31.732 31.700 0.010 0.000 0.787 128 R N 0.063 120.569 120.500 0.010 0.000 2.148 128 R HA 0.015 4.389 4.340 0.057 0.000 0.223 128 R C 1.987 178.292 176.300 0.009 0.000 1.088 128 R CA 1.287 57.392 56.100 0.009 0.000 0.985 128 R CB -1.534 28.770 30.300 0.007 0.000 0.880 128 R HN 0.149 nan 8.270 nan 0.000 0.451 129 I N 0.110 120.686 120.570 0.009 0.000 2.439 129 I HA -0.097 4.107 4.170 0.057 0.000 0.251 129 I C 2.176 178.305 176.117 0.019 0.000 1.139 129 I CA 1.049 62.353 61.300 0.007 0.000 1.438 129 I CB -0.291 37.715 38.000 0.009 0.000 1.085 129 I HN 0.273 nan 8.210 nan 0.000 0.427 130 A N 0.305 123.141 122.820 0.027 0.000 1.897 130 A HA -0.227 4.127 4.320 0.057 0.000 0.215 130 A C 2.339 179.946 177.584 0.039 0.000 1.181 130 A CA 1.609 53.669 52.037 0.039 0.000 0.620 130 A CB -0.546 18.473 19.000 0.032 0.000 0.821 130 A HN 0.459 nan 8.150 nan 0.000 0.443 131 E N -0.594 119.623 120.200 0.027 0.000 2.110 131 E HA -0.181 4.203 4.350 0.057 0.000 0.193 131 E C 1.845 178.461 176.600 0.026 0.000 0.988 131 E CA 1.018 57.434 56.400 0.025 0.000 0.804 131 E CB -0.124 29.587 29.700 0.018 0.000 0.745 131 E HN 0.351 nan 8.360 nan 0.000 0.458 132 L N 1.159 122.392 121.223 0.016 0.000 1.994 132 L HA -0.101 4.274 4.340 0.057 0.000 0.208 132 L C 2.575 179.457 176.870 0.019 0.000 1.071 132 L CA 2.064 56.904 54.840 0.000 0.000 0.745 132 L CB -1.580 40.462 42.059 -0.028 0.000 0.892 132 L HN 0.199 nan 8.230 nan 0.000 0.431 133 A N -1.673 121.173 122.820 0.044 0.000 1.917 133 A HA -0.287 4.067 4.320 0.057 0.000 0.219 133 A C 2.621 180.327 177.584 0.203 0.000 1.182 133 A CA 2.330 54.462 52.037 0.158 0.000 0.633 133 A CB -0.997 18.126 19.000 0.205 0.000 0.819 133 A HN 0.469 nan 8.150 nan 0.000 0.448 134 S N -0.821 114.946 115.700 0.113 0.000 2.348 134 S HA -0.030 4.474 4.470 0.057 0.000 0.221 134 S C 2.210 176.852 174.600 0.070 0.000 1.033 134 S CA 1.498 59.746 58.200 0.081 0.000 1.010 134 S CB -0.477 62.754 63.200 0.050 0.000 0.891 134 S HN 0.860 nan 8.310 nan 0.000 0.442 135 A N 0.605 123.459 122.820 0.056 0.000 2.019 135 A HA 0.006 4.361 4.320 0.057 0.000 0.219 135 A C 2.066 179.683 177.584 0.054 0.000 1.164 135 A CA 1.265 53.329 52.037 0.044 0.000 0.644 135 A CB -0.593 18.425 19.000 0.030 0.000 0.805 135 A HN 0.515 nan 8.150 nan 0.000 0.449 136 L N -0.526 120.745 121.223 0.080 0.000 2.072 136 L HA 0.008 4.382 4.340 0.057 0.000 0.205 136 L C 2.209 179.165 176.870 0.144 0.000 1.079 136 L CA 1.336 56.238 54.840 0.104 0.000 0.752 136 L CB -0.285 41.847 42.059 0.122 0.000 0.906 136 L HN 0.390 nan 8.230 nan 0.000 0.436 137 L N -0.865 120.450 121.223 0.153 0.000 2.362 137 L HA -0.156 4.218 4.340 0.057 0.000 0.219 137 L C 1.825 178.714 176.870 0.031 0.000 1.134 137 L CA 0.474 55.352 54.840 0.062 0.000 0.807 137 L CB -0.652 41.405 42.059 -0.003 0.000 0.927 137 L HN 0.288 nan 8.230 nan 0.000 0.447 138 D N 0.160 120.584 120.400 0.041 0.000 2.110 138 D HA -0.093 4.582 4.640 0.057 0.000 0.202 138 D C 2.332 178.649 176.300 0.028 0.000 0.975 138 D CA 1.023 55.040 54.000 0.027 0.000 0.839 138 D CB -0.015 40.802 40.800 0.028 0.000 0.996 138 D HN 0.159 nan 8.370 nan 0.000 0.464 139 R N 0.030 120.553 120.500 0.037 0.000 2.081 139 R HA -0.080 4.294 4.340 0.057 0.000 0.235 139 R C 2.221 178.542 176.300 0.036 0.000 1.131 139 R CA 0.536 56.658 56.100 0.037 0.000 0.960 139 R CB -0.436 29.890 30.300 0.043 0.000 0.856 139 R HN 0.115 nan 8.270 nan 0.000 0.436 140 L N 1.056 122.305 121.223 0.044 0.000 2.191 140 L HA -0.114 4.260 4.340 0.057 0.000 0.212 140 L C 2.289 179.169 176.870 0.017 0.000 1.103 140 L CA 1.580 56.443 54.840 0.038 0.000 0.769 140 L CB -0.282 41.810 42.059 0.055 0.000 0.908 140 L HN 0.015 nan 8.230 nan 0.000 0.438 141 R N -0.670 119.836 120.500 0.010 0.000 2.093 141 R HA 0.104 4.478 4.340 0.057 0.000 0.224 141 R C 1.204 177.507 176.300 0.005 0.000 1.101 141 R CA 0.780 56.880 56.100 0.000 0.000 0.979 141 R CB -0.143 30.154 30.300 -0.005 0.000 0.877 141 R HN 0.373 nan 8.270 nan 0.000 0.441 142 A N 1.412 124.239 122.820 0.011 0.000 3.033 142 A HA 0.097 4.452 4.320 0.057 0.000 0.250 142 A C -0.372 177.221 177.584 0.014 0.000 1.633 142 A CA 0.107 52.151 52.037 0.012 0.000 1.290 142 A CB -0.189 18.820 19.000 0.014 0.000 1.048 142 A HN 0.359 nan 8.150 nan 0.000 0.648 143 Q N -0.467 119.340 119.800 0.012 0.000 2.418 143 Q HA 0.460 4.834 4.340 0.057 0.000 0.282 143 Q C -0.749 175.259 176.000 0.013 0.000 1.044 143 Q CA -0.816 54.996 55.803 0.015 0.000 0.813 143 Q CB 1.792 30.541 28.738 0.020 0.000 1.428 143 Q HN 0.569 nan 8.270 nan 0.000 0.402 144 R N 1.954 122.463 120.500 0.014 0.000 2.216 144 R HA 0.326 4.700 4.340 0.057 0.000 0.332 144 R C -0.760 175.548 176.300 0.014 0.000 1.056 144 R CA 0.154 56.261 56.100 0.013 0.000 0.901 144 R CB 0.287 30.594 30.300 0.012 0.000 1.039 144 R HN 0.664 nan 8.270 nan 0.000 0.456 145 R N 2.881 123.389 120.500 0.013 0.000 3.076 145 R HA -0.100 4.274 4.340 0.057 0.000 0.261 145 R C -2.301 174.009 176.300 0.017 0.000 0.930 145 R CA 0.081 56.190 56.100 0.016 0.000 0.649 145 R CB -0.922 29.389 30.300 0.017 0.000 1.350 145 R HN 0.558 nan 8.270 nan 0.000 0.453 146 P HA -0.024 nan 4.420 nan 0.000 0.265 146 P C -0.588 176.722 177.300 0.017 0.000 1.193 146 P CA 0.263 63.371 63.100 0.015 0.000 0.765 146 P CB 0.762 32.465 31.700 0.004 0.000 0.823 147 D N 3.017 123.432 120.400 0.024 0.000 2.441 147 D HA 0.117 4.791 4.640 0.057 0.000 0.231 147 D C 1.030 177.351 176.300 0.034 0.000 1.073 147 D CA -0.597 53.417 54.000 0.023 0.000 0.850 147 D CB 0.461 41.275 40.800 0.024 0.000 1.062 147 D HN -0.086 nan 8.370 nan 0.000 0.524 148 L N 3.714 124.949 121.223 0.020 0.000 2.263 148 L HA -0.135 4.239 4.340 0.057 0.000 0.216 148 L C 1.873 178.803 176.870 0.100 0.000 1.111 148 L CA 1.086 55.954 54.840 0.046 0.000 0.773 148 L CB -0.538 41.511 42.059 -0.015 0.000 0.906 148 L HN 0.469 nan 8.230 nan 0.000 0.439 149 V N -0.181 119.760 119.914 0.046 0.000 2.284 149 V HA -0.201 3.953 4.120 0.057 0.000 0.236 149 V C 2.322 178.438 176.094 0.037 0.000 1.044 149 V CA 1.466 63.787 62.300 0.035 0.000 1.019 149 V CB -0.695 31.126 31.823 -0.004 0.000 0.657 149 V HN 0.596 nan 8.190 nan 0.000 0.465 150 E N 1.159 121.376 120.200 0.029 0.000 2.265 150 E HA -0.102 4.282 4.350 0.057 0.000 0.196 150 E C 1.806 178.424 176.600 0.031 0.000 0.996 150 E CA 1.392 57.806 56.400 0.025 0.000 0.832 150 E CB -0.369 29.348 29.700 0.029 0.000 0.756 150 E HN 0.557 nan 8.360 nan 0.000 0.491 151 G N -1.242 107.593 108.800 0.058 0.000 3.126 151 G HA2 0.197 4.191 3.960 0.057 0.000 0.224 151 G HA3 0.197 4.191 3.960 0.057 0.000 0.224 151 G C 0.418 175.411 174.900 0.155 0.000 1.142 151 G CA 0.150 45.298 45.100 0.079 0.000 0.759 151 G HN 0.346 nan 8.290 nan 0.000 0.550 152 F N -0.783 119.142 119.950 -0.041 0.000 1.788 152 F HA 0.355 4.892 4.527 0.016 0.000 0.235 152 F C 2.119 177.896 175.800 -0.038 0.000 1.248 152 F CA 0.775 58.749 58.000 -0.044 0.000 1.301 152 F CB -0.341 38.638 39.000 -0.035 0.000 1.951 152 F HN 0.000 nan 8.300 nan 0.000 0.199 153 A N 1.015 123.852 122.820 0.027 0.000 1.986 153 A HA -0.002 4.353 4.320 0.057 0.000 0.220 153 A C 2.047 179.563 177.584 -0.114 0.000 1.171 153 A CA 2.582 54.587 52.037 -0.055 0.000 0.640 153 A CB -1.429 17.634 19.000 0.105 0.000 0.811 153 A HN 0.663 nan 8.150 nan 0.000 0.451 154 A N -0.159 122.609 122.820 -0.087 0.000 1.862 154 A HA 0.117 4.471 4.320 0.057 0.000 0.211 154 A C 0.399 177.865 177.584 -0.198 0.000 1.220 154 A CA 1.075 53.068 52.037 -0.073 0.000 0.616 154 A CB -1.062 17.916 19.000 -0.037 0.000 0.878 154 A HN 0.480 nan 8.150 nan 0.000 0.453 155 P HA -0.112 nan 4.420 nan 0.000 0.221 155 P C 1.622 178.739 177.300 -0.305 0.000 1.150 155 P CA 0.902 63.824 63.100 -0.298 0.000 0.800 155 P CB -0.093 31.383 31.700 -0.373 0.000 0.787 156 L N 2.458 123.459 121.223 -0.370 0.000 1.955 156 L HA -0.038 4.336 4.340 0.057 0.000 0.213 156 L C -0.701 176.048 176.870 -0.201 0.000 1.072 156 L CA 2.862 57.490 54.840 -0.354 0.000 0.755 156 L CB -2.555 39.157 42.059 -0.577 0.000 0.888 156 L HN -0.009 nan 8.230 nan 0.000 0.432 157 P HA -0.151 nan 4.420 nan 0.000 0.221 157 P C 2.175 179.451 177.300 -0.041 0.000 1.150 157 P CA 1.639 64.701 63.100 -0.062 0.000 0.800 157 P CB -0.056 31.639 31.700 -0.009 0.000 0.787 158 I N -0.856 119.650 120.570 -0.106 0.000 2.315 158 I HA -0.194 4.010 4.170 0.057 0.000 0.248 158 I C 2.220 178.320 176.117 -0.029 0.000 1.117 158 I CA 0.923 62.159 61.300 -0.106 0.000 1.404 158 I CB -0.519 37.345 38.000 -0.226 0.000 1.071 158 I HN -0.106 nan 8.210 nan 0.000 0.419 159 L N -0.031 121.157 121.223 -0.058 0.000 2.141 159 L HA -0.109 4.265 4.340 0.057 0.000 0.209 159 L C 2.366 179.239 176.870 0.005 0.000 1.094 159 L CA 1.455 56.283 54.840 -0.019 0.000 0.763 159 L CB -0.896 41.125 42.059 -0.064 0.000 0.908 159 L HN 0.050 nan 8.230 nan 0.000 0.437 160 V N -0.814 119.095 119.914 -0.009 0.000 2.323 160 V HA -0.195 3.959 4.120 0.057 0.000 0.244 160 V C 2.300 178.421 176.094 0.044 0.000 1.041 160 V CA 1.283 63.591 62.300 0.012 0.000 1.025 160 V CB -0.216 31.608 31.823 0.000 0.000 0.656 160 V HN 0.305 nan 8.190 nan 0.000 0.451 161 I N -0.231 120.371 120.570 0.054 0.000 2.439 161 I HA -0.116 4.088 4.170 0.057 0.000 0.251 161 I C 2.389 178.570 176.117 0.106 0.000 1.139 161 I CA 1.371 62.724 61.300 0.089 0.000 1.438 161 I CB -0.170 37.876 38.000 0.076 0.000 1.085 161 I HN 0.165 nan 8.210 nan 0.000 0.427 162 S N 0.732 116.496 115.700 0.105 0.000 2.383 162 S HA -0.067 4.437 4.470 0.057 0.000 0.227 162 S C 2.143 176.816 174.600 0.122 0.000 1.026 162 S CA 1.119 59.405 58.200 0.144 0.000 0.981 162 S CB -0.502 62.787 63.200 0.147 0.000 0.818 162 S HN 0.641 nan 8.310 nan 0.000 0.472 163 A N 0.762 123.632 122.820 0.083 0.000 2.014 163 A HA 0.091 4.446 4.320 0.057 0.000 0.218 163 A C 1.965 179.577 177.584 0.047 0.000 1.163 163 A CA 0.779 52.853 52.037 0.061 0.000 0.652 163 A CB -0.375 18.649 19.000 0.041 0.000 0.808 163 A HN 0.362 nan 8.150 nan 0.000 0.449 164 L N -0.823 120.430 121.223 0.050 0.000 2.044 164 L HA -0.035 4.339 4.340 0.057 0.000 0.205 164 L C 2.203 179.088 176.870 0.026 0.000 1.075 164 L CA 1.391 56.241 54.840 0.018 0.000 0.747 164 L CB -0.894 41.191 42.059 0.043 0.000 0.903 164 L HN 0.262 nan 8.230 nan 0.000 0.435 165 L N -0.281 120.991 121.223 0.082 0.000 2.093 165 L HA 0.110 4.485 4.340 0.057 0.000 0.208 165 L C 1.565 178.501 176.870 0.110 0.000 1.085 165 L CA 1.497 56.401 54.840 0.106 0.000 0.755 165 L CB -1.185 40.984 42.059 0.184 0.000 0.904 165 L HN 0.473 nan 8.230 nan 0.000 0.435 166 G N -0.417 108.452 108.800 0.115 0.000 2.181 166 G HA2 -0.139 3.856 3.960 0.057 0.000 0.152 166 G HA3 -0.139 3.856 3.960 0.057 0.000 0.152 166 G C 0.138 175.115 174.900 0.128 0.000 1.026 166 G CA 0.026 45.184 45.100 0.097 0.000 0.699 166 G HN 0.369 nan 8.290 nan 0.000 0.497 167 I N -2.365 118.310 120.570 0.175 0.000 2.603 167 I HA 0.773 4.977 4.170 0.057 0.000 0.300 167 I C -2.353 173.867 176.117 0.171 0.000 1.017 167 I CA -3.162 58.261 61.300 0.205 0.000 1.098 167 I CB 1.740 39.961 38.000 0.368 0.000 1.279 167 I HN -0.150 nan 8.210 nan 0.000 0.437 168 P HA 0.026 nan 4.420 nan 0.000 0.264 168 P C -0.097 177.282 177.300 0.133 0.000 1.179 168 P CA 0.210 63.377 63.100 0.112 0.000 0.763 168 P CB 0.512 32.263 31.700 0.084 0.000 0.806 169 E N 1.424 121.693 120.200 0.114 0.000 2.285 169 E HA -0.145 4.239 4.350 0.057 0.000 0.194 169 E C 1.121 177.814 176.600 0.154 0.000 0.997 169 E CA 0.763 57.256 56.400 0.154 0.000 0.845 169 E CB -0.063 29.722 29.700 0.142 0.000 0.782 169 E HN 0.566 nan 8.360 nan 0.000 0.491 170 E N 1.191 121.431 120.200 0.067 0.000 2.265 170 E HA -0.160 4.225 4.350 0.057 0.000 0.196 170 E C 0.880 177.415 176.600 -0.109 0.000 0.996 170 E CA 1.000 57.382 56.400 -0.030 0.000 0.832 170 E CB 0.034 29.722 29.700 -0.019 0.000 0.756 170 E HN 0.197 nan 8.360 nan 0.000 0.491 171 D N -0.337 120.065 120.400 0.003 0.000 2.340 171 D HA -0.046 4.628 4.640 0.057 0.000 0.220 171 D C 1.329 177.676 176.300 0.077 0.000 1.039 171 D CA 0.400 54.432 54.000 0.054 0.000 0.866 171 D CB -0.223 40.669 40.800 0.153 0.000 0.913 171 D HN 0.486 nan 8.370 nan 0.000 0.523 172 H N -0.218 118.901 119.070 0.082 0.000 2.394 172 H HA -0.106 4.488 4.556 0.063 0.000 0.297 172 H C 1.523 176.858 175.328 0.011 0.000 1.113 172 H CA 2.002 58.068 56.048 0.030 0.000 1.277 172 H CB -0.922 28.838 29.762 -0.002 0.000 1.370 172 H HN -0.103 nan 8.280 nan 0.000 0.506 173 T N -0.700 113.832 114.554 -0.037 0.000 2.896 173 T HA -0.106 4.279 4.350 0.057 0.000 0.263 173 T C 1.441 176.169 174.700 0.047 0.000 1.050 173 T CA 0.971 63.114 62.100 0.072 0.000 1.140 173 T CB -0.494 68.366 68.868 -0.013 0.000 0.877 173 T HN 0.534 nan 8.240 nan 0.000 0.457 174 W N 1.546 122.767 121.300 -0.132 0.000 2.388 174 W HA -0.016 4.677 4.660 0.056 0.000 0.294 174 W C 1.450 177.878 176.519 -0.152 0.000 1.212 174 W CA 0.460 57.716 57.345 -0.148 0.000 1.271 174 W CB -0.312 29.036 29.460 -0.186 0.000 1.126 174 W HN 0.057 nan 8.180 nan 0.000 0.535 175 L N 0.800 121.994 121.223 -0.049 0.000 2.093 175 L HA -0.131 4.243 4.340 0.057 0.000 0.208 175 L C 2.485 179.310 176.870 -0.075 0.000 1.085 175 L CA 1.847 56.628 54.840 -0.099 0.000 0.755 175 L CB -2.018 40.095 42.059 0.091 0.000 0.904 175 L HN 0.036 nan 8.230 nan 0.000 0.435 176 R N 0.697 121.150 120.500 -0.077 0.000 2.070 176 R HA -0.103 4.271 4.340 0.057 0.000 0.233 176 R C 2.230 178.504 176.300 -0.043 0.000 1.137 176 R CA 1.822 57.887 56.100 -0.059 0.000 0.945 176 R CB -0.798 29.468 30.300 -0.056 0.000 0.845 176 R HN 0.259 nan 8.270 nan 0.000 0.430 177 A N 1.114 123.856 122.820 -0.132 0.000 1.849 177 A HA -0.246 4.108 4.320 0.057 0.000 0.217 177 A C 2.007 179.474 177.584 -0.195 0.000 1.202 177 A CA 2.063 54.003 52.037 -0.161 0.000 0.629 177 A CB -0.983 17.884 19.000 -0.221 0.000 0.834 177 A HN 0.565 nan 8.150 nan 0.000 0.447 178 N N 0.173 118.622 118.700 -0.419 0.000 2.149 178 N HA -0.146 4.628 4.740 0.057 0.000 0.188 178 N C 1.936 177.499 175.510 0.089 0.000 1.019 178 N CA 1.458 54.270 53.050 -0.396 0.000 0.857 178 N CB -0.476 37.298 38.487 -1.187 0.000 0.997 178 N HN 0.523 nan 8.380 nan 0.000 0.426 179 A N 1.006 123.967 122.820 0.235 0.000 1.877 179 A HA -0.093 4.261 4.320 0.057 0.000 0.216 179 A C 2.531 180.243 177.584 0.213 0.000 1.186 179 A CA 1.349 53.581 52.037 0.326 0.000 0.620 179 A CB -0.778 18.442 19.000 0.367 0.000 0.822 179 A HN 0.113 nan 8.150 nan 0.000 0.443 180 V N -0.237 119.761 119.914 0.139 0.000 2.515 180 V HA -0.204 3.950 4.120 0.057 0.000 0.250 180 V C 2.972 179.109 176.094 0.071 0.000 1.058 180 V CA 1.775 64.136 62.300 0.101 0.000 1.064 180 V CB -1.166 30.695 31.823 0.063 0.000 0.675 180 V HN 0.623 nan 8.190 nan 0.000 0.461 181 A N 0.030 122.878 122.820 0.048 0.000 1.873 181 A HA -0.158 4.197 4.320 0.057 0.000 0.215 181 A C 2.196 179.817 177.584 0.063 0.000 1.186 181 A CA 1.893 53.946 52.037 0.026 0.000 0.616 181 A CB -0.522 18.466 19.000 -0.019 0.000 0.823 181 A HN 0.503 nan 8.150 nan 0.000 0.442 182 L N -0.746 120.559 121.223 0.137 0.000 2.083 182 L HA -0.192 4.182 4.340 0.057 0.000 0.209 182 L C 2.386 179.345 176.870 0.148 0.000 1.083 182 L CA 2.306 57.257 54.840 0.184 0.000 0.752 182 L CB -0.267 41.982 42.059 0.316 0.000 0.899 182 L HN 0.420 nan 8.230 nan 0.000 0.433 183 Q N 0.560 120.443 119.800 0.138 0.000 2.439 183 Q HA -0.221 4.153 4.340 0.057 0.000 0.211 183 Q C 1.733 177.750 176.000 0.029 0.000 0.978 183 Q CA 1.353 57.217 55.803 0.100 0.000 0.897 183 Q CB -0.266 28.552 28.738 0.135 0.000 0.956 183 Q HN 0.633 nan 8.270 nan 0.000 0.483 184 E N -1.417 118.787 120.200 0.007 0.000 2.516 184 E HA -0.016 4.368 4.350 0.057 0.000 0.199 184 E C 0.980 177.500 176.600 -0.133 0.000 1.069 184 E CA 0.519 56.881 56.400 -0.064 0.000 0.876 184 E CB 0.083 29.736 29.700 -0.079 0.000 0.843 184 E HN 0.457 nan 8.360 nan 0.000 0.530 185 A N 0.869 123.657 122.820 -0.053 0.000 2.220 185 A HA 0.047 4.401 4.320 0.057 0.000 0.211 185 A C 1.195 178.791 177.584 0.020 0.000 1.176 185 A CA -0.041 51.989 52.037 -0.010 0.000 0.834 185 A CB 0.097 19.177 19.000 0.133 0.000 0.868 185 A HN 0.225 nan 8.150 nan 0.000 0.488 186 S N 0.336 116.024 115.700 -0.020 0.000 2.563 186 S HA 0.105 4.609 4.470 0.057 0.000 0.284 186 S C 1.369 175.953 174.600 -0.026 0.000 1.331 186 S CA 0.597 58.778 58.200 -0.032 0.000 1.047 186 S CB 0.478 63.604 63.200 -0.123 0.000 0.859 186 S HN 0.786 nan 8.310 nan 0.000 0.514 187 T N -0.565 113.988 114.554 -0.001 0.000 2.897 187 T HA -0.160 4.224 4.350 0.057 0.000 0.271 187 T C 1.631 176.313 174.700 -0.030 0.000 1.084 187 T CA 1.668 63.771 62.100 0.006 0.000 1.123 187 T CB -1.540 67.343 68.868 0.026 0.000 0.865 187 T HN 0.918 nan 8.240 nan 0.000 0.496 188 T N -0.511 114.006 114.554 -0.061 0.000 3.088 188 T HA 0.185 4.569 4.350 0.057 0.000 0.259 188 T C 0.993 175.634 174.700 -0.098 0.000 1.122 188 T CA -0.459 61.580 62.100 -0.101 0.000 1.095 188 T CB -0.131 68.652 68.868 -0.142 0.000 0.930 188 T HN 0.373 nan 8.240 nan 0.000 0.508 189 R N 1.527 121.976 120.500 -0.083 0.000 2.543 189 R HA 0.769 5.143 4.340 0.057 0.000 0.268 189 R C 0.549 176.791 176.300 -0.097 0.000 1.067 189 R CA -0.410 55.638 56.100 -0.087 0.000 1.142 189 R CB 0.090 30.333 30.300 -0.096 0.000 1.110 189 R HN 0.264 nan 8.270 nan 0.000 0.549 190 A N 1.093 123.860 122.820 -0.088 0.000 2.387 190 A HA 0.160 4.515 4.320 0.057 0.000 0.251 190 A C 0.553 178.047 177.584 -0.151 0.000 1.113 190 A CA -0.067 51.919 52.037 -0.084 0.000 0.794 190 A CB 0.275 19.240 19.000 -0.058 0.000 1.069 190 A HN 0.797 nan 8.150 nan 0.000 0.506 191 R N -0.631 119.794 120.500 -0.126 0.000 2.538 191 R HA 0.192 4.566 4.340 0.057 0.000 0.372 191 R C -1.308 174.945 176.300 -0.078 0.000 0.950 191 R CA -0.378 55.612 56.100 -0.183 0.000 1.168 191 R CB 0.176 30.436 30.300 -0.066 0.000 1.542 191 R HN 0.559 nan 8.270 nan 0.000 0.536 192 D N 1.778 122.142 120.400 -0.060 0.000 2.313 192 D HA 0.364 5.038 4.640 0.057 0.000 0.239 192 D C 0.384 176.669 176.300 -0.025 0.000 1.142 192 D CA 0.897 54.881 54.000 -0.027 0.000 0.847 192 D CB 1.327 42.117 40.800 -0.017 0.000 1.082 192 D HN 0.340 nan 8.370 nan 0.000 0.480 193 G N 3.435 112.230 108.800 -0.009 0.000 3.000 193 G HA2 -0.254 3.741 3.960 0.057 0.000 0.686 193 G HA3 -0.254 3.741 3.960 0.057 0.000 0.686 193 G C 0.352 175.242 174.900 -0.015 0.000 1.114 193 G CA -0.097 45.000 45.100 -0.004 0.000 0.902 193 G HN 0.912 nan 8.290 nan 0.000 0.564 194 R N -0.124 120.374 120.500 -0.003 0.000 3.484 194 R HA -0.252 4.122 4.340 0.057 0.000 0.260 194 R C 1.360 177.633 176.300 -0.045 0.000 1.053 194 R CA 1.915 58.009 56.100 -0.010 0.000 0.703 194 R CB -2.219 28.073 30.300 -0.013 0.000 1.089 194 R HN 2.198 nan 8.270 nan 0.000 0.459 195 G N 1.257 110.024 108.800 -0.054 0.000 2.248 195 G HA2 -0.237 3.758 3.960 0.057 0.000 0.168 195 G HA3 -0.237 3.758 3.960 0.057 0.000 0.168 195 G C 0.691 175.445 174.900 -0.243 0.000 1.581 195 G CA 0.954 45.947 45.100 -0.179 0.000 0.954 195 G HN 0.402 nan 8.290 nan 0.000 0.385 196 Y N 1.650 121.888 120.300 -0.102 0.000 2.403 196 Y HA 0.042 4.627 4.550 0.057 0.000 0.291 196 Y C 3.082 178.813 175.900 -0.281 0.000 1.143 196 Y CA 0.801 58.731 58.100 -0.283 0.000 1.257 196 Y CB -0.751 37.341 38.460 -0.613 0.000 0.984 196 Y HN 0.349 nan 8.280 nan 0.000 0.550 197 A N 0.974 123.787 122.820 -0.011 0.000 1.893 197 A HA -0.387 3.968 4.320 0.057 0.000 0.222 197 A C 2.291 179.874 177.584 -0.002 0.000 1.309 197 A CA 2.813 54.865 52.037 0.025 0.000 0.681 197 A CB -0.909 18.119 19.000 0.047 0.000 0.842 197 A HN 0.485 nan 8.150 nan 0.000 0.468 198 R N -1.124 119.366 120.500 -0.016 0.000 2.115 198 R HA 0.009 4.383 4.340 0.057 0.000 0.230 198 R C 2.438 178.735 176.300 -0.006 0.000 1.111 198 R CA 1.080 57.173 56.100 -0.012 0.000 0.976 198 R CB -0.400 29.888 30.300 -0.020 0.000 0.870 198 R HN 0.577 nan 8.270 nan 0.000 0.445 199 A N 0.675 123.486 122.820 -0.015 0.000 2.015 199 A HA -0.172 4.182 4.320 0.057 0.000 0.219 199 A C 1.953 179.558 177.584 0.035 0.000 1.163 199 A CA 1.354 53.405 52.037 0.024 0.000 0.646 199 A CB -0.199 18.816 19.000 0.026 0.000 0.806 199 A HN 0.218 nan 8.150 nan 0.000 0.448 200 E N 0.525 120.717 120.200 -0.013 0.000 2.028 200 E HA -0.040 4.344 4.350 0.057 0.000 0.191 200 E C 2.035 178.673 176.600 0.064 0.000 0.988 200 E CA 1.647 58.058 56.400 0.017 0.000 0.799 200 E CB -0.505 29.208 29.700 0.022 0.000 0.755 200 E HN 0.422 nan 8.360 nan 0.000 0.447 201 A N 0.728 123.577 122.820 0.048 0.000 1.933 201 A HA -0.031 4.323 4.320 0.057 0.000 0.218 201 A C 2.406 180.010 177.584 0.032 0.000 1.175 201 A CA 2.014 54.078 52.037 0.045 0.000 0.628 201 A CB -0.950 18.067 19.000 0.027 0.000 0.814 201 A HN 0.384 nan 8.150 nan 0.000 0.444 202 A N -0.516 122.321 122.820 0.027 0.000 1.902 202 A HA -0.061 4.294 4.320 0.057 0.000 0.217 202 A C 2.441 180.123 177.584 0.164 0.000 1.181 202 A CA 2.011 54.050 52.037 0.003 0.000 0.623 202 A CB -0.877 18.167 19.000 0.074 0.000 0.818 202 A HN 0.446 nan 8.150 nan 0.000 0.443 203 S N -0.582 115.256 115.700 0.230 0.000 2.368 203 S HA -0.224 4.280 4.470 0.057 0.000 0.225 203 S C 2.123 176.888 174.600 0.274 0.000 1.030 203 S CA 1.595 59.978 58.200 0.305 0.000 0.999 203 S CB -0.315 63.001 63.200 0.193 0.000 0.844 203 S HN 0.684 nan 8.310 nan 0.000 0.459 204 Q N 0.505 120.411 119.800 0.178 0.000 2.084 204 Q HA -0.115 4.259 4.340 0.057 0.000 0.202 204 Q C 2.201 178.308 176.000 0.178 0.000 0.978 204 Q CA 1.122 57.022 55.803 0.161 0.000 0.844 204 Q CB -0.036 28.771 28.738 0.115 0.000 0.898 204 Q HN 0.557 nan 8.270 nan 0.000 0.426 205 E N -0.286 119.991 120.200 0.128 0.000 2.077 205 E HA -0.172 4.213 4.350 0.057 0.000 0.193 205 E C 1.784 178.523 176.600 0.231 0.000 0.989 205 E CA 0.848 57.335 56.400 0.145 0.000 0.800 205 E CB -0.124 29.604 29.700 0.046 0.000 0.746 205 E HN 0.327 nan 8.360 nan 0.000 0.452 206 F N 1.475 121.566 119.950 0.235 0.000 2.171 206 F HA -0.135 4.426 4.527 0.056 0.000 0.300 206 F C 2.637 178.693 175.800 0.427 0.000 1.090 206 F CA 1.250 59.432 58.000 0.302 0.000 1.293 206 F CB -0.778 38.435 39.000 0.355 0.000 1.013 206 F HN -0.045 nan 8.300 nan 0.000 0.486 207 T N -0.458 114.408 114.554 0.520 0.000 2.737 207 T HA -0.184 4.200 4.350 0.057 0.000 0.265 207 T C 2.211 177.110 174.700 0.333 0.000 1.038 207 T CA 1.229 63.573 62.100 0.407 0.000 1.144 207 T CB -0.225 68.810 68.868 0.279 0.000 0.866 207 T HN 0.154 nan 8.240 nan 0.000 0.434 208 R N -0.387 120.276 120.500 0.271 0.000 2.066 208 R HA -0.088 4.286 4.340 0.057 0.000 0.232 208 R C 2.349 178.761 176.300 0.188 0.000 1.131 208 R CA 1.246 57.461 56.100 0.192 0.000 0.955 208 R CB -0.529 29.859 30.300 0.148 0.000 0.851 208 R HN 0.475 nan 8.270 nan 0.000 0.432 209 Y N 0.404 120.754 120.300 0.083 0.000 2.081 209 Y HA -0.283 4.301 4.550 0.057 0.000 0.280 209 Y C 1.811 177.674 175.900 -0.062 0.000 1.163 209 Y CA 2.129 60.199 58.100 -0.050 0.000 1.135 209 Y CB -0.449 37.967 38.460 -0.072 0.000 0.970 209 Y HN 0.009 nan 8.280 nan 0.000 0.498 210 F N -0.163 120.026 119.950 0.398 0.000 2.259 210 F HA -0.026 4.535 4.527 0.055 0.000 0.298 210 F C 2.559 178.427 175.800 0.114 0.000 1.088 210 F CA 1.357 59.504 58.000 0.245 0.000 1.358 210 F CB -0.693 38.501 39.000 0.323 0.000 1.040 210 F HN -0.091 nan 8.300 nan 0.000 0.505 211 R N 0.053 120.722 120.500 0.282 0.000 2.096 211 R HA -0.169 4.205 4.340 0.057 0.000 0.235 211 R C 2.402 178.754 176.300 0.087 0.000 1.127 211 R CA 1.420 57.623 56.100 0.172 0.000 0.968 211 R CB -0.238 30.150 30.300 0.147 0.000 0.861 211 R HN 0.162 nan 8.270 nan 0.000 0.440 212 R N 0.640 121.156 120.500 0.027 0.000 2.073 212 R HA -0.154 4.220 4.340 0.057 0.000 0.234 212 R C 1.651 177.922 176.300 -0.048 0.000 1.134 212 R CA 1.642 57.717 56.100 -0.040 0.000 0.952 212 R CB -0.034 30.194 30.300 -0.121 0.000 0.850 212 R HN 0.120 nan 8.270 nan 0.000 0.433 213 E N 0.517 120.679 120.200 -0.064 0.000 2.021 213 E HA -0.212 4.172 4.350 0.057 0.000 0.200 213 E C 2.059 178.683 176.600 0.039 0.000 1.015 213 E CA 1.643 58.030 56.400 -0.022 0.000 0.824 213 E CB -0.977 28.760 29.700 0.061 0.000 0.762 213 E HN 0.335 nan 8.360 nan 0.000 0.454 214 V N 1.538 121.505 119.914 0.089 0.000 2.453 214 V HA -0.273 3.881 4.120 0.057 0.000 0.252 214 V C 1.639 177.760 176.094 0.046 0.000 1.068 214 V CA 2.692 65.037 62.300 0.075 0.000 1.070 214 V CB -0.457 31.422 31.823 0.094 0.000 0.664 214 V HN 0.090 nan 8.190 nan 0.000 0.461 215 D N -0.783 119.639 120.400 0.037 0.000 2.348 215 D HA -0.053 4.621 4.640 0.057 0.000 0.216 215 D C 2.081 178.387 176.300 0.010 0.000 0.970 215 D CA 0.362 54.376 54.000 0.023 0.000 0.889 215 D CB -0.085 40.726 40.800 0.019 0.000 0.912 215 D HN 0.243 nan 8.370 nan 0.000 0.524 216 R N 0.252 120.755 120.500 0.005 0.000 2.334 216 R HA 0.183 4.557 4.340 0.057 0.000 0.216 216 R C -0.246 176.056 176.300 0.004 0.000 0.905 216 R CA -0.049 56.048 56.100 -0.004 0.000 1.064 216 R CB 0.057 30.345 30.300 -0.019 0.000 1.046 216 R HN -0.055 nan 8.270 nan 0.000 0.508 217 R N -0.258 120.249 120.500 0.013 0.000 2.248 217 R HA 0.310 4.684 4.340 0.057 0.000 0.337 217 R C 0.180 176.486 176.300 0.010 0.000 1.085 217 R CA 0.413 56.521 56.100 0.014 0.000 0.934 217 R CB 0.536 30.849 30.300 0.022 0.000 1.034 217 R HN 0.280 nan 8.270 nan 0.000 0.465 218 G N 0.785 109.589 108.800 0.006 0.000 2.398 218 G HA2 0.095 4.089 3.960 0.057 0.000 0.221 218 G HA3 0.095 4.089 3.960 0.057 0.000 0.221 218 G C 0.128 175.029 174.900 0.002 0.000 1.112 218 G CA -0.313 44.789 45.100 0.004 0.000 0.823 218 G HN 0.807 nan 8.290 nan 0.000 0.487 219 G N -0.373 108.427 108.800 0.001 0.000 2.861 219 G HA2 0.514 4.508 3.960 0.057 0.000 0.160 219 G HA3 0.514 4.508 3.960 0.057 0.000 0.160 219 G C -0.473 174.426 174.900 -0.001 0.000 1.570 219 G CA 0.646 45.745 45.100 -0.002 0.000 0.925 219 G HN 0.335 nan 8.290 nan 0.000 0.754 220 D N 0.194 120.594 120.400 -0.000 0.000 2.449 220 D HA 0.643 5.317 4.640 0.057 0.000 0.250 220 D C -1.604 174.697 176.300 0.003 0.000 1.050 220 D CA -0.197 53.803 54.000 0.001 0.000 1.024 220 D CB 2.072 42.872 40.800 0.000 0.000 1.218 220 D HN 0.081 nan 8.370 nan 0.000 0.566 221 D N 0.135 120.536 120.400 0.002 0.000 2.548 221 D HA 0.254 4.928 4.640 0.057 0.000 0.214 221 D C -0.538 175.762 176.300 -0.001 0.000 1.345 221 D CA -0.585 53.416 54.000 0.001 0.000 0.945 221 D CB 1.102 41.902 40.800 -0.000 0.000 1.499 221 D HN 0.230 nan 8.370 nan 0.000 0.579 222 R N 0.830 121.329 120.500 -0.001 0.000 3.236 222 R HA 0.659 5.033 4.340 0.057 0.000 0.234 222 R C -0.870 175.425 176.300 -0.010 0.000 1.541 222 R CA -0.867 55.231 56.100 -0.004 0.000 1.038 222 R CB 0.581 30.881 30.300 0.000 0.000 1.587 222 R HN 0.069 nan 8.270 nan 0.000 0.515 223 D N 1.406 121.796 120.400 -0.016 0.000 2.233 223 D HA 0.394 5.069 4.640 0.057 0.000 0.240 223 D C -1.207 175.077 176.300 -0.027 0.000 1.074 223 D CA 0.377 54.360 54.000 -0.028 0.000 0.838 223 D CB 1.048 41.826 40.800 -0.038 0.000 1.124 223 D HN 0.468 nan 8.370 nan 0.000 0.475 224 D N 1.097 121.479 120.400 -0.029 0.000 2.687 224 D HA -0.028 4.646 4.640 0.057 0.000 0.213 224 D C 0.354 176.641 176.300 -0.022 0.000 1.218 224 D CA -0.664 53.323 54.000 -0.022 0.000 0.768 224 D CB 0.229 41.033 40.800 0.008 0.000 1.855 224 D HN -0.010 nan 8.370 nan 0.000 0.508 225 L N 1.175 122.377 121.223 -0.036 0.000 2.030 225 L HA -0.210 4.164 4.340 0.057 0.000 0.222 225 L C 2.107 178.979 176.870 0.004 0.000 1.082 225 L CA 1.652 56.473 54.840 -0.031 0.000 0.785 225 L CB -0.842 41.204 42.059 -0.022 0.000 0.895 225 L HN 0.697 nan 8.230 nan 0.000 0.439 226 L N -0.996 120.246 121.223 0.032 0.000 1.990 226 L HA -0.268 4.106 4.340 0.057 0.000 0.213 226 L C 2.455 179.345 176.870 0.033 0.000 1.072 226 L CA 2.378 57.248 54.840 0.050 0.000 0.755 226 L CB -1.683 40.430 42.059 0.090 0.000 0.889 226 L HN 0.347 nan 8.230 nan 0.000 0.432 227 T N 0.177 114.745 114.554 0.023 0.000 2.788 227 T HA -0.142 4.243 4.350 0.057 0.000 0.268 227 T C 1.937 176.640 174.700 0.006 0.000 1.044 227 T CA 0.661 62.769 62.100 0.014 0.000 1.139 227 T CB -0.165 68.708 68.868 0.008 0.000 0.867 227 T HN 0.152 nan 8.240 nan 0.000 0.454 228 L N 0.775 121.996 121.223 -0.004 0.000 2.017 228 L HA -0.061 4.313 4.340 0.057 0.000 0.208 228 L C 2.183 179.054 176.870 0.001 0.000 1.073 228 L CA 1.732 56.566 54.840 -0.011 0.000 0.745 228 L CB -0.933 41.108 42.059 -0.030 0.000 0.894 228 L HN 0.215 nan 8.230 nan 0.000 0.432 229 L N -0.280 120.948 121.223 0.008 0.000 1.976 229 L HA -0.169 4.205 4.340 0.057 0.000 0.209 229 L C 2.726 179.610 176.870 0.023 0.000 1.071 229 L CA 1.416 56.268 54.840 0.019 0.000 0.746 229 L CB -1.411 40.663 42.059 0.025 0.000 0.890 229 L HN 0.045 nan 8.230 nan 0.000 0.432 230 V N -0.308 119.622 119.914 0.026 0.000 2.568 230 V HA -0.254 3.901 4.120 0.057 0.000 0.253 230 V C 2.778 178.883 176.094 0.019 0.000 1.072 230 V CA 1.220 63.536 62.300 0.027 0.000 1.084 230 V CB -0.697 31.145 31.823 0.030 0.000 0.676 230 V HN 0.414 nan 8.190 nan 0.000 0.469 231 R N 0.010 120.518 120.500 0.014 0.000 2.073 231 R HA -0.050 4.325 4.340 0.057 0.000 0.229 231 R C 2.362 178.668 176.300 0.009 0.000 1.120 231 R CA 1.556 57.662 56.100 0.009 0.000 0.967 231 R CB -0.677 29.625 30.300 0.003 0.000 0.862 231 R HN 0.512 nan 8.270 nan 0.000 0.436 232 A N 1.288 124.115 122.820 0.011 0.000 1.841 232 A HA -0.250 4.104 4.320 0.057 0.000 0.216 232 A C 2.233 179.825 177.584 0.013 0.000 1.199 232 A CA 1.939 53.983 52.037 0.011 0.000 0.621 232 A CB -0.749 18.261 19.000 0.016 0.000 0.835 232 A HN 0.396 nan 8.150 nan 0.000 0.445 233 R N -0.347 120.164 120.500 0.018 0.000 2.140 233 R HA -0.234 4.140 4.340 0.057 0.000 0.250 233 R C 1.105 177.413 176.300 0.013 0.000 1.150 233 R CA 2.294 58.404 56.100 0.018 0.000 0.966 233 R CB -0.536 29.778 30.300 0.024 0.000 0.869 233 R HN 0.486 nan 8.270 nan 0.000 0.445 234 D N -0.613 119.795 120.400 0.013 0.000 2.348 234 D HA -0.062 4.612 4.640 0.057 0.000 0.216 234 D C 0.698 177.002 176.300 0.007 0.000 0.970 234 D CA 1.487 55.493 54.000 0.010 0.000 0.889 234 D CB 0.381 41.187 40.800 0.010 0.000 0.912 234 D HN 0.465 nan 8.370 nan 0.000 0.524 235 T N -2.952 111.606 114.554 0.006 0.000 3.393 235 T HA 0.471 4.855 4.350 0.057 0.000 0.255 235 T C 0.976 175.679 174.700 0.004 0.000 1.008 235 T CA -0.198 61.905 62.100 0.004 0.000 1.053 235 T CB 0.182 69.052 68.868 0.003 0.000 1.120 235 T HN 0.100 nan 8.240 nan 0.000 0.538 236 G N 0.845 109.648 108.800 0.004 0.000 2.272 236 G HA2 -0.201 3.793 3.960 0.057 0.000 0.280 236 G HA3 -0.201 3.793 3.960 0.057 0.000 0.280 236 G C -0.046 174.857 174.900 0.004 0.000 1.067 236 G CA 0.024 45.126 45.100 0.003 0.000 0.902 236 G HN 0.796 nan 8.290 nan 0.000 0.500 237 S N 0.717 116.421 115.700 0.006 0.000 2.501 237 S HA 0.682 5.186 4.470 0.057 0.000 0.301 237 S C -1.867 172.737 174.600 0.006 0.000 1.096 237 S CA -0.994 57.210 58.200 0.008 0.000 1.063 237 S CB 2.252 65.460 63.200 0.013 0.000 1.042 237 S HN 0.275 nan 8.310 nan 0.000 0.494 238 P HA 0.276 nan 4.420 nan 0.000 0.238 238 P C -1.087 176.207 177.300 -0.010 0.000 1.794 238 P CA -0.172 62.921 63.100 -0.011 0.000 1.088 238 P CB -0.618 31.066 31.700 -0.027 0.000 1.923 239 L N 0.555 121.784 121.223 0.009 0.000 2.472 239 L HA 0.687 5.061 4.340 0.057 0.000 0.260 239 L C -0.324 176.565 176.870 0.032 0.000 0.963 239 L CA -0.565 54.291 54.840 0.026 0.000 0.829 239 L CB 2.280 44.370 42.059 0.051 0.000 1.348 239 L HN 0.056 nan 8.230 nan 0.000 0.408 240 S N 1.919 117.643 115.700 0.040 0.000 2.707 240 S HA 0.469 4.973 4.470 0.057 0.000 0.276 240 S C 1.272 175.908 174.600 0.059 0.000 1.179 240 S CA -0.173 58.053 58.200 0.043 0.000 0.992 240 S CB 1.438 64.662 63.200 0.040 0.000 1.030 240 S HN 1.406 nan 8.310 nan 0.000 0.554 241 V N -1.549 118.402 119.914 0.062 0.000 2.427 241 V HA -0.069 4.086 4.120 0.057 0.000 0.248 241 V C 1.515 177.665 176.094 0.093 0.000 1.051 241 V CA 1.852 64.199 62.300 0.078 0.000 1.048 241 V CB -1.206 30.664 31.823 0.078 0.000 0.666 241 V HN 0.754 nan 8.190 nan 0.000 0.456 242 D N 1.658 122.109 120.400 0.085 0.000 2.218 242 D HA -0.032 4.642 4.640 0.057 0.000 0.204 242 D C 2.173 178.535 176.300 0.102 0.000 0.976 242 D CA 1.714 55.770 54.000 0.093 0.000 0.853 242 D CB -0.447 40.396 40.800 0.072 0.000 0.939 242 D HN 0.606 nan 8.370 nan 0.000 0.481 243 G N 0.492 109.350 108.800 0.098 0.000 2.396 243 G HA2 -0.100 3.894 3.960 0.057 0.000 0.214 243 G HA3 -0.100 3.894 3.960 0.057 0.000 0.214 243 G C 1.759 176.722 174.900 0.107 0.000 1.166 243 G CA 0.009 45.179 45.100 0.118 0.000 0.793 243 G HN 0.240 nan 8.290 nan 0.000 0.533 244 I N 0.383 121.004 120.570 0.085 0.000 2.286 244 I HA -0.103 4.101 4.170 0.057 0.000 0.245 244 I C 2.725 178.861 176.117 0.031 0.000 1.104 244 I CA 0.328 61.664 61.300 0.059 0.000 1.397 244 I CB -0.227 37.810 38.000 0.061 0.000 1.072 244 I HN -0.006 nan 8.210 nan 0.000 0.417 245 V N 1.200 121.161 119.914 0.078 0.000 2.295 245 V HA -0.223 3.931 4.120 0.057 0.000 0.246 245 V C 2.582 178.712 176.094 0.060 0.000 1.049 245 V CA 2.320 64.678 62.300 0.097 0.000 1.024 245 V CB -1.240 30.709 31.823 0.209 0.000 0.648 245 V HN 0.568 nan 8.190 nan 0.000 0.447 246 G N -0.831 108.049 108.800 0.135 0.000 2.402 246 G HA2 -0.218 3.776 3.960 0.057 0.000 0.216 246 G HA3 -0.218 3.776 3.960 0.057 0.000 0.216 246 G C 1.675 176.708 174.900 0.222 0.000 1.162 246 G CA 1.405 46.650 45.100 0.242 0.000 0.777 246 G HN 0.472 nan 8.290 nan 0.000 0.539 247 T N 0.334 114.962 114.554 0.123 0.000 2.788 247 T HA -0.178 4.206 4.350 0.057 0.000 0.268 247 T C 2.439 177.098 174.700 -0.067 0.000 1.044 247 T CA 1.274 63.424 62.100 0.085 0.000 1.139 247 T CB -0.449 68.462 68.868 0.071 0.000 0.867 247 T HN 0.350 nan 8.240 nan 0.000 0.454 248 C N 0.860 120.014 119.300 -0.245 0.000 2.453 248 C HA 0.009 4.503 4.460 0.057 0.000 0.277 248 C C 2.870 177.531 174.990 -0.548 0.000 1.262 248 C CA 0.111 58.788 59.018 -0.569 0.000 1.718 248 C CB -1.120 25.829 27.740 -1.318 0.000 2.031 248 C HN 0.366 nan 8.230 nan 0.000 0.480 249 V N 0.101 119.765 119.914 -0.417 0.000 2.295 249 V HA -0.275 3.879 4.120 0.057 0.000 0.246 249 V C 2.391 178.306 176.094 -0.298 0.000 1.049 249 V CA 2.350 64.490 62.300 -0.268 0.000 1.024 249 V CB -1.069 30.755 31.823 0.001 0.000 0.648 249 V HN 0.678 nan 8.190 nan 0.000 0.447 250 H N -0.741 118.036 119.070 -0.489 0.000 2.352 250 H HA -0.182 4.409 4.556 0.059 0.000 0.299 250 H C 2.199 177.204 175.328 -0.537 0.000 1.097 250 H CA 1.697 57.208 56.048 -0.895 0.000 1.311 250 H CB 0.228 29.547 29.762 -0.737 0.000 1.377 250 H HN 0.273 nan 8.280 nan 0.000 0.504 251 L N 0.264 121.273 121.223 -0.358 0.000 2.109 251 L HA -0.120 4.254 4.340 0.057 0.000 0.207 251 L C 2.578 179.323 176.870 -0.208 0.000 1.086 251 L CA 0.766 55.418 54.840 -0.313 0.000 0.760 251 L CB -0.758 41.222 42.059 -0.131 0.000 0.910 251 L HN 0.282 nan 8.230 nan 0.000 0.437 252 L N -0.889 120.249 121.223 -0.142 0.000 2.046 252 L HA -0.199 4.175 4.340 0.057 0.000 0.208 252 L C 2.547 179.417 176.870 -0.000 0.000 1.077 252 L CA 2.381 57.215 54.840 -0.010 0.000 0.747 252 L CB -0.795 41.298 42.059 0.057 0.000 0.896 252 L HN 0.524 nan 8.230 nan 0.000 0.432 253 T N -3.005 111.457 114.554 -0.153 0.000 2.735 253 T HA -0.010 4.374 4.350 0.057 0.000 0.256 253 T C 1.945 176.470 174.700 -0.292 0.000 1.042 253 T CA 0.784 62.778 62.100 -0.176 0.000 1.147 253 T CB -1.092 67.657 68.868 -0.199 0.000 0.865 253 T HN 0.314 nan 8.240 nan 0.000 0.421 254 A N 1.821 124.424 122.820 -0.361 0.000 2.024 254 A HA 0.192 4.547 4.320 0.057 0.000 0.220 254 A C 2.619 179.995 177.584 -0.346 0.000 1.164 254 A CA 1.662 53.462 52.037 -0.395 0.000 0.643 254 A CB -1.575 17.076 19.000 -0.581 0.000 0.806 254 A HN 0.654 nan 8.150 nan 0.000 0.451 255 G N -1.620 107.024 108.800 -0.261 0.000 2.534 255 G HA2 -0.060 3.935 3.960 0.057 0.000 0.217 255 G HA3 -0.060 3.935 3.960 0.057 0.000 0.217 255 G C 1.244 176.103 174.900 -0.068 0.000 1.128 255 G CA 1.393 46.399 45.100 -0.157 0.000 0.784 255 G HN 0.895 nan 8.290 nan 0.000 0.542 256 H N -1.781 117.185 119.070 -0.174 0.000 2.627 256 H HA 0.196 4.784 4.556 0.054 0.000 0.211 256 H C 1.674 176.887 175.328 -0.192 0.000 0.873 256 H CA 0.498 56.455 56.048 -0.151 0.000 0.969 256 H CB -0.285 29.417 29.762 -0.101 0.000 1.328 256 H HN 0.331 nan 8.280 nan 0.000 0.423 257 E N 1.395 120.862 120.200 -1.220 0.000 2.233 257 E HA -0.145 4.239 4.350 0.057 0.000 0.199 257 E C 1.867 178.069 176.600 -0.664 0.000 1.004 257 E CA 2.415 58.261 56.400 -0.924 0.000 0.819 257 E CB 0.116 29.314 29.700 -0.837 0.000 0.738 257 E HN 0.724 nan 8.360 nan 0.000 0.478 258 T N -2.038 112.138 114.554 -0.629 0.000 2.937 258 T HA -0.029 4.355 4.350 0.057 0.000 0.260 258 T C 2.096 176.682 174.700 -0.191 0.000 1.051 258 T CA 1.085 62.917 62.100 -0.446 0.000 1.141 258 T CB -0.336 68.286 68.868 -0.411 0.000 0.879 258 T HN -0.049 nan 8.240 nan 0.000 0.459 259 T N 2.356 116.821 114.554 -0.149 0.000 2.821 259 T HA -0.081 4.303 4.350 0.057 0.000 0.267 259 T C 2.206 176.942 174.700 0.060 0.000 1.046 259 T CA 1.786 63.875 62.100 -0.019 0.000 1.139 259 T CB -0.819 68.030 68.868 -0.030 0.000 0.871 259 T HN 0.492 nan 8.240 nan 0.000 0.454 260 T N 2.702 117.253 114.554 -0.005 0.000 2.674 260 T HA -0.110 4.274 4.350 0.057 0.000 0.265 260 T C 2.017 176.711 174.700 -0.009 0.000 1.039 260 T CA 1.091 63.199 62.100 0.014 0.000 1.150 260 T CB -0.420 68.473 68.868 0.042 0.000 0.864 260 T HN 0.304 nan 8.240 nan 0.000 0.427 261 N N 0.816 119.480 118.700 -0.060 0.000 2.289 261 N HA -0.045 4.729 4.740 0.057 0.000 0.184 261 N C 1.498 176.996 175.510 -0.021 0.000 1.016 261 N CA 0.742 53.746 53.050 -0.078 0.000 0.872 261 N CB -0.476 37.949 38.487 -0.102 0.000 0.973 261 N HN 0.433 nan 8.380 nan 0.000 0.433 262 F N 1.368 121.264 119.950 -0.090 0.000 2.128 262 F HA 0.048 4.593 4.527 0.030 0.000 0.295 262 F C 2.071 177.854 175.800 -0.027 0.000 1.100 262 F CA 0.764 58.729 58.000 -0.059 0.000 1.260 262 F CB -0.429 38.523 39.000 -0.080 0.000 1.009 262 F HN -0.117 nan 8.300 nan 0.000 0.476 263 L N 0.372 121.573 121.223 -0.037 0.000 2.012 263 L HA -0.251 4.123 4.340 0.057 0.000 0.210 263 L C 2.861 179.633 176.870 -0.163 0.000 1.073 263 L CA 1.441 56.226 54.840 -0.093 0.000 0.748 263 L CB -1.189 40.963 42.059 0.155 0.000 0.891 263 L HN 0.329 nan 8.230 nan 0.000 0.431 264 A N -0.074 122.679 122.820 -0.110 0.000 1.858 264 A HA -0.229 4.125 4.320 0.057 0.000 0.216 264 A C 2.256 179.731 177.584 -0.182 0.000 1.190 264 A CA 1.755 53.712 52.037 -0.133 0.000 0.617 264 A CB -0.427 18.488 19.000 -0.142 0.000 0.827 264 A HN 0.323 nan 8.150 nan 0.000 0.443 265 K N -0.269 120.016 120.400 -0.191 0.000 2.362 265 K HA 0.028 4.383 4.320 0.057 0.000 0.200 265 K C 2.017 178.519 176.600 -0.164 0.000 1.046 265 K CA 0.742 56.957 56.287 -0.121 0.000 0.952 265 K CB -0.225 32.261 32.500 -0.024 0.000 0.753 265 K HN 0.474 nan 8.250 nan 0.000 0.466 266 A N 0.842 123.455 122.820 -0.344 0.000 1.968 266 A HA -0.053 4.301 4.320 0.057 0.000 0.217 266 A C 2.258 179.714 177.584 -0.214 0.000 1.169 266 A CA 0.850 52.655 52.037 -0.387 0.000 0.638 266 A CB -0.196 18.408 19.000 -0.660 0.000 0.812 266 A HN 0.043 nan 8.150 nan 0.000 0.446 267 V N 0.147 119.951 119.914 -0.184 0.000 2.379 267 V HA -0.147 4.007 4.120 0.057 0.000 0.245 267 V C 2.435 178.457 176.094 -0.119 0.000 1.044 267 V CA 1.270 63.483 62.300 -0.145 0.000 1.036 267 V CB -0.564 31.165 31.823 -0.157 0.000 0.664 267 V HN 0.447 nan 8.190 nan 0.000 0.453 268 L N -0.020 121.136 121.223 -0.112 0.000 2.083 268 L HA -0.140 4.234 4.340 0.057 0.000 0.209 268 L C 2.549 179.458 176.870 0.065 0.000 1.083 268 L CA 2.199 57.010 54.840 -0.048 0.000 0.752 268 L CB -2.055 40.023 42.059 0.032 0.000 0.899 268 L HN 0.376 nan 8.230 nan 0.000 0.433 269 T N 0.009 114.598 114.554 0.057 0.000 2.737 269 T HA -0.125 4.259 4.350 0.057 0.000 0.265 269 T C 1.985 176.731 174.700 0.077 0.000 1.038 269 T CA 0.820 62.971 62.100 0.085 0.000 1.144 269 T CB -0.118 68.723 68.868 -0.045 0.000 0.866 269 T HN 0.028 nan 8.240 nan 0.000 0.434 270 L N 1.214 122.426 121.223 -0.018 0.000 2.083 270 L HA 0.042 4.416 4.340 0.057 0.000 0.209 270 L C 2.454 179.347 176.870 0.038 0.000 1.083 270 L CA 1.544 56.379 54.840 -0.008 0.000 0.752 270 L CB -0.865 41.163 42.059 -0.053 0.000 0.899 270 L HN 0.194 nan 8.230 nan 0.000 0.433 271 R N -0.939 119.581 120.500 0.034 0.000 2.148 271 R HA -0.021 4.354 4.340 0.057 0.000 0.227 271 R C 1.836 178.169 176.300 0.054 0.000 1.103 271 R CA 1.021 57.151 56.100 0.051 0.000 0.983 271 R CB -0.324 30.024 30.300 0.081 0.000 0.874 271 R HN 0.317 nan 8.270 nan 0.000 0.451 272 A N 0.166 123.027 122.820 0.069 0.000 2.275 272 A HA 0.029 4.383 4.320 0.057 0.000 0.212 272 A C 0.039 177.411 177.584 -0.353 0.000 1.201 272 A CA 0.230 52.237 52.037 -0.050 0.000 0.843 272 A CB 0.154 19.178 19.000 0.039 0.000 0.873 272 A HN 0.271 nan 8.150 nan 0.000 0.492 273 H N -0.611 118.437 119.070 -0.036 0.000 2.597 273 H HA 0.195 4.784 4.556 0.056 0.000 0.225 273 H C 0.398 175.697 175.328 -0.049 0.000 1.422 273 H CA -0.566 55.447 56.048 -0.059 0.000 1.335 273 H CB 0.404 30.091 29.762 -0.125 0.000 1.783 273 H HN 0.216 nan 8.280 nan 0.000 0.513 274 R N 1.069 121.579 120.500 0.018 0.000 2.139 274 R HA -0.132 4.243 4.340 0.057 0.000 0.243 274 R C 1.575 177.884 176.300 0.015 0.000 1.145 274 R CA 1.481 57.589 56.100 0.012 0.000 0.976 274 R CB -0.224 30.075 30.300 -0.002 0.000 0.866 274 R HN 0.675 nan 8.270 nan 0.000 0.449 275 D N -0.018 120.395 120.400 0.022 0.000 2.149 275 D HA -0.118 4.556 4.640 0.057 0.000 0.198 275 D C 1.794 178.105 176.300 0.017 0.000 0.990 275 D CA 1.119 55.132 54.000 0.021 0.000 0.839 275 D CB -0.442 40.375 40.800 0.028 0.000 0.948 275 D HN 0.083 nan 8.370 nan 0.000 0.460 276 V N 1.294 121.220 119.914 0.019 0.000 2.323 276 V HA -0.151 4.003 4.120 0.057 0.000 0.244 276 V C 2.813 178.895 176.094 -0.020 0.000 1.041 276 V CA 1.137 63.430 62.300 -0.012 0.000 1.025 276 V CB -0.719 31.074 31.823 -0.050 0.000 0.656 276 V HN 0.157 nan 8.190 nan 0.000 0.451 277 L N 0.196 121.411 121.223 -0.012 0.000 2.079 277 L HA -0.238 4.136 4.340 0.057 0.000 0.210 277 L C 2.097 178.958 176.870 -0.015 0.000 1.081 277 L CA 1.996 56.824 54.840 -0.020 0.000 0.752 277 L CB -0.448 41.603 42.059 -0.014 0.000 0.896 277 L HN 0.340 nan 8.230 nan 0.000 0.433 278 D N -0.546 119.850 120.400 -0.007 0.000 2.312 278 D HA -0.142 4.532 4.640 0.057 0.000 0.211 278 D C 2.057 178.355 176.300 -0.004 0.000 0.964 278 D CA 0.556 54.553 54.000 -0.005 0.000 0.877 278 D CB 0.077 40.877 40.800 -0.000 0.000 0.924 278 D HN 0.433 nan 8.370 nan 0.000 0.515 279 E N 0.109 120.307 120.200 -0.005 0.000 2.051 279 E HA -0.057 4.327 4.350 0.057 0.000 0.189 279 E C 2.122 178.717 176.600 -0.009 0.000 0.979 279 E CA 0.236 56.634 56.400 -0.003 0.000 0.803 279 E CB 0.051 29.749 29.700 -0.004 0.000 0.761 279 E HN 0.167 nan 8.360 nan 0.000 0.451 280 L N 1.127 122.339 121.223 -0.018 0.000 2.042 280 L HA -0.193 4.181 4.340 0.057 0.000 0.210 280 L C 2.479 179.342 176.870 -0.012 0.000 1.076 280 L CA 1.545 56.375 54.840 -0.018 0.000 0.749 280 L CB -0.551 41.494 42.059 -0.024 0.000 0.893 280 L HN 0.019 nan 8.230 nan 0.000 0.432 281 R N -0.886 119.607 120.500 -0.013 0.000 2.091 281 R HA -0.152 4.222 4.340 0.057 0.000 0.238 281 R C 2.185 178.482 176.300 -0.006 0.000 1.136 281 R CA 1.935 58.028 56.100 -0.011 0.000 0.959 281 R CB -0.884 29.409 30.300 -0.013 0.000 0.856 281 R HN 0.600 nan 8.270 nan 0.000 0.437 282 T N -2.758 111.794 114.554 -0.003 0.000 2.978 282 T HA 0.008 4.392 4.350 0.057 0.000 0.262 282 T C 0.973 175.675 174.700 0.003 0.000 1.063 282 T CA 0.604 62.704 62.100 0.001 0.000 1.140 282 T CB 0.211 69.081 68.868 0.003 0.000 0.886 282 T HN -0.015 nan 8.240 nan 0.000 0.470 283 T N 3.172 117.727 114.554 0.002 0.000 3.155 283 T HA 0.400 4.784 4.350 0.057 0.000 0.384 283 T C -2.238 172.463 174.700 0.002 0.000 1.351 283 T CA -1.168 60.935 62.100 0.004 0.000 1.198 283 T CB 1.596 70.469 68.868 0.008 0.000 1.106 283 T HN 0.001 nan 8.240 nan 0.000 0.564 284 P HA -0.185 nan 4.420 nan 0.000 0.216 284 P C 1.598 178.902 177.300 0.007 0.000 1.154 284 P CA 1.093 64.196 63.100 0.005 0.000 0.865 284 P CB 0.206 31.911 31.700 0.007 0.000 0.789 285 E N -0.730 119.474 120.200 0.008 0.000 2.409 285 E HA -0.071 4.313 4.350 0.057 0.000 0.198 285 E C 1.551 178.153 176.600 0.004 0.000 1.024 285 E CA 0.892 57.297 56.400 0.009 0.000 0.861 285 E CB -0.837 28.870 29.700 0.012 0.000 0.788 285 E HN 0.283 nan 8.360 nan 0.000 0.521 286 S N 0.964 116.661 115.700 -0.004 0.000 2.481 286 S HA -0.055 4.449 4.470 0.057 0.000 0.231 286 S C 1.905 176.493 174.600 -0.020 0.000 0.996 286 S CA 0.897 59.084 58.200 -0.022 0.000 0.942 286 S CB -0.163 63.015 63.200 -0.036 0.000 0.768 286 S HN 0.315 nan 8.310 nan 0.000 0.520 287 T N 3.145 117.698 114.554 -0.003 0.000 2.624 287 T HA -0.133 4.251 4.350 0.057 0.000 0.268 287 T C -0.581 174.131 174.700 0.020 0.000 1.041 287 T CA 1.717 63.823 62.100 0.011 0.000 1.159 287 T CB -1.681 67.201 68.868 0.023 0.000 0.863 287 T HN 0.365 nan 8.240 nan 0.000 0.434 288 P HA -0.069 nan 4.420 nan 0.000 0.215 288 P C 1.582 178.893 177.300 0.018 0.000 1.157 288 P CA 1.526 64.640 63.100 0.025 0.000 0.874 288 P CB -0.256 31.457 31.700 0.021 0.000 0.790 289 A N -0.214 122.604 122.820 -0.003 0.000 1.902 289 A HA -0.113 4.241 4.320 0.057 0.000 0.217 289 A C 2.335 179.899 177.584 -0.034 0.000 1.181 289 A CA 2.155 54.178 52.037 -0.024 0.000 0.623 289 A CB -1.637 17.325 19.000 -0.063 0.000 0.818 289 A HN 0.194 nan 8.150 nan 0.000 0.443 290 A N -0.573 122.225 122.820 -0.038 0.000 1.902 290 A HA -0.016 4.338 4.320 0.057 0.000 0.217 290 A C 2.197 179.789 177.584 0.013 0.000 1.181 290 A CA 1.738 53.750 52.037 -0.041 0.000 0.623 290 A CB -1.003 17.972 19.000 -0.042 0.000 0.818 290 A HN 0.410 nan 8.150 nan 0.000 0.443 291 V N 0.165 120.117 119.914 0.063 0.000 2.469 291 V HA -0.272 3.882 4.120 0.057 0.000 0.251 291 V C 2.597 178.753 176.094 0.103 0.000 1.064 291 V CA 2.503 64.892 62.300 0.149 0.000 1.066 291 V CB -0.690 31.207 31.823 0.123 0.000 0.667 291 V HN 0.741 nan 8.190 nan 0.000 0.461 292 E N 0.179 120.407 120.200 0.047 0.000 2.051 292 E HA -0.206 4.178 4.350 0.057 0.000 0.192 292 E C 2.251 178.855 176.600 0.008 0.000 0.991 292 E CA 1.376 57.794 56.400 0.029 0.000 0.799 292 E CB -0.226 29.493 29.700 0.032 0.000 0.748 292 E HN 0.463 nan 8.360 nan 0.000 0.449 293 E N 0.168 120.361 120.200 -0.012 0.000 2.047 293 E HA -0.117 4.268 4.350 0.057 0.000 0.191 293 E C 2.261 178.852 176.600 -0.015 0.000 0.987 293 E CA 0.807 57.179 56.400 -0.046 0.000 0.799 293 E CB -0.312 29.334 29.700 -0.089 0.000 0.752 293 E HN 0.349 nan 8.360 nan 0.000 0.449 294 L N -0.097 121.134 121.223 0.013 0.000 2.127 294 L HA -0.194 4.180 4.340 0.057 0.000 0.211 294 L C 2.643 179.615 176.870 0.170 0.000 1.089 294 L CA 0.988 55.855 54.840 0.044 0.000 0.757 294 L CB -0.318 41.758 42.059 0.029 0.000 0.899 294 L HN 0.173 nan 8.230 nan 0.000 0.434 295 M N 0.101 119.820 119.600 0.198 0.000 2.123 295 M HA -0.173 4.341 4.480 0.057 0.000 0.263 295 M C 2.412 178.715 176.300 0.006 0.000 1.069 295 M CA 1.689 57.065 55.300 0.127 0.000 1.133 295 M CB -0.029 32.529 32.600 -0.069 0.000 1.356 295 M HN 0.131 nan 8.290 nan 0.000 0.415 296 R N -1.434 119.034 120.500 -0.054 0.000 2.090 296 R HA -0.142 4.232 4.340 0.057 0.000 0.228 296 R C 2.074 178.288 176.300 -0.144 0.000 1.110 296 R CA 1.687 57.698 56.100 -0.149 0.000 0.973 296 R CB -1.689 28.402 30.300 -0.347 0.000 0.869 296 R HN 0.401 nan 8.270 nan 0.000 0.440 297 Y N 1.076 121.243 120.300 -0.222 0.000 2.102 297 Y HA -0.245 4.341 4.550 0.059 0.000 0.280 297 Y C 0.323 176.089 175.900 -0.223 0.000 1.178 297 Y CA 2.313 60.264 58.100 -0.249 0.000 1.146 297 Y CB 0.103 38.436 38.460 -0.212 0.000 0.968 297 Y HN 0.236 nan 8.280 nan 0.000 0.504 298 D N -0.104 120.342 120.400 0.076 0.000 2.846 298 D HA 0.201 4.875 4.640 0.057 0.000 0.279 298 D C -2.979 173.459 176.300 0.229 0.000 1.222 298 D CA -1.965 52.147 54.000 0.187 0.000 0.769 298 D CB 0.540 41.533 40.800 0.322 0.000 1.299 298 D HN 0.008 nan 8.370 nan 0.000 0.537 299 P HA 0.109 nan 4.420 nan 0.000 0.266 299 P C -2.095 175.307 177.300 0.170 0.000 1.195 299 P CA -0.868 62.302 63.100 0.117 0.000 0.768 299 P CB 1.091 32.812 31.700 0.035 0.000 0.838 300 P HA -0.031 nan 4.420 nan 0.000 0.225 300 P C 0.082 177.450 177.300 0.113 0.000 1.156 300 P CA 0.981 64.147 63.100 0.109 0.000 0.787 300 P CB 0.270 31.980 31.700 0.016 0.000 0.802 301 V N 1.676 121.634 119.914 0.073 0.000 2.293 301 V HA 0.134 4.288 4.120 0.057 0.000 0.275 301 V C 1.121 177.256 176.094 0.069 0.000 1.021 301 V CA -0.173 62.192 62.300 0.108 0.000 0.815 301 V CB 1.148 33.013 31.823 0.070 0.000 1.025 301 V HN -0.013 nan 8.190 nan 0.000 0.448 302 Q N 2.902 122.745 119.800 0.073 0.000 2.331 302 Q HA 0.289 4.663 4.340 0.057 0.000 0.203 302 Q C 0.702 176.669 176.000 -0.055 0.000 0.944 302 Q CA 0.722 56.517 55.803 -0.012 0.000 0.892 302 Q CB 0.954 29.658 28.738 -0.057 0.000 0.983 302 Q HN 0.823 nan 8.270 nan 0.000 0.482 303 A N 0.387 123.197 122.820 -0.018 0.000 2.488 303 A HA 0.571 4.925 4.320 0.057 0.000 0.295 303 A C -0.780 176.793 177.584 -0.019 0.000 1.045 303 A CA -0.678 51.335 52.037 -0.040 0.000 0.703 303 A CB 1.481 20.459 19.000 -0.037 0.000 1.271 303 A HN -0.009 nan 8.150 nan 0.000 0.400 304 V N -0.283 119.607 119.914 -0.041 0.000 2.823 304 V HA 0.975 5.129 4.120 0.057 0.000 0.312 304 V C -0.148 175.908 176.094 -0.063 0.000 1.072 304 V CA -0.086 62.195 62.300 -0.032 0.000 0.937 304 V CB 1.469 33.270 31.823 -0.036 0.000 1.013 304 V HN 1.476 nan 8.190 nan 0.000 0.430 305 T N 1.505 116.036 114.554 -0.038 0.000 2.885 305 T HA 0.833 5.218 4.350 0.057 0.000 0.285 305 T C -0.489 174.166 174.700 -0.074 0.000 1.019 305 T CA -0.879 61.158 62.100 -0.105 0.000 1.010 305 T CB 2.175 70.977 68.868 -0.110 0.000 1.022 305 T HN 0.887 nan 8.240 nan 0.000 0.466 306 R N 0.977 121.364 120.500 -0.187 0.000 2.888 306 R HA 0.533 4.907 4.340 0.057 0.000 0.264 306 R C -1.672 174.477 176.300 -0.251 0.000 1.045 306 R CA -0.688 55.353 56.100 -0.099 0.000 0.962 306 R CB 1.750 31.980 30.300 -0.116 0.000 1.210 306 R HN 0.754 nan 8.270 nan 0.000 0.479 307 W N -0.179 121.049 121.300 -0.121 0.000 2.739 307 W HA 0.581 5.275 4.660 0.056 0.000 0.331 307 W C -0.177 176.277 176.519 -0.109 0.000 1.049 307 W CA -0.586 56.732 57.345 -0.044 0.000 1.234 307 W CB 1.768 31.293 29.460 0.108 0.000 1.404 307 W HN 0.669 nan 8.180 nan 0.000 0.477 308 A N 2.827 125.752 122.820 0.175 0.000 2.491 308 A HA 0.201 4.555 4.320 0.057 0.000 0.261 308 A C -0.321 177.484 177.584 0.369 0.000 1.101 308 A CA 0.139 52.253 52.037 0.128 0.000 0.772 308 A CB 0.131 19.165 19.000 0.057 0.000 1.043 308 A HN 0.721 nan 8.150 nan 0.000 0.501 309 Y N 1.024 121.369 120.300 0.075 0.000 2.457 309 Y HA 0.177 4.762 4.550 0.057 0.000 0.263 309 Y C 0.764 176.686 175.900 0.038 0.000 1.164 309 Y CA 0.292 58.428 58.100 0.060 0.000 1.274 309 Y CB -0.146 38.345 38.460 0.051 0.000 1.097 309 Y HN 0.840 nan 8.280 nan 0.000 0.523 310 E N -2.025 118.284 120.200 0.182 0.000 2.403 310 E HA 0.183 4.567 4.350 0.057 0.000 0.280 310 E C -1.747 174.888 176.600 0.058 0.000 1.101 310 E CA -0.972 55.487 56.400 0.098 0.000 0.856 310 E CB 0.642 30.391 29.700 0.082 0.000 1.303 310 E HN -0.228 nan 8.360 nan 0.000 0.441 311 D N 0.949 121.370 120.400 0.034 0.000 2.449 311 D HA 0.300 4.974 4.640 0.057 0.000 0.236 311 D C -0.166 176.127 176.300 -0.012 0.000 1.149 311 D CA 0.472 54.475 54.000 0.006 0.000 0.878 311 D CB 0.915 41.719 40.800 0.006 0.000 1.198 311 D HN 0.449 nan 8.370 nan 0.000 0.446 312 I N 0.063 120.606 120.570 -0.045 0.000 2.913 312 I HA 0.363 4.567 4.170 0.057 0.000 0.302 312 I C -1.368 174.705 176.117 -0.072 0.000 1.246 312 I CA -1.107 60.161 61.300 -0.054 0.000 1.010 312 I CB 2.167 40.126 38.000 -0.069 0.000 1.259 312 I HN 0.108 nan 8.210 nan 0.000 0.434 313 R N 5.766 126.237 120.500 -0.048 0.000 2.288 313 R HA 0.627 5.001 4.340 0.057 0.000 0.326 313 R C -2.103 174.180 176.300 -0.027 0.000 0.959 313 R CA -0.349 55.731 56.100 -0.033 0.000 0.834 313 R CB 1.194 31.487 30.300 -0.011 0.000 1.157 313 R HN 0.565 nan 8.270 nan 0.000 0.470 314 L N 5.099 126.306 121.223 -0.027 0.000 2.356 314 L HA 0.743 5.117 4.340 0.057 0.000 0.277 314 L C 0.580 177.498 176.870 0.081 0.000 0.996 314 L CA 0.995 55.830 54.840 -0.008 0.000 0.822 314 L CB 1.766 43.786 42.059 -0.065 0.000 1.256 314 L HN 0.874 nan 8.230 nan 0.000 0.413 315 G N 3.789 112.642 108.800 0.087 0.000 2.556 315 G HA2 -0.289 3.705 3.960 0.057 0.000 0.283 315 G HA3 -0.289 3.705 3.960 0.057 0.000 0.283 315 G C -0.034 174.945 174.900 0.132 0.000 1.177 315 G CA 0.380 45.569 45.100 0.148 0.000 0.978 315 G HN 0.943 nan 8.290 nan 0.000 0.554 316 D N 0.766 121.257 120.400 0.151 0.000 2.772 316 D HA 0.237 4.911 4.640 0.057 0.000 0.272 316 D C 0.168 176.350 176.300 -0.196 0.000 1.314 316 D CA -0.026 53.942 54.000 -0.054 0.000 0.835 316 D CB -0.375 40.348 40.800 -0.129 0.000 1.080 316 D HN 0.747 nan 8.370 nan 0.000 0.482 317 H N 0.084 119.161 119.070 0.012 0.000 2.747 317 H HA 0.383 4.974 4.556 0.057 0.000 0.371 317 H C -1.182 174.122 175.328 -0.039 0.000 1.161 317 H CA -0.854 55.210 56.048 0.026 0.000 1.167 317 H CB 2.479 32.301 29.762 0.100 0.000 1.732 317 H HN 0.038 nan 8.280 nan 0.000 0.544 318 D N 1.769 122.221 120.400 0.087 0.000 2.303 318 D HA 0.280 4.954 4.640 0.057 0.000 0.236 318 D C -0.765 175.460 176.300 -0.126 0.000 1.068 318 D CA -0.459 53.533 54.000 -0.013 0.000 0.830 318 D CB 0.732 41.540 40.800 0.012 0.000 1.109 318 D HN 0.337 nan 8.370 nan 0.000 0.496 319 I N 5.508 125.925 120.570 -0.255 0.000 2.306 319 I HA 0.297 4.501 4.170 0.057 0.000 0.288 319 I C -2.085 173.921 176.117 -0.186 0.000 1.036 319 I CA -2.172 58.854 61.300 -0.456 0.000 1.221 319 I CB 1.516 39.152 38.000 -0.607 0.000 1.385 319 I HN 0.313 nan 8.210 nan 0.000 0.472 320 P HA 0.032 nan 4.420 nan 0.000 0.268 320 P C -0.277 177.044 177.300 0.036 0.000 1.205 320 P CA -0.485 62.620 63.100 0.008 0.000 0.771 320 P CB 0.446 32.181 31.700 0.058 0.000 0.858 321 R N 2.626 123.158 120.500 0.054 0.000 2.523 321 R HA 0.055 4.429 4.340 0.057 0.000 0.281 321 R C 1.184 177.560 176.300 0.127 0.000 0.969 321 R CA 1.827 57.983 56.100 0.094 0.000 1.093 321 R CB -0.999 29.350 30.300 0.082 0.000 0.917 321 R HN 0.893 nan 8.270 nan 0.000 0.408 322 G N 2.337 111.255 108.800 0.196 0.000 2.194 322 G HA2 -0.246 3.748 3.960 0.057 0.000 0.236 322 G HA3 -0.246 3.748 3.960 0.057 0.000 0.236 322 G C -0.061 175.018 174.900 0.298 0.000 0.987 322 G CA 0.199 45.452 45.100 0.255 0.000 0.635 322 G HN 0.638 nan 8.290 nan 0.000 0.520 323 S N 0.103 115.911 115.700 0.179 0.000 2.585 323 S HA 0.533 5.037 4.470 0.057 0.000 0.273 323 S C 0.534 175.073 174.600 -0.103 0.000 1.339 323 S CA -0.172 58.084 58.200 0.093 0.000 1.028 323 S CB 1.430 64.662 63.200 0.053 0.000 0.906 323 S HN 0.576 nan 8.310 nan 0.000 0.528 324 R N 1.521 121.817 120.500 -0.339 0.000 2.338 324 R HA 0.547 4.921 4.340 0.057 0.000 0.317 324 R C -1.635 174.370 176.300 -0.493 0.000 0.968 324 R CA -0.400 55.182 56.100 -0.864 0.000 0.849 324 R CB 0.632 30.271 30.300 -1.102 0.000 1.128 324 R HN 0.441 nan 8.270 nan 0.000 0.448 325 V N 4.916 124.533 119.914 -0.495 0.000 2.495 325 V HA 0.409 4.564 4.120 0.057 0.000 0.298 325 V C -0.490 175.389 176.094 -0.359 0.000 1.031 325 V CA -0.858 61.243 62.300 -0.332 0.000 0.871 325 V CB 1.855 33.537 31.823 -0.234 0.000 0.988 325 V HN 0.477 nan 8.190 nan 0.000 0.432 326 V N 3.702 123.387 119.914 -0.382 0.000 2.378 326 V HA 0.697 4.851 4.120 0.057 0.000 0.288 326 V C 0.405 176.373 176.094 -0.210 0.000 1.016 326 V CA -0.541 61.576 62.300 -0.305 0.000 0.840 326 V CB 1.695 33.297 31.823 -0.370 0.000 0.994 326 V HN 1.003 nan 8.190 nan 0.000 0.431 327 A N 6.327 129.048 122.820 -0.165 0.000 2.260 327 A HA 0.664 5.018 4.320 0.057 0.000 0.312 327 A C -0.474 177.005 177.584 -0.175 0.000 1.321 327 A CA -0.455 51.486 52.037 -0.159 0.000 0.928 327 A CB 0.082 19.008 19.000 -0.123 0.000 1.158 327 A HN 0.627 nan 8.150 nan 0.000 0.542 328 L N 4.534 125.595 121.223 -0.270 0.000 2.385 328 L HA 0.111 4.485 4.340 0.057 0.000 0.285 328 L C 1.106 177.808 176.870 -0.280 0.000 1.125 328 L CA 0.088 54.716 54.840 -0.354 0.000 0.890 328 L CB -0.215 41.451 42.059 -0.655 0.000 1.251 328 L HN 0.729 nan 8.230 nan 0.000 0.445 329 L N 2.866 123.983 121.223 -0.175 0.000 2.083 329 L HA -0.084 4.290 4.340 0.057 0.000 0.209 329 L C 2.327 179.151 176.870 -0.077 0.000 1.083 329 L CA 1.801 56.587 54.840 -0.090 0.000 0.752 329 L CB -0.895 41.136 42.059 -0.047 0.000 0.899 329 L HN 0.734 nan 8.230 nan 0.000 0.433 330 G N -2.137 106.577 108.800 -0.142 0.000 2.408 330 G HA2 -0.247 3.748 3.960 0.057 0.000 0.217 330 G HA3 -0.247 3.748 3.960 0.057 0.000 0.217 330 G C 1.860 176.740 174.900 -0.032 0.000 1.150 330 G CA 0.962 46.067 45.100 0.009 0.000 0.776 330 G HN 0.399 nan 8.290 nan 0.000 0.542 331 S N 0.624 116.064 115.700 -0.435 0.000 2.357 331 S HA 0.109 4.613 4.470 0.057 0.000 0.221 331 S C 2.760 177.401 174.600 0.068 0.000 1.031 331 S CA 1.487 59.571 58.200 -0.192 0.000 0.982 331 S CB -0.455 62.554 63.200 -0.317 0.000 0.853 331 S HN 0.503 nan 8.310 nan 0.000 0.458 332 A N 1.899 124.750 122.820 0.051 0.000 1.908 332 A HA -0.120 4.234 4.320 0.057 0.000 0.218 332 A C 1.903 179.712 177.584 0.376 0.000 1.181 332 A CA 1.985 54.159 52.037 0.228 0.000 0.627 332 A CB -1.051 18.052 19.000 0.172 0.000 0.818 332 A HN 0.599 nan 8.150 nan 0.000 0.445 333 N N -0.457 118.371 118.700 0.213 0.000 2.519 333 N HA -0.051 4.723 4.740 0.057 0.000 0.186 333 N C 0.906 176.378 175.510 -0.063 0.000 1.062 333 N CA 0.694 53.781 53.050 0.063 0.000 0.910 333 N CB -0.095 38.344 38.487 -0.080 0.000 0.958 333 N HN 0.444 nan 8.380 nan 0.000 0.445 334 R N 0.016 120.569 120.500 0.088 0.000 2.700 334 R HA 0.119 4.493 4.340 0.057 0.000 0.399 334 R C -0.739 175.684 176.300 0.205 0.000 1.115 334 R CA -0.274 55.870 56.100 0.072 0.000 1.058 334 R CB 0.355 30.640 30.300 -0.025 0.000 1.389 334 R HN 0.059 nan 8.270 nan 0.000 0.582 335 D N 2.522 123.107 120.400 0.308 0.000 2.336 335 D HA 0.071 4.745 4.640 0.057 0.000 0.249 335 D C -1.269 175.134 176.300 0.172 0.000 1.213 335 D CA -2.020 52.121 54.000 0.236 0.000 0.870 335 D CB 1.671 42.617 40.800 0.244 0.000 1.076 335 D HN 0.021 nan 8.370 nan 0.000 0.483 336 P HA -0.142 nan 4.420 nan 0.000 0.219 336 P C 1.012 178.326 177.300 0.022 0.000 1.146 336 P CA 0.657 63.807 63.100 0.083 0.000 0.808 336 P CB 0.229 31.974 31.700 0.076 0.000 0.779 337 A N -0.147 122.681 122.820 0.014 0.000 2.070 337 A HA -0.121 4.233 4.320 0.057 0.000 0.220 337 A C 2.385 179.889 177.584 -0.133 0.000 1.159 337 A CA 1.175 53.195 52.037 -0.028 0.000 0.656 337 A CB -0.762 18.244 19.000 0.009 0.000 0.800 337 A HN 0.074 nan 8.150 nan 0.000 0.453 338 R N -2.747 117.598 120.500 -0.258 0.000 2.435 338 R HA 0.226 4.600 4.340 0.057 0.000 0.221 338 R C -0.991 174.842 176.300 -0.778 0.000 0.885 338 R CA 0.173 55.901 56.100 -0.620 0.000 1.018 338 R CB 0.619 30.261 30.300 -1.097 0.000 1.259 338 R HN 0.437 nan 8.270 nan 0.000 0.597 339 F N 2.113 121.997 119.950 -0.110 0.000 2.443 339 F HA 0.412 4.975 4.527 0.060 0.000 0.369 339 F C -2.273 173.511 175.800 -0.028 0.000 1.090 339 F CA -2.914 55.042 58.000 -0.073 0.000 1.129 339 F CB 1.237 40.196 39.000 -0.069 0.000 1.367 339 F HN -0.232 nan 8.300 nan 0.000 0.465 340 P HA -0.032 nan 4.420 nan 0.000 0.263 340 P C -0.255 177.104 177.300 0.099 0.000 1.175 340 P CA 0.641 63.787 63.100 0.075 0.000 0.761 340 P CB 0.374 32.102 31.700 0.047 0.000 0.794 341 D N 2.514 122.964 120.400 0.084 0.000 2.746 341 D HA -0.129 4.545 4.640 0.057 0.000 0.241 341 D C -1.170 175.187 176.300 0.096 0.000 1.140 341 D CA 0.285 54.335 54.000 0.084 0.000 0.707 341 D CB -0.746 40.100 40.800 0.077 0.000 1.034 341 D HN 0.391 nan 8.370 nan 0.000 0.423 342 P HA -0.172 nan 4.420 nan 0.000 0.222 342 P C 0.723 178.031 177.300 0.013 0.000 1.142 342 P CA 1.115 64.257 63.100 0.071 0.000 0.788 342 P CB 0.367 32.120 31.700 0.089 0.000 0.767 343 D N -0.853 119.583 120.400 0.061 0.000 2.360 343 D HA 0.066 4.740 4.640 0.057 0.000 0.210 343 D C 0.460 176.919 176.300 0.264 0.000 1.047 343 D CA 0.160 54.219 54.000 0.098 0.000 0.854 343 D CB 0.298 41.156 40.800 0.096 0.000 0.936 343 D HN 0.074 nan 8.370 nan 0.000 0.514 344 V N 1.920 121.946 119.914 0.187 0.000 2.432 344 V HA 0.128 4.283 4.120 0.057 0.000 0.275 344 V C 0.154 176.291 176.094 0.071 0.000 1.043 344 V CA -0.880 61.513 62.300 0.155 0.000 0.925 344 V CB 1.786 33.672 31.823 0.104 0.000 0.985 344 V HN -0.024 nan 8.190 nan 0.000 0.466 345 L N 5.183 126.333 121.223 -0.121 0.000 2.433 345 L HA 0.339 4.713 4.340 0.057 0.000 0.284 345 L C -0.043 176.736 176.870 -0.152 0.000 1.120 345 L CA 0.615 55.238 54.840 -0.362 0.000 0.879 345 L CB 0.045 41.587 42.059 -0.862 0.000 1.232 345 L HN 0.691 nan 8.230 nan 0.000 0.454 346 D N 3.428 123.781 120.400 -0.078 0.000 2.438 346 D HA 0.094 4.768 4.640 0.057 0.000 0.257 346 D C 0.964 177.240 176.300 -0.038 0.000 1.148 346 D CA -0.337 53.655 54.000 -0.013 0.000 0.902 346 D CB 1.247 42.074 40.800 0.046 0.000 1.062 346 D HN 0.329 nan 8.370 nan 0.000 0.518 347 V N 1.933 121.782 119.914 -0.107 0.000 3.241 347 V HA -0.057 4.098 4.120 0.057 0.000 0.269 347 V C 1.212 177.166 176.094 -0.234 0.000 1.151 347 V CA 1.048 63.238 62.300 -0.184 0.000 1.158 347 V CB -0.789 30.881 31.823 -0.254 0.000 0.764 347 V HN 0.513 nan 8.190 nan 0.000 0.508 348 H N 1.545 120.617 119.070 0.004 0.000 2.553 348 H HA 0.225 4.818 4.556 0.062 0.000 0.265 348 H C 1.107 176.450 175.328 0.026 0.000 0.964 348 H CA 0.168 56.224 56.048 0.015 0.000 1.156 348 H CB 0.259 30.029 29.762 0.013 0.000 1.411 348 H HN 0.648 nan 8.280 nan 0.000 0.558 349 R N 0.973 121.543 120.500 0.117 0.000 2.594 349 R HA 0.455 4.829 4.340 0.057 0.000 0.272 349 R C 0.175 176.533 176.300 0.097 0.000 1.074 349 R CA -0.253 55.913 56.100 0.110 0.000 1.105 349 R CB 0.719 31.093 30.300 0.124 0.000 1.008 349 R HN -0.097 nan 8.270 nan 0.000 0.472 350 A N 2.037 124.913 122.820 0.095 0.000 2.561 350 A HA 0.344 4.698 4.320 0.057 0.000 0.234 350 A C 0.419 178.064 177.584 0.102 0.000 1.055 350 A CA 0.380 52.468 52.037 0.084 0.000 0.756 350 A CB -0.039 19.001 19.000 0.066 0.000 0.986 350 A HN 0.943 nan 8.150 nan 0.000 0.505 351 A N 1.034 123.907 122.820 0.088 0.000 2.274 351 A HA 0.661 5.015 4.320 0.057 0.000 0.297 351 A C 0.615 178.269 177.584 0.117 0.000 1.191 351 A CA 0.031 52.129 52.037 0.101 0.000 0.889 351 A CB 0.056 19.104 19.000 0.080 0.000 1.294 351 A HN 1.158 nan 8.150 nan 0.000 0.506 352 E N -1.498 118.784 120.200 0.135 0.000 2.442 352 E HA -0.142 4.242 4.350 0.057 0.000 0.256 352 E C 0.196 176.906 176.600 0.184 0.000 1.095 352 E CA 0.558 57.046 56.400 0.147 0.000 0.747 352 E CB -0.742 29.018 29.700 0.099 0.000 1.310 352 E HN 0.616 nan 8.360 nan 0.000 0.396 353 R N -0.882 119.769 120.500 0.253 0.000 2.650 353 R HA 0.030 4.404 4.340 0.057 0.000 0.212 353 R C 0.495 177.117 176.300 0.537 0.000 0.904 353 R CA 0.784 57.092 56.100 0.346 0.000 1.021 353 R CB 0.003 30.454 30.300 0.251 0.000 1.519 353 R HN 0.328 nan 8.270 nan 0.000 0.639 354 Q N 1.582 121.627 119.800 0.408 0.000 2.311 354 Q HA 0.124 4.498 4.340 0.057 0.000 0.272 354 Q C 0.677 176.847 176.000 0.284 0.000 1.012 354 Q CA 0.125 56.119 55.803 0.318 0.000 0.891 354 Q CB 0.834 29.602 28.738 0.050 0.000 1.201 354 Q HN 0.016 nan 8.270 nan 0.000 0.391 355 V N 0.689 120.764 119.914 0.268 0.000 3.189 355 V HA 0.402 4.556 4.120 0.057 0.000 0.366 355 V C 1.063 177.196 176.094 0.065 0.000 1.313 355 V CA 0.344 62.744 62.300 0.167 0.000 1.302 355 V CB -0.461 31.415 31.823 0.087 0.000 1.260 355 V HN 0.876 nan 8.190 nan 0.000 0.484 356 G N 0.041 108.826 108.800 -0.024 0.000 2.509 356 G HA2 -0.090 3.904 3.960 0.057 0.000 0.218 356 G HA3 -0.090 3.904 3.960 0.057 0.000 0.218 356 G C 0.777 175.520 174.900 -0.262 0.000 1.124 356 G CA 0.593 45.586 45.100 -0.178 0.000 0.776 356 G HN 0.585 nan 8.290 nan 0.000 0.547 357 F N 0.768 120.664 119.950 -0.089 0.000 2.639 357 F HA 0.425 4.981 4.527 0.050 0.000 0.302 357 F C 1.579 177.207 175.800 -0.287 0.000 1.097 357 F CA -0.110 57.725 58.000 -0.274 0.000 1.294 357 F CB 0.468 39.192 39.000 -0.461 0.000 1.027 357 F HN 0.339 nan 8.300 nan 0.000 0.550 358 G N 0.784 109.631 108.800 0.080 0.000 2.527 358 G HA2 -0.099 3.895 3.960 0.057 0.000 0.227 358 G HA3 -0.099 3.895 3.960 0.057 0.000 0.227 358 G C -1.277 173.765 174.900 0.237 0.000 1.291 358 G CA -0.358 44.801 45.100 0.097 0.000 0.904 358 G HN 0.385 nan 8.290 nan 0.000 0.577 359 L N -0.999 120.371 121.223 0.244 0.000 2.983 359 L HA 0.634 5.008 4.340 0.057 0.000 0.249 359 L C 0.476 177.433 176.870 0.146 0.000 0.963 359 L CA 1.017 55.995 54.840 0.229 0.000 1.011 359 L CB 1.397 43.515 42.059 0.097 0.000 1.607 359 L HN 3.080 nan 8.230 nan 0.000 0.447 360 G N 2.598 111.458 108.800 0.099 0.000 2.548 360 G HA2 -0.191 3.803 3.960 0.057 0.000 0.208 360 G HA3 -0.191 3.803 3.960 0.057 0.000 0.208 360 G C 0.501 175.436 174.900 0.059 0.000 1.308 360 G CA 0.074 45.203 45.100 0.050 0.000 0.924 360 G HN 1.723 nan 8.290 nan 0.000 0.540 361 I N -2.566 118.000 120.570 -0.007 0.000 2.700 361 I HA 0.050 4.254 4.170 0.057 0.000 0.261 361 I C 1.543 177.610 176.117 -0.084 0.000 1.219 361 I CA 1.847 63.115 61.300 -0.053 0.000 1.463 361 I CB -0.257 37.659 38.000 -0.141 0.000 1.092 361 I HN 0.471 nan 8.210 nan 0.000 0.452 362 H N -0.112 119.003 119.070 0.075 0.000 2.529 362 H HA 0.147 4.737 4.556 0.056 0.000 0.277 362 H C -0.068 175.319 175.328 0.098 0.000 1.004 362 H CA -0.504 55.591 56.048 0.080 0.000 1.167 362 H CB -0.288 29.461 29.762 -0.023 0.000 1.445 362 H HN 0.363 nan 8.280 nan 0.000 0.554 363 Y N 1.646 121.992 120.300 0.075 0.000 3.053 363 Y HA -0.214 4.370 4.550 0.057 0.000 0.346 363 Y C 0.740 176.639 175.900 -0.002 0.000 1.279 363 Y CA -0.219 57.901 58.100 0.034 0.000 1.513 363 Y CB 0.388 38.847 38.460 -0.002 0.000 1.295 363 Y HN 0.228 nan 8.280 nan 0.000 0.642 364 C N 8.795 127.698 119.300 -0.662 0.000 2.531 364 C HA -0.042 4.452 4.460 0.057 0.000 0.401 364 C C 1.787 176.538 174.990 -0.398 0.000 1.473 364 C CA -0.282 58.429 59.018 -0.512 0.000 1.472 364 C CB -2.135 25.243 27.740 -0.603 0.000 2.429 364 C HN 1.008 nan 8.230 nan 0.000 0.620 365 L N 6.048 127.099 121.223 -0.286 0.000 2.079 365 L HA 0.104 4.478 4.340 0.057 0.000 0.210 365 L C 2.048 178.673 176.870 -0.408 0.000 1.081 365 L CA 2.554 57.223 54.840 -0.284 0.000 0.752 365 L CB -0.628 41.231 42.059 -0.333 0.000 0.896 365 L HN 0.861 nan 8.230 nan 0.000 0.433 366 G N -2.349 106.133 108.800 -0.530 0.000 3.820 366 G HA2 0.378 4.372 3.960 0.057 0.000 0.293 366 G HA3 0.378 4.372 3.960 0.057 0.000 0.293 366 G C 1.259 175.909 174.900 -0.417 0.000 1.152 366 G CA 0.340 45.137 45.100 -0.505 0.000 0.921 366 G HN 0.548 nan 8.290 nan 0.000 0.544 367 A N 0.478 122.964 122.820 -0.555 0.000 1.892 367 A HA -0.109 4.245 4.320 0.057 0.000 0.218 367 A C 2.497 179.745 177.584 -0.560 0.000 1.188 367 A CA 2.571 54.031 52.037 -0.962 0.000 0.631 367 A CB -0.740 17.578 19.000 -1.136 0.000 0.822 367 A HN 0.305 nan 8.150 nan 0.000 0.447 368 T N -0.087 114.292 114.554 -0.292 0.000 2.708 368 T HA -0.136 4.248 4.350 0.057 0.000 0.266 368 T C 1.855 176.496 174.700 -0.099 0.000 1.037 368 T CA 1.510 63.524 62.100 -0.144 0.000 1.146 368 T CB -0.415 68.415 68.868 -0.064 0.000 0.865 368 T HN 0.345 nan 8.240 nan 0.000 0.435 369 L N 1.727 122.900 121.223 -0.083 0.000 1.989 369 L HA 0.027 4.402 4.340 0.057 0.000 0.211 369 L C 2.651 179.484 176.870 -0.061 0.000 1.071 369 L CA 2.099 56.918 54.840 -0.036 0.000 0.749 369 L CB -1.273 40.793 42.059 0.011 0.000 0.890 369 L HN 0.231 nan 8.230 nan 0.000 0.431 370 A N -0.322 122.433 122.820 -0.108 0.000 1.903 370 A HA -0.319 4.035 4.320 0.057 0.000 0.219 370 A C 2.591 180.149 177.584 -0.044 0.000 1.191 370 A CA 2.228 54.224 52.037 -0.068 0.000 0.638 370 A CB -0.792 18.207 19.000 -0.002 0.000 0.823 370 A HN 0.550 nan 8.150 nan 0.000 0.451 371 R N -0.717 119.771 120.500 -0.020 0.000 2.148 371 R HA -0.017 4.358 4.340 0.057 0.000 0.227 371 R C 2.199 178.491 176.300 -0.012 0.000 1.103 371 R CA 1.118 57.217 56.100 -0.002 0.000 0.983 371 R CB -0.295 30.024 30.300 0.033 0.000 0.874 371 R HN 0.496 nan 8.270 nan 0.000 0.451 372 A N 1.002 123.815 122.820 -0.013 0.000 1.897 372 A HA -0.117 4.237 4.320 0.057 0.000 0.215 372 A C 1.770 179.364 177.584 0.015 0.000 1.181 372 A CA 1.148 53.188 52.037 0.004 0.000 0.620 372 A CB -0.231 18.771 19.000 0.003 0.000 0.821 372 A HN 0.438 nan 8.150 nan 0.000 0.443 373 E N 0.131 120.333 120.200 0.004 0.000 2.106 373 E HA -0.088 4.296 4.350 0.057 0.000 0.192 373 E C 2.244 178.882 176.600 0.064 0.000 0.984 373 E CA 0.856 57.267 56.400 0.018 0.000 0.806 373 E CB -0.283 29.412 29.700 -0.007 0.000 0.750 373 E HN 0.608 nan 8.360 nan 0.000 0.458 374 A N 1.888 124.735 122.820 0.045 0.000 1.855 374 A HA -0.230 4.125 4.320 0.057 0.000 0.215 374 A C 1.998 179.695 177.584 0.189 0.000 1.191 374 A CA 1.434 53.565 52.037 0.156 0.000 0.613 374 A CB -0.413 18.505 19.000 -0.136 0.000 0.829 374 A HN 0.150 nan 8.150 nan 0.000 0.442 375 E N -0.139 120.123 120.200 0.103 0.000 2.038 375 E HA -0.189 4.195 4.350 0.057 0.000 0.195 375 E C 1.958 178.614 176.600 0.093 0.000 1.000 375 E CA 1.459 57.915 56.400 0.093 0.000 0.803 375 E CB -0.392 29.342 29.700 0.057 0.000 0.750 375 E HN 0.675 nan 8.360 nan 0.000 0.448 376 I N 1.149 121.769 120.570 0.083 0.000 2.179 376 I HA -0.205 4.000 4.170 0.057 0.000 0.242 376 I C 2.642 178.836 176.117 0.129 0.000 1.088 376 I CA 1.313 62.663 61.300 0.084 0.000 1.357 376 I CB -0.703 37.335 38.000 0.064 0.000 1.051 376 I HN 0.187 nan 8.210 nan 0.000 0.409 377 G N 0.867 109.771 108.800 0.173 0.000 2.440 377 G HA2 -0.223 3.771 3.960 0.057 0.000 0.218 377 G HA3 -0.223 3.771 3.960 0.057 0.000 0.218 377 G C 1.759 176.813 174.900 0.256 0.000 1.154 377 G CA 0.506 45.792 45.100 0.310 0.000 0.767 377 G HN 0.261 nan 8.290 nan 0.000 0.552 378 L N -0.232 121.098 121.223 0.178 0.000 2.046 378 L HA -0.080 4.294 4.340 0.057 0.000 0.208 378 L C 3.287 180.180 176.870 0.037 0.000 1.077 378 L CA 0.885 55.778 54.840 0.089 0.000 0.747 378 L CB -0.214 41.901 42.059 0.093 0.000 0.896 378 L HN 0.139 nan 8.230 nan 0.000 0.432 379 R N -0.139 120.393 120.500 0.054 0.000 2.088 379 R HA -0.187 4.187 4.340 0.057 0.000 0.232 379 R C 2.248 178.552 176.300 0.008 0.000 1.136 379 R CA 1.623 57.739 56.100 0.027 0.000 0.926 379 R CB -1.189 29.134 30.300 0.038 0.000 0.837 379 R HN 0.383 nan 8.270 nan 0.000 0.429 380 A N 1.598 124.439 122.820 0.035 0.000 1.940 380 A HA -0.197 4.158 4.320 0.057 0.000 0.221 380 A C 2.474 180.001 177.584 -0.095 0.000 1.190 380 A CA 1.689 53.732 52.037 0.009 0.000 0.647 380 A CB -0.760 18.302 19.000 0.104 0.000 0.821 380 A HN 0.243 nan 8.150 nan 0.000 0.457 381 L N -1.016 120.112 121.223 -0.158 0.000 2.027 381 L HA -0.152 4.222 4.340 0.057 0.000 0.206 381 L C 2.547 179.336 176.870 -0.136 0.000 1.074 381 L CA 0.675 55.370 54.840 -0.242 0.000 0.745 381 L CB -0.582 41.318 42.059 -0.265 0.000 0.898 381 L HN 0.302 nan 8.230 nan 0.000 0.433 382 L N -0.078 121.095 121.223 -0.083 0.000 2.012 382 L HA -0.240 4.134 4.340 0.057 0.000 0.210 382 L C 2.223 179.064 176.870 -0.047 0.000 1.073 382 L CA 1.949 56.755 54.840 -0.056 0.000 0.748 382 L CB -1.147 40.891 42.059 -0.034 0.000 0.891 382 L HN 0.377 nan 8.230 nan 0.000 0.431 383 D N -1.028 119.348 120.400 -0.040 0.000 2.213 383 D HA -0.040 4.635 4.640 0.057 0.000 0.205 383 D C 2.093 178.370 176.300 -0.038 0.000 0.961 383 D CA 1.197 55.179 54.000 -0.029 0.000 0.853 383 D CB 0.012 40.803 40.800 -0.015 0.000 0.967 383 D HN 0.321 nan 8.370 nan 0.000 0.496 384 G N 0.344 109.109 108.800 -0.058 0.000 2.464 384 G HA2 0.027 4.021 3.960 0.057 0.000 0.217 384 G HA3 0.027 4.021 3.960 0.057 0.000 0.217 384 G C 0.870 175.726 174.900 -0.074 0.000 1.138 384 G CA 0.057 45.118 45.100 -0.065 0.000 0.793 384 G HN 0.219 nan 8.290 nan 0.000 0.539 385 I N 1.000 121.516 120.570 -0.089 0.000 2.595 385 I HA 0.236 4.440 4.170 0.057 0.000 0.275 385 I C -1.934 174.148 176.117 -0.059 0.000 1.092 385 I CA -1.770 59.482 61.300 -0.079 0.000 1.145 385 I CB 2.497 40.431 38.000 -0.110 0.000 1.276 385 I HN -0.115 nan 8.210 nan 0.000 0.497 386 P HA -0.219 nan 4.420 nan 0.000 0.217 386 P C 1.310 178.593 177.300 -0.027 0.000 1.151 386 P CA 1.114 64.196 63.100 -0.030 0.000 0.849 386 P CB 0.317 32.004 31.700 -0.022 0.000 0.787 387 A N -1.435 121.369 122.820 -0.027 0.000 2.291 387 A HA 0.044 4.399 4.320 0.057 0.000 0.220 387 A C 1.734 179.306 177.584 -0.021 0.000 1.262 387 A CA -0.046 51.980 52.037 -0.019 0.000 0.867 387 A CB -1.401 17.591 19.000 -0.014 0.000 0.888 387 A HN 0.097 nan 8.150 nan 0.000 0.487 388 L N -0.236 120.965 121.223 -0.036 0.000 2.089 388 L HA -0.142 4.232 4.340 0.057 0.000 0.213 388 L C 1.960 178.816 176.870 -0.024 0.000 1.079 388 L CA 2.419 57.231 54.840 -0.046 0.000 0.758 388 L CB -0.436 41.582 42.059 -0.068 0.000 0.891 388 L HN 0.320 nan 8.230 nan 0.000 0.433 389 G N -1.327 107.465 108.800 -0.014 0.000 3.233 389 G HA2 0.146 4.140 3.960 0.057 0.000 0.234 389 G HA3 0.146 4.140 3.960 0.057 0.000 0.234 389 G C 0.717 175.625 174.900 0.014 0.000 1.137 389 G CA -0.428 44.673 45.100 0.003 0.000 0.763 389 G HN 0.239 nan 8.290 nan 0.000 0.549 390 R N -0.595 119.911 120.500 0.011 0.000 2.691 390 R HA 0.588 4.962 4.340 0.057 0.000 0.259 390 R C 1.086 177.399 176.300 0.020 0.000 1.048 390 R CA 0.146 56.252 56.100 0.011 0.000 1.086 390 R CB 0.834 31.136 30.300 0.002 0.000 1.166 390 R HN 0.236 nan 8.270 nan 0.000 0.526 391 G N 0.115 108.921 108.800 0.010 0.000 2.578 391 G HA2 -0.176 3.818 3.960 0.057 0.000 0.275 391 G HA3 -0.176 3.818 3.960 0.057 0.000 0.275 391 G C -0.647 174.256 174.900 0.005 0.000 1.271 391 G CA -0.005 45.098 45.100 0.005 0.000 0.941 391 G HN 0.819 nan 8.290 nan 0.000 0.564 392 A N -0.785 122.029 122.820 -0.011 0.000 2.389 392 A HA 1.007 5.361 4.320 0.057 0.000 0.293 392 A C -0.037 177.539 177.584 -0.013 0.000 1.186 392 A CA 0.537 52.529 52.037 -0.074 0.000 0.828 392 A CB 1.396 20.321 19.000 -0.126 0.000 1.369 392 A HN 2.022 nan 8.150 nan 0.000 0.446 393 H N -1.333 117.742 119.070 0.007 0.000 2.959 393 H HA 0.761 5.354 4.556 0.061 0.000 0.296 393 H C -1.435 173.904 175.328 0.017 0.000 1.421 393 H CA -0.360 55.693 56.048 0.009 0.000 1.206 393 H CB 1.354 31.122 29.762 0.009 0.000 1.891 393 H HN 0.701 nan 8.280 nan 0.000 0.573 394 E N 0.833 121.177 120.200 0.239 0.000 2.274 394 E HA 0.514 4.899 4.350 0.057 0.000 0.269 394 E C -1.848 174.878 176.600 0.210 0.000 0.891 394 E CA -0.962 55.537 56.400 0.164 0.000 0.784 394 E CB 2.776 32.522 29.700 0.076 0.000 1.225 394 E HN 0.422 nan 8.360 nan 0.000 0.412 395 V N 2.130 122.184 119.914 0.233 0.000 2.815 395 V HA 0.568 4.722 4.120 0.057 0.000 0.314 395 V C -1.259 174.932 176.094 0.161 0.000 1.064 395 V CA -0.530 61.876 62.300 0.177 0.000 0.952 395 V CB 1.834 33.794 31.823 0.229 0.000 1.020 395 V HN 0.900 nan 8.190 nan 0.000 0.439 396 E N 3.960 124.225 120.200 0.107 0.000 2.255 396 E HA 0.392 4.776 4.350 0.057 0.000 0.256 396 E C -1.949 174.709 176.600 0.096 0.000 0.887 396 E CA -0.550 55.921 56.400 0.119 0.000 0.782 396 E CB 1.286 31.024 29.700 0.064 0.000 1.214 396 E HN 0.695 nan 8.360 nan 0.000 0.417 397 Y N 1.553 121.852 120.300 -0.002 0.000 2.307 397 Y HA 0.477 5.063 4.550 0.059 0.000 0.324 397 Y C 0.726 176.617 175.900 -0.016 0.000 1.238 397 Y CA -0.100 57.981 58.100 -0.032 0.000 1.280 397 Y CB 1.446 39.886 38.460 -0.032 0.000 1.248 397 Y HN 0.605 nan 8.280 nan 0.000 0.508 398 A N 1.179 124.049 122.820 0.082 0.000 2.264 398 A HA 0.326 4.680 4.320 0.057 0.000 0.304 398 A C -0.426 177.216 177.584 0.097 0.000 1.100 398 A CA -0.754 51.321 52.037 0.064 0.000 0.839 398 A CB 0.146 19.161 19.000 0.026 0.000 1.121 398 A HN 0.714 nan 8.150 nan 0.000 0.496 399 D N 1.490 121.928 120.400 0.063 0.000 2.801 399 D HA 0.219 4.894 4.640 0.057 0.000 0.232 399 D C -0.960 175.356 176.300 0.026 0.000 1.128 399 D CA 0.850 54.878 54.000 0.048 0.000 1.003 399 D CB 0.053 40.866 40.800 0.021 0.000 1.110 399 D HN 0.388 nan 8.370 nan 0.000 0.477 400 D N 1.031 121.467 120.400 0.061 0.000 2.602 400 D HA 0.117 4.791 4.640 0.057 0.000 0.245 400 D C 0.606 176.963 176.300 0.094 0.000 1.325 400 D CA -0.430 53.602 54.000 0.053 0.000 0.952 400 D CB 1.258 42.110 40.800 0.088 0.000 1.317 400 D HN -0.166 nan 8.370 nan 0.000 0.577 401 M N 2.526 122.112 119.600 -0.025 0.000 2.502 401 M HA 0.078 4.592 4.480 0.057 0.000 0.243 401 M C 1.271 177.568 176.300 -0.004 0.000 1.130 401 M CA 0.241 55.495 55.300 -0.076 0.000 1.055 401 M CB 0.227 32.619 32.600 -0.347 0.000 1.457 401 M HN 0.231 nan 8.290 nan 0.000 0.488 402 V N -0.946 118.989 119.914 0.035 0.000 2.423 402 V HA 0.056 4.211 4.120 0.057 0.000 0.233 402 V C 0.619 176.880 176.094 0.278 0.000 1.067 402 V CA 0.584 62.924 62.300 0.066 0.000 1.073 402 V CB -0.265 31.520 31.823 -0.063 0.000 0.715 402 V HN 0.082 nan 8.190 nan 0.000 0.485 403 F N 2.893 122.868 119.950 0.041 0.000 2.464 403 F HA 0.321 4.886 4.527 0.063 0.000 0.353 403 F C 0.445 176.289 175.800 0.073 0.000 1.191 403 F CA -0.630 57.389 58.000 0.031 0.000 1.147 403 F CB -1.274 37.721 39.000 -0.009 0.000 1.294 403 F HN 0.270 nan 8.300 nan 0.000 0.583 404 H N 2.074 121.246 119.070 0.171 0.000 2.489 404 H HA 0.633 5.223 4.556 0.057 0.000 0.322 404 H C 0.106 175.477 175.328 0.072 0.000 1.091 404 H CA 0.164 56.289 56.048 0.128 0.000 1.291 404 H CB 1.354 31.198 29.762 0.138 0.000 1.436 404 H HN 0.736 nan 8.280 nan 0.000 0.480 405 G N 4.536 113.046 108.800 -0.483 0.000 2.339 405 G HA2 0.013 4.007 3.960 0.057 0.000 0.302 405 G HA3 0.013 4.007 3.960 0.057 0.000 0.302 405 G C -3.342 171.160 174.900 -0.662 0.000 1.425 405 G CA -1.169 43.592 45.100 -0.565 0.000 0.899 405 G HN 0.381 nan 8.290 nan 0.000 0.619 406 P HA 0.177 nan 4.420 nan 0.000 0.268 406 P C 1.177 178.321 177.300 -0.260 0.000 1.205 406 P CA 0.524 63.274 63.100 -0.583 0.000 0.771 406 P CB 0.828 32.247 31.700 -0.468 0.000 0.858 407 T N 0.367 114.829 114.554 -0.152 0.000 3.009 407 T HA 0.046 4.431 4.350 0.057 0.000 0.258 407 T C 0.606 175.278 174.700 -0.047 0.000 1.063 407 T CA 0.214 62.275 62.100 -0.065 0.000 1.139 407 T CB -0.030 68.825 68.868 -0.022 0.000 0.890 407 T HN 0.558 nan 8.240 nan 0.000 0.471 408 R N -0.173 120.295 120.500 -0.054 0.000 2.594 408 R HA 0.604 4.979 4.340 0.057 0.000 0.265 408 R C -2.206 174.074 176.300 -0.033 0.000 1.070 408 R CA -1.108 54.975 56.100 -0.028 0.000 0.909 408 R CB 1.372 31.672 30.300 -0.000 0.000 1.243 408 R HN 0.164 nan 8.270 nan 0.000 0.455 409 L N 4.332 125.537 121.223 -0.029 0.000 2.471 409 L HA 0.420 4.794 4.340 0.057 0.000 0.263 409 L C -1.728 175.138 176.870 -0.007 0.000 0.985 409 L CA -0.803 54.016 54.840 -0.035 0.000 0.868 409 L CB 1.551 43.552 42.059 -0.096 0.000 1.203 409 L HN 0.659 nan 8.230 nan 0.000 0.429 410 L N 4.706 125.949 121.223 0.034 0.000 2.312 410 L HA 0.521 4.895 4.340 0.057 0.000 0.281 410 L C -0.010 176.900 176.870 0.067 0.000 1.070 410 L CA 0.083 54.948 54.840 0.043 0.000 0.805 410 L CB 1.493 43.581 42.059 0.048 0.000 1.174 410 L HN 0.479 nan 8.230 nan 0.000 0.434 411 L N 2.366 123.611 121.223 0.038 0.000 2.235 411 L HA 0.688 5.062 4.340 0.057 0.000 0.260 411 L C -1.187 175.700 176.870 0.027 0.000 1.025 411 L CA -0.479 54.386 54.840 0.041 0.000 0.836 411 L CB 2.093 44.154 42.059 0.003 0.000 1.395 411 L HN 0.556 nan 8.230 nan 0.000 0.443 412 D N 1.350 121.763 120.400 0.022 0.000 2.757 412 D HA 0.291 4.966 4.640 0.057 0.000 0.249 412 D C -0.297 176.005 176.300 0.004 0.000 1.168 412 D CA -0.486 53.522 54.000 0.012 0.000 0.870 412 D CB 2.139 42.948 40.800 0.015 0.000 1.411 412 D HN 0.443 nan 8.370 nan 0.000 0.525 413 L N 2.106 123.330 121.223 0.002 0.000 2.581 413 L HA 0.041 4.415 4.340 0.057 0.000 0.299 413 L C -1.885 174.984 176.870 -0.002 0.000 1.261 413 L CA -0.125 54.715 54.840 -0.001 0.000 0.866 413 L CB -0.040 42.020 42.059 0.002 0.000 1.113 413 L HN 0.460 nan 8.230 nan 0.000 0.514 414 P HA 0.000 nan 4.420 nan 0.000 0.216 414 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 414 P CB 0.000 31.697 31.700 -0.006 0.000 0.726