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 2zh1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVEEILEKA LELVIPDEEE VRKGREAEEE LRRRLDELGV EYVFVGSYAR DATA SEQUENCE NTWLKGSLEI DVFLLFPEEF SKEELRERGL EIGKAVLDSY EIRYAEHPYV DATA SEQUENCE HGVVKGVEVD VVPCYKLKEP KNIKSAVDRT PFHHKWLEGR IKGKENEVRL DATA SEQUENCE LKGFLKANGI YGAEYKVRGF SGYLCELLIV FYGSFLETVK NARRWTRRTV DATA SEQUENCE IDVAKGEVRK GEEFFVVDPV DEKRNVAANL SLDNLARFVH LCREFMEAPS DATA SEQUENCE LGFFKPKHPL EIEPERLRKI VEERGTAVFA VKFRKPDIVD DNLYPQLERA DATA SEQUENCE SRKIFEFLER ENFMPLRSAF KASEEFCYLL FECQIKEISR VFRRMGPQFE DATA SEQUENCE DERNVKKFLS RNRAFRPFIE NGRWWAFEMR KFTTPEEGVR SYASTHWHTL DATA SEQUENCE GKNVGESIRE YFEIISGEKL FKEPVTAELC EMMGVKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.254 176.300 -0.077 0.000 1.140 1 M CA 0.000 55.270 55.300 -0.050 0.000 0.988 1 M CB 0.000 32.576 32.600 -0.040 0.000 1.302 2 K N -0.150 120.207 120.400 -0.072 0.000 2.350 2 K HA 0.771 5.080 4.320 -0.018 0.000 0.241 2 K C 0.987 177.534 176.600 -0.089 0.000 0.994 2 K CA -0.585 55.646 56.287 -0.094 0.000 0.839 2 K CB 2.826 35.285 32.500 -0.067 0.000 1.244 2 K HN -0.034 nan 8.250 nan 0.000 0.443 3 V N 1.660 121.511 119.914 -0.105 0.000 2.257 3 V HA -0.376 3.734 4.120 -0.018 0.000 0.257 3 V C 1.892 178.007 176.094 0.035 0.000 1.077 3 V CA 2.434 64.720 62.300 -0.023 0.000 1.063 3 V CB -0.955 30.887 31.823 0.030 0.000 0.664 3 V HN 0.859 nan 8.190 nan 0.000 0.450 4 E N 0.087 120.290 120.200 0.005 0.000 2.085 4 E HA -0.220 4.119 4.350 -0.018 0.000 0.194 4 E C 2.251 178.839 176.600 -0.019 0.000 0.994 4 E CA 1.347 57.745 56.400 -0.004 0.000 0.801 4 E CB -0.322 29.370 29.700 -0.013 0.000 0.743 4 E HN 0.706 nan 8.360 nan 0.000 0.453 5 E N 1.024 121.209 120.200 -0.024 0.000 2.058 5 E HA -0.202 4.137 4.350 -0.018 0.000 0.194 5 E C 2.233 178.817 176.600 -0.027 0.000 0.997 5 E CA 0.991 57.373 56.400 -0.028 0.000 0.801 5 E CB -0.282 29.400 29.700 -0.030 0.000 0.746 5 E HN 0.310 nan 8.360 nan 0.000 0.450 6 I N 1.290 121.855 120.570 -0.009 0.000 2.202 6 I HA -0.187 3.973 4.170 -0.018 0.000 0.242 6 I C 2.669 178.751 176.117 -0.057 0.000 1.091 6 I CA 0.888 62.197 61.300 0.016 0.000 1.368 6 I CB -1.277 36.790 38.000 0.112 0.000 1.058 6 I HN 0.061 nan 8.210 nan 0.000 0.410 7 L N 0.276 121.465 121.223 -0.056 0.000 2.191 7 L HA -0.168 4.161 4.340 -0.018 0.000 0.212 7 L C 2.562 179.304 176.870 -0.213 0.000 1.103 7 L CA 1.033 55.750 54.840 -0.205 0.000 0.769 7 L CB -0.659 41.331 42.059 -0.114 0.000 0.908 7 L HN 0.274 nan 8.230 nan 0.000 0.438 8 E N 0.991 121.115 120.200 -0.126 0.000 2.085 8 E HA -0.213 4.127 4.350 -0.018 0.000 0.194 8 E C 2.081 178.603 176.600 -0.130 0.000 0.994 8 E CA 1.354 57.688 56.400 -0.111 0.000 0.801 8 E CB -0.020 29.637 29.700 -0.071 0.000 0.743 8 E HN 0.568 nan 8.360 nan 0.000 0.453 9 K N 0.201 120.522 120.400 -0.131 0.000 2.243 9 K HA 0.110 4.419 4.320 -0.018 0.000 0.201 9 K C 2.114 178.599 176.600 -0.192 0.000 1.051 9 K CA 0.666 56.880 56.287 -0.122 0.000 0.970 9 K CB 0.088 32.544 32.500 -0.073 0.000 0.755 9 K HN -0.009 nan 8.250 nan 0.000 0.465 10 A N 1.929 124.547 122.820 -0.338 0.000 1.877 10 A HA -0.119 4.190 4.320 -0.018 0.000 0.216 10 A C 2.110 179.451 177.584 -0.404 0.000 1.186 10 A CA 1.138 52.833 52.037 -0.569 0.000 0.620 10 A CB -0.768 17.467 19.000 -1.275 0.000 0.822 10 A HN 0.159 nan 8.150 nan 0.000 0.443 11 L N -0.688 120.333 121.223 -0.338 0.000 2.137 11 L HA -0.277 4.052 4.340 -0.018 0.000 0.213 11 L C 2.495 179.259 176.870 -0.177 0.000 1.085 11 L CA 1.923 56.618 54.840 -0.241 0.000 0.760 11 L CB -0.519 41.428 42.059 -0.188 0.000 0.893 11 L HN 0.572 nan 8.230 nan 0.000 0.434 12 E N 0.058 120.166 120.200 -0.154 0.000 2.409 12 E HA -0.144 4.196 4.350 -0.018 0.000 0.198 12 E C 1.957 178.508 176.600 -0.083 0.000 1.024 12 E CA 0.548 56.886 56.400 -0.103 0.000 0.861 12 E CB 0.180 29.831 29.700 -0.082 0.000 0.788 12 E HN 0.528 nan 8.360 nan 0.000 0.521 13 L N -0.919 120.244 121.223 -0.101 0.000 2.575 13 L HA 0.087 4.416 4.340 -0.018 0.000 0.228 13 L C 2.004 178.840 176.870 -0.056 0.000 1.075 13 L CA 0.099 54.906 54.840 -0.055 0.000 0.867 13 L CB 0.488 42.531 42.059 -0.026 0.000 1.097 13 L HN 0.101 nan 8.230 nan 0.000 0.485 14 V N -3.106 116.746 119.914 -0.104 0.000 2.949 14 V HA 0.202 4.312 4.120 -0.018 0.000 0.245 14 V C 1.163 177.171 176.094 -0.144 0.000 1.086 14 V CA 0.012 62.248 62.300 -0.107 0.000 1.097 14 V CB -0.045 31.700 31.823 -0.130 0.000 0.762 14 V HN 0.074 nan 8.190 nan 0.000 0.470 15 I N 2.817 123.290 120.570 -0.161 0.000 2.416 15 I HA 0.347 4.506 4.170 -0.018 0.000 0.288 15 I C -2.411 173.604 176.117 -0.170 0.000 1.051 15 I CA -1.888 59.290 61.300 -0.202 0.000 1.375 15 I CB 1.061 38.953 38.000 -0.180 0.000 1.407 15 I HN 0.090 nan 8.210 nan 0.000 0.516 16 P HA 0.031 nan 4.420 nan 0.000 0.271 16 P C -0.939 176.332 177.300 -0.049 0.000 1.233 16 P CA -0.325 62.714 63.100 -0.102 0.000 0.764 16 P CB 0.226 31.839 31.700 -0.146 0.000 0.825 17 D N 1.987 122.390 120.400 0.005 0.000 2.349 17 D HA -0.073 4.556 4.640 -0.018 0.000 0.239 17 D C 0.982 177.306 176.300 0.039 0.000 1.315 17 D CA -0.023 53.983 54.000 0.011 0.000 0.937 17 D CB 0.244 41.057 40.800 0.021 0.000 1.133 17 D HN 0.381 nan 8.370 nan 0.000 0.489 18 E N -0.495 119.724 120.200 0.033 0.000 2.118 18 E HA -0.181 4.158 4.350 -0.018 0.000 0.195 18 E C 1.550 178.195 176.600 0.075 0.000 0.992 18 E CA 1.112 57.542 56.400 0.049 0.000 0.804 18 E CB -0.019 29.700 29.700 0.032 0.000 0.741 18 E HN 0.505 nan 8.360 nan 0.000 0.458 19 E N 0.704 120.947 120.200 0.070 0.000 2.347 19 E HA -0.146 4.194 4.350 -0.018 0.000 0.196 19 E C 1.538 178.202 176.600 0.106 0.000 1.008 19 E CA 0.623 57.068 56.400 0.075 0.000 0.852 19 E CB -0.097 29.638 29.700 0.058 0.000 0.783 19 E HN 0.412 nan 8.360 nan 0.000 0.505 20 E N 0.689 120.975 120.200 0.144 0.000 2.216 20 E HA -0.019 4.321 4.350 -0.018 0.000 0.192 20 E C 1.918 178.715 176.600 0.328 0.000 0.973 20 E CA 0.210 56.738 56.400 0.213 0.000 0.851 20 E CB 0.485 30.333 29.700 0.247 0.000 0.804 20 E HN 0.005 nan 8.360 nan 0.000 0.477 21 V N 1.367 121.481 119.914 0.333 0.000 2.379 21 V HA -0.189 3.921 4.120 -0.018 0.000 0.245 21 V C 2.533 178.808 176.094 0.301 0.000 1.044 21 V CA 1.836 64.401 62.300 0.442 0.000 1.036 21 V CB -0.487 31.490 31.823 0.256 0.000 0.664 21 V HN 0.224 nan 8.190 nan 0.000 0.453 22 R N 0.665 121.276 120.500 0.185 0.000 2.082 22 R HA -0.232 4.098 4.340 -0.018 0.000 0.228 22 R C 2.475 178.841 176.300 0.110 0.000 1.140 22 R CA 2.278 58.454 56.100 0.127 0.000 0.920 22 R CB -0.450 29.902 30.300 0.087 0.000 0.828 22 R HN 0.413 nan 8.270 nan 0.000 0.430 23 K N -0.593 119.863 120.400 0.093 0.000 2.242 23 K HA -0.180 4.129 4.320 -0.018 0.000 0.206 23 K C 1.762 178.378 176.600 0.025 0.000 1.045 23 K CA 1.900 58.220 56.287 0.055 0.000 0.930 23 K CB -0.374 32.160 32.500 0.055 0.000 0.726 23 K HN 0.439 nan 8.250 nan 0.000 0.462 24 G N 0.644 109.480 108.800 0.061 0.000 2.396 24 G HA2 -0.175 3.775 3.960 -0.018 0.000 0.214 24 G HA3 -0.175 3.775 3.960 -0.018 0.000 0.214 24 G C 1.378 176.296 174.900 0.031 0.000 1.166 24 G CA 0.069 45.153 45.100 -0.027 0.000 0.793 24 G HN 0.159 nan 8.290 nan 0.000 0.533 25 R N 0.704 121.300 120.500 0.161 0.000 2.083 25 R HA -0.070 4.259 4.340 -0.018 0.000 0.237 25 R C 2.368 178.702 176.300 0.056 0.000 1.137 25 R CA 1.436 57.625 56.100 0.149 0.000 0.951 25 R CB -0.712 29.667 30.300 0.131 0.000 0.851 25 R HN 0.462 nan 8.270 nan 0.000 0.434 26 E N 0.334 120.555 120.200 0.035 0.000 2.153 26 E HA -0.138 4.201 4.350 -0.018 0.000 0.194 26 E C 1.942 178.533 176.600 -0.014 0.000 0.988 26 E CA 1.198 57.604 56.400 0.011 0.000 0.811 26 E CB -0.044 29.663 29.700 0.012 0.000 0.746 26 E HN 0.368 nan 8.360 nan 0.000 0.466 27 A N 1.335 124.130 122.820 -0.041 0.000 1.841 27 A HA -0.254 4.056 4.320 -0.018 0.000 0.214 27 A C 2.121 179.670 177.584 -0.059 0.000 1.195 27 A CA 1.614 53.606 52.037 -0.076 0.000 0.611 27 A CB -0.613 18.300 19.000 -0.145 0.000 0.835 27 A HN 0.326 nan 8.150 nan 0.000 0.443 28 E N -0.097 120.062 120.200 -0.068 0.000 2.070 28 E HA -0.334 4.006 4.350 -0.018 0.000 0.197 28 E C 1.889 178.473 176.600 -0.026 0.000 1.004 28 E CA 1.912 58.305 56.400 -0.011 0.000 0.805 28 E CB -0.245 29.448 29.700 -0.011 0.000 0.744 28 E HN 0.569 nan 8.360 nan 0.000 0.451 29 E N 0.935 121.121 120.200 -0.023 0.000 2.026 29 E HA -0.289 4.050 4.350 -0.018 0.000 0.206 29 E C 1.974 178.567 176.600 -0.011 0.000 1.028 29 E CA 2.137 58.526 56.400 -0.018 0.000 0.845 29 E CB -0.445 29.252 29.700 -0.004 0.000 0.772 29 E HN 0.312 nan 8.360 nan 0.000 0.462 30 E N -0.300 119.892 120.200 -0.013 0.000 2.085 30 E HA -0.182 4.158 4.350 -0.018 0.000 0.194 30 E C 1.982 178.568 176.600 -0.023 0.000 0.994 30 E CA 1.309 57.699 56.400 -0.016 0.000 0.801 30 E CB -0.642 29.046 29.700 -0.021 0.000 0.743 30 E HN 0.354 nan 8.360 nan 0.000 0.453 31 L N 0.690 121.901 121.223 -0.020 0.000 2.083 31 L HA -0.094 4.236 4.340 -0.018 0.000 0.209 31 L C 2.156 178.998 176.870 -0.047 0.000 1.083 31 L CA 1.718 56.539 54.840 -0.031 0.000 0.752 31 L CB -0.495 41.568 42.059 0.007 0.000 0.899 31 L HN 0.055 nan 8.230 nan 0.000 0.433 32 R N -0.207 120.295 120.500 0.002 0.000 2.070 32 R HA -0.123 4.206 4.340 -0.018 0.000 0.233 32 R C 2.304 178.606 176.300 0.003 0.000 1.137 32 R CA 1.767 57.861 56.100 -0.009 0.000 0.945 32 R CB -0.434 29.878 30.300 0.021 0.000 0.845 32 R HN 0.476 nan 8.270 nan 0.000 0.430 33 R N 0.329 120.834 120.500 0.008 0.000 2.080 33 R HA -0.118 4.211 4.340 -0.018 0.000 0.236 33 R C 2.393 178.696 176.300 0.004 0.000 1.137 33 R CA 1.435 57.545 56.100 0.017 0.000 0.943 33 R CB -0.456 29.849 30.300 0.007 0.000 0.846 33 R HN 0.264 nan 8.270 nan 0.000 0.431 34 R N 0.805 121.290 120.500 -0.024 0.000 2.103 34 R HA -0.159 4.170 4.340 -0.018 0.000 0.242 34 R C 2.449 178.730 176.300 -0.033 0.000 1.142 34 R CA 1.514 57.594 56.100 -0.033 0.000 0.960 34 R CB -0.628 29.639 30.300 -0.055 0.000 0.858 34 R HN 0.232 nan 8.270 nan 0.000 0.439 35 L N 0.587 121.769 121.223 -0.068 0.000 2.093 35 L HA -0.185 4.144 4.340 -0.018 0.000 0.208 35 L C 1.847 178.780 176.870 0.106 0.000 1.085 35 L CA 1.121 55.934 54.840 -0.045 0.000 0.755 35 L CB -0.390 41.475 42.059 -0.323 0.000 0.904 35 L HN 0.140 nan 8.230 nan 0.000 0.435 36 D N -0.372 120.106 120.400 0.129 0.000 2.144 36 D HA -0.196 4.434 4.640 -0.018 0.000 0.200 36 D C 2.038 178.380 176.300 0.070 0.000 0.978 36 D CA 0.963 55.044 54.000 0.135 0.000 0.833 36 D CB 0.018 40.890 40.800 0.119 0.000 0.961 36 D HN 0.200 nan 8.370 nan 0.000 0.470 37 E N 0.280 120.506 120.200 0.043 0.000 2.347 37 E HA -0.020 4.319 4.350 -0.018 0.000 0.196 37 E C 1.605 178.219 176.600 0.023 0.000 1.008 37 E CA 0.385 56.800 56.400 0.026 0.000 0.852 37 E CB -0.097 29.610 29.700 0.013 0.000 0.783 37 E HN 0.274 nan 8.360 nan 0.000 0.505 38 L N -1.199 120.040 121.223 0.028 0.000 2.640 38 L HA 0.349 4.679 4.340 -0.018 0.000 0.230 38 L C 0.989 177.881 176.870 0.036 0.000 1.123 38 L CA 0.060 54.913 54.840 0.023 0.000 0.900 38 L CB -0.137 41.929 42.059 0.012 0.000 1.146 38 L HN 0.197 nan 8.230 nan 0.000 0.484 39 G N 2.108 110.939 108.800 0.051 0.000 2.352 39 G HA2 -0.209 3.740 3.960 -0.018 0.000 0.283 39 G HA3 -0.209 3.740 3.960 -0.018 0.000 0.283 39 G C -0.269 174.660 174.900 0.049 0.000 0.946 39 G CA 0.071 45.202 45.100 0.051 0.000 1.317 39 G HN 0.121 nan 8.290 nan 0.000 0.478 40 V N 0.774 120.747 119.914 0.098 0.000 2.581 40 V HA 0.456 4.566 4.120 -0.018 0.000 0.303 40 V C 0.567 176.703 176.094 0.071 0.000 1.041 40 V CA -0.994 61.351 62.300 0.075 0.000 0.907 40 V CB 2.116 33.990 31.823 0.086 0.000 0.994 40 V HN 0.531 nan 8.190 nan 0.000 0.442 41 E N 3.192 123.340 120.200 -0.086 0.000 2.052 41 E HA 0.399 4.738 4.350 -0.018 0.000 0.283 41 E C -1.430 175.072 176.600 -0.164 0.000 1.071 41 E CA -0.198 56.084 56.400 -0.198 0.000 0.851 41 E CB 0.544 30.114 29.700 -0.217 0.000 1.066 41 E HN 0.664 nan 8.360 nan 0.000 0.396 42 Y N 0.906 121.145 120.300 -0.103 0.000 2.698 42 Y HA 0.769 5.308 4.550 -0.018 0.000 0.332 42 Y C -1.218 174.681 175.900 -0.002 0.000 1.119 42 Y CA -1.358 56.692 58.100 -0.083 0.000 1.109 42 Y CB 1.241 39.661 38.460 -0.068 0.000 1.308 42 Y HN 0.078 nan 8.280 nan 0.000 0.499 43 V N 1.770 121.842 119.914 0.262 0.000 2.775 43 V HA 0.405 4.515 4.120 -0.018 0.000 0.295 43 V C -1.928 174.292 176.094 0.211 0.000 1.226 43 V CA -0.934 61.501 62.300 0.225 0.000 0.934 43 V CB 1.071 32.919 31.823 0.041 0.000 1.056 43 V HN 0.668 nan 8.190 nan 0.000 0.436 44 F N 6.563 126.551 119.950 0.063 0.000 2.504 44 F HA 0.595 5.111 4.527 -0.018 0.000 0.369 44 F C 0.718 176.329 175.800 -0.315 0.000 1.082 44 F CA 0.530 58.517 58.000 -0.023 0.000 1.216 44 F CB 1.387 40.432 39.000 0.075 0.000 1.108 44 F HN 0.555 nan 8.300 nan 0.000 0.554 45 V N 0.160 119.910 119.914 -0.273 0.000 3.105 45 V HA 1.046 5.156 4.120 -0.018 0.000 0.311 45 V C 0.266 176.229 176.094 -0.219 0.000 1.282 45 V CA -0.680 61.250 62.300 -0.616 0.000 1.065 45 V CB 0.908 32.293 31.823 -0.729 0.000 1.136 45 V HN 1.302 nan 8.190 nan 0.000 0.469 46 G N 0.511 109.242 108.800 -0.116 0.000 2.860 46 G HA2 -0.086 3.864 3.960 -0.018 0.000 0.553 46 G HA3 -0.086 3.864 3.960 -0.018 0.000 0.553 46 G C 0.741 175.757 174.900 0.193 0.000 1.439 46 G CA 0.663 45.804 45.100 0.069 0.000 0.879 46 G HN 2.460 nan 8.290 nan 0.000 0.545 47 S N -1.173 114.676 115.700 0.248 0.000 2.440 47 S HA -0.240 4.220 4.470 -0.018 0.000 0.240 47 S C 1.891 176.719 174.600 0.380 0.000 1.014 47 S CA 2.319 60.711 58.200 0.320 0.000 0.980 47 S CB -0.316 63.104 63.200 0.367 0.000 0.775 47 S HN 1.420 nan 8.310 nan 0.000 0.499 48 Y N 2.488 122.916 120.300 0.213 0.000 2.184 48 Y HA 0.165 4.704 4.550 -0.017 0.000 0.290 48 Y C 2.632 178.673 175.900 0.234 0.000 1.129 48 Y CA 0.778 58.970 58.100 0.153 0.000 1.144 48 Y CB -1.006 37.411 38.460 -0.071 0.000 0.995 48 Y HN 0.304 nan 8.280 nan 0.000 0.513 49 A N 0.615 123.544 122.820 0.180 0.000 1.940 49 A HA -0.171 4.139 4.320 -0.018 0.000 0.219 49 A C 2.019 179.683 177.584 0.133 0.000 1.176 49 A CA 1.724 53.847 52.037 0.143 0.000 0.631 49 A CB -0.503 18.610 19.000 0.188 0.000 0.814 49 A HN 0.524 nan 8.150 nan 0.000 0.446 50 R N -0.321 120.300 120.500 0.201 0.000 2.480 50 R HA 0.110 4.440 4.340 -0.018 0.000 0.277 50 R C -0.345 176.029 176.300 0.123 0.000 1.008 50 R CA -0.008 56.194 56.100 0.169 0.000 1.090 50 R CB -0.059 30.367 30.300 0.211 0.000 1.234 50 R HN 0.481 nan 8.270 nan 0.000 0.549 51 N N 1.220 119.992 118.700 0.120 0.000 2.693 51 N HA -0.166 4.564 4.740 -0.018 0.000 0.250 51 N C 0.195 175.739 175.510 0.058 0.000 1.033 51 N CA 1.861 54.986 53.050 0.124 0.000 0.747 51 N CB -0.979 37.503 38.487 -0.008 0.000 0.964 51 N HN 0.437 nan 8.380 nan 0.000 0.540 52 T N -4.211 110.453 114.554 0.184 0.000 3.176 52 T HA 0.230 4.569 4.350 -0.018 0.000 0.263 52 T C 0.360 175.175 174.700 0.191 0.000 1.021 52 T CA -0.793 61.385 62.100 0.131 0.000 0.905 52 T CB -0.496 68.475 68.868 0.173 0.000 1.057 52 T HN 0.414 nan 8.240 nan 0.000 0.558 53 W N 1.480 122.831 121.300 0.086 0.000 2.261 53 W HA 0.690 5.340 4.660 -0.016 0.000 0.323 53 W C -0.623 175.937 176.519 0.068 0.000 1.243 53 W CA -2.013 55.397 57.345 0.108 0.000 1.210 53 W CB 0.403 29.959 29.460 0.159 0.000 1.149 53 W HN -0.045 nan 8.180 nan 0.000 0.562 54 L N 5.231 126.550 121.223 0.159 0.000 2.416 54 L HA 0.146 4.476 4.340 -0.018 0.000 0.272 54 L C 0.961 177.875 176.870 0.074 0.000 1.161 54 L CA -0.433 54.414 54.840 0.011 0.000 0.845 54 L CB 0.381 42.438 42.059 -0.003 0.000 1.119 54 L HN 0.636 nan 8.230 nan 0.000 0.464 55 K N 4.241 124.613 120.400 -0.048 0.000 2.404 55 K HA 0.075 4.384 4.320 -0.018 0.000 0.271 55 K C 0.835 177.521 176.600 0.143 0.000 1.130 55 K CA 1.082 57.385 56.287 0.026 0.000 1.181 55 K CB -0.567 31.920 32.500 -0.022 0.000 0.840 55 K HN 0.971 nan 8.250 nan 0.000 0.483 56 G N 2.617 111.570 108.800 0.255 0.000 2.176 56 G HA2 -0.204 3.745 3.960 -0.018 0.000 0.232 56 G HA3 -0.204 3.745 3.960 -0.018 0.000 0.232 56 G C 0.159 175.191 174.900 0.220 0.000 0.986 56 G CA 0.172 45.398 45.100 0.210 0.000 0.643 56 G HN 0.556 nan 8.290 nan 0.000 0.522 57 S N 0.088 115.978 115.700 0.315 0.000 2.661 57 S HA 0.401 4.860 4.470 -0.018 0.000 0.245 57 S C 0.184 174.904 174.600 0.200 0.000 1.117 57 S CA -0.401 57.952 58.200 0.255 0.000 1.091 57 S CB 0.601 63.965 63.200 0.274 0.000 0.887 57 S HN 0.658 nan 8.310 nan 0.000 0.491 58 L N 3.397 124.670 121.223 0.083 0.000 2.597 58 L HA 0.276 4.606 4.340 -0.018 0.000 0.271 58 L C 0.136 176.883 176.870 -0.205 0.000 1.157 58 L CA 1.081 55.742 54.840 -0.298 0.000 0.928 58 L CB -0.254 41.662 42.059 -0.239 0.000 1.216 58 L HN 0.265 nan 8.230 nan 0.000 0.481 59 E N 5.144 125.209 120.200 -0.225 0.000 2.294 59 E HA 0.333 4.673 4.350 -0.018 0.000 0.272 59 E C -1.240 175.269 176.600 -0.151 0.000 0.896 59 E CA -0.552 55.771 56.400 -0.127 0.000 0.802 59 E CB 1.181 30.893 29.700 0.021 0.000 1.267 59 E HN 0.589 nan 8.360 nan 0.000 0.406 60 I N 3.485 123.907 120.570 -0.248 0.000 2.395 60 I HA 0.191 4.350 4.170 -0.018 0.000 0.289 60 I C -0.265 175.761 176.117 -0.151 0.000 1.023 60 I CA -0.175 60.985 61.300 -0.233 0.000 1.350 60 I CB 0.860 38.638 38.000 -0.370 0.000 1.409 60 I HN 0.306 nan 8.210 nan 0.000 0.507 61 D N 7.015 127.368 120.400 -0.078 0.000 2.414 61 D HA 0.271 4.900 4.640 -0.018 0.000 0.232 61 D C -0.762 175.443 176.300 -0.159 0.000 1.070 61 D CA -0.209 53.757 54.000 -0.056 0.000 0.839 61 D CB 2.529 43.361 40.800 0.053 0.000 1.079 61 D HN 0.094 nan 8.370 nan 0.000 0.521 62 V N 3.841 123.617 119.914 -0.230 0.000 2.328 62 V HA 0.249 4.359 4.120 -0.018 0.000 0.278 62 V C -0.330 175.761 176.094 -0.005 0.000 1.021 62 V CA -0.658 61.438 62.300 -0.341 0.000 0.838 62 V CB 0.438 31.890 31.823 -0.619 0.000 0.999 62 V HN 0.323 nan 8.190 nan 0.000 0.447 63 F N 5.045 124.862 119.950 -0.222 0.000 2.411 63 F HA 0.524 5.041 4.527 -0.017 0.000 0.350 63 F C 0.322 176.033 175.800 -0.149 0.000 1.114 63 F CA -1.051 56.855 58.000 -0.157 0.000 1.135 63 F CB 1.334 40.254 39.000 -0.133 0.000 1.120 63 F HN 0.240 nan 8.300 nan 0.000 0.495 64 L N 5.434 126.583 121.223 -0.123 0.000 2.260 64 L HA 0.283 4.613 4.340 -0.018 0.000 0.289 64 L C -0.636 175.949 176.870 -0.475 0.000 1.057 64 L CA -0.811 53.843 54.840 -0.311 0.000 0.811 64 L CB 0.588 42.392 42.059 -0.426 0.000 1.184 64 L HN 0.240 nan 8.230 nan 0.000 0.429 65 L N 4.207 125.177 121.223 -0.421 0.000 2.360 65 L HA 0.357 4.687 4.340 -0.018 0.000 0.276 65 L C -0.185 176.334 176.870 -0.586 0.000 1.121 65 L CA 0.523 55.151 54.840 -0.354 0.000 0.845 65 L CB 0.075 42.008 42.059 -0.209 0.000 1.143 65 L HN 0.351 nan 8.230 nan 0.000 0.452 66 F N 3.697 123.513 119.950 -0.224 0.000 2.522 66 F HA 0.529 5.046 4.527 -0.018 0.000 0.324 66 F C -1.805 173.814 175.800 -0.303 0.000 1.077 66 F CA -2.595 55.166 58.000 -0.399 0.000 0.944 66 F CB 1.274 39.961 39.000 -0.521 0.000 1.175 66 F HN 0.336 nan 8.300 nan 0.000 0.468 67 P HA -0.011 nan 4.420 nan 0.000 0.266 67 P C 0.710 178.147 177.300 0.228 0.000 1.195 67 P CA 0.329 63.383 63.100 -0.077 0.000 0.768 67 P CB 0.607 32.214 31.700 -0.155 0.000 0.838 68 E N 1.920 122.256 120.200 0.227 0.000 2.130 68 E HA -0.279 4.060 4.350 -0.018 0.000 0.196 68 E C 0.798 177.511 176.600 0.187 0.000 0.998 68 E CA 1.490 58.004 56.400 0.191 0.000 0.806 68 E CB 0.068 29.811 29.700 0.072 0.000 0.738 68 E HN 0.436 nan 8.360 nan 0.000 0.459 69 E N -0.395 119.965 120.200 0.267 0.000 2.418 69 E HA -0.023 4.316 4.350 -0.018 0.000 0.197 69 E C -0.164 176.656 176.600 0.366 0.000 1.026 69 E CA 0.139 56.692 56.400 0.256 0.000 0.862 69 E CB -0.079 29.747 29.700 0.210 0.000 0.799 69 E HN 0.136 nan 8.360 nan 0.000 0.518 70 F N 1.389 121.462 119.950 0.205 0.000 2.545 70 F HA 0.041 4.557 4.527 -0.017 0.000 0.348 70 F C 1.325 177.237 175.800 0.187 0.000 1.163 70 F CA -0.958 57.127 58.000 0.142 0.000 1.331 70 F CB 0.359 39.383 39.000 0.040 0.000 1.138 70 F HN -0.193 nan 8.300 nan 0.000 0.602 71 S N 2.406 118.196 115.700 0.149 0.000 2.617 71 S HA 0.225 4.685 4.470 -0.018 0.000 0.269 71 S C 1.069 175.718 174.600 0.082 0.000 1.292 71 S CA -0.484 57.778 58.200 0.102 0.000 1.010 71 S CB 1.144 64.340 63.200 -0.007 0.000 0.944 71 S HN 0.751 nan 8.310 nan 0.000 0.536 72 K N 0.957 121.404 120.400 0.078 0.000 2.063 72 K HA -0.211 4.099 4.320 -0.018 0.000 0.208 72 K C 1.298 177.831 176.600 -0.111 0.000 1.048 72 K CA 1.866 58.131 56.287 -0.037 0.000 0.928 72 K CB -0.542 31.940 32.500 -0.030 0.000 0.713 72 K HN 0.633 nan 8.250 nan 0.000 0.442 73 E N 1.353 121.516 120.200 -0.061 0.000 2.070 73 E HA -0.193 4.147 4.350 -0.018 0.000 0.197 73 E C 2.145 178.675 176.600 -0.116 0.000 1.004 73 E CA 1.541 57.900 56.400 -0.069 0.000 0.805 73 E CB -0.198 29.475 29.700 -0.045 0.000 0.744 73 E HN 0.354 nan 8.360 nan 0.000 0.451 74 E N 0.090 120.207 120.200 -0.137 0.000 2.077 74 E HA -0.154 4.185 4.350 -0.018 0.000 0.193 74 E C 2.062 178.485 176.600 -0.296 0.000 0.989 74 E CA 0.668 56.962 56.400 -0.177 0.000 0.800 74 E CB -0.165 29.417 29.700 -0.196 0.000 0.746 74 E HN 0.159 nan 8.360 nan 0.000 0.452 75 L N 1.062 122.032 121.223 -0.420 0.000 2.013 75 L HA -0.239 4.090 4.340 -0.018 0.000 0.212 75 L C 2.583 179.204 176.870 -0.414 0.000 1.073 75 L CA 2.075 56.470 54.840 -0.743 0.000 0.753 75 L CB -0.671 40.995 42.059 -0.654 0.000 0.890 75 L HN 0.172 nan 8.230 nan 0.000 0.432 76 R N -0.619 119.738 120.500 -0.238 0.000 2.062 76 R HA -0.102 4.228 4.340 -0.018 0.000 0.229 76 R C 1.987 178.227 176.300 -0.099 0.000 1.128 76 R CA 1.384 57.406 56.100 -0.131 0.000 0.960 76 R CB -0.802 29.450 30.300 -0.080 0.000 0.855 76 R HN 0.332 nan 8.270 nan 0.000 0.432 77 E N 0.376 120.515 120.200 -0.102 0.000 2.058 77 E HA -0.127 4.213 4.350 -0.018 0.000 0.194 77 E C 2.214 178.781 176.600 -0.055 0.000 0.997 77 E CA 1.142 57.500 56.400 -0.070 0.000 0.801 77 E CB 0.006 29.665 29.700 -0.068 0.000 0.746 77 E HN 0.267 nan 8.360 nan 0.000 0.450 78 R N -0.053 120.407 120.500 -0.066 0.000 2.115 78 R HA -0.013 4.316 4.340 -0.018 0.000 0.226 78 R C 2.314 178.668 176.300 0.089 0.000 1.100 78 R CA 1.036 57.151 56.100 0.025 0.000 0.980 78 R CB -0.730 29.619 30.300 0.082 0.000 0.875 78 R HN 0.249 nan 8.270 nan 0.000 0.445 79 G N 1.346 110.182 108.800 0.060 0.000 2.403 79 G HA2 -0.205 3.744 3.960 -0.018 0.000 0.216 79 G HA3 -0.205 3.744 3.960 -0.018 0.000 0.216 79 G C 1.429 176.333 174.900 0.006 0.000 1.154 79 G CA 0.202 45.359 45.100 0.095 0.000 0.784 79 G HN 0.225 nan 8.290 nan 0.000 0.538 80 L N 0.597 121.802 121.223 -0.031 0.000 2.093 80 L HA 0.118 4.448 4.340 -0.018 0.000 0.208 80 L C 2.470 179.280 176.870 -0.100 0.000 1.085 80 L CA 2.135 56.938 54.840 -0.063 0.000 0.755 80 L CB -0.560 41.465 42.059 -0.057 0.000 0.904 80 L HN 0.211 nan 8.230 nan 0.000 0.435 81 E N -0.042 120.117 120.200 -0.067 0.000 2.051 81 E HA -0.181 4.159 4.350 -0.018 0.000 0.192 81 E C 2.120 178.673 176.600 -0.080 0.000 0.991 81 E CA 1.972 58.326 56.400 -0.076 0.000 0.799 81 E CB -0.304 29.377 29.700 -0.032 0.000 0.748 81 E HN 0.601 nan 8.360 nan 0.000 0.449 82 I N -0.315 120.234 120.570 -0.036 0.000 2.142 82 I HA -0.185 3.975 4.170 -0.018 0.000 0.240 82 I C 2.394 178.464 176.117 -0.079 0.000 1.078 82 I CA 1.256 62.533 61.300 -0.038 0.000 1.343 82 I CB -0.711 37.289 38.000 -0.000 0.000 1.046 82 I HN 0.236 nan 8.210 nan 0.000 0.405 83 G N 0.851 109.603 108.800 -0.080 0.000 2.442 83 G HA2 -0.308 3.641 3.960 -0.018 0.000 0.219 83 G HA3 -0.308 3.641 3.960 -0.018 0.000 0.219 83 G C 1.696 176.513 174.900 -0.137 0.000 1.141 83 G CA 0.975 46.021 45.100 -0.091 0.000 0.763 83 G HN 0.326 nan 8.290 nan 0.000 0.554 84 K N 0.536 120.794 120.400 -0.237 0.000 1.985 84 K HA 0.022 4.332 4.320 -0.018 0.000 0.210 84 K C 2.708 179.164 176.600 -0.240 0.000 1.047 84 K CA 1.377 57.413 56.287 -0.418 0.000 0.932 84 K CB -0.365 31.833 32.500 -0.503 0.000 0.716 84 K HN 0.192 nan 8.250 nan 0.000 0.439 85 A N 0.452 123.176 122.820 -0.160 0.000 2.168 85 A HA -0.036 4.274 4.320 -0.018 0.000 0.215 85 A C 1.789 179.327 177.584 -0.077 0.000 1.152 85 A CA 1.091 53.068 52.037 -0.101 0.000 0.716 85 A CB 0.011 18.966 19.000 -0.074 0.000 0.794 85 A HN 0.272 nan 8.150 nan 0.000 0.465 86 V N -0.641 119.222 119.914 -0.085 0.000 3.578 86 V HA 0.374 4.483 4.120 -0.018 0.000 0.290 86 V C -0.104 175.948 176.094 -0.070 0.000 1.376 86 V CA 0.159 62.412 62.300 -0.078 0.000 1.083 86 V CB -0.203 31.560 31.823 -0.099 0.000 0.911 86 V HN 0.390 nan 8.190 nan 0.000 0.433 87 L N 0.306 121.498 121.223 -0.051 0.000 2.341 87 L HA 0.520 4.849 4.340 -0.018 0.000 0.278 87 L C 0.889 177.767 176.870 0.012 0.000 1.005 87 L CA -0.696 54.131 54.840 -0.022 0.000 0.818 87 L CB 1.682 43.748 42.059 0.012 0.000 1.259 87 L HN 0.014 nan 8.230 nan 0.000 0.418 88 D N 0.779 121.179 120.400 -0.000 0.000 2.126 88 D HA -0.119 4.510 4.640 -0.018 0.000 0.190 88 D C 0.105 176.431 176.300 0.044 0.000 1.001 88 D CA 1.615 55.623 54.000 0.012 0.000 0.841 88 D CB 0.191 40.990 40.800 -0.003 0.000 0.949 88 D HN 0.433 nan 8.370 nan 0.000 0.446 89 S N -1.167 114.563 115.700 0.051 0.000 2.557 89 S HA 0.511 4.971 4.470 -0.018 0.000 0.291 89 S C -0.873 173.795 174.600 0.113 0.000 1.116 89 S CA -0.993 57.248 58.200 0.067 0.000 0.992 89 S CB 1.726 64.937 63.200 0.019 0.000 1.028 89 S HN 0.292 nan 8.310 nan 0.000 0.484 90 Y N 0.226 120.517 120.300 -0.016 0.000 2.499 90 Y HA 0.834 5.373 4.550 -0.018 0.000 0.347 90 Y C -0.735 175.162 175.900 -0.004 0.000 0.987 90 Y CA -0.806 57.283 58.100 -0.018 0.000 1.044 90 Y CB 1.426 39.866 38.460 -0.033 0.000 1.245 90 Y HN 0.678 nan 8.280 nan 0.000 0.461 91 E N 4.250 124.381 120.200 -0.116 0.000 2.304 91 E HA 0.405 4.744 4.350 -0.018 0.000 0.277 91 E C -1.773 174.781 176.600 -0.077 0.000 0.898 91 E CA -0.835 55.443 56.400 -0.203 0.000 0.764 91 E CB 1.856 31.498 29.700 -0.096 0.000 1.216 91 E HN 0.885 nan 8.360 nan 0.000 0.419 92 I N 4.069 124.571 120.570 -0.112 0.000 2.322 92 I HA 0.255 4.414 4.170 -0.018 0.000 0.292 92 I C 0.480 176.385 176.117 -0.354 0.000 1.060 92 I CA -0.168 61.008 61.300 -0.208 0.000 1.309 92 I CB 0.584 38.493 38.000 -0.152 0.000 1.415 92 I HN 0.365 nan 8.210 nan 0.000 0.492 93 R N 5.121 125.229 120.500 -0.654 0.000 2.705 93 R HA 0.653 4.982 4.340 -0.018 0.000 0.246 93 R C -1.541 174.161 176.300 -0.995 0.000 1.142 93 R CA -0.369 55.315 56.100 -0.694 0.000 1.114 93 R CB 1.066 30.845 30.300 -0.868 0.000 1.256 93 R HN 0.314 nan 8.270 nan 0.000 0.536 94 Y N -1.215 118.886 120.300 -0.332 0.000 2.588 94 Y HA 0.726 5.265 4.550 -0.018 0.000 0.343 94 Y C 0.031 176.023 175.900 0.153 0.000 1.065 94 Y CA -0.273 57.785 58.100 -0.070 0.000 1.038 94 Y CB 2.263 40.703 38.460 -0.033 0.000 1.297 94 Y HN 0.715 nan 8.280 nan 0.000 0.467 95 A N 0.465 123.495 122.820 0.351 0.000 5.810 95 A HA 0.316 4.625 4.320 -0.018 0.000 0.151 95 A C 0.828 178.505 177.584 0.156 0.000 0.903 95 A CA 0.034 52.225 52.037 0.258 0.000 1.207 95 A CB -0.076 19.094 19.000 0.285 0.000 2.339 95 A HN 0.731 nan 8.150 nan 0.000 1.102 96 E N -0.452 119.791 120.200 0.071 0.000 2.219 96 E HA -0.173 4.166 4.350 -0.018 0.000 0.198 96 E C 0.046 176.436 176.600 -0.351 0.000 0.998 96 E CA 1.489 57.817 56.400 -0.120 0.000 0.818 96 E CB -0.088 29.544 29.700 -0.113 0.000 0.741 96 E HN 0.532 nan 8.360 nan 0.000 0.477 97 H N -1.816 117.349 119.070 0.158 0.000 2.990 97 H HA 0.311 4.857 4.556 -0.018 0.000 0.343 97 H C -2.517 172.903 175.328 0.153 0.000 1.270 97 H CA -1.941 54.191 56.048 0.141 0.000 1.118 97 H CB 1.573 31.387 29.762 0.087 0.000 1.861 97 H HN 0.005 nan 8.280 nan 0.000 0.544 98 P HA 0.215 nan 4.420 nan 0.000 0.284 98 P C -1.254 175.997 177.300 -0.082 0.000 1.253 98 P CA -0.153 62.835 63.100 -0.187 0.000 0.800 98 P CB 1.078 32.599 31.700 -0.299 0.000 0.961 99 Y N -0.097 120.055 120.300 -0.246 0.000 2.644 99 Y HA 0.673 5.213 4.550 -0.017 0.000 0.338 99 Y C -1.283 174.536 175.900 -0.136 0.000 1.119 99 Y CA -1.546 56.456 58.100 -0.163 0.000 1.060 99 Y CB 0.524 38.902 38.460 -0.137 0.000 1.294 99 Y HN 0.062 nan 8.280 nan 0.000 0.472 100 V N 1.623 121.574 119.914 0.061 0.000 2.532 100 V HA 0.371 4.480 4.120 -0.018 0.000 0.295 100 V C -0.974 175.223 176.094 0.170 0.000 1.041 100 V CA -0.401 61.921 62.300 0.037 0.000 0.926 100 V CB 1.039 32.894 31.823 0.053 0.000 0.992 100 V HN 0.952 nan 8.190 nan 0.000 0.457 101 H N 1.752 120.840 119.070 0.031 0.000 2.538 101 H HA 0.787 5.332 4.556 -0.018 0.000 0.353 101 H C 0.032 175.382 175.328 0.037 0.000 1.109 101 H CA 0.430 56.521 56.048 0.072 0.000 1.192 101 H CB 1.892 31.694 29.762 0.067 0.000 1.555 101 H HN 0.866 nan 8.280 nan 0.000 0.518 102 G N 1.760 110.350 108.800 -0.350 0.000 2.772 102 G HA2 0.504 4.453 3.960 -0.018 0.000 0.284 102 G HA3 0.504 4.453 3.960 -0.018 0.000 0.284 102 G C -1.748 173.038 174.900 -0.190 0.000 1.217 102 G CA -0.320 44.703 45.100 -0.128 0.000 0.831 102 G HN 0.620 nan 8.290 nan 0.000 0.523 103 V N -0.298 119.560 119.914 -0.093 0.000 2.777 103 V HA 0.630 4.740 4.120 -0.018 0.000 0.306 103 V C -0.875 175.176 176.094 -0.071 0.000 1.112 103 V CA -0.578 61.672 62.300 -0.082 0.000 0.917 103 V CB 1.742 33.547 31.823 -0.031 0.000 1.018 103 V HN 0.651 nan 8.190 nan 0.000 0.426 104 V N 3.974 123.836 119.914 -0.087 0.000 2.588 104 V HA 0.497 4.607 4.120 -0.018 0.000 0.304 104 V C 0.399 176.455 176.094 -0.063 0.000 1.042 104 V CA -1.093 61.164 62.300 -0.073 0.000 0.877 104 V CB 1.761 33.530 31.823 -0.090 0.000 0.996 104 V HN 0.918 nan 8.190 nan 0.000 0.425 105 K N 3.280 123.655 120.400 -0.042 0.000 3.003 105 K HA -0.253 4.057 4.320 -0.018 0.000 0.257 105 K C 0.966 177.547 176.600 -0.031 0.000 0.958 105 K CA 0.787 57.055 56.287 -0.032 0.000 0.707 105 K CB -1.225 31.257 32.500 -0.030 0.000 1.279 105 K HN 1.645 nan 8.250 nan 0.000 0.479 106 G N -0.924 107.858 108.800 -0.030 0.000 2.182 106 G HA2 -0.227 3.723 3.960 -0.018 0.000 0.248 106 G HA3 -0.227 3.723 3.960 -0.018 0.000 0.248 106 G C -0.132 174.746 174.900 -0.038 0.000 1.042 106 G CA 0.140 45.226 45.100 -0.024 0.000 0.775 106 G HN 0.958 nan 8.290 nan 0.000 0.501 107 V N -3.791 116.084 119.914 -0.066 0.000 3.012 107 V HA 0.838 4.947 4.120 -0.018 0.000 0.307 107 V C -0.193 175.831 176.094 -0.116 0.000 1.166 107 V CA -1.458 60.785 62.300 -0.095 0.000 0.974 107 V CB 2.139 33.867 31.823 -0.157 0.000 1.040 107 V HN 0.175 nan 8.190 nan 0.000 0.428 108 E N 2.201 122.341 120.200 -0.101 0.000 2.384 108 E HA 0.487 4.826 4.350 -0.018 0.000 0.266 108 E C -0.618 175.846 176.600 -0.227 0.000 1.012 108 E CA 0.142 56.473 56.400 -0.114 0.000 0.901 108 E CB 1.550 31.268 29.700 0.030 0.000 0.967 108 E HN 0.698 nan 8.360 nan 0.000 0.435 109 V N 3.455 123.136 119.914 -0.388 0.000 2.808 109 V HA 0.218 4.328 4.120 -0.018 0.000 0.308 109 V C -0.644 175.213 176.094 -0.395 0.000 1.099 109 V CA -0.942 61.153 62.300 -0.342 0.000 0.920 109 V CB 2.474 34.130 31.823 -0.279 0.000 1.014 109 V HN 0.516 nan 8.190 nan 0.000 0.425 110 D N 2.664 122.944 120.400 -0.201 0.000 2.278 110 D HA 0.524 5.153 4.640 -0.018 0.000 0.245 110 D C -0.785 175.447 176.300 -0.113 0.000 1.052 110 D CA -0.178 53.781 54.000 -0.068 0.000 0.834 110 D CB 2.670 43.463 40.800 -0.012 0.000 1.194 110 D HN 0.256 nan 8.370 nan 0.000 0.481 111 V N 2.898 122.777 119.914 -0.059 0.000 2.250 111 V HA 0.172 4.282 4.120 -0.018 0.000 0.268 111 V C 0.094 176.105 176.094 -0.139 0.000 1.043 111 V CA -0.688 61.540 62.300 -0.120 0.000 0.814 111 V CB 1.288 33.054 31.823 -0.094 0.000 1.072 111 V HN 0.265 nan 8.190 nan 0.000 0.451 112 V N 6.861 126.553 119.914 -0.370 0.000 2.439 112 V HA 0.429 4.538 4.120 -0.018 0.000 0.282 112 V C -2.347 173.437 176.094 -0.518 0.000 1.039 112 V CA -1.957 59.992 62.300 -0.585 0.000 0.913 112 V CB 1.882 32.934 31.823 -1.286 0.000 0.983 112 V HN 0.599 nan 8.190 nan 0.000 0.460 113 P HA 0.577 nan 4.420 nan 0.000 0.292 113 P C -0.935 176.290 177.300 -0.125 0.000 1.283 113 P CA -0.276 62.799 63.100 -0.041 0.000 0.835 113 P CB 0.956 32.703 31.700 0.077 0.000 1.017 114 C N 1.236 120.523 119.300 -0.020 0.000 3.321 114 C HA 0.569 5.018 4.460 -0.018 0.000 0.329 114 C C -1.338 173.645 174.990 -0.012 0.000 1.394 114 C CA -1.035 57.971 59.018 -0.020 0.000 1.291 114 C CB 0.196 28.004 27.740 0.114 0.000 1.606 114 C HN 0.433 nan 8.230 nan 0.000 0.463 115 Y N 1.134 121.508 120.300 0.123 0.000 2.304 115 Y HA 0.471 5.010 4.550 -0.018 0.000 0.328 115 Y C 0.898 176.822 175.900 0.039 0.000 1.123 115 Y CA 0.046 58.205 58.100 0.098 0.000 1.218 115 Y CB 0.843 39.358 38.460 0.092 0.000 1.207 115 Y HN 0.732 nan 8.280 nan 0.000 0.495 116 K N 4.862 125.348 120.400 0.143 0.000 2.338 116 K HA 0.411 4.720 4.320 -0.018 0.000 0.290 116 K C -1.449 175.197 176.600 0.077 0.000 1.069 116 K CA 0.078 56.386 56.287 0.034 0.000 0.941 116 K CB -0.097 32.385 32.500 -0.030 0.000 1.023 116 K HN 0.690 nan 8.250 nan 0.000 0.477 117 L N 3.018 124.271 121.223 0.050 0.000 2.303 117 L HA 0.575 4.904 4.340 -0.018 0.000 0.256 117 L C -0.867 176.093 176.870 0.150 0.000 1.034 117 L CA -1.195 53.726 54.840 0.135 0.000 0.832 117 L CB 2.118 44.338 42.059 0.269 0.000 1.403 117 L HN 0.507 nan 8.230 nan 0.000 0.419 118 K N 1.082 121.638 120.400 0.261 0.000 2.482 118 K HA 0.466 4.776 4.320 -0.018 0.000 0.251 118 K C -1.682 175.121 176.600 0.338 0.000 0.936 118 K CA -0.298 56.180 56.287 0.319 0.000 0.791 118 K CB 1.346 33.944 32.500 0.164 0.000 1.213 118 K HN 0.506 nan 8.250 nan 0.000 0.428 119 E N 2.359 122.786 120.200 0.378 0.000 7.497 119 E HA -0.094 4.245 4.350 -0.018 0.000 0.252 119 E C -2.446 173.966 176.600 -0.314 0.000 0.836 119 E CA -0.033 56.372 56.400 0.010 0.000 1.569 119 E CB -0.515 29.205 29.700 0.033 0.000 0.905 119 E HN 0.579 nan 8.360 nan 0.000 0.263 120 P HA -0.240 nan 4.420 nan 0.000 0.219 120 P C 0.496 177.602 177.300 -0.324 0.000 1.153 120 P CA 1.647 64.249 63.100 -0.829 0.000 0.865 120 P CB 0.240 31.605 31.700 -0.558 0.000 0.788 121 K N -0.233 120.058 120.400 -0.182 0.000 2.344 121 K HA -0.031 4.279 4.320 -0.018 0.000 0.260 121 K C 0.939 177.514 176.600 -0.042 0.000 0.988 121 K CA 0.271 56.509 56.287 -0.082 0.000 0.909 121 K CB -0.379 32.091 32.500 -0.049 0.000 0.968 121 K HN 0.125 nan 8.250 nan 0.000 0.505 122 N N -1.054 117.635 118.700 -0.018 0.000 2.972 122 N HA -0.218 4.511 4.740 -0.018 0.000 0.225 122 N C -0.068 175.450 175.510 0.013 0.000 0.883 122 N CA 0.763 53.809 53.050 -0.006 0.000 1.010 122 N CB -1.289 37.206 38.487 0.012 0.000 1.052 122 N HN 0.567 nan 8.380 nan 0.000 0.598 123 I N 1.901 122.493 120.570 0.037 0.000 2.741 123 I HA -0.127 4.032 4.170 -0.018 0.000 0.288 123 I C 1.553 177.710 176.117 0.067 0.000 1.192 123 I CA 0.976 62.327 61.300 0.085 0.000 1.426 123 I CB 0.471 38.511 38.000 0.068 0.000 1.367 123 I HN 0.052 nan 8.210 nan 0.000 0.563 124 K N 3.174 123.632 120.400 0.097 0.000 2.348 124 K HA 0.192 4.501 4.320 -0.018 0.000 0.194 124 K C -0.016 176.686 176.600 0.169 0.000 1.052 124 K CA 0.288 56.635 56.287 0.101 0.000 1.004 124 K CB 0.444 32.982 32.500 0.063 0.000 0.873 124 K HN 0.511 nan 8.250 nan 0.000 0.523 125 S N -0.738 115.086 115.700 0.207 0.000 2.556 125 S HA 0.396 4.856 4.470 -0.018 0.000 0.271 125 S C 0.360 175.064 174.600 0.174 0.000 1.135 125 S CA -0.538 57.797 58.200 0.225 0.000 0.858 125 S CB 1.828 65.253 63.200 0.375 0.000 1.114 125 S HN 0.154 nan 8.310 nan 0.000 0.468 126 A N 1.566 124.467 122.820 0.135 0.000 1.940 126 A HA -0.171 4.139 4.320 -0.018 0.000 0.221 126 A C 2.163 179.821 177.584 0.124 0.000 1.190 126 A CA 2.611 54.711 52.037 0.105 0.000 0.647 126 A CB -1.488 17.567 19.000 0.092 0.000 0.821 126 A HN 1.435 nan 8.150 nan 0.000 0.457 127 V N -2.138 117.884 119.914 0.181 0.000 2.688 127 V HA -0.231 3.878 4.120 -0.018 0.000 0.256 127 V C 1.547 177.817 176.094 0.294 0.000 1.084 127 V CA 2.375 64.831 62.300 0.260 0.000 1.103 127 V CB -0.880 31.049 31.823 0.176 0.000 0.688 127 V HN 0.434 nan 8.190 nan 0.000 0.480 128 D N 0.468 121.006 120.400 0.229 0.000 2.194 128 D HA -0.070 4.559 4.640 -0.018 0.000 0.204 128 D C 2.278 178.711 176.300 0.223 0.000 0.964 128 D CA 1.263 55.410 54.000 0.246 0.000 0.846 128 D CB -0.181 40.782 40.800 0.273 0.000 0.962 128 D HN 0.499 nan 8.370 nan 0.000 0.490 129 R N 0.460 121.029 120.500 0.115 0.000 2.148 129 R HA -0.061 4.268 4.340 -0.018 0.000 0.223 129 R C 1.788 177.914 176.300 -0.290 0.000 1.088 129 R CA 1.061 57.137 56.100 -0.040 0.000 0.985 129 R CB -0.021 30.125 30.300 -0.257 0.000 0.880 129 R HN 0.017 nan 8.270 nan 0.000 0.451 130 T N 1.251 115.682 114.554 -0.205 0.000 2.685 130 T HA -0.125 4.214 4.350 -0.018 0.000 0.268 130 T C -1.158 173.392 174.700 -0.250 0.000 1.034 130 T CA 1.572 63.510 62.100 -0.270 0.000 1.149 130 T CB -0.941 67.743 68.868 -0.307 0.000 0.860 130 T HN 0.318 nan 8.240 nan 0.000 0.449 131 P HA -0.009 nan 4.420 nan 0.000 0.216 131 P C 1.041 178.261 177.300 -0.133 0.000 1.153 131 P CA 0.948 63.917 63.100 -0.217 0.000 0.848 131 P CB -0.193 31.340 31.700 -0.279 0.000 0.787 132 F N -1.465 118.473 119.950 -0.021 0.000 2.113 132 F HA -0.172 4.344 4.527 -0.018 0.000 0.297 132 F C 2.572 178.475 175.800 0.172 0.000 1.103 132 F CA 1.511 59.549 58.000 0.063 0.000 1.248 132 F CB -1.343 37.675 39.000 0.029 0.000 0.999 132 F HN 0.092 nan 8.300 nan 0.000 0.475 133 H N -2.119 117.066 119.070 0.191 0.000 2.319 133 H HA -0.287 4.259 4.556 -0.017 0.000 0.297 133 H C 2.127 177.552 175.328 0.162 0.000 1.097 133 H CA 1.654 57.730 56.048 0.046 0.000 1.285 133 H CB -0.340 29.173 29.762 -0.415 0.000 1.368 133 H HN 0.293 nan 8.280 nan 0.000 0.495 134 H N 0.965 120.118 119.070 0.140 0.000 2.353 134 H HA -0.062 4.484 4.556 -0.017 0.000 0.300 134 H C 2.235 177.650 175.328 0.143 0.000 1.090 134 H CA 1.254 57.363 56.048 0.102 0.000 1.327 134 H CB 0.171 29.920 29.762 -0.021 0.000 1.383 134 H HN -0.023 nan 8.280 nan 0.000 0.508 135 K N -0.253 120.206 120.400 0.098 0.000 2.057 135 K HA -0.181 4.128 4.320 -0.018 0.000 0.207 135 K C 2.056 178.712 176.600 0.094 0.000 1.049 135 K CA 1.362 57.673 56.287 0.040 0.000 0.931 135 K CB -0.706 31.854 32.500 0.100 0.000 0.714 135 K HN 0.470 nan 8.250 nan 0.000 0.440 136 W N 0.621 121.970 121.300 0.080 0.000 2.467 136 W HA -0.144 4.504 4.660 -0.020 0.000 0.275 136 W C 1.624 178.184 176.519 0.068 0.000 1.239 136 W CA 0.502 57.909 57.345 0.103 0.000 1.266 136 W CB 0.093 29.661 29.460 0.181 0.000 1.112 136 W HN -0.012 nan 8.180 nan 0.000 0.576 137 L N 1.045 122.456 121.223 0.313 0.000 2.202 137 L HA -0.031 4.299 4.340 -0.018 0.000 0.205 137 L C 2.526 179.377 176.870 -0.032 0.000 1.083 137 L CA 2.250 57.221 54.840 0.217 0.000 0.790 137 L CB -1.242 41.022 42.059 0.342 0.000 0.942 137 L HN 0.233 nan 8.230 nan 0.000 0.452 138 E N -1.310 118.785 120.200 -0.175 0.000 2.086 138 E HA -0.227 4.113 4.350 -0.018 0.000 0.200 138 E C 1.986 178.510 176.600 -0.126 0.000 1.012 138 E CA 1.479 57.765 56.400 -0.190 0.000 0.812 138 E CB -0.970 28.548 29.700 -0.303 0.000 0.743 138 E HN 0.431 nan 8.360 nan 0.000 0.453 139 G N 0.628 109.333 108.800 -0.158 0.000 2.448 139 G HA2 -0.155 3.794 3.960 -0.018 0.000 0.218 139 G HA3 -0.155 3.794 3.960 -0.018 0.000 0.218 139 G C 1.638 176.446 174.900 -0.153 0.000 1.135 139 G CA 0.364 45.376 45.100 -0.146 0.000 0.784 139 G HN 0.125 nan 8.290 nan 0.000 0.543 140 R N -0.943 119.435 120.500 -0.203 0.000 2.254 140 R HA 0.262 4.592 4.340 -0.018 0.000 0.195 140 R C 1.682 177.944 176.300 -0.062 0.000 0.957 140 R CA 0.040 56.032 56.100 -0.181 0.000 1.024 140 R CB 0.050 30.139 30.300 -0.351 0.000 0.952 140 R HN 0.333 nan 8.270 nan 0.000 0.484 141 I N 0.890 121.448 120.570 -0.020 0.000 3.860 141 I HA 0.040 4.200 4.170 -0.018 0.000 0.319 141 I C 0.105 176.232 176.117 0.017 0.000 1.279 141 I CA -0.023 61.299 61.300 0.035 0.000 1.220 141 I CB 0.072 38.124 38.000 0.086 0.000 1.027 141 I HN -0.248 nan 8.210 nan 0.000 0.428 142 K N 1.007 121.400 120.400 -0.011 0.000 2.472 142 K HA 0.332 4.642 4.320 -0.018 0.000 0.280 142 K C 1.155 177.748 176.600 -0.012 0.000 1.028 142 K CA 1.161 57.439 56.287 -0.015 0.000 1.045 142 K CB -0.232 32.250 32.500 -0.031 0.000 0.902 142 K HN 0.378 nan 8.250 nan 0.000 0.478 143 G N 3.614 112.408 108.800 -0.010 0.000 2.157 143 G HA2 -0.254 3.696 3.960 -0.018 0.000 0.248 143 G HA3 -0.254 3.696 3.960 -0.018 0.000 0.248 143 G C 0.280 175.180 174.900 -0.001 0.000 0.979 143 G CA 0.500 45.593 45.100 -0.011 0.000 0.650 143 G HN 0.631 nan 8.290 nan 0.000 0.529 144 K N -0.076 120.330 120.400 0.010 0.000 2.553 144 K HA 0.096 4.406 4.320 -0.018 0.000 0.205 144 K C 1.748 178.365 176.600 0.028 0.000 1.168 144 K CA 0.306 56.609 56.287 0.026 0.000 1.043 144 K CB 0.544 33.074 32.500 0.050 0.000 0.967 144 K HN 0.444 nan 8.250 nan 0.000 0.585 145 E N 1.444 121.649 120.200 0.009 0.000 2.114 145 E HA -0.239 4.100 4.350 -0.018 0.000 0.199 145 E C 0.983 177.568 176.600 -0.026 0.000 1.008 145 E CA 1.357 57.756 56.400 -0.001 0.000 0.810 145 E CB -0.392 29.288 29.700 -0.033 0.000 0.739 145 E HN 0.217 nan 8.360 nan 0.000 0.456 146 N N 0.823 119.495 118.700 -0.048 0.000 2.396 146 N HA -0.082 4.648 4.740 -0.018 0.000 0.180 146 N C 1.615 177.097 175.510 -0.047 0.000 1.028 146 N CA 0.722 53.726 53.050 -0.076 0.000 0.893 146 N CB -0.015 38.416 38.487 -0.094 0.000 0.967 146 N HN 0.227 nan 8.380 nan 0.000 0.440 147 E N 0.927 121.132 120.200 0.009 0.000 2.072 147 E HA -0.051 4.288 4.350 -0.018 0.000 0.191 147 E C 2.171 178.839 176.600 0.112 0.000 0.985 147 E CA 0.394 56.838 56.400 0.073 0.000 0.801 147 E CB -0.366 29.399 29.700 0.109 0.000 0.750 147 E HN 0.089 nan 8.360 nan 0.000 0.452 148 V N 1.303 121.274 119.914 0.094 0.000 2.295 148 V HA -0.262 3.847 4.120 -0.018 0.000 0.246 148 V C 2.443 178.579 176.094 0.070 0.000 1.049 148 V CA 1.824 64.194 62.300 0.117 0.000 1.024 148 V CB -0.391 31.501 31.823 0.116 0.000 0.648 148 V HN 0.182 nan 8.190 nan 0.000 0.447 149 R N -0.525 119.974 120.500 -0.002 0.000 2.091 149 R HA -0.137 4.193 4.340 -0.018 0.000 0.238 149 R C 2.274 178.534 176.300 -0.066 0.000 1.136 149 R CA 1.502 57.567 56.100 -0.059 0.000 0.959 149 R CB -0.442 29.785 30.300 -0.121 0.000 0.856 149 R HN 0.419 nan 8.270 nan 0.000 0.437 150 L N 0.152 121.308 121.223 -0.112 0.000 2.046 150 L HA -0.199 4.131 4.340 -0.018 0.000 0.208 150 L C 2.319 179.149 176.870 -0.067 0.000 1.077 150 L CA 0.752 55.439 54.840 -0.255 0.000 0.747 150 L CB -0.396 41.301 42.059 -0.603 0.000 0.896 150 L HN 0.203 nan 8.230 nan 0.000 0.432 151 L N -0.280 121.060 121.223 0.196 0.000 2.201 151 L HA -0.165 4.165 4.340 -0.018 0.000 0.212 151 L C 2.345 179.340 176.870 0.208 0.000 1.105 151 L CA 1.716 56.816 54.840 0.434 0.000 0.775 151 L CB -0.464 41.834 42.059 0.399 0.000 0.913 151 L HN 0.096 nan 8.230 nan 0.000 0.440 152 K N -1.047 119.380 120.400 0.045 0.000 2.116 152 K HA 0.045 4.354 4.320 -0.018 0.000 0.203 152 K C 2.005 178.486 176.600 -0.199 0.000 1.052 152 K CA 0.857 57.018 56.287 -0.209 0.000 0.952 152 K CB -0.459 31.820 32.500 -0.368 0.000 0.729 152 K HN 0.477 nan 8.250 nan 0.000 0.446 153 G N 1.182 109.970 108.800 -0.021 0.000 2.421 153 G HA2 -0.269 3.681 3.960 -0.018 0.000 0.216 153 G HA3 -0.269 3.681 3.960 -0.018 0.000 0.216 153 G C 1.301 176.262 174.900 0.102 0.000 1.171 153 G CA 0.411 45.553 45.100 0.069 0.000 0.775 153 G HN 0.152 nan 8.290 nan 0.000 0.543 154 F N 1.421 121.334 119.950 -0.063 0.000 2.025 154 F HA -0.117 4.400 4.527 -0.016 0.000 0.297 154 F C 2.640 178.370 175.800 -0.117 0.000 1.132 154 F CA 1.621 59.469 58.000 -0.252 0.000 1.191 154 F CB -0.537 38.408 39.000 -0.090 0.000 0.963 154 F HN 0.045 nan 8.300 nan 0.000 0.481 155 L N -0.227 121.032 121.223 0.060 0.000 2.079 155 L HA -0.252 4.078 4.340 -0.018 0.000 0.210 155 L C 2.408 179.281 176.870 0.006 0.000 1.081 155 L CA 1.854 56.665 54.840 -0.049 0.000 0.752 155 L CB -0.773 41.254 42.059 -0.054 0.000 0.896 155 L HN 0.112 nan 8.230 nan 0.000 0.433 156 K N 0.463 120.870 120.400 0.011 0.000 2.025 156 K HA -0.103 4.206 4.320 -0.018 0.000 0.207 156 K C 2.116 178.714 176.600 -0.004 0.000 1.049 156 K CA 1.388 57.708 56.287 0.054 0.000 0.933 156 K CB -0.281 32.203 32.500 -0.027 0.000 0.714 156 K HN 0.206 nan 8.250 nan 0.000 0.438 157 A N 0.833 123.615 122.820 -0.063 0.000 1.972 157 A HA -0.109 4.200 4.320 -0.018 0.000 0.219 157 A C 1.247 178.742 177.584 -0.149 0.000 1.169 157 A CA 1.636 53.615 52.037 -0.096 0.000 0.635 157 A CB -0.421 18.506 19.000 -0.122 0.000 0.810 157 A HN 0.407 nan 8.150 nan 0.000 0.446 158 N N -0.243 118.331 118.700 -0.209 0.000 2.327 158 N HA 0.200 4.929 4.740 -0.018 0.000 0.231 158 N C 0.823 176.275 175.510 -0.097 0.000 1.130 158 N CA 0.738 53.665 53.050 -0.204 0.000 0.845 158 N CB 0.264 38.560 38.487 -0.318 0.000 1.073 158 N HN 0.551 nan 8.380 nan 0.000 0.496 159 G N 1.889 110.660 108.800 -0.048 0.000 2.341 159 G HA2 -0.258 3.691 3.960 -0.018 0.000 0.292 159 G HA3 -0.258 3.691 3.960 -0.018 0.000 0.292 159 G C 0.514 175.429 174.900 0.025 0.000 1.021 159 G CA 0.746 45.845 45.100 -0.003 0.000 0.905 159 G HN 0.609 nan 8.290 nan 0.000 0.508 160 I N -4.852 115.748 120.570 0.050 0.000 3.597 160 I HA 0.413 4.573 4.170 -0.018 0.000 0.323 160 I C 1.266 177.480 176.117 0.162 0.000 1.535 160 I CA -0.872 60.485 61.300 0.096 0.000 1.028 160 I CB -0.099 37.968 38.000 0.113 0.000 1.354 160 I HN 0.003 nan 8.210 nan 0.000 0.544 161 Y N 2.809 123.124 120.300 0.025 0.000 2.286 161 Y HA 0.440 4.979 4.550 -0.018 0.000 0.293 161 Y C 1.541 177.492 175.900 0.085 0.000 1.124 161 Y CA 0.372 58.501 58.100 0.049 0.000 1.178 161 Y CB -0.293 38.192 38.460 0.041 0.000 1.010 161 Y HN 0.207 nan 8.280 nan 0.000 0.536 162 G N -0.614 108.038 108.800 -0.247 0.000 2.507 162 G HA2 0.418 4.367 3.960 -0.018 0.000 0.271 162 G HA3 0.418 4.367 3.960 -0.018 0.000 0.271 162 G C 0.364 175.141 174.900 -0.206 0.000 1.189 162 G CA -0.075 44.814 45.100 -0.351 0.000 0.859 162 G HN 0.472 nan 8.290 nan 0.000 0.542 163 A N 0.230 122.924 122.820 -0.209 0.000 2.303 163 A HA 0.263 4.573 4.320 -0.018 0.000 0.217 163 A C 1.233 178.684 177.584 -0.221 0.000 1.205 163 A CA 0.131 52.057 52.037 -0.185 0.000 0.875 163 A CB -0.186 18.718 19.000 -0.160 0.000 0.910 163 A HN 0.690 nan 8.150 nan 0.000 0.501 164 E N -0.385 119.711 120.200 -0.174 0.000 2.425 164 E HA -0.043 4.296 4.350 -0.018 0.000 0.258 164 E C -0.087 176.406 176.600 -0.180 0.000 1.151 164 E CA -0.187 56.119 56.400 -0.156 0.000 0.958 164 E CB 0.053 29.717 29.700 -0.059 0.000 0.968 164 E HN 0.442 nan 8.360 nan 0.000 0.451 165 Y N 0.118 120.405 120.300 -0.022 0.000 2.465 165 Y HA -0.160 4.380 4.550 -0.017 0.000 0.289 165 Y C 2.522 178.381 175.900 -0.067 0.000 1.150 165 Y CA 1.701 59.798 58.100 -0.005 0.000 1.293 165 Y CB -0.079 38.414 38.460 0.055 0.000 0.977 165 Y HN 0.523 nan 8.280 nan 0.000 0.556 166 K N -0.440 119.898 120.400 -0.103 0.000 2.432 166 K HA -0.035 4.274 4.320 -0.018 0.000 0.196 166 K C 1.000 177.487 176.600 -0.189 0.000 1.038 166 K CA 0.884 56.913 56.287 -0.429 0.000 0.986 166 K CB 0.232 32.336 32.500 -0.660 0.000 0.782 166 K HN 0.181 nan 8.250 nan 0.000 0.485 167 V N -0.568 119.290 119.914 -0.094 0.000 3.159 167 V HA 0.127 4.237 4.120 -0.018 0.000 0.234 167 V C 0.283 176.361 176.094 -0.026 0.000 1.313 167 V CA -0.163 62.106 62.300 -0.051 0.000 1.271 167 V CB -0.006 31.784 31.823 -0.055 0.000 1.053 167 V HN 0.255 nan 8.190 nan 0.000 0.476 168 R N 0.620 121.078 120.500 -0.069 0.000 3.422 168 R HA -0.164 4.166 4.340 -0.018 0.000 0.267 168 R C 0.598 176.858 176.300 -0.067 0.000 1.074 168 R CA 0.412 56.461 56.100 -0.086 0.000 0.718 168 R CB -1.662 28.630 30.300 -0.012 0.000 1.157 168 R HN 0.659 nan 8.270 nan 0.000 0.440 169 G N -0.350 108.422 108.800 -0.047 0.000 2.940 169 G HA2 0.591 4.541 3.960 -0.018 0.000 0.164 169 G HA3 0.591 4.541 3.960 -0.018 0.000 0.164 169 G C -0.708 174.201 174.900 0.014 0.000 1.326 169 G CA -0.726 44.415 45.100 0.069 0.000 1.020 169 G HN 0.072 nan 8.290 nan 0.000 0.586 170 F N 1.670 121.554 119.950 -0.110 0.000 2.390 170 F HA 0.417 4.933 4.527 -0.019 0.000 0.361 170 F C 1.299 177.031 175.800 -0.114 0.000 1.124 170 F CA -1.246 56.702 58.000 -0.086 0.000 1.149 170 F CB 0.964 39.933 39.000 -0.052 0.000 1.160 170 F HN 0.348 nan 8.300 nan 0.000 0.501 171 S N 1.525 117.236 115.700 0.018 0.000 2.580 171 S HA 0.227 4.686 4.470 -0.018 0.000 0.266 171 S C 1.508 176.179 174.600 0.118 0.000 1.354 171 S CA -0.234 57.950 58.200 -0.027 0.000 1.008 171 S CB 1.033 64.239 63.200 0.010 0.000 0.898 171 S HN 0.810 nan 8.310 nan 0.000 0.555 172 G N 0.304 109.189 108.800 0.143 0.000 2.422 172 G HA2 -0.217 3.733 3.960 -0.018 0.000 0.218 172 G HA3 -0.217 3.733 3.960 -0.018 0.000 0.218 172 G C 1.154 176.246 174.900 0.320 0.000 1.146 172 G CA 0.947 46.247 45.100 0.332 0.000 0.769 172 G HN 0.865 nan 8.290 nan 0.000 0.547 173 Y N 0.882 121.252 120.300 0.117 0.000 2.293 173 Y HA -0.013 4.528 4.550 -0.016 0.000 0.291 173 Y C 2.344 178.280 175.900 0.061 0.000 1.137 173 Y CA 0.946 59.089 58.100 0.072 0.000 1.202 173 Y CB -0.365 38.090 38.460 -0.009 0.000 0.990 173 Y HN 0.136 nan 8.280 nan 0.000 0.537 174 L N -0.325 120.910 121.223 0.021 0.000 2.093 174 L HA -0.163 4.166 4.340 -0.018 0.000 0.208 174 L C 2.307 179.230 176.870 0.090 0.000 1.085 174 L CA 1.718 56.523 54.840 -0.058 0.000 0.755 174 L CB -1.372 40.705 42.059 0.031 0.000 0.904 174 L HN 0.360 nan 8.230 nan 0.000 0.435 175 C N -0.107 119.317 119.300 0.206 0.000 2.429 175 C HA -0.128 4.321 4.460 -0.018 0.000 0.277 175 C C 2.576 177.694 174.990 0.212 0.000 1.262 175 C CA 1.035 60.202 59.018 0.249 0.000 1.733 175 C CB -0.853 27.064 27.740 0.294 0.000 2.010 175 C HN 0.591 nan 8.230 nan 0.000 0.483 176 E N 0.397 120.712 120.200 0.191 0.000 2.112 176 E HA -0.078 4.262 4.350 -0.018 0.000 0.190 176 E C 2.137 178.838 176.600 0.168 0.000 0.979 176 E CA 0.724 57.242 56.400 0.196 0.000 0.814 176 E CB -0.156 29.688 29.700 0.240 0.000 0.762 176 E HN 0.609 nan 8.360 nan 0.000 0.460 177 L N 0.803 122.051 121.223 0.042 0.000 2.012 177 L HA -0.217 4.113 4.340 -0.018 0.000 0.210 177 L C 2.510 179.444 176.870 0.107 0.000 1.073 177 L CA 1.062 55.897 54.840 -0.008 0.000 0.748 177 L CB -0.504 41.362 42.059 -0.323 0.000 0.891 177 L HN 0.207 nan 8.230 nan 0.000 0.431 178 L N -0.566 120.744 121.223 0.146 0.000 2.042 178 L HA -0.277 4.052 4.340 -0.018 0.000 0.210 178 L C 2.569 179.653 176.870 0.356 0.000 1.076 178 L CA 1.109 56.127 54.840 0.296 0.000 0.749 178 L CB -0.436 41.876 42.059 0.422 0.000 0.893 178 L HN 0.248 nan 8.230 nan 0.000 0.432 179 I N -0.890 119.852 120.570 0.286 0.000 2.202 179 I HA -0.208 3.952 4.170 -0.018 0.000 0.242 179 I C 2.618 178.869 176.117 0.223 0.000 1.091 179 I CA 1.189 62.644 61.300 0.257 0.000 1.368 179 I CB -1.050 37.073 38.000 0.205 0.000 1.058 179 I HN 0.035 nan 8.210 nan 0.000 0.410 180 V N 0.887 120.931 119.914 0.218 0.000 2.324 180 V HA -0.331 3.779 4.120 -0.018 0.000 0.250 180 V C 2.412 178.620 176.094 0.190 0.000 1.060 180 V CA 2.102 64.523 62.300 0.201 0.000 1.042 180 V CB -0.773 31.229 31.823 0.297 0.000 0.650 180 V HN 0.265 nan 8.190 nan 0.000 0.450 181 F N -0.494 119.467 119.950 0.019 0.000 2.098 181 F HA -0.138 4.377 4.527 -0.020 0.000 0.294 181 F C 2.064 177.751 175.800 -0.188 0.000 1.107 181 F CA 1.663 59.579 58.000 -0.141 0.000 1.234 181 F CB -0.210 38.596 39.000 -0.324 0.000 1.002 181 F HN 0.176 nan 8.300 nan 0.000 0.472 182 Y N -0.010 120.453 120.300 0.272 0.000 2.482 182 Y HA 0.280 4.822 4.550 -0.014 0.000 0.270 182 Y C 2.036 177.969 175.900 0.054 0.000 1.152 182 Y CA 0.258 58.437 58.100 0.132 0.000 1.292 182 Y CB -0.118 38.465 38.460 0.205 0.000 1.070 182 Y HN 0.266 nan 8.280 nan 0.000 0.528 183 G N 0.081 108.988 108.800 0.178 0.000 2.304 183 G HA2 -0.274 3.675 3.960 -0.018 0.000 0.252 183 G HA3 -0.274 3.675 3.960 -0.018 0.000 0.252 183 G C 0.372 175.343 174.900 0.119 0.000 1.014 183 G CA 0.509 45.677 45.100 0.113 0.000 0.619 183 G HN 0.773 nan 8.290 nan 0.000 0.525 184 S N -2.007 113.786 115.700 0.155 0.000 2.643 184 S HA 0.572 5.031 4.470 -0.018 0.000 0.266 184 S C 0.329 175.022 174.600 0.154 0.000 1.130 184 S CA 0.310 58.596 58.200 0.142 0.000 0.817 184 S CB 0.439 63.702 63.200 0.103 0.000 1.107 184 S HN 1.333 nan 8.310 nan 0.000 0.471 185 F N 1.135 121.096 119.950 0.018 0.000 2.069 185 F HA 0.011 4.530 4.527 -0.014 0.000 0.298 185 F C 1.896 177.638 175.800 -0.096 0.000 1.113 185 F CA 2.068 60.049 58.000 -0.032 0.000 1.214 185 F CB -0.371 38.593 39.000 -0.061 0.000 0.978 185 F HN 0.564 nan 8.300 nan 0.000 0.474 186 L N 0.992 122.189 121.223 -0.044 0.000 2.012 186 L HA -0.207 4.123 4.340 -0.018 0.000 0.210 186 L C 2.367 179.077 176.870 -0.266 0.000 1.073 186 L CA 1.907 56.635 54.840 -0.186 0.000 0.748 186 L CB -1.056 41.022 42.059 0.031 0.000 0.891 186 L HN 0.142 nan 8.230 nan 0.000 0.431 187 E N -0.723 119.392 120.200 -0.142 0.000 2.085 187 E HA -0.190 4.150 4.350 -0.018 0.000 0.194 187 E C 2.100 178.477 176.600 -0.372 0.000 0.994 187 E CA 1.793 58.102 56.400 -0.151 0.000 0.801 187 E CB -0.562 29.152 29.700 0.023 0.000 0.743 187 E HN 0.556 nan 8.360 nan 0.000 0.453 188 T N 1.072 115.438 114.554 -0.313 0.000 2.708 188 T HA -0.112 4.228 4.350 -0.018 0.000 0.266 188 T C 2.164 176.465 174.700 -0.665 0.000 1.037 188 T CA 1.415 63.258 62.100 -0.428 0.000 1.146 188 T CB -0.338 68.504 68.868 -0.044 0.000 0.865 188 T HN -0.023 nan 8.240 nan 0.000 0.435 189 V N 1.481 120.956 119.914 -0.732 0.000 2.295 189 V HA -0.185 3.925 4.120 -0.018 0.000 0.246 189 V C 2.496 178.214 176.094 -0.626 0.000 1.049 189 V CA 1.618 63.434 62.300 -0.806 0.000 1.024 189 V CB -0.495 30.748 31.823 -0.967 0.000 0.648 189 V HN 0.464 nan 8.190 nan 0.000 0.447 190 K N 0.096 120.209 120.400 -0.479 0.000 2.063 190 K HA -0.174 4.136 4.320 -0.018 0.000 0.208 190 K C 1.991 178.362 176.600 -0.381 0.000 1.048 190 K CA 1.644 57.722 56.287 -0.349 0.000 0.928 190 K CB -0.285 32.072 32.500 -0.239 0.000 0.713 190 K HN 0.492 nan 8.250 nan 0.000 0.442 191 N N 0.496 118.888 118.700 -0.512 0.000 2.300 191 N HA -0.057 4.672 4.740 -0.018 0.000 0.179 191 N C 1.771 176.923 175.510 -0.597 0.000 1.016 191 N CA 0.825 53.602 53.050 -0.456 0.000 0.876 191 N CB 0.020 38.151 38.487 -0.592 0.000 0.979 191 N HN 0.140 nan 8.380 nan 0.000 0.432 192 A N 2.003 124.196 122.820 -1.045 0.000 1.978 192 A HA -0.138 4.171 4.320 -0.018 0.000 0.220 192 A C 2.117 179.207 177.584 -0.824 0.000 1.170 192 A CA 1.040 52.051 52.037 -1.710 0.000 0.636 192 A CB -0.476 17.515 19.000 -1.682 0.000 0.810 192 A HN 0.244 nan 8.150 nan 0.000 0.448 193 R N -0.755 119.430 120.500 -0.526 0.000 2.249 193 R HA -0.089 4.241 4.340 -0.018 0.000 0.230 193 R C 0.981 177.212 176.300 -0.114 0.000 1.121 193 R CA 1.093 57.024 56.100 -0.282 0.000 0.997 193 R CB -0.115 30.044 30.300 -0.234 0.000 0.867 193 R HN 0.415 nan 8.270 nan 0.000 0.465 194 R N -0.780 119.684 120.500 -0.060 0.000 2.468 194 R HA 0.067 4.396 4.340 -0.018 0.000 0.280 194 R C -0.459 176.021 176.300 0.299 0.000 0.963 194 R CA -0.108 56.051 56.100 0.099 0.000 1.083 194 R CB 0.214 30.575 30.300 0.100 0.000 1.200 194 R HN 0.027 nan 8.270 nan 0.000 0.541 195 W N 2.593 123.958 121.300 0.108 0.000 2.218 195 W HA 0.185 4.837 4.660 -0.014 0.000 0.326 195 W C 1.221 177.838 176.519 0.164 0.000 1.276 195 W CA -0.470 56.993 57.345 0.198 0.000 1.210 195 W CB 0.640 30.263 29.460 0.272 0.000 1.143 195 W HN -0.029 nan 8.180 nan 0.000 0.563 196 T N -0.660 114.129 114.554 0.392 0.000 2.883 196 T HA 0.458 4.797 4.350 -0.018 0.000 0.284 196 T C 0.906 175.767 174.700 0.267 0.000 1.041 196 T CA -0.939 61.316 62.100 0.257 0.000 1.007 196 T CB 1.571 70.548 68.868 0.182 0.000 1.220 196 T HN 0.516 nan 8.240 nan 0.000 0.552 197 R N -0.241 120.372 120.500 0.188 0.000 2.323 197 R HA 0.207 4.536 4.340 -0.018 0.000 0.198 197 R C 0.946 177.355 176.300 0.182 0.000 0.988 197 R CA -0.062 56.145 56.100 0.178 0.000 1.041 197 R CB -0.023 30.346 30.300 0.114 0.000 0.926 197 R HN 0.276 nan 8.270 nan 0.000 0.476 198 R N 0.550 121.144 120.500 0.157 0.000 2.476 198 R HA 0.169 4.499 4.340 -0.018 0.000 0.276 198 R C -0.294 176.026 176.300 0.034 0.000 0.941 198 R CA 0.072 56.226 56.100 0.089 0.000 1.088 198 R CB 0.959 31.297 30.300 0.064 0.000 1.216 198 R HN 0.065 nan 8.270 nan 0.000 0.533 199 T N 1.535 116.121 114.554 0.053 0.000 2.916 199 T HA 0.220 4.559 4.350 -0.018 0.000 0.303 199 T C 0.111 174.545 174.700 -0.442 0.000 1.025 199 T CA 0.271 62.291 62.100 -0.133 0.000 1.142 199 T CB 1.488 70.302 68.868 -0.091 0.000 0.947 199 T HN -0.223 nan 8.240 nan 0.000 0.544 200 V N 5.114 124.810 119.914 -0.362 0.000 2.487 200 V HA 0.474 4.584 4.120 -0.018 0.000 0.298 200 V C -0.119 175.733 176.094 -0.403 0.000 1.028 200 V CA -0.799 61.268 62.300 -0.388 0.000 0.860 200 V CB 1.680 33.351 31.823 -0.253 0.000 0.991 200 V HN 0.775 nan 8.190 nan 0.000 0.427 201 I N 3.613 123.877 120.570 -0.510 0.000 2.359 201 I HA 0.328 4.488 4.170 -0.018 0.000 0.284 201 I C -0.413 175.434 176.117 -0.450 0.000 1.018 201 I CA -0.160 60.795 61.300 -0.576 0.000 1.173 201 I CB 1.425 38.945 38.000 -0.799 0.000 1.326 201 I HN 0.563 nan 8.210 nan 0.000 0.462 202 D N 6.850 127.068 120.400 -0.303 0.000 2.524 202 D HA 0.131 4.760 4.640 -0.018 0.000 0.222 202 D C 1.228 177.483 176.300 -0.075 0.000 1.142 202 D CA -0.213 53.688 54.000 -0.165 0.000 0.973 202 D CB 1.158 41.907 40.800 -0.086 0.000 1.025 202 D HN 0.284 nan 8.370 nan 0.000 0.519 203 V N 3.373 123.196 119.914 -0.153 0.000 2.278 203 V HA -0.339 3.770 4.120 -0.018 0.000 0.251 203 V C 2.617 178.818 176.094 0.177 0.000 1.062 203 V CA 2.258 64.592 62.300 0.057 0.000 1.038 203 V CB -0.981 30.785 31.823 -0.094 0.000 0.646 203 V HN 0.571 nan 8.190 nan 0.000 0.447 204 A N -0.084 122.774 122.820 0.063 0.000 1.877 204 A HA -0.229 4.081 4.320 -0.018 0.000 0.216 204 A C 2.237 179.900 177.584 0.131 0.000 1.186 204 A CA 2.068 54.183 52.037 0.130 0.000 0.620 204 A CB -0.445 18.584 19.000 0.048 0.000 0.822 204 A HN 0.592 nan 8.150 nan 0.000 0.443 205 K N -1.131 119.323 120.400 0.089 0.000 2.487 205 K HA 0.213 4.523 4.320 -0.018 0.000 0.192 205 K C 0.919 177.584 176.600 0.109 0.000 1.027 205 K CA 0.402 56.736 56.287 0.078 0.000 1.054 205 K CB -0.132 32.392 32.500 0.040 0.000 0.824 205 K HN 0.634 nan 8.250 nan 0.000 0.510 206 G N 2.648 111.559 108.800 0.185 0.000 2.305 206 G HA2 -0.318 3.632 3.960 -0.018 0.000 0.287 206 G HA3 -0.318 3.632 3.960 -0.018 0.000 0.287 206 G C -0.289 174.731 174.900 0.199 0.000 1.036 206 G CA 0.712 45.924 45.100 0.186 0.000 0.887 206 G HN 0.476 nan 8.290 nan 0.000 0.505 207 E N -1.248 119.123 120.200 0.285 0.000 2.299 207 E HA 0.698 5.038 4.350 -0.018 0.000 0.265 207 E C -0.804 175.925 176.600 0.214 0.000 0.911 207 E CA -0.977 55.545 56.400 0.202 0.000 0.789 207 E CB 2.263 32.013 29.700 0.083 0.000 1.246 207 E HN 0.181 nan 8.360 nan 0.000 0.427 208 V N 3.614 123.628 119.914 0.168 0.000 2.577 208 V HA 0.526 4.635 4.120 -0.018 0.000 0.303 208 V C -0.297 175.820 176.094 0.039 0.000 1.042 208 V CA -0.624 61.733 62.300 0.094 0.000 0.872 208 V CB 1.414 33.365 31.823 0.213 0.000 0.998 208 V HN 0.750 nan 8.190 nan 0.000 0.423 209 R N 3.015 123.497 120.500 -0.031 0.000 3.003 209 R HA 0.724 5.054 4.340 -0.018 0.000 0.251 209 R C -1.086 175.184 176.300 -0.051 0.000 1.265 209 R CA -1.125 54.956 56.100 -0.031 0.000 1.026 209 R CB 1.541 31.812 30.300 -0.048 0.000 1.307 209 R HN 0.318 nan 8.270 nan 0.000 0.475 210 K N 0.402 120.779 120.400 -0.040 0.000 2.235 210 K HA 0.440 4.750 4.320 -0.018 0.000 0.266 210 K C -0.820 175.745 176.600 -0.059 0.000 0.980 210 K CA -0.285 55.981 56.287 -0.034 0.000 0.849 210 K CB 1.635 34.133 32.500 -0.004 0.000 1.098 210 K HN 0.804 nan 8.250 nan 0.000 0.445 211 G N 2.187 110.947 108.800 -0.067 0.000 3.122 211 G HA2 0.222 4.172 3.960 -0.018 0.000 0.180 211 G HA3 0.222 4.172 3.960 -0.018 0.000 0.180 211 G C -0.130 174.751 174.900 -0.031 0.000 1.279 211 G CA -0.247 44.805 45.100 -0.080 0.000 0.987 211 G HN 0.622 nan 8.290 nan 0.000 0.589 212 E N -0.437 119.751 120.200 -0.020 0.000 2.481 212 E HA 0.213 4.552 4.350 -0.018 0.000 0.198 212 E C -0.140 176.490 176.600 0.050 0.000 1.027 212 E CA 0.198 56.606 56.400 0.014 0.000 0.900 212 E CB 0.346 30.052 29.700 0.010 0.000 0.993 212 E HN 0.594 nan 8.360 nan 0.000 0.482 213 E N -1.269 118.972 120.200 0.068 0.000 2.422 213 E HA 0.140 4.479 4.350 -0.018 0.000 0.280 213 E C -1.058 175.617 176.600 0.125 0.000 1.091 213 E CA -0.945 55.522 56.400 0.112 0.000 0.849 213 E CB 0.265 30.043 29.700 0.129 0.000 1.353 213 E HN -0.131 nan 8.360 nan 0.000 0.449 214 F N 1.726 121.670 119.950 -0.010 0.000 2.541 214 F HA 0.405 4.920 4.527 -0.021 0.000 0.378 214 F C -0.987 174.785 175.800 -0.047 0.000 1.068 214 F CA 0.259 58.214 58.000 -0.077 0.000 1.199 214 F CB 0.212 39.129 39.000 -0.139 0.000 1.091 214 F HN 0.428 nan 8.300 nan 0.000 0.555 215 F N 6.027 125.587 119.950 -0.650 0.000 2.585 215 F HA 0.509 5.024 4.527 -0.019 0.000 0.319 215 F C -1.538 173.910 175.800 -0.587 0.000 1.165 215 F CA -0.892 56.835 58.000 -0.454 0.000 0.949 215 F CB 1.318 40.145 39.000 -0.288 0.000 1.218 215 F HN 0.042 nan 8.300 nan 0.000 0.453 216 V N 7.189 126.892 119.914 -0.352 0.000 2.293 216 V HA 0.204 4.314 4.120 -0.018 0.000 0.275 216 V C -0.282 175.711 176.094 -0.168 0.000 1.021 216 V CA -0.823 61.279 62.300 -0.329 0.000 0.815 216 V CB 1.227 32.823 31.823 -0.378 0.000 1.025 216 V HN 0.553 nan 8.190 nan 0.000 0.448 217 V N 5.117 125.035 119.914 0.008 0.000 2.479 217 V HA 0.178 4.288 4.120 -0.018 0.000 0.281 217 V C 0.591 176.610 176.094 -0.124 0.000 1.031 217 V CA -0.092 62.250 62.300 0.069 0.000 1.038 217 V CB 1.146 32.997 31.823 0.047 0.000 0.981 217 V HN 0.910 nan 8.190 nan 0.000 0.478 218 D N 8.007 128.343 120.400 -0.106 0.000 2.487 218 D HA 0.086 4.716 4.640 -0.018 0.000 0.243 218 D C -1.700 174.467 176.300 -0.221 0.000 1.154 218 D CA -1.184 52.718 54.000 -0.162 0.000 0.876 218 D CB 1.953 42.747 40.800 -0.010 0.000 1.161 218 D HN 0.438 nan 8.370 nan 0.000 0.478 219 P HA -0.105 nan 4.420 nan 0.000 0.218 219 P C 1.297 178.391 177.300 -0.344 0.000 1.149 219 P CA 0.458 63.209 63.100 -0.582 0.000 0.817 219 P CB 0.350 31.097 31.700 -1.589 0.000 0.785 220 V N -1.384 118.403 119.914 -0.213 0.000 3.306 220 V HA 0.022 4.132 4.120 -0.018 0.000 0.264 220 V C 0.607 176.680 176.094 -0.035 0.000 1.149 220 V CA 0.991 63.271 62.300 -0.033 0.000 1.143 220 V CB -0.724 31.212 31.823 0.188 0.000 0.767 220 V HN 0.135 nan 8.190 nan 0.000 0.476 221 D N -0.690 119.696 120.400 -0.023 0.000 2.861 221 D HA 0.168 4.797 4.640 -0.018 0.000 0.216 221 D C 0.526 176.822 176.300 -0.006 0.000 1.323 221 D CA -0.286 53.707 54.000 -0.011 0.000 0.917 221 D CB 1.824 42.636 40.800 0.020 0.000 1.582 221 D HN -0.154 nan 8.370 nan 0.000 0.576 222 E N 1.671 121.863 120.200 -0.013 0.000 2.347 222 E HA -0.033 4.306 4.350 -0.018 0.000 0.196 222 E C 1.018 177.636 176.600 0.031 0.000 1.008 222 E CA 0.653 57.047 56.400 -0.010 0.000 0.852 222 E CB 0.378 30.058 29.700 -0.034 0.000 0.783 222 E HN 0.362 nan 8.360 nan 0.000 0.505 223 K N 0.277 120.710 120.400 0.055 0.000 2.379 223 K HA 0.091 4.400 4.320 -0.018 0.000 0.194 223 K C 0.896 177.621 176.600 0.209 0.000 1.031 223 K CA -0.055 56.294 56.287 0.104 0.000 1.037 223 K CB 0.493 33.026 32.500 0.054 0.000 0.824 223 K HN -0.046 nan 8.250 nan 0.000 0.516 224 R N 2.026 122.613 120.500 0.145 0.000 2.349 224 R HA 0.114 4.444 4.340 -0.018 0.000 0.299 224 R C -0.369 175.896 176.300 -0.058 0.000 1.027 224 R CA -0.272 55.866 56.100 0.063 0.000 0.958 224 R CB 0.544 30.873 30.300 0.049 0.000 1.047 224 R HN -0.154 nan 8.270 nan 0.000 0.468 225 N N 3.430 121.891 118.700 -0.397 0.000 2.437 225 N HA 0.067 4.796 4.740 -0.018 0.000 0.259 225 N C 0.464 175.710 175.510 -0.441 0.000 0.983 225 N CA -0.287 52.234 53.050 -0.881 0.000 0.937 225 N CB 1.739 39.291 38.487 -1.557 0.000 1.122 225 N HN 0.390 nan 8.380 nan 0.000 0.499 226 V N 2.896 122.606 119.914 -0.341 0.000 2.515 226 V HA -0.102 4.007 4.120 -0.018 0.000 0.250 226 V C 1.690 177.650 176.094 -0.223 0.000 1.058 226 V CA 2.116 64.281 62.300 -0.225 0.000 1.064 226 V CB -0.672 30.976 31.823 -0.291 0.000 0.675 226 V HN 0.801 nan 8.190 nan 0.000 0.461 227 A N -0.694 121.957 122.820 -0.280 0.000 2.462 227 A HA 0.597 4.907 4.320 -0.018 0.000 0.261 227 A C 2.051 179.492 177.584 -0.239 0.000 1.323 227 A CA 0.694 52.584 52.037 -0.245 0.000 0.913 227 A CB -0.278 18.626 19.000 -0.161 0.000 1.028 227 A HN 0.426 nan 8.150 nan 0.000 0.511 228 A N 1.076 123.732 122.820 -0.272 0.000 1.903 228 A HA -0.246 4.063 4.320 -0.018 0.000 0.219 228 A C 1.719 179.204 177.584 -0.164 0.000 1.191 228 A CA 2.075 53.970 52.037 -0.237 0.000 0.638 228 A CB -0.451 18.416 19.000 -0.221 0.000 0.823 228 A HN 0.524 nan 8.150 nan 0.000 0.451 229 N N -0.776 117.817 118.700 -0.180 0.000 2.313 229 N HA 0.121 4.851 4.740 -0.018 0.000 0.207 229 N C -0.298 175.102 175.510 -0.183 0.000 1.141 229 N CA -0.241 52.699 53.050 -0.184 0.000 0.830 229 N CB -0.437 37.875 38.487 -0.292 0.000 1.008 229 N HN 0.339 nan 8.380 nan 0.000 0.481 230 L N 1.434 122.536 121.223 -0.202 0.000 2.315 230 L HA 0.316 4.645 4.340 -0.018 0.000 0.283 230 L C 0.408 177.188 176.870 -0.151 0.000 1.089 230 L CA -0.407 54.285 54.840 -0.246 0.000 0.833 230 L CB 0.168 41.967 42.059 -0.434 0.000 1.170 230 L HN 0.161 nan 8.230 nan 0.000 0.442 231 S N 4.287 119.933 115.700 -0.090 0.000 2.584 231 S HA 0.068 4.527 4.470 -0.018 0.000 0.270 231 S C 1.157 175.733 174.600 -0.040 0.000 1.346 231 S CA -0.268 57.913 58.200 -0.032 0.000 1.018 231 S CB 0.671 63.877 63.200 0.010 0.000 0.899 231 S HN 0.778 nan 8.310 nan 0.000 0.542 232 L N 1.321 122.537 121.223 -0.012 0.000 2.012 232 L HA -0.063 4.266 4.340 -0.018 0.000 0.210 232 L C 1.844 178.718 176.870 0.007 0.000 1.073 232 L CA 2.100 56.937 54.840 -0.006 0.000 0.748 232 L CB -1.141 40.929 42.059 0.017 0.000 0.891 232 L HN 0.799 nan 8.230 nan 0.000 0.431 233 D N -0.803 119.606 120.400 0.015 0.000 2.144 233 D HA -0.171 4.459 4.640 -0.018 0.000 0.200 233 D C 1.934 178.261 176.300 0.046 0.000 0.978 233 D CA 1.388 55.402 54.000 0.023 0.000 0.833 233 D CB -0.324 40.480 40.800 0.008 0.000 0.961 233 D HN 0.547 nan 8.370 nan 0.000 0.470 234 N N 0.099 118.827 118.700 0.046 0.000 2.223 234 N HA -0.119 4.610 4.740 -0.018 0.000 0.185 234 N C 1.833 177.449 175.510 0.176 0.000 1.016 234 N CA 0.192 53.301 53.050 0.099 0.000 0.863 234 N CB 0.039 38.569 38.487 0.072 0.000 0.983 234 N HN 0.029 nan 8.380 nan 0.000 0.429 235 L N 0.830 122.098 121.223 0.075 0.000 2.093 235 L HA 0.038 4.367 4.340 -0.018 0.000 0.208 235 L C 2.097 179.087 176.870 0.199 0.000 1.085 235 L CA 1.255 56.148 54.840 0.087 0.000 0.755 235 L CB -0.542 41.405 42.059 -0.186 0.000 0.904 235 L HN 0.021 nan 8.230 nan 0.000 0.435 236 A N 0.154 123.050 122.820 0.126 0.000 1.858 236 A HA -0.216 4.094 4.320 -0.018 0.000 0.216 236 A C 2.396 180.076 177.584 0.159 0.000 1.190 236 A CA 1.880 53.992 52.037 0.126 0.000 0.617 236 A CB -0.606 18.437 19.000 0.071 0.000 0.827 236 A HN 0.526 nan 8.150 nan 0.000 0.443 237 R N -1.985 118.602 120.500 0.146 0.000 2.105 237 R HA -0.146 4.183 4.340 -0.018 0.000 0.239 237 R C 1.989 178.427 176.300 0.229 0.000 1.135 237 R CA 1.589 57.775 56.100 0.142 0.000 0.967 237 R CB -0.522 29.837 30.300 0.097 0.000 0.861 237 R HN 0.580 nan 8.270 nan 0.000 0.442 238 F N 1.260 121.290 119.950 0.134 0.000 2.084 238 F HA -0.161 4.359 4.527 -0.012 0.000 0.296 238 F C 2.121 177.988 175.800 0.112 0.000 1.111 238 F CA 1.114 59.192 58.000 0.131 0.000 1.224 238 F CB -0.539 38.601 39.000 0.233 0.000 0.991 238 F HN -0.304 nan 8.300 nan 0.000 0.471 239 V N 0.491 120.420 119.914 0.024 0.000 2.282 239 V HA -0.377 3.732 4.120 -0.018 0.000 0.249 239 V C 2.651 178.683 176.094 -0.102 0.000 1.057 239 V CA 2.456 64.681 62.300 -0.125 0.000 1.032 239 V CB -1.119 30.753 31.823 0.081 0.000 0.645 239 V HN 0.518 nan 8.190 nan 0.000 0.447 240 H N -0.571 118.472 119.070 -0.044 0.000 2.423 240 H HA -0.042 4.506 4.556 -0.013 0.000 0.297 240 H C 2.257 177.587 175.328 0.003 0.000 1.075 240 H CA 1.569 57.609 56.048 -0.014 0.000 1.342 240 H CB 0.088 29.860 29.762 0.017 0.000 1.395 240 H HN 0.352 nan 8.280 nan 0.000 0.530 241 L N -0.450 120.845 121.223 0.119 0.000 2.141 241 L HA -0.192 4.138 4.340 -0.018 0.000 0.209 241 L C 2.884 179.864 176.870 0.182 0.000 1.094 241 L CA 0.840 55.786 54.840 0.177 0.000 0.763 241 L CB -0.146 41.995 42.059 0.137 0.000 0.908 241 L HN 0.344 nan 8.230 nan 0.000 0.437 242 C N -0.744 118.482 119.300 -0.123 0.000 2.466 242 C HA -0.085 4.365 4.460 -0.018 0.000 0.278 242 C C 2.797 177.702 174.990 -0.142 0.000 1.288 242 C CA 0.265 59.143 59.018 -0.234 0.000 1.722 242 C CB -0.854 26.523 27.740 -0.605 0.000 2.017 242 C HN 0.442 nan 8.230 nan 0.000 0.488 243 R N 0.980 121.367 120.500 -0.189 0.000 2.105 243 R HA -0.160 4.170 4.340 -0.018 0.000 0.239 243 R C 2.051 178.271 176.300 -0.133 0.000 1.135 243 R CA 1.548 57.535 56.100 -0.188 0.000 0.967 243 R CB -0.319 29.827 30.300 -0.256 0.000 0.861 243 R HN 0.687 nan 8.270 nan 0.000 0.442 244 E N -0.146 120.012 120.200 -0.070 0.000 2.028 244 E HA -0.168 4.172 4.350 -0.018 0.000 0.190 244 E C 1.760 178.408 176.600 0.079 0.000 0.984 244 E CA 0.862 57.294 56.400 0.052 0.000 0.800 244 E CB -0.219 29.606 29.700 0.208 0.000 0.758 244 E HN 0.178 nan 8.360 nan 0.000 0.448 245 F N 1.682 121.591 119.950 -0.069 0.000 2.087 245 F HA -0.284 4.231 4.527 -0.020 0.000 0.299 245 F C 2.229 177.847 175.800 -0.303 0.000 1.100 245 F CA 1.480 59.179 58.000 -0.502 0.000 1.226 245 F CB -0.058 38.642 39.000 -0.501 0.000 0.983 245 F HN -0.022 nan 8.300 nan 0.000 0.479 246 M N -0.113 119.415 119.600 -0.120 0.000 2.279 246 M HA -0.199 4.270 4.480 -0.018 0.000 0.264 246 M C 2.123 178.303 176.300 -0.201 0.000 1.062 246 M CA 1.424 56.619 55.300 -0.175 0.000 1.099 246 M CB -1.366 31.163 32.600 -0.119 0.000 1.394 246 M HN 0.363 nan 8.290 nan 0.000 0.426 247 E N -0.322 119.780 120.200 -0.164 0.000 2.158 247 E HA 0.095 4.435 4.350 -0.018 0.000 0.191 247 E C -0.127 176.386 176.600 -0.145 0.000 0.982 247 E CA 0.627 56.952 56.400 -0.126 0.000 0.823 247 E CB 0.381 30.033 29.700 -0.080 0.000 0.766 247 E HN 0.339 nan 8.360 nan 0.000 0.468 248 A N 1.495 124.191 122.820 -0.206 0.000 2.893 248 A HA 0.332 4.641 4.320 -0.018 0.000 0.298 248 A C -2.789 174.567 177.584 -0.380 0.000 1.227 248 A CA -1.099 50.816 52.037 -0.204 0.000 0.845 248 A CB 0.428 19.388 19.000 -0.066 0.000 1.430 248 A HN -0.038 nan 8.150 nan 0.000 0.493 249 P HA 0.253 nan 4.420 nan 0.000 0.265 249 P C 0.105 177.135 177.300 -0.451 0.000 1.187 249 P CA 0.680 63.093 63.100 -1.146 0.000 0.766 249 P CB 0.880 32.031 31.700 -0.915 0.000 0.820 250 S N 2.018 117.604 115.700 -0.190 0.000 2.537 250 S HA 0.264 4.723 4.470 -0.018 0.000 0.271 250 S C 0.005 174.916 174.600 0.518 0.000 1.148 250 S CA -0.626 57.720 58.200 0.244 0.000 0.868 250 S CB 0.644 64.100 63.200 0.426 0.000 1.115 250 S HN 0.219 nan 8.310 nan 0.000 0.461 251 L N 4.485 125.927 121.223 0.366 0.000 2.552 251 L HA 0.373 4.702 4.340 -0.018 0.000 0.227 251 L C 1.990 179.116 176.870 0.427 0.000 1.146 251 L CA 1.999 57.074 54.840 0.391 0.000 0.858 251 L CB -0.743 41.426 42.059 0.182 0.000 0.969 251 L HN 0.930 nan 8.230 nan 0.000 0.451 252 G N -1.507 107.535 108.800 0.403 0.000 2.534 252 G HA2 -0.232 3.717 3.960 -0.018 0.000 0.217 252 G HA3 -0.232 3.717 3.960 -0.018 0.000 0.217 252 G C 1.164 176.177 174.900 0.187 0.000 1.128 252 G CA 0.227 45.467 45.100 0.234 0.000 0.784 252 G HN 0.386 nan 8.290 nan 0.000 0.542 253 F N -0.304 119.738 119.950 0.153 0.000 2.604 253 F HA 0.266 4.785 4.527 -0.014 0.000 0.298 253 F C 1.394 176.974 175.800 -0.366 0.000 1.131 253 F CA 0.150 58.087 58.000 -0.104 0.000 1.457 253 F CB -0.047 38.981 39.000 0.047 0.000 1.095 253 F HN 0.099 nan 8.300 nan 0.000 0.574 254 F N -0.434 119.646 119.950 0.216 0.000 2.678 254 F HA 0.228 4.743 4.527 -0.020 0.000 0.305 254 F C 0.548 176.363 175.800 0.024 0.000 1.090 254 F CA -0.340 57.718 58.000 0.096 0.000 1.272 254 F CB -0.185 38.856 39.000 0.069 0.000 1.060 254 F HN -0.373 nan 8.300 nan 0.000 0.576 255 K N 1.721 122.205 120.400 0.140 0.000 2.213 255 K HA 0.357 4.666 4.320 -0.018 0.000 0.270 255 K C -2.589 173.996 176.600 -0.024 0.000 1.002 255 K CA -1.902 54.415 56.287 0.049 0.000 0.868 255 K CB 0.965 33.477 32.500 0.019 0.000 1.093 255 K HN -0.212 nan 8.250 nan 0.000 0.454 256 P HA -0.055 nan 4.420 nan 0.000 0.266 256 P C -0.889 176.380 177.300 -0.052 0.000 1.195 256 P CA -0.058 63.027 63.100 -0.025 0.000 0.768 256 P CB 0.433 32.145 31.700 0.021 0.000 0.838 257 K N 2.563 122.930 120.400 -0.056 0.000 2.368 257 K HA 0.114 4.423 4.320 -0.018 0.000 0.282 257 K C 0.357 176.984 176.600 0.044 0.000 1.035 257 K CA 0.180 56.435 56.287 -0.054 0.000 0.973 257 K CB -0.161 32.300 32.500 -0.064 0.000 0.957 257 K HN 0.595 nan 8.250 nan 0.000 0.474 258 H N 2.632 121.687 119.070 -0.025 0.000 2.815 258 H HA -0.024 4.522 4.556 -0.017 0.000 0.350 258 H C -1.057 174.259 175.328 -0.020 0.000 1.080 258 H CA -1.361 54.678 56.048 -0.016 0.000 1.433 258 H CB 0.704 30.459 29.762 -0.012 0.000 1.432 258 H HN 0.392 nan 8.280 nan 0.000 0.592 259 P HA -0.227 nan 4.420 nan 0.000 0.218 259 P C 0.097 177.404 177.300 0.012 0.000 1.152 259 P CA 0.923 64.035 63.100 0.021 0.000 0.857 259 P CB 0.182 31.874 31.700 -0.013 0.000 0.787 260 L N -0.947 120.286 121.223 0.016 0.000 3.713 260 L HA -0.199 4.131 4.340 -0.018 0.000 0.499 260 L C -0.193 176.670 176.870 -0.012 0.000 1.281 260 L CA 0.604 55.448 54.840 0.007 0.000 0.796 260 L CB -1.851 40.216 42.059 0.015 0.000 1.535 260 L HN 0.177 nan 8.230 nan 0.000 0.851 261 E N 1.004 121.191 120.200 -0.021 0.000 2.390 261 E HA 0.459 4.799 4.350 -0.018 0.000 0.261 261 E C 0.277 176.862 176.600 -0.025 0.000 1.076 261 E CA -0.245 56.140 56.400 -0.024 0.000 0.905 261 E CB 1.348 31.032 29.700 -0.027 0.000 0.984 261 E HN 0.456 nan 8.360 nan 0.000 0.427 262 I N 1.952 122.504 120.570 -0.029 0.000 2.569 262 I HA 0.090 4.250 4.170 -0.018 0.000 0.296 262 I C -0.100 175.994 176.117 -0.038 0.000 1.028 262 I CA -0.836 60.443 61.300 -0.036 0.000 1.082 262 I CB 1.178 39.150 38.000 -0.046 0.000 1.264 262 I HN 0.549 nan 8.210 nan 0.000 0.429 263 E N 8.583 128.759 120.200 -0.039 0.000 2.392 263 E HA 0.092 4.431 4.350 -0.018 0.000 0.264 263 E C -2.263 174.303 176.600 -0.057 0.000 1.024 263 E CA -1.366 55.012 56.400 -0.036 0.000 0.903 263 E CB 0.690 30.371 29.700 -0.032 0.000 0.963 263 E HN 0.401 nan 8.360 nan 0.000 0.432 264 P HA -0.218 nan 4.420 nan 0.000 0.216 264 P C 1.204 178.414 177.300 -0.150 0.000 1.150 264 P CA 1.336 64.394 63.100 -0.070 0.000 0.837 264 P CB 0.349 32.066 31.700 0.028 0.000 0.786 265 E N 0.852 120.999 120.200 -0.088 0.000 2.070 265 E HA -0.224 4.116 4.350 -0.018 0.000 0.197 265 E C 2.405 178.921 176.600 -0.139 0.000 1.004 265 E CA 1.471 57.815 56.400 -0.094 0.000 0.805 265 E CB -0.828 28.844 29.700 -0.047 0.000 0.744 265 E HN 0.074 nan 8.360 nan 0.000 0.451 266 R N -0.384 120.045 120.500 -0.119 0.000 2.083 266 R HA -0.169 4.161 4.340 -0.018 0.000 0.237 266 R C 2.437 178.628 176.300 -0.182 0.000 1.137 266 R CA 1.622 57.651 56.100 -0.118 0.000 0.951 266 R CB -0.608 29.642 30.300 -0.084 0.000 0.851 266 R HN 0.334 nan 8.270 nan 0.000 0.434 267 L N 1.596 122.673 121.223 -0.245 0.000 2.013 267 L HA -0.239 4.090 4.340 -0.018 0.000 0.212 267 L C 2.559 179.092 176.870 -0.562 0.000 1.073 267 L CA 2.095 56.724 54.840 -0.353 0.000 0.753 267 L CB -0.704 41.122 42.059 -0.388 0.000 0.890 267 L HN 0.204 nan 8.230 nan 0.000 0.432 268 R N -0.366 119.662 120.500 -0.787 0.000 2.097 268 R HA -0.233 4.096 4.340 -0.018 0.000 0.236 268 R C 2.393 178.534 176.300 -0.266 0.000 1.135 268 R CA 2.191 57.855 56.100 -0.727 0.000 0.934 268 R CB -0.281 29.787 30.300 -0.386 0.000 0.846 268 R HN 0.383 nan 8.270 nan 0.000 0.431 269 K N 0.233 120.526 120.400 -0.178 0.000 2.034 269 K HA -0.209 4.101 4.320 -0.018 0.000 0.214 269 K C 2.185 178.744 176.600 -0.067 0.000 1.051 269 K CA 2.227 58.462 56.287 -0.087 0.000 0.931 269 K CB -0.377 32.080 32.500 -0.071 0.000 0.715 269 K HN 0.310 nan 8.250 nan 0.000 0.446 270 I N 0.814 121.330 120.570 -0.089 0.000 2.194 270 I HA -0.304 3.856 4.170 -0.018 0.000 0.246 270 I C 2.303 178.407 176.117 -0.022 0.000 1.093 270 I CA 1.179 62.448 61.300 -0.053 0.000 1.355 270 I CB -0.364 37.598 38.000 -0.063 0.000 1.046 270 I HN -0.027 nan 8.210 nan 0.000 0.413 271 V N 0.476 120.374 119.914 -0.027 0.000 2.427 271 V HA -0.277 3.832 4.120 -0.018 0.000 0.248 271 V C 2.427 178.563 176.094 0.070 0.000 1.051 271 V CA 1.975 64.310 62.300 0.059 0.000 1.048 271 V CB -0.573 31.349 31.823 0.165 0.000 0.666 271 V HN 0.452 nan 8.190 nan 0.000 0.456 272 E N 0.127 120.353 120.200 0.044 0.000 2.072 272 E HA -0.223 4.117 4.350 -0.018 0.000 0.191 272 E C 2.204 178.825 176.600 0.035 0.000 0.985 272 E CA 1.335 57.764 56.400 0.048 0.000 0.801 272 E CB -0.029 29.690 29.700 0.031 0.000 0.750 272 E HN 0.696 nan 8.360 nan 0.000 0.452 273 E N -0.006 120.205 120.200 0.019 0.000 2.110 273 E HA -0.168 4.171 4.350 -0.018 0.000 0.193 273 E C 2.173 178.788 176.600 0.024 0.000 0.988 273 E CA 0.810 57.219 56.400 0.015 0.000 0.804 273 E CB -0.009 29.692 29.700 0.002 0.000 0.745 273 E HN 0.160 nan 8.360 nan 0.000 0.458 274 R N -0.468 120.051 120.500 0.032 0.000 2.193 274 R HA -0.000 4.329 4.340 -0.018 0.000 0.213 274 R C 1.490 177.821 176.300 0.052 0.000 1.055 274 R CA 0.613 56.738 56.100 0.041 0.000 0.995 274 R CB 0.017 30.346 30.300 0.048 0.000 0.893 274 R HN 0.286 nan 8.270 nan 0.000 0.459 275 G N 1.529 110.364 108.800 0.058 0.000 2.180 275 G HA2 -0.341 3.608 3.960 -0.018 0.000 0.263 275 G HA3 -0.341 3.608 3.960 -0.018 0.000 0.263 275 G C 0.365 175.311 174.900 0.076 0.000 0.989 275 G CA 0.976 46.114 45.100 0.063 0.000 0.692 275 G HN 0.509 nan 8.290 nan 0.000 0.526 276 T N -2.345 112.262 114.554 0.089 0.000 2.881 276 T HA 0.782 5.121 4.350 -0.018 0.000 0.278 276 T C 0.388 175.166 174.700 0.129 0.000 0.982 276 T CA 0.268 62.431 62.100 0.105 0.000 0.989 276 T CB 2.112 71.043 68.868 0.104 0.000 1.058 276 T HN 1.643 nan 8.240 nan 0.000 0.529 277 A N 1.097 124.008 122.820 0.152 0.000 2.289 277 A HA 0.643 4.952 4.320 -0.018 0.000 0.298 277 A C -0.447 177.289 177.584 0.253 0.000 1.208 277 A CA -0.713 51.443 52.037 0.197 0.000 0.845 277 A CB 0.261 19.378 19.000 0.195 0.000 1.125 277 A HN 0.808 nan 8.150 nan 0.000 0.517 278 V N 4.036 124.100 119.914 0.250 0.000 2.483 278 V HA 0.670 4.780 4.120 -0.018 0.000 0.297 278 V C -0.803 175.429 176.094 0.229 0.000 1.027 278 V CA -0.257 62.151 62.300 0.180 0.000 0.855 278 V CB 0.631 32.553 31.823 0.164 0.000 0.995 278 V HN 0.887 nan 8.190 nan 0.000 0.424 279 F N 2.751 122.755 119.950 0.090 0.000 2.662 279 F HA 1.016 5.532 4.527 -0.017 0.000 0.312 279 F C -0.394 175.502 175.800 0.160 0.000 1.113 279 F CA -1.143 56.902 58.000 0.074 0.000 0.951 279 F CB 1.692 40.727 39.000 0.059 0.000 1.344 279 F HN 0.581 nan 8.300 nan 0.000 0.462 280 A N 1.024 124.005 122.820 0.269 0.000 2.454 280 A HA 0.796 5.106 4.320 -0.018 0.000 0.302 280 A C -1.784 176.004 177.584 0.340 0.000 1.079 280 A CA -0.966 51.202 52.037 0.220 0.000 0.731 280 A CB 1.768 20.870 19.000 0.169 0.000 1.299 280 A HN 0.823 nan 8.150 nan 0.000 0.413 281 V N 1.909 122.028 119.914 0.341 0.000 2.370 281 V HA 0.433 4.542 4.120 -0.018 0.000 0.279 281 V C 0.157 176.394 176.094 0.238 0.000 1.029 281 V CA -0.356 62.158 62.300 0.357 0.000 0.870 281 V CB 1.171 33.240 31.823 0.411 0.000 0.984 281 V HN 0.845 nan 8.190 nan 0.000 0.451 282 K N 5.982 126.471 120.400 0.148 0.000 2.323 282 K HA 0.707 5.017 4.320 -0.018 0.000 0.259 282 K C -1.307 175.323 176.600 0.051 0.000 0.947 282 K CA -0.475 55.733 56.287 -0.132 0.000 0.819 282 K CB 1.276 33.599 32.500 -0.295 0.000 1.109 282 K HN 0.590 nan 8.250 nan 0.000 0.429 283 F N -0.240 119.730 119.950 0.033 0.000 2.662 283 F HA 0.543 5.059 4.527 -0.018 0.000 0.312 283 F C -0.683 175.340 175.800 0.373 0.000 1.113 283 F CA -1.436 56.701 58.000 0.228 0.000 0.951 283 F CB 0.859 39.932 39.000 0.122 0.000 1.344 283 F HN 0.252 nan 8.300 nan 0.000 0.462 284 R N 1.627 122.478 120.500 0.585 0.000 2.590 284 R HA 0.164 4.493 4.340 -0.018 0.000 0.274 284 R C -0.175 176.201 176.300 0.128 0.000 1.061 284 R CA -0.624 55.615 56.100 0.232 0.000 1.081 284 R CB 0.707 31.070 30.300 0.106 0.000 0.984 284 R HN 0.675 nan 8.270 nan 0.000 0.448 285 K N 4.526 124.883 120.400 -0.073 0.000 2.383 285 K HA 0.126 4.435 4.320 -0.018 0.000 0.286 285 K C -2.186 174.412 176.600 -0.003 0.000 1.051 285 K CA -1.441 54.819 56.287 -0.046 0.000 0.974 285 K CB 0.587 33.023 32.500 -0.106 0.000 0.968 285 K HN 0.224 nan 8.250 nan 0.000 0.475 286 P HA 0.003 nan 4.420 nan 0.000 0.271 286 P C -0.964 176.327 177.300 -0.015 0.000 1.216 286 P CA -0.167 62.944 63.100 0.018 0.000 0.771 286 P CB 0.537 32.253 31.700 0.027 0.000 0.864 287 D N 3.478 123.862 120.400 -0.027 0.000 2.671 287 D HA 0.125 4.754 4.640 -0.018 0.000 0.228 287 D C -0.099 176.184 176.300 -0.028 0.000 1.102 287 D CA 0.042 54.022 54.000 -0.033 0.000 1.044 287 D CB -1.082 39.692 40.800 -0.042 0.000 1.113 287 D HN 0.251 nan 8.370 nan 0.000 0.480 288 I N -1.651 118.908 120.570 -0.018 0.000 3.145 288 I HA 0.555 4.715 4.170 -0.018 0.000 0.313 288 I C -0.042 176.083 176.117 0.013 0.000 1.122 288 I CA -1.521 59.772 61.300 -0.012 0.000 0.987 288 I CB 1.620 39.611 38.000 -0.015 0.000 1.236 288 I HN -0.127 nan 8.210 nan 0.000 0.453 289 V N -0.184 119.747 119.914 0.027 0.000 2.881 289 V HA 0.230 4.340 4.120 -0.018 0.000 0.303 289 V C 0.590 176.753 176.094 0.114 0.000 1.070 289 V CA 0.124 62.465 62.300 0.067 0.000 1.074 289 V CB 0.784 32.650 31.823 0.071 0.000 1.012 289 V HN 0.867 nan 8.190 nan 0.000 0.482 290 D N 1.656 122.165 120.400 0.181 0.000 2.239 290 D HA -0.167 4.463 4.640 -0.018 0.000 0.202 290 D C 1.451 177.950 176.300 0.331 0.000 0.993 290 D CA 1.997 56.203 54.000 0.344 0.000 0.874 290 D CB -0.173 40.811 40.800 0.306 0.000 0.922 290 D HN 0.824 nan 8.370 nan 0.000 0.464 291 D N -0.720 119.810 120.400 0.217 0.000 2.312 291 D HA -0.022 4.607 4.640 -0.018 0.000 0.211 291 D C 1.480 177.848 176.300 0.114 0.000 0.964 291 D CA 0.504 54.647 54.000 0.238 0.000 0.877 291 D CB 0.043 40.980 40.800 0.229 0.000 0.924 291 D HN 0.198 nan 8.370 nan 0.000 0.515 292 N N -0.308 118.433 118.700 0.067 0.000 2.482 292 N HA -0.005 4.724 4.740 -0.018 0.000 0.179 292 N C 1.732 177.220 175.510 -0.037 0.000 1.039 292 N CA -0.034 53.006 53.050 -0.016 0.000 0.884 292 N CB 0.119 38.599 38.487 -0.012 0.000 1.113 292 N HN 0.117 nan 8.380 nan 0.000 0.440 293 L N 0.880 122.103 121.223 0.001 0.000 1.976 293 L HA -0.108 4.222 4.340 -0.018 0.000 0.209 293 L C 1.914 178.672 176.870 -0.187 0.000 1.071 293 L CA 1.736 56.523 54.840 -0.089 0.000 0.746 293 L CB -0.933 41.059 42.059 -0.112 0.000 0.890 293 L HN 0.048 nan 8.230 nan 0.000 0.432 294 Y N -0.175 120.079 120.300 -0.077 0.000 2.181 294 Y HA -0.128 4.412 4.550 -0.017 0.000 0.288 294 Y C -0.345 175.435 175.900 -0.201 0.000 1.146 294 Y CA 1.840 59.861 58.100 -0.131 0.000 1.164 294 Y CB -1.971 36.515 38.460 0.043 0.000 0.982 294 Y HN 0.307 nan 8.280 nan 0.000 0.515 295 P HA -0.141 nan 4.420 nan 0.000 0.222 295 P C 1.050 178.249 177.300 -0.169 0.000 1.147 295 P CA 1.616 64.601 63.100 -0.191 0.000 0.790 295 P CB 0.009 31.437 31.700 -0.454 0.000 0.780 296 Q N -1.012 118.681 119.800 -0.178 0.000 2.096 296 Q HA -0.023 4.306 4.340 -0.018 0.000 0.197 296 Q C 2.101 177.982 176.000 -0.199 0.000 0.964 296 Q CA 0.968 56.674 55.803 -0.161 0.000 0.838 296 Q CB -0.546 28.110 28.738 -0.137 0.000 0.906 296 Q HN 0.286 nan 8.270 nan 0.000 0.444 297 L N 0.677 121.693 121.223 -0.344 0.000 2.046 297 L HA -0.219 4.110 4.340 -0.018 0.000 0.208 297 L C 2.206 178.796 176.870 -0.467 0.000 1.077 297 L CA 1.317 55.844 54.840 -0.521 0.000 0.747 297 L CB -0.375 41.013 42.059 -1.118 0.000 0.896 297 L HN 0.264 nan 8.230 nan 0.000 0.432 298 E N -0.307 119.642 120.200 -0.419 0.000 2.085 298 E HA -0.272 4.068 4.350 -0.018 0.000 0.194 298 E C 2.284 178.911 176.600 0.045 0.000 0.994 298 E CA 1.175 57.573 56.400 -0.004 0.000 0.801 298 E CB -0.030 29.733 29.700 0.105 0.000 0.743 298 E HN 0.297 nan 8.360 nan 0.000 0.453 299 R N 0.537 121.026 120.500 -0.017 0.000 2.070 299 R HA -0.147 4.182 4.340 -0.018 0.000 0.232 299 R C 2.305 178.643 176.300 0.063 0.000 1.138 299 R CA 1.414 57.526 56.100 0.020 0.000 0.936 299 R CB -0.309 29.978 30.300 -0.023 0.000 0.839 299 R HN 0.138 nan 8.270 nan 0.000 0.429 300 A N 0.544 123.380 122.820 0.026 0.000 1.859 300 A HA -0.218 4.091 4.320 -0.018 0.000 0.217 300 A C 2.282 179.995 177.584 0.216 0.000 1.198 300 A CA 2.275 54.356 52.037 0.073 0.000 0.629 300 A CB -1.021 17.975 19.000 -0.007 0.000 0.830 300 A HN 0.502 nan 8.150 nan 0.000 0.446 301 S N -1.057 114.790 115.700 0.244 0.000 2.374 301 S HA -0.236 4.223 4.470 -0.018 0.000 0.227 301 S C 2.115 176.977 174.600 0.436 0.000 1.037 301 S CA 1.653 60.094 58.200 0.400 0.000 1.024 301 S CB -0.383 63.024 63.200 0.344 0.000 0.861 301 S HN 0.629 nan 8.310 nan 0.000 0.456 302 R N 1.054 121.723 120.500 0.282 0.000 2.073 302 R HA -0.076 4.254 4.340 -0.018 0.000 0.234 302 R C 1.963 178.429 176.300 0.276 0.000 1.134 302 R CA 1.173 57.425 56.100 0.252 0.000 0.952 302 R CB -0.086 30.308 30.300 0.157 0.000 0.850 302 R HN 0.143 nan 8.270 nan 0.000 0.433 303 K N 0.599 121.138 120.400 0.232 0.000 2.097 303 K HA -0.126 4.184 4.320 -0.018 0.000 0.206 303 K C 2.050 178.745 176.600 0.159 0.000 1.049 303 K CA 1.239 57.657 56.287 0.219 0.000 0.933 303 K CB -0.278 32.384 32.500 0.270 0.000 0.717 303 K HN 0.369 nan 8.250 nan 0.000 0.442 304 I N -0.203 120.507 120.570 0.233 0.000 2.439 304 I HA -0.201 3.958 4.170 -0.018 0.000 0.251 304 I C 2.213 178.322 176.117 -0.015 0.000 1.139 304 I CA 0.569 61.910 61.300 0.068 0.000 1.438 304 I CB -0.216 37.866 38.000 0.137 0.000 1.085 304 I HN -0.064 nan 8.210 nan 0.000 0.427 305 F N 2.279 122.256 119.950 0.045 0.000 2.102 305 F HA -0.222 4.295 4.527 -0.017 0.000 0.298 305 F C 2.414 178.211 175.800 -0.005 0.000 1.105 305 F CA 1.796 59.830 58.000 0.057 0.000 1.239 305 F CB -0.173 38.943 39.000 0.194 0.000 0.991 305 F HN 0.036 nan 8.300 nan 0.000 0.474 306 E N -0.813 119.482 120.200 0.157 0.000 2.268 306 E HA -0.218 4.121 4.350 -0.018 0.000 0.195 306 E C 1.984 178.513 176.600 -0.120 0.000 0.995 306 E CA 1.115 57.534 56.400 0.032 0.000 0.836 306 E CB -0.504 29.261 29.700 0.108 0.000 0.763 306 E HN 0.553 nan 8.360 nan 0.000 0.491 307 F N 1.369 121.110 119.950 -0.349 0.000 2.163 307 F HA -0.043 4.473 4.527 -0.018 0.000 0.297 307 F C 1.793 177.420 175.800 -0.289 0.000 1.094 307 F CA 0.971 58.678 58.000 -0.488 0.000 1.290 307 F CB -0.103 38.291 39.000 -1.010 0.000 1.017 307 F HN -0.129 nan 8.300 nan 0.000 0.483 308 L N 0.663 121.634 121.223 -0.421 0.000 2.093 308 L HA -0.182 4.147 4.340 -0.018 0.000 0.208 308 L C 2.539 179.199 176.870 -0.349 0.000 1.085 308 L CA 1.883 56.506 54.840 -0.362 0.000 0.755 308 L CB -0.856 41.029 42.059 -0.290 0.000 0.904 308 L HN 0.324 nan 8.230 nan 0.000 0.435 309 E N 0.838 120.793 120.200 -0.408 0.000 2.216 309 E HA -0.210 4.129 4.350 -0.018 0.000 0.192 309 E C 2.059 178.506 176.600 -0.255 0.000 0.988 309 E CA 0.685 56.892 56.400 -0.323 0.000 0.834 309 E CB -0.181 29.332 29.700 -0.310 0.000 0.772 309 E HN 0.569 nan 8.360 nan 0.000 0.479 310 R N 0.725 121.064 120.500 -0.269 0.000 2.240 310 R HA 0.081 4.410 4.340 -0.018 0.000 0.203 310 R C 1.280 177.393 176.300 -0.313 0.000 1.011 310 R CA 0.820 56.785 56.100 -0.225 0.000 1.007 310 R CB 0.043 30.245 30.300 -0.162 0.000 0.911 310 R HN -0.033 nan 8.270 nan 0.000 0.468 311 E N 1.287 121.214 120.200 -0.456 0.000 2.403 311 E HA 0.069 4.408 4.350 -0.018 0.000 0.188 311 E C -0.725 175.453 176.600 -0.703 0.000 1.056 311 E CA -0.077 55.993 56.400 -0.549 0.000 0.892 311 E CB -0.374 28.929 29.700 -0.663 0.000 1.049 311 E HN 0.467 nan 8.360 nan 0.000 0.465 312 N N -1.172 117.232 118.700 -0.493 0.000 2.725 312 N HA -0.231 4.499 4.740 -0.018 0.000 0.249 312 N C -0.266 174.964 175.510 -0.467 0.000 1.103 312 N CA 0.502 53.295 53.050 -0.428 0.000 0.707 312 N CB -1.294 36.962 38.487 -0.385 0.000 1.043 312 N HN 0.146 nan 8.380 nan 0.000 0.553 313 F N 0.254 120.097 119.950 -0.178 0.000 2.765 313 F HA 0.315 4.832 4.527 -0.018 0.000 0.302 313 F C 1.044 176.784 175.800 -0.100 0.000 1.111 313 F CA 0.107 58.033 58.000 -0.123 0.000 1.359 313 F CB -0.025 38.894 39.000 -0.136 0.000 1.097 313 F HN 0.095 nan 8.300 nan 0.000 0.577 314 M N 1.091 120.684 119.600 -0.012 0.000 2.852 314 M HA -0.161 4.308 4.480 -0.018 0.000 0.176 314 M C -2.537 173.757 176.300 -0.009 0.000 1.160 314 M CA -0.215 55.072 55.300 -0.022 0.000 0.702 314 M CB -1.557 31.050 32.600 0.012 0.000 1.193 314 M HN -0.123 nan 8.290 nan 0.000 0.775 315 P HA 0.162 nan 4.420 nan 0.000 0.275 315 P C 0.168 177.532 177.300 0.106 0.000 1.228 315 P CA -0.133 62.906 63.100 -0.102 0.000 0.786 315 P CB 1.075 32.425 31.700 -0.583 0.000 0.927 316 L N 1.288 122.654 121.223 0.238 0.000 2.362 316 L HA 0.275 4.605 4.340 -0.018 0.000 0.204 316 L C 1.367 178.418 176.870 0.302 0.000 1.060 316 L CA 0.687 55.678 54.840 0.251 0.000 0.827 316 L CB -0.039 42.112 42.059 0.153 0.000 1.027 316 L HN 0.421 nan 8.230 nan 0.000 0.474 317 R N -1.094 119.595 120.500 0.315 0.000 2.716 317 R HA 0.417 4.747 4.340 -0.018 0.000 0.271 317 R C -1.166 175.258 176.300 0.206 0.000 1.028 317 R CA -0.353 55.855 56.100 0.180 0.000 0.883 317 R CB 2.219 32.541 30.300 0.037 0.000 1.250 317 R HN 0.061 nan 8.270 nan 0.000 0.465 318 S N -0.027 115.685 115.700 0.020 0.000 2.671 318 S HA 0.982 5.442 4.470 -0.018 0.000 0.299 318 S C -0.942 173.535 174.600 -0.206 0.000 1.116 318 S CA -0.330 57.835 58.200 -0.058 0.000 0.912 318 S CB 2.560 65.817 63.200 0.095 0.000 1.130 318 S HN 0.859 nan 8.310 nan 0.000 0.501 319 A N 0.296 122.928 122.820 -0.312 0.000 2.511 319 A HA 0.840 5.149 4.320 -0.018 0.000 0.293 319 A C -1.831 175.611 177.584 -0.236 0.000 1.098 319 A CA -0.763 51.059 52.037 -0.357 0.000 0.643 319 A CB 0.598 19.422 19.000 -0.293 0.000 1.302 319 A HN 2.001 nan 8.150 nan 0.000 0.446 320 F N -1.618 118.290 119.950 -0.070 0.000 2.688 320 F HA 0.850 5.366 4.527 -0.017 0.000 0.308 320 F C -1.058 174.761 175.800 0.032 0.000 1.117 320 F CA -0.966 57.020 58.000 -0.022 0.000 0.976 320 F CB 1.311 40.311 39.000 -0.000 0.000 1.291 320 F HN 0.578 nan 8.300 nan 0.000 0.439 321 K N 1.839 122.429 120.400 0.317 0.000 2.385 321 K HA 0.906 5.216 4.320 -0.018 0.000 0.248 321 K C -1.701 175.057 176.600 0.264 0.000 0.955 321 K CA -0.785 55.650 56.287 0.246 0.000 0.816 321 K CB 2.346 34.890 32.500 0.074 0.000 1.250 321 K HN 1.171 nan 8.250 nan 0.000 0.434 322 A N 1.639 124.584 122.820 0.210 0.000 2.393 322 A HA 0.721 5.030 4.320 -0.018 0.000 0.306 322 A C -0.950 176.725 177.584 0.151 0.000 1.050 322 A CA -0.490 51.616 52.037 0.115 0.000 0.724 322 A CB 1.259 20.239 19.000 -0.035 0.000 1.248 322 A HN 0.635 nan 8.150 nan 0.000 0.424 323 S N -0.009 115.772 115.700 0.136 0.000 2.810 323 S HA 0.441 4.901 4.470 -0.018 0.000 0.315 323 S C 0.475 175.103 174.600 0.047 0.000 1.138 323 S CA -0.642 57.634 58.200 0.127 0.000 0.889 323 S CB 1.094 64.424 63.200 0.217 0.000 1.236 323 S HN 0.689 nan 8.310 nan 0.000 0.548 324 E N 1.767 121.983 120.200 0.028 0.000 2.047 324 E HA -0.147 4.193 4.350 -0.018 0.000 0.191 324 E C 2.006 178.538 176.600 -0.114 0.000 0.987 324 E CA 1.395 57.778 56.400 -0.028 0.000 0.799 324 E CB -0.329 29.359 29.700 -0.021 0.000 0.752 324 E HN 0.804 nan 8.360 nan 0.000 0.449 325 E N -0.376 119.745 120.200 -0.131 0.000 2.015 325 E HA -0.101 4.238 4.350 -0.018 0.000 0.191 325 E C 0.344 176.459 176.600 -0.807 0.000 0.991 325 E CA 0.879 57.026 56.400 -0.420 0.000 0.802 325 E CB -0.126 29.492 29.700 -0.137 0.000 0.759 325 E HN 0.080 nan 8.360 nan 0.000 0.447 326 F N -0.693 119.199 119.950 -0.096 0.000 2.824 326 F HA 0.509 5.025 4.527 -0.018 0.000 0.330 326 F C -0.651 174.926 175.800 -0.371 0.000 1.175 326 F CA -1.321 56.509 58.000 -0.283 0.000 0.974 326 F CB 1.381 40.115 39.000 -0.443 0.000 1.430 326 F HN -0.013 nan 8.300 nan 0.000 0.507 327 C N 0.447 119.435 119.300 -0.520 0.000 2.563 327 C HA 0.714 5.163 4.460 -0.018 0.000 0.314 327 C C -1.480 173.086 174.990 -0.708 0.000 1.199 327 C CA -1.003 57.678 59.018 -0.561 0.000 1.564 327 C CB 0.742 28.000 27.740 -0.804 0.000 2.173 327 C HN 0.531 nan 8.230 nan 0.000 0.485 328 Y N 2.338 122.531 120.300 -0.178 0.000 2.350 328 Y HA 0.629 5.169 4.550 -0.018 0.000 0.338 328 Y C -0.006 175.907 175.900 0.021 0.000 0.961 328 Y CA -0.817 57.241 58.100 -0.071 0.000 1.100 328 Y CB 0.718 39.155 38.460 -0.039 0.000 1.179 328 Y HN 0.399 nan 8.280 nan 0.000 0.454 329 L N 5.493 126.833 121.223 0.195 0.000 2.265 329 L HA 0.471 4.801 4.340 -0.018 0.000 0.289 329 L C -0.998 175.744 176.870 -0.213 0.000 1.033 329 L CA -0.648 54.228 54.840 0.060 0.000 0.814 329 L CB 0.674 42.869 42.059 0.226 0.000 1.203 329 L HN 0.444 nan 8.230 nan 0.000 0.423 330 L N 3.876 124.831 121.223 -0.447 0.000 2.344 330 L HA 0.644 4.974 4.340 -0.018 0.000 0.272 330 L C -0.571 175.731 176.870 -0.947 0.000 1.035 330 L CA 0.045 54.595 54.840 -0.483 0.000 0.807 330 L CB 1.309 43.228 42.059 -0.234 0.000 1.237 330 L HN 0.223 nan 8.230 nan 0.000 0.442 331 F N -0.525 119.242 119.950 -0.305 0.000 2.662 331 F HA 0.602 5.119 4.527 -0.018 0.000 0.312 331 F C -0.404 175.200 175.800 -0.327 0.000 1.113 331 F CA -0.825 56.964 58.000 -0.353 0.000 0.951 331 F CB 1.948 40.550 39.000 -0.664 0.000 1.344 331 F HN 0.413 nan 8.300 nan 0.000 0.462 332 E N 1.058 121.311 120.200 0.088 0.000 2.291 332 E HA 0.641 4.980 4.350 -0.018 0.000 0.276 332 E C -1.965 174.721 176.600 0.142 0.000 0.896 332 E CA -0.344 56.112 56.400 0.094 0.000 0.774 332 E CB 1.751 31.506 29.700 0.092 0.000 1.227 332 E HN 0.737 nan 8.360 nan 0.000 0.413 333 C N 2.651 122.044 119.300 0.156 0.000 2.848 333 C HA 0.334 4.784 4.460 -0.018 0.000 0.317 333 C C 1.081 176.148 174.990 0.130 0.000 1.260 333 C CA -0.505 58.600 59.018 0.146 0.000 1.656 333 C CB 1.890 29.737 27.740 0.180 0.000 2.174 333 C HN 0.886 nan 8.230 nan 0.000 0.479 334 Q N 0.230 120.098 119.800 0.113 0.000 2.408 334 Q HA 0.234 4.564 4.340 -0.018 0.000 0.205 334 Q C -0.285 175.778 176.000 0.105 0.000 0.919 334 Q CA 0.780 56.640 55.803 0.095 0.000 0.932 334 Q CB 0.296 29.077 28.738 0.071 0.000 1.058 334 Q HN 0.522 nan 8.270 nan 0.000 0.517 335 I N 1.088 121.746 120.570 0.146 0.000 2.405 335 I HA 0.149 4.308 4.170 -0.018 0.000 0.280 335 I C 0.529 176.757 176.117 0.185 0.000 1.027 335 I CA -0.061 61.346 61.300 0.178 0.000 1.161 335 I CB 1.326 39.475 38.000 0.248 0.000 1.300 335 I HN -0.012 nan 8.210 nan 0.000 0.463 336 K N 3.458 123.933 120.400 0.124 0.000 2.155 336 K HA -0.004 4.305 4.320 -0.018 0.000 0.203 336 K C 0.492 177.142 176.600 0.083 0.000 1.052 336 K CA 0.908 57.245 56.287 0.082 0.000 0.948 336 K CB 0.548 33.090 32.500 0.070 0.000 0.728 336 K HN 0.590 nan 8.250 nan 0.000 0.448 337 E N 0.549 120.828 120.200 0.132 0.000 2.343 337 E HA 0.242 4.581 4.350 -0.018 0.000 0.286 337 E C -1.791 174.904 176.600 0.159 0.000 0.915 337 E CA -0.369 56.122 56.400 0.152 0.000 0.784 337 E CB 1.325 31.081 29.700 0.092 0.000 1.251 337 E HN 0.032 nan 8.360 nan 0.000 0.407 338 I N 2.775 123.466 120.570 0.202 0.000 2.822 338 I HA 0.448 4.608 4.170 -0.018 0.000 0.312 338 I C 0.266 176.428 176.117 0.075 0.000 1.011 338 I CA -0.524 60.833 61.300 0.095 0.000 1.105 338 I CB 1.613 39.606 38.000 -0.013 0.000 1.291 338 I HN 0.764 nan 8.210 nan 0.000 0.474 339 S N 4.371 120.094 115.700 0.039 0.000 2.596 339 S HA 0.162 4.621 4.470 -0.018 0.000 0.260 339 S C 0.867 175.504 174.600 0.062 0.000 1.336 339 S CA -0.249 57.974 58.200 0.038 0.000 0.993 339 S CB 1.257 64.463 63.200 0.010 0.000 0.923 339 S HN 0.778 nan 8.310 nan 0.000 0.567 340 R N 0.202 120.741 120.500 0.065 0.000 2.075 340 R HA 0.145 4.474 4.340 -0.018 0.000 0.226 340 R C 0.157 176.550 176.300 0.155 0.000 1.114 340 R CA 0.808 56.965 56.100 0.096 0.000 0.972 340 R CB -0.618 29.733 30.300 0.086 0.000 0.869 340 R HN 0.682 nan 8.270 nan 0.000 0.437 341 V N 1.624 121.590 119.914 0.087 0.000 2.775 341 V HA 0.296 4.405 4.120 -0.018 0.000 0.299 341 V C -0.101 176.116 176.094 0.205 0.000 1.062 341 V CA -0.295 62.044 62.300 0.064 0.000 1.063 341 V CB 0.554 32.261 31.823 -0.194 0.000 0.994 341 V HN 0.259 nan 8.190 nan 0.000 0.483 342 F N 1.277 121.292 119.950 0.109 0.000 2.686 342 F HA 0.820 5.337 4.527 -0.017 0.000 0.311 342 F C -0.625 175.337 175.800 0.269 0.000 1.128 342 F CA -1.630 56.450 58.000 0.133 0.000 0.946 342 F CB 1.704 40.735 39.000 0.051 0.000 1.336 342 F HN 0.551 nan 8.300 nan 0.000 0.457 343 R N 1.778 122.478 120.500 0.334 0.000 2.407 343 R HA 0.671 5.000 4.340 -0.018 0.000 0.303 343 R C -1.124 175.392 176.300 0.360 0.000 0.981 343 R CA -0.913 55.348 56.100 0.269 0.000 0.905 343 R CB 2.123 32.608 30.300 0.309 0.000 1.099 343 R HN 0.941 nan 8.270 nan 0.000 0.459 344 R N 3.835 124.482 120.500 0.245 0.000 2.343 344 R HA 0.249 4.578 4.340 -0.018 0.000 0.320 344 R C -0.505 175.857 176.300 0.103 0.000 0.956 344 R CA -0.588 55.656 56.100 0.240 0.000 0.836 344 R CB 1.389 31.794 30.300 0.174 0.000 1.151 344 R HN 0.793 nan 8.270 nan 0.000 0.450 345 M N 4.209 123.700 119.600 -0.181 0.000 2.246 345 M HA 0.230 4.699 4.480 -0.018 0.000 0.350 345 M C -0.115 175.701 176.300 -0.807 0.000 1.406 345 M CA 0.472 55.211 55.300 -0.936 0.000 1.089 345 M CB 0.773 32.872 32.600 -0.834 0.000 1.782 345 M HN 0.864 nan 8.290 nan 0.000 0.457 346 G N 5.017 113.121 108.800 -1.160 0.000 2.753 346 G HA2 0.707 4.657 3.960 -0.018 0.000 0.285 346 G HA3 0.707 4.657 3.960 -0.018 0.000 0.285 346 G C -2.941 171.418 174.900 -0.902 0.000 1.344 346 G CA -1.156 43.013 45.100 -1.552 0.000 1.050 346 G HN 0.519 nan 8.290 nan 0.000 0.532 347 P HA 0.112 nan 4.420 nan 0.000 0.273 347 P C -0.627 176.561 177.300 -0.187 0.000 1.250 347 P CA -0.145 62.744 63.100 -0.353 0.000 0.793 347 P CB 0.794 32.341 31.700 -0.255 0.000 1.011 348 Q N -0.259 119.459 119.800 -0.137 0.000 2.354 348 Q HA 0.097 4.427 4.340 -0.018 0.000 0.244 348 Q C 1.288 177.296 176.000 0.014 0.000 0.969 348 Q CA -0.195 55.559 55.803 -0.081 0.000 0.885 348 Q CB 0.199 28.836 28.738 -0.169 0.000 1.241 348 Q HN 0.471 nan 8.270 nan 0.000 0.461 349 F N 1.527 121.538 119.950 0.102 0.000 2.154 349 F HA -0.216 4.300 4.527 -0.018 0.000 0.301 349 F C 1.531 177.421 175.800 0.150 0.000 1.087 349 F CA 1.563 59.684 58.000 0.202 0.000 1.274 349 F CB -0.313 38.737 39.000 0.084 0.000 1.009 349 F HN 0.572 nan 8.300 nan 0.000 0.485 350 E N 0.542 120.310 120.200 -0.721 0.000 2.485 350 E HA -0.076 4.263 4.350 -0.018 0.000 0.194 350 E C -0.461 176.041 176.600 -0.163 0.000 1.098 350 E CA 0.455 56.621 56.400 -0.389 0.000 0.878 350 E CB -0.878 28.460 29.700 -0.603 0.000 0.939 350 E HN 0.467 nan 8.360 nan 0.000 0.503 351 D N 1.828 122.160 120.400 -0.113 0.000 2.485 351 D HA 0.040 4.669 4.640 -0.018 0.000 0.229 351 D C 0.735 177.015 176.300 -0.033 0.000 1.101 351 D CA -0.358 53.593 54.000 -0.081 0.000 0.906 351 D CB 0.911 41.650 40.800 -0.101 0.000 1.019 351 D HN 0.119 nan 8.370 nan 0.000 0.516 352 E N 3.061 123.253 120.200 -0.013 0.000 2.085 352 E HA -0.263 4.076 4.350 -0.018 0.000 0.194 352 E C 1.659 178.241 176.600 -0.030 0.000 0.994 352 E CA 0.801 57.198 56.400 -0.004 0.000 0.801 352 E CB 0.319 30.025 29.700 0.009 0.000 0.743 352 E HN 0.311 nan 8.360 nan 0.000 0.453 353 R N 0.609 121.088 120.500 -0.034 0.000 2.082 353 R HA -0.144 4.185 4.340 -0.018 0.000 0.234 353 R C 2.092 178.365 176.300 -0.046 0.000 1.136 353 R CA 2.252 58.329 56.100 -0.038 0.000 0.935 353 R CB -0.172 30.107 30.300 -0.037 0.000 0.842 353 R HN 0.200 nan 8.270 nan 0.000 0.430 354 N N -0.305 118.361 118.700 -0.056 0.000 2.216 354 N HA -0.102 4.628 4.740 -0.018 0.000 0.183 354 N C 1.805 177.277 175.510 -0.063 0.000 1.017 354 N CA 1.347 54.360 53.050 -0.061 0.000 0.861 354 N CB -0.165 38.270 38.487 -0.087 0.000 0.986 354 N HN 0.072 nan 8.380 nan 0.000 0.428 355 V N 1.957 121.815 119.914 -0.094 0.000 2.282 355 V HA -0.263 3.846 4.120 -0.018 0.000 0.249 355 V C 2.520 178.514 176.094 -0.167 0.000 1.057 355 V CA 1.643 63.840 62.300 -0.172 0.000 1.032 355 V CB -0.468 31.240 31.823 -0.192 0.000 0.645 355 V HN 0.325 nan 8.190 nan 0.000 0.447 356 K N 0.009 120.338 120.400 -0.119 0.000 2.009 356 K HA -0.229 4.080 4.320 -0.018 0.000 0.210 356 K C 2.274 178.822 176.600 -0.086 0.000 1.049 356 K CA 1.746 57.968 56.287 -0.108 0.000 0.929 356 K CB -0.137 32.320 32.500 -0.070 0.000 0.714 356 K HN 0.433 nan 8.250 nan 0.000 0.440 357 K N -0.205 120.166 120.400 -0.048 0.000 2.009 357 K HA -0.177 4.133 4.320 -0.018 0.000 0.210 357 K C 2.022 178.615 176.600 -0.012 0.000 1.049 357 K CA 1.605 57.875 56.287 -0.028 0.000 0.929 357 K CB -0.382 32.113 32.500 -0.009 0.000 0.714 357 K HN 0.122 nan 8.250 nan 0.000 0.440 358 F N 1.774 121.626 119.950 -0.165 0.000 2.287 358 F HA -0.164 4.353 4.527 -0.018 0.000 0.301 358 F C 1.557 177.235 175.800 -0.205 0.000 1.069 358 F CA 1.268 59.160 58.000 -0.181 0.000 1.372 358 F CB 0.034 38.901 39.000 -0.220 0.000 1.056 358 F HN -0.048 nan 8.300 nan 0.000 0.523 359 L N -0.909 120.168 121.223 -0.243 0.000 2.463 359 L HA -0.014 4.315 4.340 -0.018 0.000 0.219 359 L C 2.435 179.171 176.870 -0.225 0.000 1.088 359 L CA 0.863 55.509 54.840 -0.324 0.000 0.849 359 L CB -0.665 41.193 42.059 -0.335 0.000 1.012 359 L HN 0.175 nan 8.230 nan 0.000 0.468 360 S N -0.686 114.917 115.700 -0.162 0.000 2.447 360 S HA -0.075 4.385 4.470 -0.018 0.000 0.233 360 S C 1.274 175.802 174.600 -0.119 0.000 1.006 360 S CA 0.312 58.442 58.200 -0.116 0.000 0.957 360 S CB -0.247 62.904 63.200 -0.081 0.000 0.773 360 S HN 0.214 nan 8.310 nan 0.000 0.507 361 R N 4.234 124.638 120.500 -0.159 0.000 2.357 361 R HA 0.120 4.450 4.340 -0.018 0.000 0.330 361 R C -0.140 176.068 176.300 -0.153 0.000 1.102 361 R CA -0.066 55.944 56.100 -0.150 0.000 0.974 361 R CB -0.358 29.828 30.300 -0.191 0.000 1.002 361 R HN 0.691 nan 8.270 nan 0.000 0.463 362 N N 3.622 122.259 118.700 -0.105 0.000 2.447 362 N HA -0.009 4.721 4.740 -0.018 0.000 0.263 362 N C -0.499 174.958 175.510 -0.087 0.000 1.226 362 N CA 0.391 53.386 53.050 -0.090 0.000 0.906 362 N CB 1.061 39.508 38.487 -0.066 0.000 1.060 362 N HN 0.367 nan 8.380 nan 0.000 0.468 363 R N 0.995 121.445 120.500 -0.084 0.000 2.912 363 R HA 0.594 4.923 4.340 -0.018 0.000 0.262 363 R C 0.524 176.785 176.300 -0.065 0.000 1.057 363 R CA -0.812 55.252 56.100 -0.060 0.000 0.981 363 R CB 1.244 31.514 30.300 -0.051 0.000 1.201 363 R HN 0.638 nan 8.270 nan 0.000 0.484 364 A N 0.434 123.203 122.820 -0.085 0.000 2.067 364 A HA 0.056 4.366 4.320 -0.018 0.000 0.217 364 A C 0.900 178.216 177.584 -0.447 0.000 1.156 364 A CA 1.074 52.946 52.037 -0.275 0.000 0.683 364 A CB -0.068 18.724 19.000 -0.346 0.000 0.808 364 A HN 0.591 nan 8.150 nan 0.000 0.455 365 F N -1.468 118.531 119.950 0.082 0.000 2.706 365 F HA 0.342 4.858 4.527 -0.017 0.000 0.313 365 F C 0.633 176.557 175.800 0.207 0.000 1.096 365 F CA -0.043 58.054 58.000 0.161 0.000 1.219 365 F CB 0.566 39.725 39.000 0.265 0.000 1.051 365 F HN 0.172 nan 8.300 nan 0.000 0.568 366 R N 2.199 122.854 120.500 0.258 0.000 2.022 366 R HA -0.112 4.217 4.340 -0.018 0.000 0.372 366 R C -2.875 173.603 176.300 0.296 0.000 1.161 366 R CA -0.361 55.873 56.100 0.224 0.000 0.928 366 R CB -1.087 29.350 30.300 0.228 0.000 2.817 366 R HN 0.065 nan 8.270 nan 0.000 0.489 367 P HA 0.113 nan 4.420 nan 0.000 0.271 367 P C -0.291 177.286 177.300 0.461 0.000 1.238 367 P CA 0.249 63.497 63.100 0.246 0.000 0.794 367 P CB 0.250 32.064 31.700 0.189 0.000 0.959 368 F N -2.127 117.992 119.950 0.281 0.000 2.726 368 F HA 0.709 5.225 4.527 -0.018 0.000 0.324 368 F C -0.787 174.961 175.800 -0.087 0.000 1.140 368 F CA -1.545 56.499 58.000 0.074 0.000 0.964 368 F CB 0.572 39.558 39.000 -0.024 0.000 1.399 368 F HN 0.034 nan 8.300 nan 0.000 0.491 369 I N 0.858 121.331 120.570 -0.162 0.000 2.525 369 I HA 0.526 4.686 4.170 -0.018 0.000 0.301 369 I C -0.890 175.272 176.117 0.074 0.000 0.992 369 I CA -0.594 60.518 61.300 -0.313 0.000 1.162 369 I CB 1.990 39.616 38.000 -0.623 0.000 1.332 369 I HN 0.784 nan 8.210 nan 0.000 0.458 370 E N 5.144 125.413 120.200 0.114 0.000 2.347 370 E HA 0.195 4.534 4.350 -0.018 0.000 0.285 370 E C -1.127 175.569 176.600 0.161 0.000 0.925 370 E CA -0.606 55.865 56.400 0.117 0.000 0.779 370 E CB 1.104 30.825 29.700 0.034 0.000 1.233 370 E HN 0.667 nan 8.360 nan 0.000 0.414 371 N N 2.909 121.661 118.700 0.085 0.000 2.699 371 N HA -0.260 4.469 4.740 -0.018 0.000 0.256 371 N C 0.637 176.235 175.510 0.147 0.000 0.993 371 N CA 1.576 54.689 53.050 0.104 0.000 0.759 371 N CB -1.171 37.388 38.487 0.120 0.000 0.906 371 N HN 1.018 nan 8.380 nan 0.000 0.541 372 G N -0.569 108.312 108.800 0.135 0.000 2.184 372 G HA2 -0.374 3.576 3.960 -0.018 0.000 0.264 372 G HA3 -0.374 3.576 3.960 -0.018 0.000 0.264 372 G C 0.113 175.185 174.900 0.287 0.000 0.975 372 G CA 1.037 46.318 45.100 0.301 0.000 0.642 372 G HN 0.911 nan 8.290 nan 0.000 0.536 373 R N -1.604 118.979 120.500 0.138 0.000 2.836 373 R HA 0.654 4.983 4.340 -0.018 0.000 0.269 373 R C -0.831 175.424 176.300 -0.076 0.000 1.010 373 R CA -1.337 54.776 56.100 0.021 0.000 0.930 373 R CB 0.952 31.179 30.300 -0.121 0.000 1.218 373 R HN 0.102 nan 8.270 nan 0.000 0.473 374 W N 0.548 121.706 121.300 -0.236 0.000 2.303 374 W HA 0.413 5.063 4.660 -0.018 0.000 0.334 374 W C -0.642 175.539 176.519 -0.562 0.000 1.197 374 W CA 0.255 57.474 57.345 -0.211 0.000 1.262 374 W CB 0.795 30.218 29.460 -0.060 0.000 1.153 374 W HN 0.446 nan 8.180 nan 0.000 0.596 375 W N 0.798 121.993 121.300 -0.175 0.000 3.029 375 W HA 0.719 5.369 4.660 -0.018 0.000 0.339 375 W C -0.638 175.701 176.519 -0.299 0.000 1.198 375 W CA -1.162 55.957 57.345 -0.376 0.000 1.148 375 W CB 1.252 30.176 29.460 -0.893 0.000 1.451 375 W HN 0.420 nan 8.180 nan 0.000 0.564 376 A N 1.263 124.122 122.820 0.066 0.000 2.515 376 A HA 0.824 5.133 4.320 -0.018 0.000 0.298 376 A C -1.839 175.688 177.584 -0.095 0.000 1.059 376 A CA -0.779 51.222 52.037 -0.059 0.000 0.698 376 A CB 0.773 19.725 19.000 -0.079 0.000 1.289 376 A HN 0.525 nan 8.150 nan 0.000 0.404 377 F N 0.718 120.723 119.950 0.092 0.000 2.394 377 F HA 0.568 5.084 4.527 -0.018 0.000 0.340 377 F C 0.731 176.445 175.800 -0.143 0.000 1.105 377 F CA 0.145 58.136 58.000 -0.015 0.000 1.124 377 F CB 1.536 40.557 39.000 0.034 0.000 1.145 377 F HN 0.704 nan 8.300 nan 0.000 0.505 378 E N 2.123 122.181 120.200 -0.236 0.000 2.367 378 E HA 0.469 4.808 4.350 -0.018 0.000 0.273 378 E C -1.190 175.292 176.600 -0.197 0.000 0.903 378 E CA -0.800 55.370 56.400 -0.383 0.000 0.764 378 E CB 1.451 30.619 29.700 -0.888 0.000 1.252 378 E HN 0.295 nan 8.360 nan 0.000 0.446 379 M N 1.945 121.592 119.600 0.078 0.000 2.363 379 M HA 0.485 4.954 4.480 -0.018 0.000 0.343 379 M C -0.037 176.424 176.300 0.268 0.000 1.165 379 M CA -0.363 55.052 55.300 0.190 0.000 1.046 379 M CB 1.182 33.866 32.600 0.139 0.000 1.648 379 M HN 0.410 nan 8.290 nan 0.000 0.452 380 R N 1.038 121.658 120.500 0.200 0.000 2.543 380 R HA 0.323 4.653 4.340 -0.018 0.000 0.268 380 R C 0.952 177.189 176.300 -0.105 0.000 1.067 380 R CA -0.712 55.377 56.100 -0.017 0.000 1.142 380 R CB 1.270 31.477 30.300 -0.155 0.000 1.110 380 R HN 0.477 nan 8.270 nan 0.000 0.549 381 K N 1.032 121.241 120.400 -0.318 0.000 2.361 381 K HA 0.088 4.397 4.320 -0.018 0.000 0.196 381 K C -0.085 176.499 176.600 -0.028 0.000 1.039 381 K CA 0.745 56.941 56.287 -0.152 0.000 1.001 381 K CB 0.266 32.719 32.500 -0.079 0.000 0.795 381 K HN 0.371 nan 8.250 nan 0.000 0.495 382 F N -1.883 118.149 119.950 0.138 0.000 2.619 382 F HA 0.298 4.814 4.527 -0.018 0.000 0.308 382 F C 0.450 176.360 175.800 0.183 0.000 1.097 382 F CA -1.196 56.891 58.000 0.144 0.000 0.953 382 F CB 0.919 40.016 39.000 0.160 0.000 1.287 382 F HN -0.187 nan 8.300 nan 0.000 0.446 383 T N -2.596 112.184 114.554 0.378 0.000 3.040 383 T HA 0.343 4.682 4.350 -0.018 0.000 0.266 383 T C 0.221 175.135 174.700 0.356 0.000 1.005 383 T CA 0.556 62.855 62.100 0.331 0.000 0.906 383 T CB -0.442 68.535 68.868 0.181 0.000 1.082 383 T HN 1.029 nan 8.240 nan 0.000 0.531 384 T N -1.545 113.134 114.554 0.208 0.000 2.916 384 T HA 0.618 4.958 4.350 -0.018 0.000 0.292 384 T C -2.517 171.759 174.700 -0.706 0.000 1.064 384 T CA -1.855 60.178 62.100 -0.112 0.000 1.011 384 T CB 2.105 70.898 68.868 -0.126 0.000 1.152 384 T HN -0.318 nan 8.240 nan 0.000 0.510 385 P HA -0.002 nan 4.420 nan 0.000 0.214 385 P C 1.197 177.913 177.300 -0.972 0.000 1.162 385 P CA 1.094 63.387 63.100 -1.345 0.000 0.879 385 P CB 0.045 31.287 31.700 -0.763 0.000 0.786 386 E N -0.117 119.456 120.200 -1.045 0.000 2.070 386 E HA -0.239 4.100 4.350 -0.018 0.000 0.197 386 E C 2.068 178.395 176.600 -0.455 0.000 1.004 386 E CA 1.387 57.256 56.400 -0.885 0.000 0.805 386 E CB -0.750 28.552 29.700 -0.662 0.000 0.744 386 E HN 0.395 nan 8.360 nan 0.000 0.451 387 E N -0.197 119.795 120.200 -0.347 0.000 2.085 387 E HA -0.162 4.177 4.350 -0.018 0.000 0.194 387 E C 2.142 178.569 176.600 -0.289 0.000 0.994 387 E CA 1.252 57.548 56.400 -0.174 0.000 0.801 387 E CB -0.291 29.397 29.700 -0.020 0.000 0.743 387 E HN 0.329 nan 8.360 nan 0.000 0.453 388 G N 0.077 108.566 108.800 -0.519 0.000 2.404 388 G HA2 -0.210 3.739 3.960 -0.018 0.000 0.215 388 G HA3 -0.210 3.739 3.960 -0.018 0.000 0.215 388 G C 1.600 176.214 174.900 -0.477 0.000 1.174 388 G CA 0.850 45.376 45.100 -0.956 0.000 0.780 388 G HN 0.234 nan 8.290 nan 0.000 0.537 389 V N 0.821 120.567 119.914 -0.281 0.000 2.759 389 V HA -0.067 4.043 4.120 -0.018 0.000 0.256 389 V C 2.662 178.669 176.094 -0.146 0.000 1.080 389 V CA 1.657 63.835 62.300 -0.204 0.000 1.101 389 V CB -0.405 31.381 31.823 -0.063 0.000 0.698 389 V HN 0.398 nan 8.190 nan 0.000 0.477 390 R N -0.165 120.283 120.500 -0.087 0.000 2.153 390 R HA -0.098 4.231 4.340 -0.018 0.000 0.218 390 R C 2.468 178.811 176.300 0.073 0.000 1.072 390 R CA 1.507 57.679 56.100 0.120 0.000 0.990 390 R CB -0.155 30.185 30.300 0.066 0.000 0.889 390 R HN 0.468 nan 8.270 nan 0.000 0.452 391 S N -0.280 115.371 115.700 -0.081 0.000 2.345 391 S HA -0.161 4.299 4.470 -0.018 0.000 0.219 391 S C 1.757 176.298 174.600 -0.099 0.000 1.031 391 S CA 0.845 59.025 58.200 -0.034 0.000 0.984 391 S CB -0.475 62.725 63.200 -0.001 0.000 0.874 391 S HN 0.521 nan 8.310 nan 0.000 0.451 392 Y N 2.282 122.257 120.300 -0.541 0.000 2.128 392 Y HA -0.063 4.476 4.550 -0.018 0.000 0.284 392 Y C 2.402 178.086 175.900 -0.361 0.000 1.154 392 Y CA 1.433 59.097 58.100 -0.726 0.000 1.149 392 Y CB -0.997 36.521 38.460 -1.569 0.000 0.976 392 Y HN 0.305 nan 8.280 nan 0.000 0.505 393 A N -1.110 121.457 122.820 -0.421 0.000 1.969 393 A HA -0.135 4.175 4.320 -0.018 0.000 0.218 393 A C 2.376 179.789 177.584 -0.285 0.000 1.169 393 A CA 1.846 53.555 52.037 -0.546 0.000 0.635 393 A CB -0.956 17.466 19.000 -0.964 0.000 0.810 393 A HN 0.478 nan 8.150 nan 0.000 0.445 394 S N -0.643 115.061 115.700 0.007 0.000 2.428 394 S HA -0.089 4.370 4.470 -0.018 0.000 0.230 394 S C 1.999 176.714 174.600 0.191 0.000 1.014 394 S CA 1.719 60.049 58.200 0.217 0.000 0.957 394 S CB -0.260 63.077 63.200 0.229 0.000 0.784 394 S HN 0.902 nan 8.310 nan 0.000 0.499 395 T N -1.970 112.642 114.554 0.096 0.000 2.990 395 T HA 0.167 4.506 4.350 -0.018 0.000 0.249 395 T C 0.808 175.412 174.700 -0.161 0.000 1.039 395 T CA 0.198 62.340 62.100 0.070 0.000 1.036 395 T CB -0.225 68.701 68.868 0.096 0.000 0.994 395 T HN 0.329 nan 8.240 nan 0.000 0.489 396 H N 0.774 119.589 119.070 -0.426 0.000 2.505 396 H HA 0.319 4.864 4.556 -0.018 0.000 0.286 396 H C 1.546 176.543 175.328 -0.552 0.000 1.072 396 H CA -0.985 54.697 56.048 -0.610 0.000 1.141 396 H CB -0.349 28.787 29.762 -1.044 0.000 1.550 396 H HN 0.513 nan 8.280 nan 0.000 0.547 397 W N -0.053 121.097 121.300 -0.250 0.000 2.305 397 W HA -0.297 4.353 4.660 -0.018 0.000 0.308 397 W C 1.432 177.846 176.519 -0.174 0.000 1.226 397 W CA 1.228 58.430 57.345 -0.238 0.000 1.253 397 W CB -1.058 28.296 29.460 -0.176 0.000 1.146 397 W HN 0.372 nan 8.180 nan 0.000 0.507 398 H N 0.914 119.217 119.070 -1.278 0.000 2.518 398 H HA -0.122 4.424 4.556 -0.018 0.000 0.292 398 H C 1.460 176.506 175.328 -0.470 0.000 1.068 398 H CA 2.049 57.439 56.048 -1.096 0.000 1.275 398 H CB -0.226 28.657 29.762 -1.465 0.000 1.375 398 H HN 0.162 nan 8.280 nan 0.000 0.563 399 T N 0.063 114.468 114.554 -0.247 0.000 3.122 399 T HA 0.167 4.507 4.350 -0.018 0.000 0.250 399 T C 1.286 175.935 174.700 -0.086 0.000 1.067 399 T CA -0.303 61.739 62.100 -0.097 0.000 0.966 399 T CB -0.203 68.661 68.868 -0.007 0.000 1.002 399 T HN 0.264 nan 8.240 nan 0.000 0.542 400 L N 1.354 122.495 121.223 -0.136 0.000 2.848 400 L HA 0.505 4.835 4.340 -0.018 0.000 0.240 400 L C 0.962 177.754 176.870 -0.130 0.000 1.232 400 L CA -0.495 54.279 54.840 -0.109 0.000 1.031 400 L CB -0.512 41.458 42.059 -0.148 0.000 1.338 400 L HN 0.318 nan 8.230 nan 0.000 0.509 401 G N 0.753 109.470 108.800 -0.139 0.000 2.697 401 G HA2 -0.217 3.733 3.960 -0.018 0.000 0.686 401 G HA3 -0.217 3.733 3.960 -0.018 0.000 0.686 401 G C 0.071 174.875 174.900 -0.160 0.000 1.179 401 G CA -0.109 44.910 45.100 -0.135 0.000 0.765 401 G HN 0.190 nan 8.290 nan 0.000 0.649 402 K N 0.773 121.087 120.400 -0.143 0.000 1.991 402 K HA -0.103 4.206 4.320 -0.018 0.000 0.212 402 K C 2.283 178.838 176.600 -0.076 0.000 1.049 402 K CA 2.652 58.861 56.287 -0.130 0.000 0.932 402 K CB -0.252 32.196 32.500 -0.087 0.000 0.717 402 K HN 0.485 nan 8.250 nan 0.000 0.441 403 N N -0.058 118.603 118.700 -0.066 0.000 2.124 403 N HA -0.106 4.624 4.740 -0.018 0.000 0.188 403 N C 1.929 177.409 175.510 -0.049 0.000 1.045 403 N CA 1.539 54.563 53.050 -0.044 0.000 0.846 403 N CB -0.653 37.812 38.487 -0.036 0.000 1.020 403 N HN 0.009 nan 8.380 nan 0.000 0.432 404 V N 1.589 121.458 119.914 -0.075 0.000 2.317 404 V HA -0.234 3.875 4.120 -0.018 0.000 0.251 404 V C 2.455 178.400 176.094 -0.248 0.000 1.065 404 V CA 2.226 64.438 62.300 -0.147 0.000 1.049 404 V CB -1.321 30.395 31.823 -0.179 0.000 0.651 404 V HN 0.422 nan 8.190 nan 0.000 0.450 405 G N -0.983 107.732 108.800 -0.143 0.000 2.402 405 G HA2 -0.224 3.725 3.960 -0.018 0.000 0.216 405 G HA3 -0.224 3.725 3.960 -0.018 0.000 0.216 405 G C 1.450 176.414 174.900 0.108 0.000 1.162 405 G CA 0.799 45.886 45.100 -0.021 0.000 0.777 405 G HN 0.570 nan 8.290 nan 0.000 0.539 406 E N 0.157 120.393 120.200 0.059 0.000 2.153 406 E HA -0.097 4.242 4.350 -0.018 0.000 0.194 406 E C 2.635 179.169 176.600 -0.111 0.000 0.988 406 E CA 1.021 57.394 56.400 -0.045 0.000 0.811 406 E CB -0.055 29.634 29.700 -0.018 0.000 0.746 406 E HN 0.425 nan 8.360 nan 0.000 0.466 407 S N 0.305 115.973 115.700 -0.052 0.000 2.377 407 S HA -0.056 4.403 4.470 -0.018 0.000 0.223 407 S C 1.960 176.575 174.600 0.026 0.000 1.030 407 S CA 0.475 58.691 58.200 0.026 0.000 0.970 407 S CB -0.065 63.221 63.200 0.143 0.000 0.830 407 S HN 0.171 nan 8.310 nan 0.000 0.473 408 I N 1.725 122.213 120.570 -0.137 0.000 2.226 408 I HA -0.176 3.983 4.170 -0.018 0.000 0.245 408 I C 2.855 178.964 176.117 -0.015 0.000 1.100 408 I CA 1.425 62.642 61.300 -0.138 0.000 1.374 408 I CB -0.438 37.319 38.000 -0.407 0.000 1.057 408 I HN 0.370 nan 8.210 nan 0.000 0.413 409 R N 1.790 122.185 120.500 -0.174 0.000 2.105 409 R HA -0.234 4.096 4.340 -0.018 0.000 0.239 409 R C 1.974 178.112 176.300 -0.271 0.000 1.135 409 R CA 2.227 58.054 56.100 -0.455 0.000 0.967 409 R CB -0.255 29.206 30.300 -1.398 0.000 0.861 409 R HN 0.607 nan 8.270 nan 0.000 0.442 410 E N -1.831 118.270 120.200 -0.166 0.000 2.435 410 E HA -0.095 4.244 4.350 -0.018 0.000 0.195 410 E C -0.229 176.445 176.600 0.123 0.000 1.029 410 E CA 0.206 56.573 56.400 -0.055 0.000 0.865 410 E CB 0.063 29.733 29.700 -0.049 0.000 0.833 410 E HN 0.397 nan 8.360 nan 0.000 0.510 411 Y N -0.015 120.308 120.300 0.039 0.000 2.573 411 Y HA 0.415 4.954 4.550 -0.018 0.000 0.328 411 Y C -1.967 174.086 175.900 0.255 0.000 1.170 411 Y CA -1.516 56.632 58.100 0.079 0.000 1.078 411 Y CB 1.311 39.811 38.460 0.067 0.000 1.341 411 Y HN 0.047 nan 8.280 nan 0.000 0.459 412 F N 2.952 122.312 119.950 -0.982 0.000 2.890 412 F HA 0.628 5.144 4.527 -0.017 0.000 0.326 412 F C -2.356 173.072 175.800 -0.621 0.000 1.143 412 F CA -0.510 57.036 58.000 -0.757 0.000 0.906 412 F CB 1.026 39.884 39.000 -0.236 0.000 1.303 412 F HN 0.651 nan 8.300 nan 0.000 0.447 413 E N 2.311 122.324 120.200 -0.312 0.000 2.412 413 E HA 0.670 5.009 4.350 -0.018 0.000 0.279 413 E C -1.967 174.689 176.600 0.093 0.000 0.984 413 E CA -1.117 55.132 56.400 -0.252 0.000 0.788 413 E CB 2.946 32.513 29.700 -0.221 0.000 1.277 413 E HN 0.747 nan 8.360 nan 0.000 0.455 414 I N 2.294 122.910 120.570 0.077 0.000 2.339 414 I HA 0.340 4.500 4.170 -0.018 0.000 0.290 414 I C -0.484 175.685 176.117 0.087 0.000 0.994 414 I CA -1.044 60.352 61.300 0.160 0.000 1.191 414 I CB 0.974 39.053 38.000 0.131 0.000 1.343 414 I HN 0.404 nan 8.210 nan 0.000 0.458 415 I N 5.241 125.885 120.570 0.124 0.000 2.493 415 I HA 0.563 4.722 4.170 -0.018 0.000 0.298 415 I C 0.321 176.481 176.117 0.073 0.000 0.998 415 I CA -0.178 61.157 61.300 0.059 0.000 1.137 415 I CB 1.673 39.697 38.000 0.040 0.000 1.310 415 I HN 0.712 nan 8.210 nan 0.000 0.445 416 S N 2.400 118.089 115.700 -0.017 0.000 2.672 416 S HA 0.877 5.336 4.470 -0.018 0.000 0.271 416 S C -0.103 174.375 174.600 -0.203 0.000 1.171 416 S CA -0.097 58.066 58.200 -0.062 0.000 0.817 416 S CB 1.428 64.651 63.200 0.037 0.000 1.150 416 S HN 1.527 nan 8.310 nan 0.000 0.478 417 G N 1.248 109.877 108.800 -0.285 0.000 2.601 417 G HA2 -0.228 3.722 3.960 -0.018 0.000 0.261 417 G HA3 -0.228 3.722 3.960 -0.018 0.000 0.261 417 G C 0.520 175.091 174.900 -0.548 0.000 1.289 417 G CA 0.560 45.496 45.100 -0.274 0.000 0.920 417 G HN 0.923 nan 8.290 nan 0.000 0.571 418 E N 0.324 120.464 120.200 -0.100 0.000 2.049 418 E HA -0.224 4.115 4.350 -0.018 0.000 0.198 418 E C 2.332 178.898 176.600 -0.056 0.000 1.007 418 E CA 1.589 58.045 56.400 0.094 0.000 0.809 418 E CB -0.385 29.398 29.700 0.138 0.000 0.749 418 E HN 0.655 nan 8.360 nan 0.000 0.450 419 K N 0.784 121.142 120.400 -0.070 0.000 2.304 419 K HA -0.212 4.098 4.320 -0.018 0.000 0.204 419 K C 2.134 178.677 176.600 -0.094 0.000 1.044 419 K CA 0.998 57.251 56.287 -0.056 0.000 0.932 419 K CB -0.075 32.397 32.500 -0.047 0.000 0.735 419 K HN 0.047 nan 8.250 nan 0.000 0.468 420 L N -0.107 120.968 121.223 -0.247 0.000 2.145 420 L HA 0.085 4.414 4.340 -0.018 0.000 0.201 420 L C 1.609 178.378 176.870 -0.167 0.000 1.075 420 L CA 1.232 55.919 54.840 -0.254 0.000 0.773 420 L CB -0.464 41.343 42.059 -0.419 0.000 0.936 420 L HN 0.144 nan 8.230 nan 0.000 0.451 421 F N 0.261 120.220 119.950 0.015 0.000 2.225 421 F HA -0.286 4.230 4.527 -0.018 0.000 0.302 421 F C 1.910 177.701 175.800 -0.015 0.000 1.068 421 F CA 1.225 59.223 58.000 -0.003 0.000 1.327 421 F CB -0.343 38.659 39.000 0.004 0.000 1.043 421 F HN 0.117 nan 8.300 nan 0.000 0.506 422 K N -0.579 119.892 120.400 0.118 0.000 2.361 422 K HA 0.029 4.338 4.320 -0.018 0.000 0.194 422 K C 0.526 177.144 176.600 0.031 0.000 1.032 422 K CA 0.096 56.426 56.287 0.072 0.000 1.048 422 K CB 0.113 32.649 32.500 0.060 0.000 0.842 422 K HN -0.025 nan 8.250 nan 0.000 0.526 423 E N 0.794 120.999 120.200 0.008 0.000 2.391 423 E HA 0.035 4.375 4.350 -0.018 0.000 0.255 423 E C -2.121 174.395 176.600 -0.140 0.000 1.187 423 E CA -1.978 54.403 56.400 -0.031 0.000 0.941 423 E CB -0.071 29.627 29.700 -0.004 0.000 1.010 423 E HN -0.148 nan 8.360 nan 0.000 0.458 424 P HA -0.016 nan 4.420 nan 0.000 0.261 424 P C 0.440 177.514 177.300 -0.377 0.000 1.650 424 P CA 0.389 63.340 63.100 -0.249 0.000 0.846 424 P CB -0.221 31.385 31.700 -0.156 0.000 1.758 425 V N -5.104 114.608 119.914 -0.336 0.000 3.330 425 V HA 0.053 4.163 4.120 -0.018 0.000 0.309 425 V C 1.971 177.996 176.094 -0.115 0.000 1.481 425 V CA 0.570 62.706 62.300 -0.273 0.000 1.068 425 V CB -0.700 30.924 31.823 -0.331 0.000 0.935 425 V HN 0.182 nan 8.190 nan 0.000 0.453 426 T N -0.086 114.428 114.554 -0.066 0.000 2.699 426 T HA -0.239 4.101 4.350 -0.018 0.000 0.268 426 T C 1.972 176.653 174.700 -0.031 0.000 1.036 426 T CA 2.609 64.701 62.100 -0.014 0.000 1.147 426 T CB -0.620 68.245 68.868 -0.006 0.000 0.862 426 T HN 0.977 nan 8.240 nan 0.000 0.446 427 A N 1.751 124.544 122.820 -0.045 0.000 1.877 427 A HA -0.059 4.251 4.320 -0.018 0.000 0.216 427 A C 2.308 179.861 177.584 -0.051 0.000 1.186 427 A CA 1.925 53.937 52.037 -0.042 0.000 0.620 427 A CB -0.849 18.129 19.000 -0.038 0.000 0.822 427 A HN 0.563 nan 8.150 nan 0.000 0.443 428 E N 0.227 120.387 120.200 -0.066 0.000 2.085 428 E HA -0.153 4.186 4.350 -0.018 0.000 0.194 428 E C 1.895 178.450 176.600 -0.076 0.000 0.994 428 E CA 1.143 57.493 56.400 -0.084 0.000 0.801 428 E CB -0.467 29.172 29.700 -0.102 0.000 0.743 428 E HN 0.641 nan 8.360 nan 0.000 0.453 429 L N -0.332 120.860 121.223 -0.053 0.000 2.083 429 L HA -0.210 4.119 4.340 -0.018 0.000 0.209 429 L C 2.309 179.165 176.870 -0.023 0.000 1.083 429 L CA 0.844 55.669 54.840 -0.026 0.000 0.752 429 L CB -0.341 41.733 42.059 0.025 0.000 0.899 429 L HN 0.260 nan 8.230 nan 0.000 0.433 430 C N -0.372 118.911 119.300 -0.028 0.000 2.422 430 C HA -0.138 4.311 4.460 -0.018 0.000 0.279 430 C C 2.771 177.739 174.990 -0.037 0.000 1.305 430 C CA 0.966 59.966 59.018 -0.031 0.000 1.757 430 C CB -0.527 27.193 27.740 -0.033 0.000 1.962 430 C HN 0.536 nan 8.230 nan 0.000 0.499 431 E N 0.721 120.892 120.200 -0.048 0.000 2.112 431 E HA -0.120 4.219 4.350 -0.018 0.000 0.190 431 E C 2.087 178.652 176.600 -0.058 0.000 0.979 431 E CA 1.003 57.369 56.400 -0.057 0.000 0.814 431 E CB -0.493 29.165 29.700 -0.071 0.000 0.762 431 E HN 0.574 nan 8.360 nan 0.000 0.460 432 M N -0.641 118.923 119.600 -0.062 0.000 2.279 432 M HA -0.044 4.425 4.480 -0.018 0.000 0.264 432 M C 1.058 177.343 176.300 -0.024 0.000 1.062 432 M CA 1.309 56.575 55.300 -0.056 0.000 1.099 432 M CB 0.130 32.690 32.600 -0.065 0.000 1.394 432 M HN 0.178 nan 8.290 nan 0.000 0.426 433 M N -1.297 118.292 119.600 -0.017 0.000 2.346 433 M HA 0.268 4.737 4.480 -0.018 0.000 0.280 433 M C 0.895 177.189 176.300 -0.010 0.000 1.075 433 M CA 0.253 55.551 55.300 -0.002 0.000 0.989 433 M CB 0.743 33.347 32.600 0.007 0.000 1.447 433 M HN 0.402 nan 8.290 nan 0.000 0.511 434 G N 1.861 110.647 108.800 -0.022 0.000 2.283 434 G HA2 -0.214 3.736 3.960 -0.018 0.000 0.280 434 G HA3 -0.214 3.736 3.960 -0.018 0.000 0.280 434 G C 0.027 174.914 174.900 -0.022 0.000 1.029 434 G CA -0.153 44.932 45.100 -0.025 0.000 0.840 434 G HN 0.356 nan 8.290 nan 0.000 0.505 435 V N 0.965 120.865 119.914 -0.023 0.000 2.509 435 V HA 0.289 4.399 4.120 -0.018 0.000 0.297 435 V C 1.036 177.115 176.094 -0.025 0.000 1.014 435 V CA 1.283 63.569 62.300 -0.024 0.000 1.127 435 V CB 0.535 32.340 31.823 -0.030 0.000 0.925 435 V HN 0.795 nan 8.190 nan 0.000 0.480 436 K N 3.769 124.156 120.400 -0.022 0.000 2.316 436 K HA 0.812 5.122 4.320 -0.018 0.000 0.234 436 K C -0.537 176.052 176.600 -0.019 0.000 1.054 436 K CA -0.647 55.627 56.287 -0.021 0.000 0.879 436 K CB 2.051 34.541 32.500 -0.018 0.000 1.252 436 K HN 0.572 nan 8.250 nan 0.000 0.471 437 D N 0.000 120.390 120.400 -0.016 0.000 6.856 437 D HA 0.000 4.629 4.640 -0.018 0.000 0.175 437 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 437 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683