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 3l3q_1_A DATA FIRST_RESID 71 DATA SEQUENCE QGTVNWSVED IVKGINSNNL ESQLQATQAA RKLLSREKQP PIDNIIRAGL DATA SEQUENCE IPKFVSFLGK TDCSPIQFES AWALTNIASG TSEQTKAVVD GGAIPAFISL DATA SEQUENCE LASPHAHISE QAVWALGNIA GDGSAFRDLV IKHGAIDPLL ALLAVPDLST DATA SEQUENCE LACGYLRNLT WTLSNLCRNK NPAPPLDAVE QILPTLVRLL HHNDPEVLAD DATA SEQUENCE SCWAISYLTD GPNERIEMVV KKGVVPQLVK LLGATELPIV TPALRAIGNI DATA SEQUENCE VTGTDEQTQK VIDAGALAVF PSLLTNPKTN IQKEATWTMS NITAGRQDQI DATA SEQUENCE QQVVNHGLVP FLVGVLSKAD FKTQKEAAWA ITNYTSGGTV EQIVYLVHCG DATA SEQUENCE IIEPLMNLLS AKDTKIIQVI LDAISNIFQA AEKLGETEKL SIMIEECGGL DATA SEQUENCE DKIEALQRHE NESVYKASLN LIEKYFS 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 71 Q HA 0.000 nan 4.340 nan 0.000 0.214 71 Q C 0.000 176.048 176.000 0.080 0.000 1.003 71 Q CA 0.000 55.833 55.803 0.050 0.000 1.022 71 Q CB 0.000 28.760 28.738 0.037 0.000 1.108 72 G N 0.523 109.384 108.800 0.102 0.000 2.641 72 G HA2 -0.086 3.877 3.960 0.005 0.000 0.211 72 G HA3 -0.086 3.877 3.960 0.005 0.000 0.211 72 G C 1.224 176.328 174.900 0.340 0.000 1.190 72 G CA 1.286 46.491 45.100 0.175 0.000 0.842 72 G HN 0.304 nan 8.290 nan 0.000 0.585 73 T N -0.323 114.350 114.554 0.199 0.000 3.219 73 T HA 0.335 4.688 4.350 0.005 0.000 0.249 73 T C 0.382 175.051 174.700 -0.052 0.000 1.099 73 T CA -0.301 61.822 62.100 0.038 0.000 0.988 73 T CB 0.181 68.882 68.868 -0.277 0.000 0.999 73 T HN -0.049 nan 8.240 nan 0.000 0.550 74 V N 3.468 123.449 119.914 0.112 0.000 2.427 74 V HA 0.247 4.370 4.120 0.005 0.000 0.268 74 V C 0.129 176.325 176.094 0.170 0.000 1.046 74 V CA -0.708 61.635 62.300 0.072 0.000 0.970 74 V CB -0.411 31.439 31.823 0.045 0.000 1.001 74 V HN 0.675 nan 8.190 nan 0.000 0.476 75 N N 3.397 122.165 118.700 0.114 0.000 2.753 75 N HA -0.152 4.591 4.740 0.005 0.000 0.252 75 N C -0.799 174.874 175.510 0.271 0.000 1.071 75 N CA 0.509 53.642 53.050 0.139 0.000 0.690 75 N CB -0.479 38.060 38.487 0.086 0.000 0.906 75 N HN 0.660 nan 8.380 nan 0.000 0.552 76 W N 1.058 122.344 121.300 -0.023 0.000 2.213 76 W HA 0.446 5.109 4.660 0.005 0.000 0.356 76 W C 1.354 177.866 176.519 -0.012 0.000 1.273 76 W CA -0.597 56.739 57.345 -0.015 0.000 1.391 76 W CB 0.108 29.562 29.460 -0.011 0.000 1.187 76 W HN 0.167 nan 8.180 nan 0.000 0.649 77 S N -0.746 115.094 115.700 0.234 0.000 2.693 77 S HA 0.333 4.805 4.470 0.005 0.000 0.276 77 S C 0.558 175.259 174.600 0.169 0.000 1.192 77 S CA -0.719 57.567 58.200 0.143 0.000 0.994 77 S CB 1.087 64.329 63.200 0.071 0.000 1.012 77 S HN 0.246 nan 8.310 nan 0.000 0.550 78 V N 1.909 121.887 119.914 0.107 0.000 2.407 78 V HA -0.197 3.926 4.120 0.005 0.000 0.248 78 V C 2.700 178.854 176.094 0.099 0.000 1.055 78 V CA 2.384 64.743 62.300 0.097 0.000 1.049 78 V CB -1.516 30.340 31.823 0.057 0.000 0.662 78 V HN 1.021 nan 8.190 nan 0.000 0.455 79 E N 0.026 120.270 120.200 0.074 0.000 2.110 79 E HA -0.241 4.112 4.350 0.005 0.000 0.193 79 E C 1.607 178.250 176.600 0.073 0.000 0.988 79 E CA 1.602 58.034 56.400 0.053 0.000 0.804 79 E CB -0.373 29.341 29.700 0.024 0.000 0.745 79 E HN 0.500 nan 8.360 nan 0.000 0.458 80 D N 1.074 121.532 120.400 0.097 0.000 2.097 80 D HA -0.080 4.563 4.640 0.005 0.000 0.197 80 D C 2.048 178.547 176.300 0.332 0.000 0.984 80 D CA 0.838 54.898 54.000 0.100 0.000 0.826 80 D CB -0.223 40.543 40.800 -0.056 0.000 0.973 80 D HN 0.221 nan 8.370 nan 0.000 0.460 81 I N 0.490 121.330 120.570 0.450 0.000 2.151 81 I HA -0.285 3.888 4.170 0.005 0.000 0.243 81 I C 2.429 178.677 176.117 0.219 0.000 1.080 81 I CA 0.823 62.340 61.300 0.361 0.000 1.339 81 I CB -0.220 37.901 38.000 0.200 0.000 1.039 81 I HN -0.096 nan 8.210 nan 0.000 0.409 82 V N 0.416 120.411 119.914 0.135 0.000 2.343 82 V HA -0.286 3.837 4.120 0.005 0.000 0.247 82 V C 2.560 178.701 176.094 0.078 0.000 1.051 82 V CA 1.655 63.997 62.300 0.069 0.000 1.036 82 V CB -0.703 31.136 31.823 0.028 0.000 0.654 82 V HN 0.353 nan 8.190 nan 0.000 0.451 83 K N 0.391 120.845 120.400 0.089 0.000 2.032 83 K HA -0.156 4.166 4.320 0.005 0.000 0.209 83 K C 2.217 178.880 176.600 0.104 0.000 1.048 83 K CA 1.744 58.073 56.287 0.070 0.000 0.927 83 K CB -0.942 31.580 32.500 0.036 0.000 0.712 83 K HN 0.545 nan 8.250 nan 0.000 0.441 84 G N 1.029 109.941 108.800 0.186 0.000 2.433 84 G HA2 -0.221 3.742 3.960 0.005 0.000 0.216 84 G HA3 -0.221 3.742 3.960 0.005 0.000 0.216 84 G C 1.689 176.694 174.900 0.175 0.000 1.186 84 G CA 0.651 45.887 45.100 0.226 0.000 0.779 84 G HN 0.240 nan 8.290 nan 0.000 0.543 85 I N 0.857 121.533 120.570 0.177 0.000 2.361 85 I HA -0.130 4.043 4.170 0.005 0.000 0.251 85 I C 2.205 178.409 176.117 0.144 0.000 1.133 85 I CA 0.941 62.357 61.300 0.193 0.000 1.413 85 I CB -0.121 37.974 38.000 0.158 0.000 1.073 85 I HN 0.177 nan 8.210 nan 0.000 0.424 86 N N -0.189 118.564 118.700 0.089 0.000 2.467 86 N HA -0.029 4.713 4.740 0.005 0.000 0.184 86 N C 0.640 176.185 175.510 0.059 0.000 1.106 86 N CA 0.139 53.223 53.050 0.057 0.000 0.892 86 N CB 0.142 38.647 38.487 0.029 0.000 0.969 86 N HN 0.282 nan 8.380 nan 0.000 0.454 87 S N 0.077 115.820 115.700 0.071 0.000 2.584 87 S HA -0.030 4.443 4.470 0.005 0.000 0.270 87 S C 0.389 175.022 174.600 0.055 0.000 1.346 87 S CA -0.602 57.632 58.200 0.056 0.000 1.018 87 S CB 0.889 64.123 63.200 0.058 0.000 0.899 87 S HN 0.252 nan 8.310 nan 0.000 0.542 88 N N 1.665 120.389 118.700 0.040 0.000 2.758 88 N HA 0.025 4.768 4.740 0.005 0.000 0.293 88 N C -0.770 174.757 175.510 0.029 0.000 1.273 88 N CA -0.145 52.927 53.050 0.037 0.000 1.022 88 N CB -0.414 38.090 38.487 0.028 0.000 1.334 88 N HN 0.616 nan 8.380 nan 0.000 0.519 89 N N 1.799 120.516 118.700 0.029 0.000 2.519 89 N HA 0.046 4.789 4.740 0.005 0.000 0.286 89 N C 0.501 176.012 175.510 0.001 0.000 1.079 89 N CA -0.474 52.586 53.050 0.017 0.000 0.878 89 N CB 1.490 39.990 38.487 0.023 0.000 1.375 89 N HN 0.147 nan 8.380 nan 0.000 0.514 90 L N 3.740 124.951 121.223 -0.020 0.000 2.083 90 L HA 0.023 4.366 4.340 0.005 0.000 0.209 90 L C 1.757 178.577 176.870 -0.082 0.000 1.083 90 L CA 1.904 56.703 54.840 -0.068 0.000 0.752 90 L CB -0.131 41.890 42.059 -0.063 0.000 0.899 90 L HN 0.531 nan 8.230 nan 0.000 0.433 91 E N -0.424 119.753 120.200 -0.039 0.000 2.077 91 E HA -0.153 4.200 4.350 0.005 0.000 0.193 91 E C 2.252 178.852 176.600 -0.000 0.000 0.989 91 E CA 1.430 57.816 56.400 -0.024 0.000 0.800 91 E CB -0.465 29.232 29.700 -0.004 0.000 0.746 91 E HN 0.525 nan 8.360 nan 0.000 0.452 92 S N 1.435 117.150 115.700 0.024 0.000 2.382 92 S HA -0.168 4.305 4.470 0.005 0.000 0.228 92 S C 1.984 176.624 174.600 0.066 0.000 1.027 92 S CA 1.043 59.286 58.200 0.073 0.000 0.991 92 S CB -0.153 63.094 63.200 0.078 0.000 0.823 92 S HN 0.323 nan 8.310 nan 0.000 0.469 93 Q N 0.314 120.116 119.800 0.003 0.000 2.050 93 Q HA -0.076 4.267 4.340 0.005 0.000 0.202 93 Q C 2.273 178.202 176.000 -0.119 0.000 0.980 93 Q CA 1.065 56.846 55.803 -0.036 0.000 0.840 93 Q CB -0.400 28.245 28.738 -0.154 0.000 0.898 93 Q HN 0.354 nan 8.270 nan 0.000 0.424 94 L N 1.167 122.290 121.223 -0.168 0.000 2.013 94 L HA -0.257 4.086 4.340 0.005 0.000 0.212 94 L C 2.137 178.940 176.870 -0.111 0.000 1.073 94 L CA 1.904 56.654 54.840 -0.150 0.000 0.753 94 L CB -0.545 41.443 42.059 -0.118 0.000 0.890 94 L HN 0.186 nan 8.230 nan 0.000 0.432 95 Q N -0.528 119.234 119.800 -0.063 0.000 2.123 95 Q HA -0.022 4.320 4.340 0.005 0.000 0.199 95 Q C 2.293 178.088 176.000 -0.342 0.000 0.966 95 Q CA 1.522 57.266 55.803 -0.099 0.000 0.845 95 Q CB -0.602 28.180 28.738 0.075 0.000 0.907 95 Q HN 0.675 nan 8.270 nan 0.000 0.439 96 A N 0.573 123.257 122.820 -0.226 0.000 1.969 96 A HA -0.107 4.216 4.320 0.005 0.000 0.218 96 A C 2.291 179.721 177.584 -0.256 0.000 1.169 96 A CA 1.695 53.502 52.037 -0.384 0.000 0.635 96 A CB -0.600 18.463 19.000 0.104 0.000 0.810 96 A HN 0.346 nan 8.150 nan 0.000 0.445 97 T N -0.396 114.104 114.554 -0.089 0.000 2.737 97 T HA -0.194 4.158 4.350 0.005 0.000 0.265 97 T C 2.080 176.622 174.700 -0.262 0.000 1.038 97 T CA 1.587 63.663 62.100 -0.040 0.000 1.144 97 T CB -0.273 68.620 68.868 0.042 0.000 0.866 97 T HN 0.667 nan 8.240 nan 0.000 0.434 98 Q N 0.786 120.411 119.800 -0.292 0.000 2.096 98 Q HA -0.136 4.207 4.340 0.005 0.000 0.204 98 Q C 2.477 178.204 176.000 -0.455 0.000 0.982 98 Q CA 1.544 57.137 55.803 -0.351 0.000 0.850 98 Q CB -0.345 28.241 28.738 -0.255 0.000 0.901 98 Q HN 0.534 nan 8.270 nan 0.000 0.422 99 A N 0.936 123.391 122.820 -0.608 0.000 1.892 99 A HA -0.206 4.117 4.320 0.005 0.000 0.218 99 A C 2.329 179.628 177.584 -0.475 0.000 1.188 99 A CA 2.011 53.585 52.037 -0.771 0.000 0.631 99 A CB -1.203 16.752 19.000 -1.742 0.000 0.822 99 A HN 0.600 nan 8.150 nan 0.000 0.447 100 A N -0.270 122.341 122.820 -0.349 0.000 1.883 100 A HA -0.214 4.109 4.320 0.005 0.000 0.217 100 A C 2.302 179.698 177.584 -0.314 0.000 1.186 100 A CA 1.911 53.831 52.037 -0.196 0.000 0.624 100 A CB -0.602 18.399 19.000 0.001 0.000 0.822 100 A HN 0.566 nan 8.150 nan 0.000 0.444 101 R N 0.282 120.505 120.500 -0.461 0.000 2.091 101 R HA -0.180 4.163 4.340 0.005 0.000 0.238 101 R C 1.865 177.781 176.300 -0.640 0.000 1.136 101 R CA 2.045 57.751 56.100 -0.657 0.000 0.959 101 R CB -0.352 29.442 30.300 -0.844 0.000 0.856 101 R HN 0.576 nan 8.270 nan 0.000 0.437 102 K N 0.407 120.500 120.400 -0.512 0.000 2.148 102 K HA -0.050 4.273 4.320 0.005 0.000 0.204 102 K C 2.238 178.686 176.600 -0.254 0.000 1.050 102 K CA 1.117 57.172 56.287 -0.387 0.000 0.942 102 K CB -0.108 32.208 32.500 -0.306 0.000 0.724 102 K HN 0.215 nan 8.250 nan 0.000 0.446 103 L N 0.746 121.839 121.223 -0.216 0.000 2.131 103 L HA -0.162 4.181 4.340 0.005 0.000 0.210 103 L C 2.101 178.898 176.870 -0.123 0.000 1.092 103 L CA 1.073 55.836 54.840 -0.128 0.000 0.759 103 L CB -0.256 41.753 42.059 -0.083 0.000 0.903 103 L HN 0.180 nan 8.230 nan 0.000 0.435 104 L N -1.165 119.952 121.223 -0.177 0.000 2.446 104 L HA -0.029 4.314 4.340 0.005 0.000 0.219 104 L C 2.334 179.128 176.870 -0.127 0.000 1.116 104 L CA 0.741 55.497 54.840 -0.139 0.000 0.844 104 L CB -0.060 41.900 42.059 -0.165 0.000 0.970 104 L HN 0.285 nan 8.230 nan 0.000 0.457 105 S N -1.637 113.953 115.700 -0.184 0.000 2.505 105 S HA 0.138 4.610 4.470 0.005 0.000 0.216 105 S C 1.782 176.359 174.600 -0.038 0.000 1.018 105 S CA -0.473 57.678 58.200 -0.081 0.000 0.911 105 S CB 0.295 63.415 63.200 -0.133 0.000 0.818 105 S HN 0.305 nan 8.310 nan 0.000 0.497 106 R N 0.633 121.088 120.500 -0.075 0.000 2.342 106 R HA 0.344 4.687 4.340 0.005 0.000 0.204 106 R C -0.142 176.142 176.300 -0.027 0.000 0.882 106 R CA 0.051 56.125 56.100 -0.043 0.000 1.041 106 R CB 0.389 30.652 30.300 -0.061 0.000 1.188 106 R HN 0.400 nan 8.270 nan 0.000 0.598 107 E N 2.074 122.254 120.200 -0.034 0.000 2.289 107 E HA 0.108 4.460 4.350 0.005 0.000 0.278 107 E C -0.678 175.917 176.600 -0.008 0.000 1.032 107 E CA -0.018 56.372 56.400 -0.017 0.000 0.854 107 E CB 1.088 30.778 29.700 -0.017 0.000 1.046 107 E HN -0.062 nan 8.360 nan 0.000 0.409 108 K N 2.801 123.201 120.400 -0.000 0.000 2.339 108 K HA 0.045 4.368 4.320 0.005 0.000 0.286 108 K C -0.203 176.399 176.600 0.004 0.000 1.050 108 K CA 0.160 56.449 56.287 0.004 0.000 0.956 108 K CB 0.638 33.142 32.500 0.007 0.000 0.990 108 K HN 0.531 nan 8.250 nan 0.000 0.475 109 Q N 0.310 120.112 119.800 0.005 0.000 2.451 109 Q HA -0.106 4.237 4.340 0.005 0.000 0.292 109 Q C -2.358 173.643 176.000 0.002 0.000 1.390 109 Q CA -0.262 55.544 55.803 0.005 0.000 0.753 109 Q CB -1.191 27.551 28.738 0.006 0.000 1.128 109 Q HN 0.496 nan 8.270 nan 0.000 0.402 110 P HA 0.088 nan 4.420 nan 0.000 0.269 110 P C -2.255 175.046 177.300 0.002 0.000 1.209 110 P CA -0.915 62.181 63.100 -0.007 0.000 0.776 110 P CB 0.116 31.806 31.700 -0.017 0.000 0.876 111 P HA 0.225 nan 4.420 nan 0.000 0.218 111 P C 1.036 178.347 177.300 0.017 0.000 1.793 111 P CA -0.173 62.934 63.100 0.012 0.000 0.941 111 P CB -0.508 31.200 31.700 0.015 0.000 1.919 112 I N 0.025 120.605 120.570 0.018 0.000 2.194 112 I HA -0.264 3.909 4.170 0.005 0.000 0.246 112 I C 1.824 177.958 176.117 0.028 0.000 1.093 112 I CA 1.519 62.835 61.300 0.027 0.000 1.355 112 I CB -0.346 37.670 38.000 0.027 0.000 1.046 112 I HN 0.082 nan 8.210 nan 0.000 0.413 113 D N 0.533 120.946 120.400 0.022 0.000 2.144 113 D HA -0.123 4.520 4.640 0.005 0.000 0.200 113 D C 1.919 178.227 176.300 0.013 0.000 0.978 113 D CA 0.952 54.963 54.000 0.018 0.000 0.833 113 D CB -0.398 40.411 40.800 0.015 0.000 0.961 113 D HN 0.367 nan 8.370 nan 0.000 0.470 114 N N 1.019 119.728 118.700 0.015 0.000 2.120 114 N HA -0.094 4.649 4.740 0.005 0.000 0.188 114 N C 2.066 177.582 175.510 0.010 0.000 1.024 114 N CA 0.481 53.539 53.050 0.012 0.000 0.852 114 N CB -0.051 38.446 38.487 0.016 0.000 1.003 114 N HN 0.253 nan 8.380 nan 0.000 0.424 115 I N 1.600 122.183 120.570 0.021 0.000 2.127 115 I HA -0.230 3.943 4.170 0.005 0.000 0.241 115 I C 2.295 178.408 176.117 -0.007 0.000 1.075 115 I CA 1.105 62.419 61.300 0.025 0.000 1.334 115 I CB -0.746 37.300 38.000 0.077 0.000 1.040 115 I HN 0.051 nan 8.210 nan 0.000 0.405 116 I N 0.591 121.165 120.570 0.006 0.000 2.142 116 I HA -0.285 3.888 4.170 0.005 0.000 0.240 116 I C 2.808 178.909 176.117 -0.026 0.000 1.078 116 I CA 1.402 62.696 61.300 -0.010 0.000 1.343 116 I CB -0.459 37.546 38.000 0.009 0.000 1.046 116 I HN 0.165 nan 8.210 nan 0.000 0.405 117 R N 0.790 121.281 120.500 -0.015 0.000 2.127 117 R HA -0.115 4.228 4.340 0.005 0.000 0.238 117 R C 2.229 178.512 176.300 -0.029 0.000 1.134 117 R CA 1.312 57.402 56.100 -0.017 0.000 0.975 117 R CB -0.420 29.876 30.300 -0.008 0.000 0.865 117 R HN 0.368 nan 8.270 nan 0.000 0.447 118 A N 0.181 122.981 122.820 -0.034 0.000 2.248 118 A HA 0.086 4.408 4.320 0.005 0.000 0.210 118 A C 1.456 178.993 177.584 -0.078 0.000 1.174 118 A CA 0.979 52.989 52.037 -0.046 0.000 0.750 118 A CB -0.435 18.541 19.000 -0.039 0.000 0.780 118 A HN 0.486 nan 8.150 nan 0.000 0.478 119 G N -1.533 107.213 108.800 -0.091 0.000 2.136 119 G HA2 -0.260 3.703 3.960 0.005 0.000 0.242 119 G HA3 -0.260 3.703 3.960 0.005 0.000 0.242 119 G C 0.661 175.437 174.900 -0.207 0.000 0.989 119 G CA 0.472 45.499 45.100 -0.122 0.000 0.682 119 G HN 0.473 nan 8.290 nan 0.000 0.522 120 L N -0.331 120.727 121.223 -0.274 0.000 2.270 120 L HA 0.230 4.573 4.340 0.005 0.000 0.210 120 L C 2.893 179.337 176.870 -0.710 0.000 1.104 120 L CA 0.578 55.086 54.840 -0.553 0.000 0.804 120 L CB -0.342 41.308 42.059 -0.683 0.000 0.937 120 L HN 0.360 nan 8.230 nan 0.000 0.450 121 I N 0.794 121.146 120.570 -0.364 0.000 2.151 121 I HA -0.236 3.937 4.170 0.005 0.000 0.243 121 I C -0.322 175.663 176.117 -0.219 0.000 1.080 121 I CA 1.679 62.863 61.300 -0.193 0.000 1.339 121 I CB -1.446 36.525 38.000 -0.049 0.000 1.039 121 I HN 0.244 nan 8.210 nan 0.000 0.409 122 P HA -0.133 nan 4.420 nan 0.000 0.221 122 P C 1.207 178.315 177.300 -0.321 0.000 1.150 122 P CA 1.225 64.197 63.100 -0.214 0.000 0.800 122 P CB -0.119 31.482 31.700 -0.165 0.000 0.787 123 K N -0.780 119.339 120.400 -0.467 0.000 2.026 123 K HA -0.084 4.238 4.320 0.005 0.000 0.208 123 K C 1.959 177.982 176.600 -0.961 0.000 1.048 123 K CA 1.275 57.128 56.287 -0.723 0.000 0.929 123 K CB -1.114 30.957 32.500 -0.714 0.000 0.713 123 K HN 0.166 nan 8.250 nan 0.000 0.439 124 F N 1.417 121.031 119.950 -0.560 0.000 2.161 124 F HA -0.142 4.387 4.527 0.005 0.000 0.300 124 F C 2.496 178.122 175.800 -0.289 0.000 1.089 124 F CA 0.411 58.191 58.000 -0.366 0.000 1.282 124 F CB -1.325 37.587 39.000 -0.147 0.000 1.010 124 F HN -0.258 nan 8.300 nan 0.000 0.485 125 V N -0.008 119.836 119.914 -0.117 0.000 2.427 125 V HA -0.238 3.885 4.120 0.005 0.000 0.248 125 V C 2.459 178.464 176.094 -0.148 0.000 1.051 125 V CA 1.886 64.087 62.300 -0.165 0.000 1.048 125 V CB -1.063 30.658 31.823 -0.169 0.000 0.666 125 V HN 0.502 nan 8.190 nan 0.000 0.456 126 S N -0.057 115.531 115.700 -0.187 0.000 2.402 126 S HA -0.135 4.338 4.470 0.005 0.000 0.229 126 S C 1.871 176.518 174.600 0.079 0.000 1.021 126 S CA 1.086 59.229 58.200 -0.096 0.000 0.974 126 S CB -0.612 62.514 63.200 -0.124 0.000 0.800 126 S HN 0.418 nan 8.310 nan 0.000 0.484 127 F N 2.182 122.137 119.950 0.007 0.000 2.333 127 F HA 0.208 4.737 4.527 0.005 0.000 0.300 127 F C 2.009 177.803 175.800 -0.010 0.000 1.083 127 F CA -0.455 57.556 58.000 0.018 0.000 1.395 127 F CB -1.062 37.976 39.000 0.064 0.000 1.056 127 F HN 0.214 nan 8.300 nan 0.000 0.529 128 L N -0.768 120.525 121.223 0.116 0.000 2.191 128 L HA -0.114 4.229 4.340 0.005 0.000 0.212 128 L C 2.451 179.335 176.870 0.025 0.000 1.103 128 L CA 1.351 56.195 54.840 0.007 0.000 0.769 128 L CB -1.132 40.820 42.059 -0.179 0.000 0.908 128 L HN 0.218 nan 8.230 nan 0.000 0.438 129 G N -0.549 108.274 108.800 0.038 0.000 2.985 129 G HA2 -0.057 3.906 3.960 0.005 0.000 0.209 129 G HA3 -0.057 3.906 3.960 0.005 0.000 0.209 129 G C 0.735 175.671 174.900 0.060 0.000 1.165 129 G CA -0.298 44.825 45.100 0.039 0.000 0.776 129 G HN 0.195 nan 8.290 nan 0.000 0.541 130 K N 1.571 122.020 120.400 0.081 0.000 2.121 130 K HA 0.157 4.480 4.320 0.005 0.000 0.235 130 K C 1.124 177.752 176.600 0.047 0.000 1.200 130 K CA -0.199 56.126 56.287 0.062 0.000 1.115 130 K CB 0.266 32.797 32.500 0.051 0.000 1.474 130 K HN 0.005 nan 8.250 nan 0.000 0.295 131 T N 1.149 115.733 114.554 0.051 0.000 2.881 131 T HA -0.163 4.190 4.350 0.005 0.000 0.270 131 T C 1.342 176.077 174.700 0.058 0.000 1.068 131 T CA 1.582 63.718 62.100 0.060 0.000 1.131 131 T CB -0.135 68.769 68.868 0.060 0.000 0.871 131 T HN 0.629 nan 8.240 nan 0.000 0.479 132 D N 0.092 120.517 120.400 0.042 0.000 2.265 132 D HA -0.087 4.556 4.640 0.005 0.000 0.208 132 D C 0.996 177.308 176.300 0.021 0.000 0.977 132 D CA 0.541 54.560 54.000 0.032 0.000 0.871 132 D CB -0.313 40.501 40.800 0.023 0.000 0.925 132 D HN 0.402 nan 8.370 nan 0.000 0.485 133 C N 2.042 121.347 119.300 0.008 0.000 3.164 133 C HA 0.356 4.819 4.460 0.005 0.000 0.250 133 C C 1.845 176.820 174.990 -0.026 0.000 1.151 133 C CA -0.099 58.909 59.018 -0.018 0.000 1.449 133 C CB -0.635 27.078 27.740 -0.045 0.000 1.825 133 C HN 0.318 nan 8.230 nan 0.000 0.478 134 S N 3.402 119.075 115.700 -0.046 0.000 2.399 134 S HA -0.026 4.447 4.470 0.005 0.000 0.231 134 S C -0.770 173.782 174.600 -0.080 0.000 1.022 134 S CA 1.514 59.640 58.200 -0.125 0.000 0.983 134 S CB -0.973 61.993 63.200 -0.390 0.000 0.803 134 S HN 0.638 nan 8.310 nan 0.000 0.480 135 P HA 0.043 nan 4.420 nan 0.000 0.218 135 P C 1.538 178.880 177.300 0.069 0.000 1.149 135 P CA 0.760 63.891 63.100 0.052 0.000 0.817 135 P CB -0.076 31.637 31.700 0.022 0.000 0.785 136 I N -1.139 119.424 120.570 -0.012 0.000 2.584 136 I HA -0.185 3.988 4.170 0.005 0.000 0.255 136 I C 2.161 178.296 176.117 0.031 0.000 1.145 136 I CA 0.923 62.190 61.300 -0.056 0.000 1.462 136 I CB -0.135 37.725 38.000 -0.232 0.000 1.102 136 I HN -0.097 nan 8.210 nan 0.000 0.433 137 Q N 0.020 119.853 119.800 0.056 0.000 2.062 137 Q HA -0.303 4.039 4.340 0.005 0.000 0.209 137 Q C 2.153 178.234 176.000 0.136 0.000 0.996 137 Q CA 2.455 58.314 55.803 0.092 0.000 0.859 137 Q CB -0.397 28.381 28.738 0.067 0.000 0.920 137 Q HN 0.512 nan 8.270 nan 0.000 0.415 138 F N 1.675 121.616 119.950 -0.015 0.000 2.113 138 F HA -0.151 4.379 4.527 0.005 0.000 0.297 138 F C 2.127 177.989 175.800 0.104 0.000 1.103 138 F CA 1.325 59.340 58.000 0.025 0.000 1.248 138 F CB -0.083 38.932 39.000 0.025 0.000 0.999 138 F HN -0.013 nan 8.300 nan 0.000 0.475 139 E N 0.333 120.510 120.200 -0.038 0.000 2.051 139 E HA -0.190 4.163 4.350 0.005 0.000 0.192 139 E C 2.423 178.861 176.600 -0.270 0.000 0.991 139 E CA 1.712 57.984 56.400 -0.214 0.000 0.799 139 E CB -0.879 28.734 29.700 -0.146 0.000 0.748 139 E HN 0.536 nan 8.360 nan 0.000 0.449 140 S N 1.208 116.818 115.700 -0.150 0.000 2.383 140 S HA -0.010 4.463 4.470 0.005 0.000 0.227 140 S C 2.282 176.807 174.600 -0.124 0.000 1.026 140 S CA 0.977 59.047 58.200 -0.217 0.000 0.981 140 S CB -0.240 63.016 63.200 0.093 0.000 0.818 140 S HN 0.279 nan 8.310 nan 0.000 0.472 141 A N 1.281 124.109 122.820 0.012 0.000 1.933 141 A HA -0.068 4.255 4.320 0.005 0.000 0.218 141 A C 1.898 179.523 177.584 0.067 0.000 1.175 141 A CA 1.389 53.550 52.037 0.206 0.000 0.628 141 A CB -1.177 17.981 19.000 0.263 0.000 0.814 141 A HN 0.759 nan 8.150 nan 0.000 0.444 142 W N 0.746 121.816 121.300 -0.383 0.000 2.409 142 W HA -0.020 4.643 4.660 0.005 0.000 0.299 142 W C 2.443 178.715 176.519 -0.412 0.000 1.203 142 W CA 1.370 58.412 57.345 -0.506 0.000 1.298 142 W CB -0.783 28.239 29.460 -0.731 0.000 1.127 142 W HN 0.386 nan 8.180 nan 0.000 0.528 143 A N 0.665 123.341 122.820 -0.239 0.000 1.877 143 A HA -0.192 4.131 4.320 0.005 0.000 0.216 143 A C 2.302 179.786 177.584 -0.166 0.000 1.186 143 A CA 1.983 53.803 52.037 -0.362 0.000 0.620 143 A CB -1.144 17.373 19.000 -0.804 0.000 0.822 143 A HN 0.306 nan 8.150 nan 0.000 0.443 144 L N -0.748 120.428 121.223 -0.078 0.000 2.083 144 L HA -0.159 4.184 4.340 0.005 0.000 0.209 144 L C 2.774 179.695 176.870 0.086 0.000 1.083 144 L CA 1.651 56.558 54.840 0.111 0.000 0.752 144 L CB -0.880 41.367 42.059 0.312 0.000 0.899 144 L HN 0.357 nan 8.230 nan 0.000 0.433 145 T N -0.334 114.217 114.554 -0.006 0.000 2.699 145 T HA -0.182 4.170 4.350 0.005 0.000 0.268 145 T C 1.640 176.286 174.700 -0.091 0.000 1.036 145 T CA 1.778 63.795 62.100 -0.139 0.000 1.147 145 T CB -0.230 68.419 68.868 -0.364 0.000 0.862 145 T HN 0.300 nan 8.240 nan 0.000 0.446 146 N N 0.530 119.192 118.700 -0.064 0.000 2.250 146 N HA 0.170 4.913 4.740 0.005 0.000 0.181 146 N C 1.791 177.301 175.510 0.001 0.000 1.017 146 N CA 0.492 53.520 53.050 -0.036 0.000 0.866 146 N CB -0.333 38.136 38.487 -0.029 0.000 0.985 146 N HN 0.360 nan 8.380 nan 0.000 0.429 147 I N 0.680 121.259 120.570 0.014 0.000 2.226 147 I HA -0.229 3.944 4.170 0.005 0.000 0.245 147 I C 2.014 178.163 176.117 0.054 0.000 1.100 147 I CA 1.144 62.470 61.300 0.043 0.000 1.374 147 I CB -0.273 37.770 38.000 0.071 0.000 1.057 147 I HN 0.076 nan 8.210 nan 0.000 0.413 148 A N 0.233 123.086 122.820 0.055 0.000 2.172 148 A HA -0.136 4.187 4.320 0.005 0.000 0.216 148 A C 2.305 179.940 177.584 0.084 0.000 1.154 148 A CA 1.506 53.582 52.037 0.066 0.000 0.701 148 A CB -0.632 18.398 19.000 0.050 0.000 0.789 148 A HN 0.521 nan 8.150 nan 0.000 0.465 149 S N -0.872 114.874 115.700 0.075 0.000 2.603 149 S HA 0.314 4.787 4.470 0.005 0.000 0.220 149 S C 1.173 175.820 174.600 0.078 0.000 0.967 149 S CA 0.439 58.697 58.200 0.097 0.000 0.920 149 S CB -0.390 62.860 63.200 0.084 0.000 0.773 149 S HN 0.568 nan 8.310 nan 0.000 0.529 150 G N 1.685 110.525 108.800 0.067 0.000 2.783 150 G HA2 0.440 4.403 3.960 0.005 0.000 0.182 150 G HA3 0.440 4.403 3.960 0.005 0.000 0.182 150 G C 0.211 175.147 174.900 0.059 0.000 1.516 150 G CA 0.069 45.202 45.100 0.055 0.000 1.079 150 G HN 0.543 nan 8.290 nan 0.000 0.573 151 T N -2.246 112.338 114.554 0.051 0.000 2.788 151 T HA 0.275 4.628 4.350 0.005 0.000 0.287 151 T C 1.499 176.238 174.700 0.065 0.000 1.007 151 T CA 0.460 62.588 62.100 0.046 0.000 1.005 151 T CB 1.175 70.064 68.868 0.035 0.000 1.012 151 T HN 0.193 nan 8.240 nan 0.000 0.530 152 S N 0.362 116.095 115.700 0.056 0.000 2.383 152 S HA -0.115 4.358 4.470 0.005 0.000 0.229 152 S C 1.959 176.623 174.600 0.106 0.000 1.030 152 S CA 1.308 59.554 58.200 0.077 0.000 1.002 152 S CB -0.540 62.664 63.200 0.008 0.000 0.829 152 S HN 0.809 nan 8.310 nan 0.000 0.467 153 E N 1.460 121.702 120.200 0.070 0.000 2.110 153 E HA -0.113 4.240 4.350 0.005 0.000 0.193 153 E C 2.207 178.858 176.600 0.086 0.000 0.988 153 E CA 1.116 57.560 56.400 0.073 0.000 0.804 153 E CB -0.243 29.484 29.700 0.045 0.000 0.745 153 E HN 0.564 nan 8.360 nan 0.000 0.458 154 Q N -0.788 119.059 119.800 0.078 0.000 2.046 154 Q HA -0.099 4.244 4.340 0.005 0.000 0.200 154 Q C 2.150 178.203 176.000 0.088 0.000 0.975 154 Q CA 1.905 57.751 55.803 0.072 0.000 0.836 154 Q CB -0.153 28.621 28.738 0.060 0.000 0.896 154 Q HN 0.251 nan 8.270 nan 0.000 0.428 155 T N 1.255 115.883 114.554 0.122 0.000 2.720 155 T HA -0.212 4.141 4.350 0.005 0.000 0.268 155 T C 1.673 176.445 174.700 0.120 0.000 1.037 155 T CA 1.533 63.716 62.100 0.138 0.000 1.144 155 T CB -0.178 68.835 68.868 0.241 0.000 0.864 155 T HN 0.251 nan 8.240 nan 0.000 0.444 156 K N 1.155 121.710 120.400 0.259 0.000 2.057 156 K HA -0.043 4.279 4.320 0.005 0.000 0.207 156 K C 2.528 179.175 176.600 0.078 0.000 1.049 156 K CA 1.218 57.658 56.287 0.255 0.000 0.931 156 K CB -0.345 32.343 32.500 0.315 0.000 0.714 156 K HN 0.296 nan 8.250 nan 0.000 0.440 157 A N 0.643 123.503 122.820 0.066 0.000 1.940 157 A HA -0.112 4.211 4.320 0.005 0.000 0.219 157 A C 2.198 179.784 177.584 0.002 0.000 1.176 157 A CA 1.652 53.706 52.037 0.029 0.000 0.631 157 A CB -0.539 18.480 19.000 0.032 0.000 0.814 157 A HN 0.187 nan 8.150 nan 0.000 0.446 158 V N -0.580 119.337 119.914 0.004 0.000 2.358 158 V HA -0.201 3.922 4.120 0.005 0.000 0.246 158 V C 2.561 178.616 176.094 -0.065 0.000 1.047 158 V CA 1.863 64.163 62.300 0.001 0.000 1.035 158 V CB -0.723 31.128 31.823 0.047 0.000 0.658 158 V HN 0.370 nan 8.190 nan 0.000 0.452 159 V N 0.393 120.206 119.914 -0.169 0.000 2.295 159 V HA -0.255 3.868 4.120 0.005 0.000 0.246 159 V C 2.274 178.285 176.094 -0.138 0.000 1.049 159 V CA 2.228 64.367 62.300 -0.268 0.000 1.024 159 V CB -0.771 30.633 31.823 -0.698 0.000 0.648 159 V HN 0.541 nan 8.190 nan 0.000 0.447 160 D N 0.914 121.271 120.400 -0.072 0.000 2.221 160 D HA -0.121 4.522 4.640 0.005 0.000 0.204 160 D C 2.054 178.331 176.300 -0.038 0.000 0.982 160 D CA 1.488 55.473 54.000 -0.025 0.000 0.857 160 D CB -0.547 40.256 40.800 0.005 0.000 0.934 160 D HN 0.512 nan 8.370 nan 0.000 0.475 161 G N -0.646 108.122 108.800 -0.052 0.000 2.776 161 G HA2 0.186 4.149 3.960 0.005 0.000 0.209 161 G HA3 0.186 4.149 3.960 0.005 0.000 0.209 161 G C 1.212 176.064 174.900 -0.079 0.000 1.145 161 G CA 0.520 45.581 45.100 -0.065 0.000 0.791 161 G HN 0.464 nan 8.290 nan 0.000 0.530 162 G N -1.214 107.540 108.800 -0.076 0.000 2.136 162 G HA2 -0.020 3.943 3.960 0.005 0.000 0.242 162 G HA3 -0.020 3.943 3.960 0.005 0.000 0.242 162 G C 1.192 176.019 174.900 -0.122 0.000 0.989 162 G CA 0.847 45.898 45.100 -0.081 0.000 0.682 162 G HN 1.131 nan 8.290 nan 0.000 0.522 163 A N -0.375 122.368 122.820 -0.130 0.000 2.014 163 A HA 0.342 4.664 4.320 0.005 0.000 0.218 163 A C 2.323 179.850 177.584 -0.095 0.000 1.163 163 A CA 1.662 53.599 52.037 -0.167 0.000 0.652 163 A CB -0.227 18.742 19.000 -0.052 0.000 0.808 163 A HN 0.729 nan 8.150 nan 0.000 0.449 164 I N 0.475 120.963 120.570 -0.137 0.000 2.142 164 I HA -0.156 4.017 4.170 0.005 0.000 0.240 164 I C -0.401 175.638 176.117 -0.130 0.000 1.078 164 I CA 1.499 62.695 61.300 -0.174 0.000 1.343 164 I CB -1.039 36.643 38.000 -0.530 0.000 1.046 164 I HN 0.225 nan 8.210 nan 0.000 0.405 165 P HA -0.142 nan 4.420 nan 0.000 0.218 165 P C 1.412 178.710 177.300 -0.003 0.000 1.149 165 P CA 1.862 64.959 63.100 -0.005 0.000 0.817 165 P CB -0.059 31.687 31.700 0.077 0.000 0.785 166 A N -0.446 122.330 122.820 -0.074 0.000 1.877 166 A HA -0.185 4.138 4.320 0.005 0.000 0.216 166 A C 2.056 179.589 177.584 -0.084 0.000 1.186 166 A CA 1.480 53.443 52.037 -0.124 0.000 0.620 166 A CB -1.793 17.055 19.000 -0.253 0.000 0.822 166 A HN 0.031 nan 8.150 nan 0.000 0.443 167 F N -0.131 119.810 119.950 -0.014 0.000 2.171 167 F HA -0.079 4.451 4.527 0.005 0.000 0.300 167 F C 2.093 177.900 175.800 0.011 0.000 1.090 167 F CA 0.871 58.871 58.000 -0.000 0.000 1.293 167 F CB -0.536 38.455 39.000 -0.016 0.000 1.013 167 F HN 0.116 nan 8.300 nan 0.000 0.486 168 I N -1.027 119.651 120.570 0.180 0.000 2.286 168 I HA -0.285 3.888 4.170 0.005 0.000 0.248 168 I C 2.303 178.481 176.117 0.102 0.000 1.115 168 I CA 1.210 62.582 61.300 0.121 0.000 1.392 168 I CB -0.518 37.538 38.000 0.095 0.000 1.065 168 I HN -0.028 nan 8.210 nan 0.000 0.418 169 S N 0.599 116.350 115.700 0.085 0.000 2.402 169 S HA -0.049 4.424 4.470 0.005 0.000 0.229 169 S C 1.930 176.583 174.600 0.088 0.000 1.021 169 S CA 0.954 59.198 58.200 0.073 0.000 0.974 169 S CB -0.256 62.975 63.200 0.051 0.000 0.800 169 S HN 0.372 nan 8.310 nan 0.000 0.484 170 L N 1.259 122.549 121.223 0.113 0.000 2.362 170 L HA 0.005 4.348 4.340 0.005 0.000 0.219 170 L C 1.763 178.719 176.870 0.144 0.000 1.134 170 L CA 0.560 55.482 54.840 0.136 0.000 0.807 170 L CB -0.507 41.662 42.059 0.184 0.000 0.927 170 L HN 0.334 nan 8.230 nan 0.000 0.447 171 L N -0.369 120.935 121.223 0.134 0.000 2.261 171 L HA -0.182 4.161 4.340 0.005 0.000 0.216 171 L C 2.500 179.437 176.870 0.110 0.000 1.114 171 L CA 0.943 55.856 54.840 0.122 0.000 0.777 171 L CB -0.567 41.551 42.059 0.099 0.000 0.910 171 L HN 0.256 nan 8.230 nan 0.000 0.440 172 A N -1.030 121.846 122.820 0.093 0.000 2.218 172 A HA 0.013 4.336 4.320 0.005 0.000 0.209 172 A C 1.339 178.964 177.584 0.069 0.000 1.168 172 A CA 0.106 52.187 52.037 0.073 0.000 0.804 172 A CB -0.147 18.888 19.000 0.058 0.000 0.834 172 A HN 0.283 nan 8.150 nan 0.000 0.482 173 S N 1.094 116.849 115.700 0.091 0.000 2.558 173 S HA 0.136 4.609 4.470 0.005 0.000 0.293 173 S C -0.779 173.846 174.600 0.042 0.000 1.292 173 S CA -0.438 57.819 58.200 0.094 0.000 1.063 173 S CB 0.629 63.915 63.200 0.144 0.000 0.831 173 S HN 0.334 nan 8.310 nan 0.000 0.499 174 P HA -0.005 nan 4.420 nan 0.000 0.233 174 P C -0.318 176.835 177.300 -0.244 0.000 1.167 174 P CA 0.804 63.806 63.100 -0.165 0.000 0.770 174 P CB -0.117 31.431 31.700 -0.254 0.000 0.837 175 H N -0.197 118.892 119.070 0.032 0.000 2.552 175 H HA 0.391 4.950 4.556 0.005 0.000 0.311 175 H C 1.209 176.572 175.328 0.059 0.000 1.071 175 H CA -0.253 55.829 56.048 0.057 0.000 1.307 175 H CB 1.746 31.513 29.762 0.008 0.000 1.416 175 H HN -0.041 nan 8.280 nan 0.000 0.464 176 A N 3.937 126.873 122.820 0.193 0.000 1.933 176 A HA -0.207 4.116 4.320 0.005 0.000 0.218 176 A C 2.031 179.781 177.584 0.278 0.000 1.175 176 A CA 1.418 53.536 52.037 0.135 0.000 0.628 176 A CB -0.669 18.304 19.000 -0.046 0.000 0.814 176 A HN 0.872 nan 8.150 nan 0.000 0.444 177 H N -0.710 118.416 119.070 0.094 0.000 2.457 177 H HA 0.062 4.621 4.556 0.005 0.000 0.294 177 H C 1.785 177.229 175.328 0.194 0.000 1.064 177 H CA 1.403 57.488 56.048 0.062 0.000 1.330 177 H CB -0.609 29.012 29.762 -0.234 0.000 1.395 177 H HN 0.502 nan 8.280 nan 0.000 0.541 178 I N 1.443 121.897 120.570 -0.193 0.000 2.400 178 I HA -0.187 3.986 4.170 0.005 0.000 0.248 178 I C 2.772 178.988 176.117 0.167 0.000 1.109 178 I CA 1.064 62.368 61.300 0.007 0.000 1.425 178 I CB -0.238 37.711 38.000 -0.086 0.000 1.094 178 I HN 0.323 nan 8.210 nan 0.000 0.425 179 S N 0.559 116.374 115.700 0.192 0.000 2.382 179 S HA -0.278 4.195 4.470 0.005 0.000 0.228 179 S C 1.907 176.642 174.600 0.225 0.000 1.027 179 S CA 1.610 59.946 58.200 0.227 0.000 0.991 179 S CB -0.514 62.840 63.200 0.257 0.000 0.823 179 S HN 0.508 nan 8.310 nan 0.000 0.469 180 E N 0.411 120.798 120.200 0.312 0.000 2.110 180 E HA -0.235 4.118 4.350 0.005 0.000 0.193 180 E C 2.267 178.967 176.600 0.168 0.000 0.988 180 E CA 1.271 57.766 56.400 0.157 0.000 0.804 180 E CB -0.190 29.706 29.700 0.326 0.000 0.745 180 E HN 0.542 nan 8.360 nan 0.000 0.458 181 Q N 0.156 120.081 119.800 0.207 0.000 2.137 181 Q HA 0.036 4.378 4.340 0.005 0.000 0.198 181 Q C 1.865 177.902 176.000 0.061 0.000 0.960 181 Q CA 1.601 57.488 55.803 0.139 0.000 0.847 181 Q CB -0.408 28.412 28.738 0.137 0.000 0.915 181 Q HN 0.347 nan 8.270 nan 0.000 0.448 182 A N -0.566 122.322 122.820 0.114 0.000 1.940 182 A HA -0.154 4.168 4.320 0.005 0.000 0.219 182 A C 2.222 179.768 177.584 -0.064 0.000 1.176 182 A CA 1.760 53.836 52.037 0.066 0.000 0.631 182 A CB -0.765 18.373 19.000 0.230 0.000 0.814 182 A HN 0.256 nan 8.150 nan 0.000 0.446 183 V N -1.872 118.049 119.914 0.011 0.000 2.379 183 V HA -0.206 3.917 4.120 0.005 0.000 0.245 183 V C 2.245 178.374 176.094 0.059 0.000 1.044 183 V CA 1.610 63.902 62.300 -0.012 0.000 1.036 183 V CB -0.854 30.918 31.823 -0.084 0.000 0.664 183 V HN 0.857 nan 8.190 nan 0.000 0.453 184 W N 1.244 122.491 121.300 -0.087 0.000 2.335 184 W HA -0.210 4.453 4.660 0.005 0.000 0.311 184 W C 2.540 179.015 176.519 -0.073 0.000 1.213 184 W CA 2.213 59.554 57.345 -0.006 0.000 1.274 184 W CB -0.763 28.639 29.460 -0.098 0.000 1.148 184 W HN 0.276 nan 8.180 nan 0.000 0.498 185 A N 0.360 123.138 122.820 -0.069 0.000 1.877 185 A HA -0.191 4.132 4.320 0.005 0.000 0.216 185 A C 2.282 179.681 177.584 -0.309 0.000 1.186 185 A CA 1.916 53.704 52.037 -0.415 0.000 0.620 185 A CB -1.142 16.995 19.000 -1.438 0.000 0.822 185 A HN 0.300 nan 8.150 nan 0.000 0.443 186 L N -0.624 120.419 121.223 -0.300 0.000 2.131 186 L HA -0.111 4.232 4.340 0.005 0.000 0.210 186 L C 2.781 179.586 176.870 -0.109 0.000 1.092 186 L CA 0.936 55.677 54.840 -0.164 0.000 0.759 186 L CB -0.709 41.286 42.059 -0.106 0.000 0.903 186 L HN 0.492 nan 8.230 nan 0.000 0.435 187 G N -0.219 108.535 108.800 -0.077 0.000 2.422 187 G HA2 -0.256 3.707 3.960 0.005 0.000 0.218 187 G HA3 -0.256 3.707 3.960 0.005 0.000 0.218 187 G C 1.417 176.228 174.900 -0.148 0.000 1.146 187 G CA 0.640 45.584 45.100 -0.261 0.000 0.769 187 G HN 0.312 nan 8.290 nan 0.000 0.547 188 N N 0.514 119.318 118.700 0.174 0.000 2.216 188 N HA 0.004 4.746 4.740 0.005 0.000 0.183 188 N C 2.223 177.787 175.510 0.090 0.000 1.017 188 N CA 0.590 53.770 53.050 0.216 0.000 0.861 188 N CB -0.152 38.481 38.487 0.244 0.000 0.986 188 N HN 0.361 nan 8.380 nan 0.000 0.428 189 I N 1.001 121.584 120.570 0.021 0.000 2.163 189 I HA -0.200 3.973 4.170 0.005 0.000 0.240 189 I C 2.319 178.476 176.117 0.067 0.000 1.081 189 I CA 1.015 62.322 61.300 0.011 0.000 1.353 189 I CB -0.381 37.563 38.000 -0.094 0.000 1.054 189 I HN 0.030 nan 8.210 nan 0.000 0.407 190 A N 0.950 123.764 122.820 -0.011 0.000 1.940 190 A HA -0.171 4.152 4.320 0.005 0.000 0.219 190 A C 2.351 179.905 177.584 -0.050 0.000 1.176 190 A CA 1.976 53.997 52.037 -0.027 0.000 0.631 190 A CB -1.473 17.464 19.000 -0.106 0.000 0.814 190 A HN 0.509 nan 8.150 nan 0.000 0.446 191 G N -0.747 108.002 108.800 -0.084 0.000 2.559 191 G HA2 -0.162 3.801 3.960 0.005 0.000 0.216 191 G HA3 -0.162 3.801 3.960 0.005 0.000 0.216 191 G C 1.079 175.970 174.900 -0.015 0.000 1.126 191 G CA 1.169 46.215 45.100 -0.089 0.000 0.778 191 G HN 0.603 nan 8.290 nan 0.000 0.543 192 D N -0.256 120.179 120.400 0.059 0.000 2.219 192 D HA 0.269 4.911 4.640 0.005 0.000 0.205 192 D C 1.254 177.535 176.300 -0.032 0.000 0.970 192 D CA 1.430 55.470 54.000 0.066 0.000 0.851 192 D CB 0.025 40.954 40.800 0.214 0.000 0.943 192 D HN 0.440 nan 8.370 nan 0.000 0.488 193 G N -2.550 106.218 108.800 -0.053 0.000 2.368 193 G HA2 0.020 3.983 3.960 0.005 0.000 0.302 193 G HA3 0.020 3.983 3.960 0.005 0.000 0.302 193 G C 0.436 175.282 174.900 -0.090 0.000 1.329 193 G CA 0.019 45.056 45.100 -0.105 0.000 0.935 193 G HN -0.127 nan 8.290 nan 0.000 0.590 194 S N -0.331 115.310 115.700 -0.099 0.000 2.359 194 S HA -0.095 4.378 4.470 0.005 0.000 0.224 194 S C 2.843 177.416 174.600 -0.044 0.000 1.035 194 S CA 2.793 60.952 58.200 -0.070 0.000 1.018 194 S CB -0.525 62.633 63.200 -0.070 0.000 0.876 194 S HN 1.490 nan 8.310 nan 0.000 0.448 195 A N 0.896 123.661 122.820 -0.091 0.000 1.877 195 A HA -0.031 4.292 4.320 0.005 0.000 0.216 195 A C 1.840 179.484 177.584 0.100 0.000 1.186 195 A CA 1.375 53.379 52.037 -0.056 0.000 0.620 195 A CB -0.744 18.157 19.000 -0.164 0.000 0.822 195 A HN 0.472 nan 8.150 nan 0.000 0.443 196 F N -0.160 119.785 119.950 -0.009 0.000 2.206 196 F HA 0.007 4.537 4.527 0.005 0.000 0.298 196 F C 2.337 178.129 175.800 -0.013 0.000 1.090 196 F CA 0.764 58.761 58.000 -0.004 0.000 1.323 196 F CB -0.862 38.132 39.000 -0.010 0.000 1.028 196 F HN 0.273 nan 8.300 nan 0.000 0.492 197 R N 0.746 121.334 120.500 0.148 0.000 2.094 197 R HA -0.193 4.150 4.340 0.005 0.000 0.239 197 R C 1.679 178.015 176.300 0.060 0.000 1.137 197 R CA 2.259 58.390 56.100 0.052 0.000 0.943 197 R CB -0.487 29.806 30.300 -0.011 0.000 0.850 197 R HN 0.111 nan 8.270 nan 0.000 0.433 198 D N 0.515 120.954 120.400 0.065 0.000 2.178 198 D HA -0.136 4.507 4.640 0.005 0.000 0.202 198 D C 1.827 178.187 176.300 0.100 0.000 0.974 198 D CA 0.615 54.653 54.000 0.063 0.000 0.841 198 D CB -0.114 40.711 40.800 0.042 0.000 0.953 198 D HN 0.169 nan 8.370 nan 0.000 0.478 199 L N 0.496 121.813 121.223 0.155 0.000 2.027 199 L HA -0.112 4.231 4.340 0.005 0.000 0.206 199 L C 2.300 179.320 176.870 0.250 0.000 1.074 199 L CA 1.129 56.099 54.840 0.216 0.000 0.745 199 L CB -0.546 41.668 42.059 0.258 0.000 0.898 199 L HN -0.135 nan 8.230 nan 0.000 0.433 200 V N -0.072 119.924 119.914 0.137 0.000 2.282 200 V HA -0.360 3.763 4.120 0.005 0.000 0.249 200 V C 2.498 178.656 176.094 0.107 0.000 1.057 200 V CA 2.327 64.679 62.300 0.086 0.000 1.032 200 V CB -0.547 31.289 31.823 0.021 0.000 0.645 200 V HN 0.407 nan 8.190 nan 0.000 0.447 201 I N -0.599 120.019 120.570 0.080 0.000 2.163 201 I HA -0.274 3.899 4.170 0.005 0.000 0.243 201 I C 2.577 178.736 176.117 0.070 0.000 1.085 201 I CA 1.718 63.054 61.300 0.060 0.000 1.347 201 I CB -0.456 37.566 38.000 0.037 0.000 1.044 201 I HN 0.261 nan 8.210 nan 0.000 0.408 202 K N -0.206 120.242 120.400 0.079 0.000 2.097 202 K HA -0.191 4.132 4.320 0.005 0.000 0.206 202 K C 1.860 178.464 176.600 0.007 0.000 1.049 202 K CA 1.425 57.730 56.287 0.030 0.000 0.933 202 K CB -0.305 32.194 32.500 -0.001 0.000 0.717 202 K HN 0.403 nan 8.250 nan 0.000 0.442 203 H N -0.789 118.294 119.070 0.021 0.000 2.563 203 H HA 0.041 4.600 4.556 0.005 0.000 0.272 203 H C 0.857 176.199 175.328 0.022 0.000 1.005 203 H CA 0.908 56.969 56.048 0.021 0.000 1.171 203 H CB 0.268 30.044 29.762 0.024 0.000 1.351 203 H HN 0.474 nan 8.280 nan 0.000 0.602 204 G N -0.308 108.560 108.800 0.114 0.000 2.165 204 G HA2 -0.252 3.711 3.960 0.005 0.000 0.226 204 G HA3 -0.252 3.711 3.960 0.005 0.000 0.226 204 G C 1.161 176.103 174.900 0.070 0.000 1.035 204 G CA 0.354 45.498 45.100 0.074 0.000 0.744 204 G HN 0.579 nan 8.290 nan 0.000 0.501 205 A N -0.542 122.320 122.820 0.069 0.000 2.014 205 A HA 0.369 4.692 4.320 0.005 0.000 0.218 205 A C 2.328 179.931 177.584 0.032 0.000 1.163 205 A CA 1.583 53.650 52.037 0.049 0.000 0.652 205 A CB -0.185 18.836 19.000 0.035 0.000 0.808 205 A HN 0.700 nan 8.150 nan 0.000 0.449 206 I N -0.153 120.433 120.570 0.027 0.000 2.142 206 I HA -0.249 3.924 4.170 0.005 0.000 0.240 206 I C 2.032 178.161 176.117 0.020 0.000 1.078 206 I CA 1.495 62.805 61.300 0.017 0.000 1.343 206 I CB -0.481 37.528 38.000 0.015 0.000 1.046 206 I HN 0.239 nan 8.210 nan 0.000 0.405 207 D N 1.058 121.473 120.400 0.025 0.000 2.137 207 D HA -0.176 4.467 4.640 0.005 0.000 0.189 207 D C -0.524 175.793 176.300 0.030 0.000 0.998 207 D CA 1.829 55.845 54.000 0.025 0.000 0.839 207 D CB -1.829 38.987 40.800 0.026 0.000 0.962 207 D HN 0.297 nan 8.370 nan 0.000 0.446 208 P HA -0.044 nan 4.420 nan 0.000 0.221 208 P C 1.964 179.289 177.300 0.043 0.000 1.150 208 P CA 0.710 63.836 63.100 0.043 0.000 0.800 208 P CB -0.005 31.726 31.700 0.052 0.000 0.787 209 L N -0.830 120.412 121.223 0.031 0.000 2.012 209 L HA -0.159 4.184 4.340 0.005 0.000 0.210 209 L C 2.762 179.644 176.870 0.020 0.000 1.073 209 L CA 1.441 56.291 54.840 0.017 0.000 0.748 209 L CB -1.085 40.971 42.059 -0.004 0.000 0.891 209 L HN -0.119 nan 8.230 nan 0.000 0.431 210 L N -0.663 120.572 121.223 0.019 0.000 2.141 210 L HA -0.121 4.222 4.340 0.005 0.000 0.209 210 L C 2.808 179.695 176.870 0.028 0.000 1.094 210 L CA 0.804 55.656 54.840 0.019 0.000 0.763 210 L CB -0.779 41.288 42.059 0.015 0.000 0.908 210 L HN 0.224 nan 8.230 nan 0.000 0.437 211 A N 0.290 123.130 122.820 0.033 0.000 2.024 211 A HA -0.136 4.187 4.320 0.005 0.000 0.220 211 A C 2.194 179.810 177.584 0.053 0.000 1.164 211 A CA 1.261 53.321 52.037 0.038 0.000 0.643 211 A CB -0.633 18.389 19.000 0.038 0.000 0.806 211 A HN 0.414 nan 8.150 nan 0.000 0.451 212 L N -1.150 120.116 121.223 0.072 0.000 2.465 212 L HA 0.018 4.361 4.340 0.005 0.000 0.224 212 L C 1.497 178.437 176.870 0.116 0.000 1.145 212 L CA 0.426 55.340 54.840 0.123 0.000 0.834 212 L CB -0.162 42.004 42.059 0.178 0.000 0.944 212 L HN 0.347 nan 8.230 nan 0.000 0.451 213 L N -0.588 120.675 121.223 0.066 0.000 2.693 213 L HA 0.263 4.606 4.340 0.005 0.000 0.235 213 L C 1.326 178.213 176.870 0.028 0.000 1.127 213 L CA -0.316 54.551 54.840 0.044 0.000 0.914 213 L CB 0.178 42.250 42.059 0.022 0.000 1.193 213 L HN 0.038 nan 8.230 nan 0.000 0.502 214 A N 1.471 124.309 122.820 0.030 0.000 3.077 214 A HA 0.436 4.759 4.320 0.005 0.000 0.255 214 A C 0.165 177.759 177.584 0.016 0.000 1.728 214 A CA -0.155 51.894 52.037 0.020 0.000 1.383 214 A CB -0.903 18.109 19.000 0.019 0.000 1.097 214 A HN 0.106 nan 8.150 nan 0.000 0.634 215 V N -2.210 117.713 119.914 0.014 0.000 2.769 215 V HA 0.575 4.698 4.120 0.005 0.000 0.312 215 V C -1.872 174.229 176.094 0.011 0.000 1.061 215 V CA -1.824 60.482 62.300 0.010 0.000 0.931 215 V CB 1.279 33.108 31.823 0.010 0.000 1.010 215 V HN 0.286 nan 8.190 nan 0.000 0.433 216 P HA 0.006 nan 4.420 nan 0.000 0.216 216 P C -0.128 177.183 177.300 0.017 0.000 1.150 216 P CA 1.385 64.491 63.100 0.010 0.000 0.837 216 P CB 0.148 31.852 31.700 0.007 0.000 0.786 217 D N -1.492 118.922 120.400 0.023 0.000 2.593 217 D HA 0.172 4.815 4.640 0.005 0.000 0.251 217 D C 0.773 177.101 176.300 0.047 0.000 1.140 217 D CA -0.452 53.572 54.000 0.039 0.000 0.855 217 D CB 1.091 41.913 40.800 0.037 0.000 1.267 217 D HN -0.201 nan 8.370 nan 0.000 0.532 218 L N 1.999 123.262 121.223 0.066 0.000 2.291 218 L HA -0.036 4.307 4.340 0.005 0.000 0.214 218 L C 2.009 178.923 176.870 0.073 0.000 1.120 218 L CA 0.470 55.322 54.840 0.020 0.000 0.799 218 L CB -0.073 41.928 42.059 -0.095 0.000 0.925 218 L HN 0.311 nan 8.230 nan 0.000 0.446 219 S N -0.825 114.974 115.700 0.165 0.000 2.507 219 S HA -0.112 4.361 4.470 0.005 0.000 0.235 219 S C 1.965 176.616 174.600 0.085 0.000 0.988 219 S CA 1.464 59.769 58.200 0.176 0.000 0.944 219 S CB -0.222 63.059 63.200 0.134 0.000 0.762 219 S HN 0.626 nan 8.310 nan 0.000 0.526 220 T N -0.222 114.363 114.554 0.051 0.000 3.113 220 T HA 0.253 4.606 4.350 0.005 0.000 0.256 220 T C 0.523 175.227 174.700 0.006 0.000 1.131 220 T CA 0.066 62.179 62.100 0.022 0.000 1.074 220 T CB -0.323 68.550 68.868 0.008 0.000 0.944 220 T HN 0.159 nan 8.240 nan 0.000 0.516 221 L N 1.663 122.897 121.223 0.017 0.000 2.375 221 L HA 0.618 4.960 4.340 0.005 0.000 0.271 221 L C 0.917 177.806 176.870 0.031 0.000 1.107 221 L CA -1.213 53.628 54.840 0.003 0.000 0.806 221 L CB 0.499 42.587 42.059 0.049 0.000 1.146 221 L HN 0.158 nan 8.230 nan 0.000 0.447 222 A N 1.153 123.980 122.820 0.011 0.000 2.531 222 A HA -0.017 4.306 4.320 0.005 0.000 0.236 222 A C 1.136 178.787 177.584 0.112 0.000 1.062 222 A CA -0.087 51.983 52.037 0.054 0.000 0.760 222 A CB 0.297 19.324 19.000 0.045 0.000 0.995 222 A HN 1.083 nan 8.150 nan 0.000 0.501 223 C N 2.387 121.742 119.300 0.091 0.000 2.436 223 C HA -0.019 4.444 4.460 0.005 0.000 0.277 223 C C 2.684 177.719 174.990 0.075 0.000 1.241 223 C CA 1.822 60.894 59.018 0.090 0.000 1.721 223 C CB -1.611 26.172 27.740 0.072 0.000 2.043 223 C HN 0.959 nan 8.230 nan 0.000 0.472 224 G N -1.972 106.871 108.800 0.072 0.000 2.422 224 G HA2 -0.217 3.745 3.960 0.005 0.000 0.218 224 G HA3 -0.217 3.745 3.960 0.005 0.000 0.218 224 G C 1.451 176.382 174.900 0.052 0.000 1.146 224 G CA 1.058 46.182 45.100 0.040 0.000 0.769 224 G HN 0.690 nan 8.290 nan 0.000 0.547 225 Y N 0.447 120.745 120.300 -0.002 0.000 2.097 225 Y HA -0.119 4.434 4.550 0.005 0.000 0.282 225 Y C 2.546 178.438 175.900 -0.014 0.000 1.152 225 Y CA 1.685 59.789 58.100 0.006 0.000 1.136 225 Y CB -0.256 38.217 38.460 0.021 0.000 0.975 225 Y HN 0.152 nan 8.280 nan 0.000 0.498 226 L N 0.771 122.074 121.223 0.133 0.000 2.083 226 L HA -0.167 4.176 4.340 0.005 0.000 0.209 226 L C 2.278 179.122 176.870 -0.044 0.000 1.083 226 L CA 1.678 56.529 54.840 0.017 0.000 0.752 226 L CB -0.731 41.323 42.059 -0.008 0.000 0.899 226 L HN 0.139 nan 8.230 nan 0.000 0.433 227 R N -0.564 119.917 120.500 -0.032 0.000 2.081 227 R HA -0.141 4.202 4.340 0.005 0.000 0.235 227 R C 2.080 178.320 176.300 -0.099 0.000 1.131 227 R CA 1.514 57.581 56.100 -0.054 0.000 0.960 227 R CB -0.543 29.715 30.300 -0.070 0.000 0.856 227 R HN 0.477 nan 8.270 nan 0.000 0.436 228 N N 0.839 119.428 118.700 -0.185 0.000 2.084 228 N HA -0.157 4.586 4.740 0.005 0.000 0.190 228 N C 1.912 177.362 175.510 -0.100 0.000 1.030 228 N CA 1.131 54.045 53.050 -0.228 0.000 0.849 228 N CB -0.203 38.098 38.487 -0.309 0.000 1.012 228 N HN 0.186 nan 8.380 nan 0.000 0.423 229 L N 0.944 122.065 121.223 -0.170 0.000 2.012 229 L HA -0.179 4.164 4.340 0.005 0.000 0.210 229 L C 2.233 179.068 176.870 -0.060 0.000 1.073 229 L CA 1.221 55.979 54.840 -0.136 0.000 0.748 229 L CB -0.618 41.345 42.059 -0.160 0.000 0.891 229 L HN 0.191 nan 8.230 nan 0.000 0.431 230 T N -1.645 112.893 114.554 -0.027 0.000 2.708 230 T HA -0.270 4.083 4.350 0.005 0.000 0.266 230 T C 1.260 175.985 174.700 0.042 0.000 1.037 230 T CA 1.588 63.694 62.100 0.009 0.000 1.146 230 T CB -0.462 68.423 68.868 0.027 0.000 0.865 230 T HN 0.527 nan 8.240 nan 0.000 0.435 231 W N 1.931 123.166 121.300 -0.108 0.000 2.338 231 W HA -0.192 4.470 4.660 0.004 0.000 0.304 231 W C 2.254 178.721 176.519 -0.086 0.000 1.212 231 W CA 1.611 58.891 57.345 -0.108 0.000 1.264 231 W CB -0.819 28.519 29.460 -0.204 0.000 1.142 231 W HN 0.104 nan 8.180 nan 0.000 0.512 232 T N 1.353 115.748 114.554 -0.265 0.000 2.777 232 T HA -0.176 4.177 4.350 0.005 0.000 0.266 232 T C 1.947 176.473 174.700 -0.290 0.000 1.040 232 T CA 1.730 63.579 62.100 -0.417 0.000 1.141 232 T CB -0.531 68.228 68.868 -0.180 0.000 0.868 232 T HN 0.128 nan 8.240 nan 0.000 0.444 233 L N 1.468 122.596 121.223 -0.158 0.000 2.042 233 L HA -0.140 4.203 4.340 0.005 0.000 0.210 233 L C 2.935 179.760 176.870 -0.075 0.000 1.076 233 L CA 1.584 56.369 54.840 -0.091 0.000 0.749 233 L CB -0.743 41.290 42.059 -0.044 0.000 0.893 233 L HN 0.394 nan 8.230 nan 0.000 0.432 234 S N -0.136 115.518 115.700 -0.077 0.000 2.382 234 S HA -0.182 4.291 4.470 0.005 0.000 0.228 234 S C 1.769 176.373 174.600 0.006 0.000 1.027 234 S CA 1.454 59.671 58.200 0.028 0.000 0.991 234 S CB -0.422 62.823 63.200 0.076 0.000 0.823 234 S HN 0.396 nan 8.310 nan 0.000 0.469 235 N N 1.714 120.251 118.700 -0.272 0.000 2.309 235 N HA 0.122 4.864 4.740 0.005 0.000 0.182 235 N C 1.522 176.907 175.510 -0.208 0.000 1.018 235 N CA 0.998 53.850 53.050 -0.331 0.000 0.876 235 N CB -0.599 37.554 38.487 -0.557 0.000 0.972 235 N HN 0.480 nan 8.380 nan 0.000 0.434 236 L N -0.756 120.378 121.223 -0.149 0.000 2.395 236 L HA -0.022 4.321 4.340 0.005 0.000 0.218 236 L C 1.358 178.206 176.870 -0.037 0.000 1.130 236 L CA 0.367 55.157 54.840 -0.082 0.000 0.826 236 L CB -0.021 42.001 42.059 -0.062 0.000 0.941 236 L HN 0.184 nan 8.230 nan 0.000 0.451 237 C N -1.117 118.184 119.300 0.002 0.000 2.799 237 C HA 0.110 4.573 4.460 0.005 0.000 0.267 237 C C 1.577 176.592 174.990 0.041 0.000 1.257 237 C CA -0.500 58.564 59.018 0.076 0.000 1.702 237 C CB -0.739 27.113 27.740 0.187 0.000 1.934 237 C HN 0.312 nan 8.230 nan 0.000 0.594 238 R N 2.072 122.481 120.500 -0.152 0.000 2.500 238 R HA 0.321 4.663 4.340 0.005 0.000 0.277 238 R C -0.672 175.439 176.300 -0.314 0.000 1.026 238 R CA 0.189 55.978 56.100 -0.518 0.000 1.058 238 R CB 0.361 30.132 30.300 -0.883 0.000 1.078 238 R HN 0.424 nan 8.270 nan 0.000 0.509 239 N N 1.319 119.831 118.700 -0.313 0.000 5.252 239 N HA -0.133 4.610 4.740 0.005 0.000 0.381 239 N C -0.962 174.489 175.510 -0.098 0.000 1.759 239 N CA 0.087 53.027 53.050 -0.184 0.000 2.541 239 N CB -0.251 38.142 38.487 -0.158 0.000 0.533 239 N HN 0.793 nan 8.380 nan 0.000 0.624 240 K N 0.073 120.432 120.400 -0.069 0.000 2.608 240 K HA 0.210 4.533 4.320 0.005 0.000 0.209 240 K C -0.805 175.778 176.600 -0.028 0.000 1.369 240 K CA -0.044 56.222 56.287 -0.035 0.000 1.029 240 K CB 0.381 32.872 32.500 -0.015 0.000 1.139 240 K HN 0.369 nan 8.250 nan 0.000 0.623 241 N N 2.569 121.246 118.700 -0.038 0.000 2.918 241 N HA 0.235 4.978 4.740 0.005 0.000 0.270 241 N C -2.621 172.869 175.510 -0.035 0.000 1.536 241 N CA -0.692 52.339 53.050 -0.031 0.000 0.877 241 N CB 1.459 39.927 38.487 -0.031 0.000 1.190 241 N HN 0.201 nan 8.380 nan 0.000 0.492 242 P HA 0.525 nan 4.420 nan 0.000 0.286 242 P C -0.453 176.834 177.300 -0.022 0.000 1.292 242 P CA -0.571 62.517 63.100 -0.020 0.000 0.842 242 P CB 1.032 32.724 31.700 -0.013 0.000 1.207 243 A N 1.075 123.888 122.820 -0.011 0.000 2.406 243 A HA 0.458 4.780 4.320 0.005 0.000 0.243 243 A C -2.064 175.517 177.584 -0.004 0.000 1.082 243 A CA -0.874 51.160 52.037 -0.005 0.000 0.786 243 A CB -1.597 17.409 19.000 0.010 0.000 1.029 243 A HN 0.437 nan 8.150 nan 0.000 0.495 244 P HA 0.227 nan 4.420 nan 0.000 0.269 244 P C -2.500 174.805 177.300 0.007 0.000 1.215 244 P CA -0.871 62.230 63.100 0.002 0.000 0.780 244 P CB -0.365 31.339 31.700 0.006 0.000 0.898 245 P HA 0.055 nan 4.420 nan 0.000 0.265 245 P C 1.129 178.435 177.300 0.011 0.000 1.193 245 P CA 0.187 63.292 63.100 0.009 0.000 0.765 245 P CB 0.441 32.146 31.700 0.009 0.000 0.823 246 L N 2.049 123.279 121.223 0.011 0.000 2.051 246 L HA -0.290 4.053 4.340 0.005 0.000 0.214 246 L C 1.794 178.671 176.870 0.011 0.000 1.076 246 L CA 2.481 57.328 54.840 0.012 0.000 0.758 246 L CB -0.938 41.127 42.059 0.010 0.000 0.890 246 L HN 0.448 nan 8.230 nan 0.000 0.433 247 D N -0.380 120.026 120.400 0.010 0.000 2.183 247 D HA -0.121 4.522 4.640 0.005 0.000 0.203 247 D C 2.058 178.365 176.300 0.011 0.000 0.969 247 D CA 0.938 54.944 54.000 0.010 0.000 0.842 247 D CB -0.127 40.678 40.800 0.008 0.000 0.957 247 D HN 0.270 nan 8.370 nan 0.000 0.484 248 A N 0.945 123.772 122.820 0.012 0.000 1.877 248 A HA -0.108 4.215 4.320 0.005 0.000 0.216 248 A C 2.428 180.020 177.584 0.013 0.000 1.186 248 A CA 1.449 53.493 52.037 0.012 0.000 0.620 248 A CB -1.046 17.961 19.000 0.012 0.000 0.822 248 A HN 0.191 nan 8.150 nan 0.000 0.443 249 V N 0.200 120.123 119.914 0.016 0.000 2.392 249 V HA -0.222 3.901 4.120 0.005 0.000 0.249 249 V C 2.603 178.707 176.094 0.017 0.000 1.059 249 V CA 2.227 64.539 62.300 0.019 0.000 1.051 249 V CB -0.676 31.160 31.823 0.023 0.000 0.658 249 V HN 0.496 nan 8.190 nan 0.000 0.455 250 E N -0.439 119.770 120.200 0.014 0.000 2.152 250 E HA -0.177 4.176 4.350 0.005 0.000 0.192 250 E C 2.214 178.821 176.600 0.012 0.000 0.983 250 E CA 0.924 57.331 56.400 0.012 0.000 0.818 250 E CB -0.113 29.593 29.700 0.010 0.000 0.758 250 E HN 0.684 nan 8.360 nan 0.000 0.467 251 Q N -0.095 119.712 119.800 0.011 0.000 2.119 251 Q HA -0.047 4.295 4.340 0.005 0.000 0.201 251 Q C 2.132 178.139 176.000 0.011 0.000 0.972 251 Q CA 0.983 56.792 55.803 0.011 0.000 0.847 251 Q CB 0.101 28.846 28.738 0.011 0.000 0.903 251 Q HN 0.260 nan 8.270 nan 0.000 0.433 252 I N -0.200 120.378 120.570 0.012 0.000 2.480 252 I HA -0.212 3.961 4.170 0.005 0.000 0.251 252 I C 2.010 178.136 176.117 0.015 0.000 1.124 252 I CA 0.340 61.647 61.300 0.012 0.000 1.444 252 I CB -0.117 37.890 38.000 0.012 0.000 1.098 252 I HN 0.226 nan 8.210 nan 0.000 0.428 253 L N 1.207 122.441 121.223 0.017 0.000 2.034 253 L HA -0.225 4.118 4.340 0.005 0.000 0.217 253 L C -0.297 176.584 176.870 0.020 0.000 1.077 253 L CA 2.146 56.998 54.840 0.019 0.000 0.769 253 L CB -1.813 40.257 42.059 0.018 0.000 0.890 253 L HN 0.201 nan 8.230 nan 0.000 0.435 254 P HA -0.143 nan 4.420 nan 0.000 0.218 254 P C 1.519 178.829 177.300 0.016 0.000 1.148 254 P CA 1.485 64.593 63.100 0.013 0.000 0.822 254 P CB -0.060 31.645 31.700 0.008 0.000 0.784 255 T N -0.505 114.059 114.554 0.016 0.000 2.896 255 T HA -0.044 4.309 4.350 0.005 0.000 0.263 255 T C 1.594 176.308 174.700 0.024 0.000 1.050 255 T CA 0.514 62.624 62.100 0.016 0.000 1.140 255 T CB -0.743 68.131 68.868 0.010 0.000 0.877 255 T HN -0.025 nan 8.240 nan 0.000 0.457 256 L N 1.771 123.010 121.223 0.025 0.000 2.046 256 L HA -0.001 4.342 4.340 0.005 0.000 0.208 256 L C 2.378 179.278 176.870 0.051 0.000 1.077 256 L CA 1.514 56.373 54.840 0.031 0.000 0.747 256 L CB -0.989 41.085 42.059 0.024 0.000 0.896 256 L HN 0.074 nan 8.230 nan 0.000 0.432 257 V N 0.064 120.012 119.914 0.058 0.000 2.332 257 V HA -0.316 3.807 4.120 0.005 0.000 0.248 257 V C 2.797 178.990 176.094 0.164 0.000 1.055 257 V CA 2.181 64.541 62.300 0.100 0.000 1.038 257 V CB -0.820 31.044 31.823 0.069 0.000 0.651 257 V HN 0.509 nan 8.190 nan 0.000 0.450 258 R N -0.312 120.242 120.500 0.090 0.000 2.092 258 R HA -0.093 4.250 4.340 0.005 0.000 0.231 258 R C 2.235 178.614 176.300 0.133 0.000 1.119 258 R CA 1.391 57.542 56.100 0.085 0.000 0.970 258 R CB -0.226 30.094 30.300 0.033 0.000 0.864 258 R HN 0.473 nan 8.270 nan 0.000 0.440 259 L N 0.356 121.635 121.223 0.095 0.000 2.201 259 L HA -0.144 4.199 4.340 0.005 0.000 0.212 259 L C 2.115 179.060 176.870 0.125 0.000 1.105 259 L CA 0.289 55.184 54.840 0.092 0.000 0.775 259 L CB -0.291 41.791 42.059 0.038 0.000 0.913 259 L HN 0.197 nan 8.230 nan 0.000 0.440 260 L N -0.788 120.497 121.223 0.104 0.000 2.450 260 L HA -0.162 4.181 4.340 0.005 0.000 0.224 260 L C 2.027 178.860 176.870 -0.062 0.000 1.149 260 L CA 1.653 56.506 54.840 0.023 0.000 0.816 260 L CB -0.702 41.360 42.059 0.006 0.000 0.932 260 L HN 0.319 nan 8.230 nan 0.000 0.449 261 H N -3.224 115.874 119.070 0.046 0.000 2.542 261 H HA 0.140 4.699 4.556 0.005 0.000 0.283 261 H C -0.176 175.189 175.328 0.062 0.000 1.059 261 H CA -0.234 55.836 56.048 0.038 0.000 1.162 261 H CB 0.211 29.991 29.762 0.030 0.000 1.539 261 H HN 0.252 nan 8.280 nan 0.000 0.543 262 H N 2.230 121.351 119.070 0.086 0.000 2.668 262 H HA 0.072 4.631 4.556 0.005 0.000 0.303 262 H C -0.022 175.322 175.328 0.026 0.000 1.074 262 H CA -0.735 55.345 56.048 0.054 0.000 1.406 262 H CB 0.429 30.219 29.762 0.046 0.000 1.442 262 H HN 0.089 nan 8.280 nan 0.000 0.482 263 N N 4.432 122.868 118.700 -0.441 0.000 2.895 263 N HA 0.084 4.827 4.740 0.005 0.000 0.277 263 N C -0.977 174.347 175.510 -0.310 0.000 1.185 263 N CA -0.108 52.769 53.050 -0.288 0.000 1.106 263 N CB 0.053 38.431 38.487 -0.181 0.000 1.422 263 N HN 0.627 nan 8.380 nan 0.000 0.521 264 D N 0.005 120.316 120.400 -0.148 0.000 2.936 264 D HA 0.343 4.986 4.640 0.005 0.000 0.238 264 D C -2.134 174.184 176.300 0.030 0.000 1.248 264 D CA -1.797 52.198 54.000 -0.008 0.000 0.903 264 D CB 2.300 43.176 40.800 0.127 0.000 1.544 264 D HN -0.093 nan 8.370 nan 0.000 0.543 265 P HA -0.098 nan 4.420 nan 0.000 0.218 265 P C 0.874 178.193 177.300 0.031 0.000 1.149 265 P CA 0.857 63.963 63.100 0.009 0.000 0.817 265 P CB 0.289 31.989 31.700 0.001 0.000 0.785 266 E N -0.313 119.912 120.200 0.042 0.000 2.112 266 E HA -0.093 4.260 4.350 0.005 0.000 0.190 266 E C 1.730 178.373 176.600 0.072 0.000 0.979 266 E CA 0.752 57.182 56.400 0.050 0.000 0.814 266 E CB -0.494 29.220 29.700 0.022 0.000 0.762 266 E HN -0.100 nan 8.360 nan 0.000 0.460 267 V N 1.395 121.361 119.914 0.087 0.000 2.407 267 V HA -0.257 3.866 4.120 0.005 0.000 0.248 267 V C 2.425 178.571 176.094 0.086 0.000 1.055 267 V CA 1.521 63.880 62.300 0.099 0.000 1.049 267 V CB -0.436 31.480 31.823 0.156 0.000 0.662 267 V HN 0.346 nan 8.190 nan 0.000 0.455 268 L N -0.200 121.064 121.223 0.069 0.000 2.072 268 L HA -0.091 4.252 4.340 0.005 0.000 0.205 268 L C 2.756 179.625 176.870 -0.002 0.000 1.079 268 L CA 1.366 56.218 54.840 0.020 0.000 0.752 268 L CB -0.829 41.221 42.059 -0.014 0.000 0.906 268 L HN 0.337 nan 8.230 nan 0.000 0.436 269 A N 0.272 123.106 122.820 0.024 0.000 1.859 269 A HA -0.281 4.042 4.320 0.005 0.000 0.217 269 A C 1.960 179.631 177.584 0.144 0.000 1.198 269 A CA 2.290 54.355 52.037 0.045 0.000 0.629 269 A CB -0.748 18.328 19.000 0.127 0.000 0.830 269 A HN 0.372 nan 8.150 nan 0.000 0.446 270 D N -0.344 120.188 120.400 0.220 0.000 2.218 270 D HA -0.061 4.582 4.640 0.005 0.000 0.204 270 D C 2.266 178.654 176.300 0.147 0.000 0.976 270 D CA 1.341 55.505 54.000 0.274 0.000 0.853 270 D CB -0.277 40.661 40.800 0.232 0.000 0.939 270 D HN 0.392 nan 8.370 nan 0.000 0.481 271 S N -0.185 115.554 115.700 0.065 0.000 2.356 271 S HA -0.139 4.334 4.470 0.005 0.000 0.223 271 S C 2.271 176.844 174.600 -0.045 0.000 1.032 271 S CA 0.695 58.904 58.200 0.015 0.000 1.005 271 S CB -0.284 62.922 63.200 0.010 0.000 0.867 271 S HN 0.388 nan 8.310 nan 0.000 0.449 272 C N 0.103 119.339 119.300 -0.108 0.000 2.425 272 C HA -0.073 4.390 4.460 0.005 0.000 0.277 272 C C 2.229 177.021 174.990 -0.330 0.000 1.280 272 C CA 0.048 58.930 59.018 -0.228 0.000 1.744 272 C CB -1.610 25.936 27.740 -0.325 0.000 1.989 272 C HN 0.731 nan 8.230 nan 0.000 0.491 273 W N 1.121 122.274 121.300 -0.246 0.000 2.335 273 W HA -0.164 4.499 4.660 0.006 0.000 0.311 273 W C 2.700 178.727 176.519 -0.821 0.000 1.213 273 W CA 1.359 58.389 57.345 -0.525 0.000 1.274 273 W CB -0.685 28.533 29.460 -0.404 0.000 1.148 273 W HN 0.280 nan 8.180 nan 0.000 0.498 274 A N 0.187 122.896 122.820 -0.185 0.000 1.892 274 A HA -0.230 4.093 4.320 0.005 0.000 0.218 274 A C 1.869 179.410 177.584 -0.071 0.000 1.188 274 A CA 1.923 53.915 52.037 -0.075 0.000 0.631 274 A CB -0.866 18.157 19.000 0.038 0.000 0.822 274 A HN 0.200 nan 8.150 nan 0.000 0.447 275 I N 0.863 121.377 120.570 -0.093 0.000 2.315 275 I HA -0.179 3.994 4.170 0.005 0.000 0.248 275 I C 2.851 178.928 176.117 -0.066 0.000 1.117 275 I CA 1.947 63.212 61.300 -0.058 0.000 1.404 275 I CB -1.425 36.532 38.000 -0.070 0.000 1.071 275 I HN 0.562 nan 8.210 nan 0.000 0.419 276 S N 0.794 116.400 115.700 -0.158 0.000 2.399 276 S HA -0.212 4.260 4.470 0.005 0.000 0.231 276 S C 2.087 176.727 174.600 0.068 0.000 1.022 276 S CA 1.027 59.172 58.200 -0.092 0.000 0.983 276 S CB -0.660 62.442 63.200 -0.163 0.000 0.803 276 S HN 0.374 nan 8.310 nan 0.000 0.480 277 Y N 1.574 121.946 120.300 0.120 0.000 2.286 277 Y HA 0.315 4.868 4.550 0.005 0.000 0.293 277 Y C 2.224 178.158 175.900 0.057 0.000 1.124 277 Y CA -0.142 58.013 58.100 0.092 0.000 1.178 277 Y CB -0.765 37.739 38.460 0.073 0.000 1.010 277 Y HN 0.232 nan 8.280 nan 0.000 0.536 278 L N -0.359 120.982 121.223 0.197 0.000 2.291 278 L HA -0.092 4.251 4.340 0.005 0.000 0.214 278 L C 1.844 178.765 176.870 0.084 0.000 1.120 278 L CA 1.677 56.589 54.840 0.120 0.000 0.799 278 L CB -0.570 41.539 42.059 0.083 0.000 0.925 278 L HN 0.308 nan 8.230 nan 0.000 0.446 279 T N -5.598 109.004 114.554 0.081 0.000 3.105 279 T HA 0.072 4.425 4.350 0.005 0.000 0.253 279 T C 0.280 175.031 174.700 0.086 0.000 1.047 279 T CA -0.455 61.683 62.100 0.063 0.000 0.944 279 T CB -0.037 68.856 68.868 0.042 0.000 1.016 279 T HN -0.046 nan 8.240 nan 0.000 0.544 280 D N 0.767 121.235 120.400 0.113 0.000 2.198 280 D HA 0.603 5.246 4.640 0.005 0.000 0.245 280 D C 0.644 176.996 176.300 0.086 0.000 1.079 280 D CA 0.910 54.981 54.000 0.119 0.000 0.854 280 D CB 0.913 41.802 40.800 0.148 0.000 1.148 280 D HN 0.526 nan 8.370 nan 0.000 0.456 281 G N 3.108 111.951 108.800 0.072 0.000 2.298 281 G HA2 -0.021 3.942 3.960 0.005 0.000 0.309 281 G HA3 -0.021 3.942 3.960 0.005 0.000 0.309 281 G C -2.612 172.313 174.900 0.041 0.000 1.279 281 G CA -0.900 44.230 45.100 0.049 0.000 1.042 281 G HN 0.531 nan 8.290 nan 0.000 0.480 282 P HA 0.299 nan 4.420 nan 0.000 0.272 282 P C 0.747 178.058 177.300 0.019 0.000 1.230 282 P CA -0.246 62.867 63.100 0.021 0.000 0.788 282 P CB 0.277 31.987 31.700 0.016 0.000 0.949 283 N N 0.241 118.948 118.700 0.012 0.000 2.381 283 N HA -0.163 4.580 4.740 0.005 0.000 0.182 283 N C 1.114 176.627 175.510 0.006 0.000 1.025 283 N CA 0.594 53.648 53.050 0.006 0.000 0.888 283 N CB -0.108 38.379 38.487 -0.001 0.000 0.965 283 N HN 0.506 nan 8.380 nan 0.000 0.438 284 E N 0.679 120.884 120.200 0.008 0.000 2.110 284 E HA -0.081 4.272 4.350 0.005 0.000 0.193 284 E C 1.840 178.446 176.600 0.011 0.000 0.988 284 E CA 0.783 57.188 56.400 0.008 0.000 0.804 284 E CB 0.164 29.869 29.700 0.008 0.000 0.745 284 E HN 0.179 nan 8.360 nan 0.000 0.458 285 R N 0.256 120.766 120.500 0.016 0.000 2.073 285 R HA -0.042 4.301 4.340 0.005 0.000 0.234 285 R C 2.387 178.699 176.300 0.021 0.000 1.134 285 R CA 1.012 57.125 56.100 0.022 0.000 0.952 285 R CB -0.870 29.449 30.300 0.031 0.000 0.850 285 R HN 0.303 nan 8.270 nan 0.000 0.433 286 I N 0.819 121.400 120.570 0.019 0.000 2.208 286 I HA -0.278 3.895 4.170 0.005 0.000 0.245 286 I C 2.393 178.513 176.117 0.006 0.000 1.097 286 I CA 1.478 62.785 61.300 0.012 0.000 1.363 286 I CB -0.298 37.706 38.000 0.007 0.000 1.051 286 I HN 0.126 nan 8.210 nan 0.000 0.413 287 E N 1.631 121.833 120.200 0.004 0.000 2.110 287 E HA -0.243 4.110 4.350 0.005 0.000 0.193 287 E C 2.239 178.841 176.600 0.004 0.000 0.988 287 E CA 1.678 58.078 56.400 0.001 0.000 0.804 287 E CB -0.289 29.411 29.700 0.000 0.000 0.745 287 E HN 0.557 nan 8.360 nan 0.000 0.458 288 M N -1.467 118.138 119.600 0.008 0.000 2.229 288 M HA -0.057 4.426 4.480 0.005 0.000 0.264 288 M C 1.821 178.127 176.300 0.010 0.000 1.063 288 M CA 1.290 56.596 55.300 0.009 0.000 1.114 288 M CB -0.248 32.358 32.600 0.012 0.000 1.387 288 M HN -0.034 nan 8.290 nan 0.000 0.420 289 V N 0.888 120.809 119.914 0.011 0.000 2.255 289 V HA -0.168 3.955 4.120 0.005 0.000 0.243 289 V C 2.668 178.765 176.094 0.005 0.000 1.038 289 V CA 1.591 63.897 62.300 0.010 0.000 1.008 289 V CB -0.645 31.183 31.823 0.009 0.000 0.645 289 V HN 0.381 nan 8.190 nan 0.000 0.449 290 V N -0.004 119.910 119.914 0.001 0.000 2.317 290 V HA -0.378 3.745 4.120 0.005 0.000 0.251 290 V C 2.474 178.567 176.094 -0.000 0.000 1.065 290 V CA 2.331 64.628 62.300 -0.003 0.000 1.049 290 V CB -0.807 31.010 31.823 -0.009 0.000 0.651 290 V HN 0.543 nan 8.190 nan 0.000 0.450 291 K N -0.425 119.975 120.400 0.001 0.000 2.211 291 K HA -0.164 4.159 4.320 0.005 0.000 0.204 291 K C 1.955 178.559 176.600 0.005 0.000 1.047 291 K CA 0.871 57.159 56.287 0.002 0.000 0.935 291 K CB -0.148 32.354 32.500 0.002 0.000 0.728 291 K HN 0.298 nan 8.250 nan 0.000 0.452 292 K N -0.290 120.115 120.400 0.009 0.000 2.555 292 K HA -0.029 4.293 4.320 0.005 0.000 0.193 292 K C 1.017 177.628 176.600 0.018 0.000 1.032 292 K CA 0.867 57.161 56.287 0.013 0.000 1.004 292 K CB 0.060 32.570 32.500 0.017 0.000 0.804 292 K HN 0.431 nan 8.250 nan 0.000 0.496 293 G N 1.204 110.013 108.800 0.015 0.000 2.143 293 G HA2 -0.291 3.672 3.960 0.005 0.000 0.248 293 G HA3 -0.291 3.672 3.960 0.005 0.000 0.248 293 G C 0.799 175.718 174.900 0.030 0.000 0.991 293 G CA 0.545 45.656 45.100 0.019 0.000 0.689 293 G HN 0.265 nan 8.290 nan 0.000 0.522 294 V N -2.403 117.526 119.914 0.025 0.000 3.217 294 V HA 0.106 4.228 4.120 0.005 0.000 0.264 294 V C 2.411 178.502 176.094 -0.006 0.000 1.135 294 V CA 1.626 63.940 62.300 0.023 0.000 1.142 294 V CB -0.198 31.633 31.823 0.013 0.000 0.754 294 V HN 0.331 nan 8.190 nan 0.000 0.484 295 V N 1.158 121.066 119.914 -0.010 0.000 2.282 295 V HA -0.148 3.975 4.120 0.005 0.000 0.249 295 V C 0.574 176.651 176.094 -0.027 0.000 1.057 295 V CA 3.039 65.325 62.300 -0.023 0.000 1.032 295 V CB -1.827 29.983 31.823 -0.022 0.000 0.645 295 V HN 0.530 nan 8.190 nan 0.000 0.447 296 P HA -0.180 nan 4.420 nan 0.000 0.216 296 P C 1.706 178.982 177.300 -0.039 0.000 1.150 296 P CA 1.332 64.421 63.100 -0.019 0.000 0.837 296 P CB 0.008 31.708 31.700 -0.000 0.000 0.786 297 Q N -0.265 119.503 119.800 -0.054 0.000 2.079 297 Q HA -0.112 4.231 4.340 0.005 0.000 0.200 297 Q C 2.018 177.942 176.000 -0.126 0.000 0.974 297 Q CA 1.458 57.181 55.803 -0.133 0.000 0.840 297 Q CB -1.217 27.373 28.738 -0.246 0.000 0.898 297 Q HN 0.153 nan 8.270 nan 0.000 0.430 298 L N -0.855 120.311 121.223 -0.095 0.000 2.042 298 L HA -0.200 4.143 4.340 0.005 0.000 0.210 298 L C 2.244 179.062 176.870 -0.086 0.000 1.076 298 L CA 1.113 55.896 54.840 -0.095 0.000 0.749 298 L CB -0.565 41.447 42.059 -0.078 0.000 0.893 298 L HN 0.137 nan 8.230 nan 0.000 0.432 299 V N -0.049 119.827 119.914 -0.063 0.000 2.407 299 V HA -0.301 3.822 4.120 0.005 0.000 0.248 299 V C 2.520 178.577 176.094 -0.060 0.000 1.055 299 V CA 1.915 64.185 62.300 -0.050 0.000 1.049 299 V CB -0.595 31.210 31.823 -0.030 0.000 0.662 299 V HN 0.461 nan 8.190 nan 0.000 0.455 300 K N 0.124 120.484 120.400 -0.067 0.000 2.097 300 K HA -0.142 4.181 4.320 0.005 0.000 0.206 300 K C 2.026 178.575 176.600 -0.085 0.000 1.049 300 K CA 1.499 57.744 56.287 -0.070 0.000 0.933 300 K CB -0.173 32.282 32.500 -0.075 0.000 0.717 300 K HN 0.430 nan 8.250 nan 0.000 0.442 301 L N 0.725 121.887 121.223 -0.102 0.000 2.240 301 L HA -0.096 4.247 4.340 0.005 0.000 0.211 301 L C 2.268 179.070 176.870 -0.113 0.000 1.106 301 L CA 0.031 54.805 54.840 -0.111 0.000 0.793 301 L CB -0.272 41.710 42.059 -0.129 0.000 0.927 301 L HN 0.191 nan 8.230 nan 0.000 0.446 302 L N 0.343 121.499 121.223 -0.112 0.000 2.191 302 L HA -0.082 4.261 4.340 0.005 0.000 0.212 302 L C 2.070 178.866 176.870 -0.125 0.000 1.103 302 L CA 1.693 56.457 54.840 -0.126 0.000 0.769 302 L CB -0.673 41.319 42.059 -0.111 0.000 0.908 302 L HN 0.144 nan 8.230 nan 0.000 0.438 303 G N -1.493 107.248 108.800 -0.098 0.000 3.141 303 G HA2 0.332 4.295 3.960 0.005 0.000 0.218 303 G HA3 0.332 4.295 3.960 0.005 0.000 0.218 303 G C 0.661 175.515 174.900 -0.076 0.000 1.170 303 G CA 0.291 45.340 45.100 -0.086 0.000 0.769 303 G HN 0.555 nan 8.290 nan 0.000 0.546 304 A N 0.147 122.919 122.820 -0.080 0.000 2.386 304 A HA 0.463 4.786 4.320 0.005 0.000 0.246 304 A C 1.787 179.335 177.584 -0.060 0.000 1.089 304 A CA 0.812 52.809 52.037 -0.067 0.000 0.790 304 A CB 0.314 19.272 19.000 -0.071 0.000 1.042 304 A HN 0.438 nan 8.150 nan 0.000 0.497 305 T N -1.606 112.920 114.554 -0.047 0.000 3.057 305 T HA 0.128 4.481 4.350 0.005 0.000 0.254 305 T C 0.169 174.848 174.700 -0.035 0.000 1.094 305 T CA 0.669 62.745 62.100 -0.039 0.000 1.088 305 T CB -0.225 68.625 68.868 -0.029 0.000 0.934 305 T HN 0.586 nan 8.240 nan 0.000 0.497 306 E N 1.503 121.682 120.200 -0.036 0.000 2.104 306 E HA 0.331 4.684 4.350 0.005 0.000 0.278 306 E C 1.043 177.624 176.600 -0.032 0.000 1.127 306 E CA -0.235 56.149 56.400 -0.027 0.000 0.897 306 E CB 1.062 30.749 29.700 -0.022 0.000 1.043 306 E HN 0.288 nan 8.360 nan 0.000 0.410 307 L N 5.855 127.065 121.223 -0.022 0.000 2.129 307 L HA -0.110 4.233 4.340 0.005 0.000 0.212 307 L C -0.946 175.919 176.870 -0.007 0.000 1.087 307 L CA 1.350 56.178 54.840 -0.020 0.000 0.757 307 L CB -0.247 41.807 42.059 -0.007 0.000 0.896 307 L HN 0.495 nan 8.230 nan 0.000 0.434 308 P HA -0.063 nan 4.420 nan 0.000 0.229 308 P C 1.503 178.807 177.300 0.006 0.000 1.160 308 P CA 1.234 64.370 63.100 0.059 0.000 0.777 308 P CB 0.090 31.838 31.700 0.081 0.000 0.814 309 I N -1.663 118.880 120.570 -0.045 0.000 2.400 309 I HA -0.115 4.058 4.170 0.005 0.000 0.248 309 I C 2.107 178.125 176.117 -0.165 0.000 1.109 309 I CA 0.786 62.023 61.300 -0.106 0.000 1.425 309 I CB -0.600 37.350 38.000 -0.084 0.000 1.094 309 I HN -0.234 nan 8.210 nan 0.000 0.425 310 V N 0.790 120.626 119.914 -0.130 0.000 2.407 310 V HA -0.269 3.853 4.120 0.005 0.000 0.248 310 V C 2.519 178.501 176.094 -0.188 0.000 1.055 310 V CA 2.402 64.613 62.300 -0.148 0.000 1.049 310 V CB -0.990 30.762 31.823 -0.119 0.000 0.662 310 V HN 0.464 nan 8.190 nan 0.000 0.455 311 T N 1.084 115.532 114.554 -0.176 0.000 2.622 311 T HA -0.109 4.243 4.350 0.005 0.000 0.266 311 T C 0.097 174.516 174.700 -0.468 0.000 1.047 311 T CA 2.151 64.130 62.100 -0.202 0.000 1.159 311 T CB -1.326 67.521 68.868 -0.036 0.000 0.863 311 T HN 0.515 nan 8.240 nan 0.000 0.422 312 P HA 0.150 nan 4.420 nan 0.000 0.225 312 P C 1.325 178.252 177.300 -0.622 0.000 1.156 312 P CA 0.985 63.329 63.100 -1.260 0.000 0.787 312 P CB -0.091 30.367 31.700 -2.070 0.000 0.802 313 A N 0.464 123.033 122.820 -0.419 0.000 1.902 313 A HA -0.160 4.163 4.320 0.005 0.000 0.217 313 A C 2.213 179.684 177.584 -0.188 0.000 1.181 313 A CA 1.408 53.290 52.037 -0.259 0.000 0.623 313 A CB -1.635 17.245 19.000 -0.199 0.000 0.818 313 A HN 0.163 nan 8.150 nan 0.000 0.443 314 L N -0.127 120.988 121.223 -0.180 0.000 2.017 314 L HA -0.135 4.207 4.340 0.005 0.000 0.208 314 L C 2.421 179.281 176.870 -0.018 0.000 1.073 314 L CA 2.535 57.318 54.840 -0.097 0.000 0.745 314 L CB -0.746 41.250 42.059 -0.105 0.000 0.894 314 L HN 0.443 nan 8.230 nan 0.000 0.432 315 R N -0.062 120.393 120.500 -0.074 0.000 2.096 315 R HA -0.153 4.190 4.340 0.005 0.000 0.240 315 R C 2.144 178.474 176.300 0.051 0.000 1.139 315 R CA 1.872 57.989 56.100 0.028 0.000 0.952 315 R CB -0.838 29.411 30.300 -0.085 0.000 0.854 315 R HN 0.498 nan 8.270 nan 0.000 0.436 316 A N 0.721 123.500 122.820 -0.068 0.000 1.858 316 A HA -0.105 4.218 4.320 0.005 0.000 0.216 316 A C 2.121 179.697 177.584 -0.014 0.000 1.190 316 A CA 1.530 53.539 52.037 -0.048 0.000 0.617 316 A CB -0.558 18.372 19.000 -0.116 0.000 0.827 316 A HN 0.308 nan 8.150 nan 0.000 0.443 317 I N 0.201 120.755 120.570 -0.027 0.000 2.151 317 I HA -0.235 3.938 4.170 0.005 0.000 0.243 317 I C 2.717 178.814 176.117 -0.035 0.000 1.080 317 I CA 1.684 62.972 61.300 -0.020 0.000 1.339 317 I CB -2.013 35.992 38.000 0.007 0.000 1.039 317 I HN 0.364 nan 8.210 nan 0.000 0.409 318 G N 1.093 109.894 108.800 0.001 0.000 2.446 318 G HA2 -0.291 3.671 3.960 0.005 0.000 0.217 318 G HA3 -0.291 3.671 3.960 0.005 0.000 0.217 318 G C 1.497 176.262 174.900 -0.224 0.000 1.168 318 G CA 0.795 45.792 45.100 -0.172 0.000 0.771 318 G HN 0.344 nan 8.290 nan 0.000 0.551 319 N N 0.768 119.532 118.700 0.108 0.000 2.104 319 N HA -0.076 4.667 4.740 0.005 0.000 0.190 319 N C 2.215 177.728 175.510 0.005 0.000 1.024 319 N CA 0.911 54.045 53.050 0.139 0.000 0.853 319 N CB -0.320 38.263 38.487 0.160 0.000 1.008 319 N HN 0.398 nan 8.380 nan 0.000 0.424 320 I N 0.642 121.196 120.570 -0.028 0.000 2.286 320 I HA -0.184 3.989 4.170 0.005 0.000 0.248 320 I C 1.993 178.058 176.117 -0.087 0.000 1.115 320 I CA 0.853 62.126 61.300 -0.046 0.000 1.392 320 I CB -0.297 37.678 38.000 -0.041 0.000 1.065 320 I HN 0.022 nan 8.210 nan 0.000 0.418 321 V N -1.562 118.264 119.914 -0.147 0.000 3.380 321 V HA -0.064 4.059 4.120 0.005 0.000 0.268 321 V C 2.147 178.119 176.094 -0.203 0.000 1.168 321 V CA 1.472 63.660 62.300 -0.187 0.000 1.156 321 V CB -1.375 30.307 31.823 -0.234 0.000 0.785 321 V HN 0.551 nan 8.190 nan 0.000 0.487 322 T N -2.507 111.937 114.554 -0.183 0.000 3.160 322 T HA 0.307 4.660 4.350 0.005 0.000 0.257 322 T C 1.184 175.846 174.700 -0.064 0.000 1.147 322 T CA 0.678 62.705 62.100 -0.121 0.000 1.064 322 T CB -0.251 68.597 68.868 -0.033 0.000 0.949 322 T HN 0.696 nan 8.240 nan 0.000 0.526 323 G N 1.761 110.525 108.800 -0.060 0.000 2.975 323 G HA2 0.467 4.430 3.960 0.005 0.000 0.159 323 G HA3 0.467 4.430 3.960 0.005 0.000 0.159 323 G C 0.201 175.077 174.900 -0.041 0.000 1.525 323 G CA 0.016 45.094 45.100 -0.036 0.000 1.075 323 G HN 0.577 nan 8.290 nan 0.000 0.574 324 T N -1.632 112.901 114.554 -0.034 0.000 2.874 324 T HA 0.249 4.602 4.350 0.005 0.000 0.281 324 T C 0.730 175.405 174.700 -0.042 0.000 0.994 324 T CA 0.124 62.204 62.100 -0.033 0.000 1.015 324 T CB 1.269 70.123 68.868 -0.024 0.000 1.028 324 T HN 0.299 nan 8.240 nan 0.000 0.523 325 D N 0.950 121.326 120.400 -0.040 0.000 2.158 325 D HA -0.127 4.516 4.640 0.005 0.000 0.197 325 D C 1.780 178.054 176.300 -0.043 0.000 0.995 325 D CA 1.424 55.397 54.000 -0.045 0.000 0.846 325 D CB -0.156 40.620 40.800 -0.040 0.000 0.941 325 D HN 0.715 nan 8.370 nan 0.000 0.456 326 E N 0.716 120.895 120.200 -0.035 0.000 2.106 326 E HA -0.127 4.226 4.350 0.005 0.000 0.192 326 E C 2.199 178.779 176.600 -0.033 0.000 0.984 326 E CA 0.732 57.113 56.400 -0.031 0.000 0.806 326 E CB -0.161 29.525 29.700 -0.024 0.000 0.750 326 E HN 0.382 nan 8.360 nan 0.000 0.458 327 Q N -0.302 119.476 119.800 -0.035 0.000 2.079 327 Q HA -0.083 4.259 4.340 0.005 0.000 0.200 327 Q C 2.123 178.093 176.000 -0.051 0.000 0.974 327 Q CA 1.740 57.520 55.803 -0.037 0.000 0.840 327 Q CB -0.095 28.622 28.738 -0.034 0.000 0.898 327 Q HN 0.238 nan 8.270 nan 0.000 0.430 328 T N 0.797 115.313 114.554 -0.063 0.000 2.665 328 T HA -0.253 4.100 4.350 0.005 0.000 0.268 328 T C 1.748 176.402 174.700 -0.077 0.000 1.035 328 T CA 1.664 63.714 62.100 -0.083 0.000 1.151 328 T CB -0.255 68.556 68.868 -0.094 0.000 0.862 328 T HN 0.174 nan 8.240 nan 0.000 0.438 329 Q N 0.976 120.739 119.800 -0.061 0.000 2.170 329 Q HA -0.075 4.268 4.340 0.005 0.000 0.203 329 Q C 2.167 178.140 176.000 -0.045 0.000 0.976 329 Q CA 1.334 57.106 55.803 -0.052 0.000 0.858 329 Q CB -0.149 28.564 28.738 -0.041 0.000 0.907 329 Q HN 0.212 nan 8.270 nan 0.000 0.433 330 K N -0.287 120.088 120.400 -0.041 0.000 2.063 330 K HA -0.119 4.204 4.320 0.005 0.000 0.208 330 K C 2.043 178.620 176.600 -0.040 0.000 1.048 330 K CA 1.522 57.789 56.287 -0.034 0.000 0.928 330 K CB -1.041 31.442 32.500 -0.029 0.000 0.713 330 K HN 0.386 nan 8.250 nan 0.000 0.442 331 V N -0.479 119.403 119.914 -0.054 0.000 2.591 331 V HA -0.105 4.018 4.120 0.005 0.000 0.249 331 V C 2.079 178.130 176.094 -0.072 0.000 1.053 331 V CA 0.953 63.217 62.300 -0.059 0.000 1.068 331 V CB -0.358 31.426 31.823 -0.065 0.000 0.689 331 V HN 0.136 nan 8.190 nan 0.000 0.462 332 I N 0.919 121.439 120.570 -0.083 0.000 2.179 332 I HA -0.186 3.987 4.170 0.005 0.000 0.242 332 I C 2.439 178.530 176.117 -0.044 0.000 1.088 332 I CA 2.155 63.404 61.300 -0.085 0.000 1.357 332 I CB -0.638 37.316 38.000 -0.077 0.000 1.051 332 I HN 0.284 nan 8.210 nan 0.000 0.409 333 D N 1.038 121.420 120.400 -0.031 0.000 2.178 333 D HA -0.127 4.515 4.640 0.005 0.000 0.201 333 D C 2.075 178.369 176.300 -0.010 0.000 0.980 333 D CA 1.468 55.460 54.000 -0.013 0.000 0.842 333 D CB -0.126 40.665 40.800 -0.015 0.000 0.948 333 D HN 0.366 nan 8.370 nan 0.000 0.472 334 A N -0.479 122.329 122.820 -0.019 0.000 2.238 334 A HA 0.391 4.714 4.320 0.005 0.000 0.208 334 A C 1.664 179.240 177.584 -0.013 0.000 1.177 334 A CA 1.080 53.108 52.037 -0.015 0.000 0.804 334 A CB -0.156 18.833 19.000 -0.019 0.000 0.823 334 A HN 0.256 nan 8.150 nan 0.000 0.482 335 G N -2.185 106.604 108.800 -0.019 0.000 2.130 335 G HA2 0.002 3.965 3.960 0.005 0.000 0.216 335 G HA3 0.002 3.965 3.960 0.005 0.000 0.216 335 G C 1.018 175.889 174.900 -0.048 0.000 0.999 335 G CA 0.735 45.826 45.100 -0.016 0.000 0.686 335 G HN 1.298 nan 8.290 nan 0.000 0.515 336 A N -0.249 122.536 122.820 -0.057 0.000 1.972 336 A HA 0.231 4.553 4.320 0.005 0.000 0.219 336 A C 2.396 179.995 177.584 0.025 0.000 1.169 336 A CA 1.795 53.838 52.037 0.010 0.000 0.635 336 A CB -0.262 18.755 19.000 0.027 0.000 0.810 336 A HN 0.876 nan 8.150 nan 0.000 0.446 337 L N -0.938 120.130 121.223 -0.259 0.000 2.201 337 L HA -0.134 4.209 4.340 0.005 0.000 0.212 337 L C 2.885 179.589 176.870 -0.276 0.000 1.105 337 L CA 0.739 55.315 54.840 -0.439 0.000 0.775 337 L CB -0.458 41.092 42.059 -0.848 0.000 0.913 337 L HN 0.422 nan 8.230 nan 0.000 0.440 338 A N -0.379 122.316 122.820 -0.208 0.000 2.125 338 A HA -0.068 4.254 4.320 0.005 0.000 0.219 338 A C 2.073 179.667 177.584 0.016 0.000 1.156 338 A CA 1.214 53.254 52.037 0.006 0.000 0.671 338 A CB -0.426 18.616 19.000 0.071 0.000 0.794 338 A HN 0.267 nan 8.150 nan 0.000 0.459 339 V N -1.983 117.955 119.914 0.040 0.000 3.506 339 V HA 0.001 4.124 4.120 0.005 0.000 0.263 339 V C 1.807 177.817 176.094 -0.139 0.000 1.203 339 V CA 0.514 62.781 62.300 -0.055 0.000 1.133 339 V CB -0.957 30.802 31.823 -0.106 0.000 0.802 339 V HN 0.491 nan 8.190 nan 0.000 0.459 340 F N 0.791 120.625 119.950 -0.193 0.000 2.234 340 F HA 0.012 4.541 4.527 0.003 0.000 0.299 340 F C 0.075 175.657 175.800 -0.363 0.000 1.087 340 F CA 1.069 58.936 58.000 -0.222 0.000 1.340 340 F CB -1.889 36.998 39.000 -0.188 0.000 1.031 340 F HN 0.288 nan 8.300 nan 0.000 0.500 341 P HA -0.222 nan 4.420 nan 0.000 0.216 341 P C 1.865 178.901 177.300 -0.440 0.000 1.157 341 P CA 2.582 65.155 63.100 -0.878 0.000 0.880 341 P CB -0.214 31.126 31.700 -0.600 0.000 0.791 342 S N -1.248 114.306 115.700 -0.243 0.000 2.387 342 S HA -0.068 4.405 4.470 0.005 0.000 0.226 342 S C 1.956 176.459 174.600 -0.162 0.000 1.026 342 S CA 0.909 59.020 58.200 -0.147 0.000 0.972 342 S CB -1.584 61.550 63.200 -0.110 0.000 0.814 342 S HN 0.053 nan 8.310 nan 0.000 0.477 343 L N 0.743 121.809 121.223 -0.262 0.000 2.056 343 L HA 0.052 4.395 4.340 0.005 0.000 0.207 343 L C 2.498 179.272 176.870 -0.160 0.000 1.078 343 L CA 1.065 55.732 54.840 -0.288 0.000 0.749 343 L CB -0.657 41.044 42.059 -0.595 0.000 0.901 343 L HN 0.294 nan 8.230 nan 0.000 0.433 344 L N -0.392 120.761 121.223 -0.118 0.000 2.376 344 L HA -0.091 4.252 4.340 0.005 0.000 0.219 344 L C 1.828 178.750 176.870 0.087 0.000 1.133 344 L CA 1.250 56.105 54.840 0.025 0.000 0.816 344 L CB -0.598 41.519 42.059 0.096 0.000 0.933 344 L HN 0.430 nan 8.230 nan 0.000 0.449 345 T N -5.460 109.130 114.554 0.061 0.000 3.182 345 T HA 0.115 4.468 4.350 0.005 0.000 0.277 345 T C 0.403 175.127 174.700 0.040 0.000 1.013 345 T CA -0.503 61.655 62.100 0.096 0.000 0.900 345 T CB -0.485 68.484 68.868 0.168 0.000 1.098 345 T HN 0.055 nan 8.240 nan 0.000 0.543 346 N N 2.796 121.499 118.700 0.004 0.000 2.454 346 N HA 0.181 4.924 4.740 0.005 0.000 0.260 346 N C -1.628 173.886 175.510 0.008 0.000 1.218 346 N CA -1.454 51.590 53.050 -0.010 0.000 0.904 346 N CB 1.046 39.509 38.487 -0.040 0.000 1.065 346 N HN -0.055 nan 8.380 nan 0.000 0.462 347 P HA -0.164 nan 4.420 nan 0.000 0.220 347 P C -0.628 176.681 177.300 0.015 0.000 1.148 347 P CA 1.158 64.267 63.100 0.015 0.000 0.803 347 P CB 0.146 31.852 31.700 0.011 0.000 0.782 348 K N 0.494 120.899 120.400 0.009 0.000 2.316 348 K HA 0.113 4.436 4.320 0.005 0.000 0.289 348 K C 1.285 177.896 176.600 0.018 0.000 1.070 348 K CA 0.090 56.385 56.287 0.014 0.000 0.928 348 K CB 0.342 32.848 32.500 0.010 0.000 1.039 348 K HN -0.125 nan 8.250 nan 0.000 0.480 349 T N 1.954 116.524 114.554 0.026 0.000 2.881 349 T HA -0.185 4.168 4.350 0.005 0.000 0.270 349 T C 1.514 176.233 174.700 0.032 0.000 1.068 349 T CA 1.911 64.030 62.100 0.032 0.000 1.131 349 T CB -0.272 68.619 68.868 0.038 0.000 0.871 349 T HN 0.813 nan 8.240 nan 0.000 0.479 350 N N 0.845 119.563 118.700 0.030 0.000 2.142 350 N HA -0.044 4.699 4.740 0.005 0.000 0.186 350 N C 1.884 177.410 175.510 0.028 0.000 1.023 350 N CA 1.551 54.620 53.050 0.031 0.000 0.852 350 N CB -0.389 38.122 38.487 0.039 0.000 0.998 350 N HN 0.402 nan 8.380 nan 0.000 0.424 351 I N 0.731 121.309 120.570 0.013 0.000 2.163 351 I HA -0.268 3.905 4.170 0.005 0.000 0.243 351 I C 2.220 178.336 176.117 -0.003 0.000 1.085 351 I CA 1.403 62.696 61.300 -0.012 0.000 1.347 351 I CB -1.324 36.651 38.000 -0.041 0.000 1.044 351 I HN 0.435 nan 8.210 nan 0.000 0.408 352 Q N 0.507 120.315 119.800 0.012 0.000 2.061 352 Q HA -0.235 4.107 4.340 0.005 0.000 0.204 352 Q C 2.390 178.431 176.000 0.069 0.000 0.984 352 Q CA 1.576 57.401 55.803 0.035 0.000 0.846 352 Q CB -0.120 28.645 28.738 0.043 0.000 0.902 352 Q HN 0.368 nan 8.270 nan 0.000 0.421 353 K N 0.620 121.059 120.400 0.065 0.000 2.009 353 K HA -0.206 4.116 4.320 0.005 0.000 0.210 353 K C 1.833 178.518 176.600 0.143 0.000 1.049 353 K CA 1.414 57.750 56.287 0.081 0.000 0.929 353 K CB 0.054 32.580 32.500 0.044 0.000 0.714 353 K HN 0.222 nan 8.250 nan 0.000 0.440 354 E N -0.116 120.167 120.200 0.138 0.000 2.106 354 E HA -0.143 4.210 4.350 0.005 0.000 0.192 354 E C 1.953 178.737 176.600 0.307 0.000 0.984 354 E CA 0.935 57.488 56.400 0.255 0.000 0.806 354 E CB -0.098 29.706 29.700 0.173 0.000 0.750 354 E HN 0.366 nan 8.360 nan 0.000 0.458 355 A N 1.126 124.047 122.820 0.170 0.000 1.933 355 A HA -0.135 4.188 4.320 0.005 0.000 0.218 355 A C 2.406 180.176 177.584 0.311 0.000 1.175 355 A CA 1.849 54.003 52.037 0.195 0.000 0.628 355 A CB -0.719 18.256 19.000 -0.041 0.000 0.814 355 A HN 0.187 nan 8.150 nan 0.000 0.444 356 T N -1.701 112.992 114.554 0.231 0.000 2.812 356 T HA -0.160 4.193 4.350 0.005 0.000 0.264 356 T C 1.470 176.303 174.700 0.221 0.000 1.042 356 T CA 1.280 63.504 62.100 0.207 0.000 1.140 356 T CB -0.345 68.621 68.868 0.163 0.000 0.870 356 T HN 0.756 nan 8.240 nan 0.000 0.445 357 W N 2.356 123.696 121.300 0.067 0.000 2.318 357 W HA -0.219 4.444 4.660 0.005 0.000 0.313 357 W C 2.133 178.673 176.519 0.036 0.000 1.221 357 W CA 1.766 59.130 57.345 0.032 0.000 1.266 357 W CB -0.994 28.470 29.460 0.006 0.000 1.150 357 W HN 0.105 nan 8.180 nan 0.000 0.496 358 T N 1.295 115.790 114.554 -0.099 0.000 2.777 358 T HA -0.213 4.140 4.350 0.005 0.000 0.266 358 T C 1.890 176.444 174.700 -0.242 0.000 1.040 358 T CA 1.946 63.850 62.100 -0.326 0.000 1.141 358 T CB -0.422 68.453 68.868 0.012 0.000 0.868 358 T HN 0.032 nan 8.240 nan 0.000 0.444 359 M N 2.017 121.566 119.600 -0.084 0.000 2.149 359 M HA -0.076 4.407 4.480 0.005 0.000 0.261 359 M C 2.733 178.988 176.300 -0.076 0.000 1.064 359 M CA 1.531 56.758 55.300 -0.120 0.000 1.102 359 M CB -1.620 30.976 32.600 -0.006 0.000 1.369 359 M HN 0.432 nan 8.290 nan 0.000 0.408 360 S N 0.411 116.086 115.700 -0.041 0.000 2.419 360 S HA -0.112 4.360 4.470 0.005 0.000 0.233 360 S C 1.594 176.148 174.600 -0.077 0.000 1.016 360 S CA 1.256 59.460 58.200 0.007 0.000 0.974 360 S CB -0.423 62.836 63.200 0.098 0.000 0.786 360 S HN 0.455 nan 8.310 nan 0.000 0.492 361 N N 1.269 119.832 118.700 -0.229 0.000 2.415 361 N HA 0.269 5.012 4.740 0.005 0.000 0.176 361 N C 1.594 176.991 175.510 -0.188 0.000 1.042 361 N CA 0.827 53.727 53.050 -0.250 0.000 0.902 361 N CB -0.248 37.987 38.487 -0.419 0.000 0.986 361 N HN 0.498 nan 8.380 nan 0.000 0.447 362 I N 0.770 121.227 120.570 -0.189 0.000 2.406 362 I HA -0.150 4.023 4.170 0.005 0.000 0.249 362 I C 2.001 178.062 176.117 -0.094 0.000 1.122 362 I CA 1.131 62.336 61.300 -0.159 0.000 1.431 362 I CB -0.386 37.486 38.000 -0.213 0.000 1.087 362 I HN 0.133 nan 8.210 nan 0.000 0.424 363 T N -1.328 113.201 114.554 -0.042 0.000 3.160 363 T HA 0.165 4.518 4.350 0.005 0.000 0.257 363 T C 1.578 176.282 174.700 0.007 0.000 1.147 363 T CA 0.587 62.695 62.100 0.014 0.000 1.064 363 T CB -0.019 68.936 68.868 0.145 0.000 0.949 363 T HN 0.286 nan 8.240 nan 0.000 0.526 364 A N 0.869 123.682 122.820 -0.013 0.000 2.238 364 A HA 0.610 4.933 4.320 0.005 0.000 0.208 364 A C 1.492 179.054 177.584 -0.036 0.000 1.177 364 A CA 0.142 52.174 52.037 -0.009 0.000 0.804 364 A CB -0.795 18.195 19.000 -0.018 0.000 0.823 364 A HN 0.623 nan 8.150 nan 0.000 0.482 365 G N -0.365 108.400 108.800 -0.058 0.000 2.494 365 G HA2 0.400 4.363 3.960 0.005 0.000 0.270 365 G HA3 0.400 4.363 3.960 0.005 0.000 0.270 365 G C 0.141 175.003 174.900 -0.064 0.000 1.423 365 G CA -0.880 44.181 45.100 -0.065 0.000 1.055 365 G HN 0.495 nan 8.290 nan 0.000 0.536 366 R N -0.518 119.944 120.500 -0.064 0.000 2.679 366 R HA 0.097 4.440 4.340 0.005 0.000 0.269 366 R C 1.756 178.006 176.300 -0.082 0.000 1.076 366 R CA -0.139 55.924 56.100 -0.063 0.000 1.160 366 R CB 0.578 30.846 30.300 -0.054 0.000 1.054 366 R HN 0.612 nan 8.270 nan 0.000 0.507 367 Q N 1.161 120.911 119.800 -0.083 0.000 2.152 367 Q HA -0.244 4.098 4.340 0.005 0.000 0.206 367 Q C 1.155 177.098 176.000 -0.095 0.000 0.985 367 Q CA 2.358 58.099 55.803 -0.103 0.000 0.863 367 Q CB -0.158 28.529 28.738 -0.086 0.000 0.904 367 Q HN 0.714 nan 8.270 nan 0.000 0.422 368 D N -0.439 119.917 120.400 -0.072 0.000 2.312 368 D HA -0.158 4.485 4.640 0.005 0.000 0.211 368 D C 1.549 177.812 176.300 -0.061 0.000 0.964 368 D CA 0.705 54.668 54.000 -0.062 0.000 0.877 368 D CB -0.021 40.750 40.800 -0.049 0.000 0.924 368 D HN 0.257 nan 8.370 nan 0.000 0.515 369 Q N 0.077 119.836 119.800 -0.070 0.000 2.123 369 Q HA 0.103 4.445 4.340 0.005 0.000 0.196 369 Q C 2.262 178.217 176.000 -0.076 0.000 0.958 369 Q CA 0.469 56.230 55.803 -0.070 0.000 0.841 369 Q CB 0.028 28.720 28.738 -0.077 0.000 0.915 369 Q HN 0.352 nan 8.270 nan 0.000 0.455 370 I N 1.035 121.541 120.570 -0.107 0.000 2.236 370 I HA -0.345 3.828 4.170 0.005 0.000 0.249 370 I C 2.496 178.560 176.117 -0.088 0.000 1.102 370 I CA 1.223 62.438 61.300 -0.143 0.000 1.365 370 I CB -0.169 37.642 38.000 -0.315 0.000 1.051 370 I HN 0.246 nan 8.210 nan 0.000 0.420 371 Q N 0.718 120.467 119.800 -0.085 0.000 2.119 371 Q HA -0.203 4.140 4.340 0.005 0.000 0.201 371 Q C 2.157 178.140 176.000 -0.028 0.000 0.972 371 Q CA 1.602 57.365 55.803 -0.067 0.000 0.847 371 Q CB -0.140 28.553 28.738 -0.074 0.000 0.903 371 Q HN 0.464 nan 8.270 nan 0.000 0.433 372 Q N -0.740 119.058 119.800 -0.004 0.000 2.167 372 Q HA -0.088 4.255 4.340 0.005 0.000 0.202 372 Q C 2.053 178.140 176.000 0.144 0.000 0.970 372 Q CA 1.463 57.309 55.803 0.071 0.000 0.855 372 Q CB 0.030 28.812 28.738 0.072 0.000 0.911 372 Q HN 0.312 nan 8.270 nan 0.000 0.438 373 V N 0.371 120.327 119.914 0.070 0.000 2.427 373 V HA -0.200 3.923 4.120 0.005 0.000 0.248 373 V C 2.396 178.584 176.094 0.157 0.000 1.051 373 V CA 1.241 63.597 62.300 0.093 0.000 1.048 373 V CB -0.539 31.337 31.823 0.089 0.000 0.666 373 V HN 0.106 nan 8.190 nan 0.000 0.456 374 V N 0.771 120.758 119.914 0.122 0.000 2.261 374 V HA -0.293 3.830 4.120 0.005 0.000 0.246 374 V C 2.120 178.222 176.094 0.014 0.000 1.047 374 V CA 2.556 64.901 62.300 0.076 0.000 1.015 374 V CB -1.039 30.737 31.823 -0.078 0.000 0.642 374 V HN 0.627 nan 8.190 nan 0.000 0.446 375 N N -0.619 118.066 118.700 -0.025 0.000 2.137 375 N HA -0.220 4.523 4.740 0.005 0.000 0.190 375 N C 1.616 177.069 175.510 -0.095 0.000 1.017 375 N CA 1.405 54.405 53.050 -0.084 0.000 0.859 375 N CB -0.225 38.180 38.487 -0.137 0.000 1.002 375 N HN 0.593 nan 8.380 nan 0.000 0.428 376 H N -0.769 118.315 119.070 0.023 0.000 2.547 376 H HA 0.159 4.718 4.556 0.005 0.000 0.266 376 H C 1.076 176.461 175.328 0.095 0.000 0.988 376 H CA 0.479 56.551 56.048 0.040 0.000 1.147 376 H CB 0.105 29.875 29.762 0.013 0.000 1.365 376 H HN 0.303 nan 8.280 nan 0.000 0.589 377 G N 0.570 109.493 108.800 0.206 0.000 2.176 377 G HA2 -0.279 3.683 3.960 0.005 0.000 0.252 377 G HA3 -0.279 3.683 3.960 0.005 0.000 0.252 377 G C 0.774 175.896 174.900 0.371 0.000 1.024 377 G CA 0.476 45.734 45.100 0.263 0.000 0.755 377 G HN 0.444 nan 8.290 nan 0.000 0.507 378 L N -0.656 120.763 121.223 0.327 0.000 2.529 378 L HA 0.121 4.464 4.340 0.005 0.000 0.223 378 L C 2.648 179.714 176.870 0.328 0.000 1.113 378 L CA 0.241 55.295 54.840 0.357 0.000 0.861 378 L CB 0.018 42.191 42.059 0.189 0.000 1.012 378 L HN 0.235 nan 8.230 nan 0.000 0.461 379 V N 0.852 120.931 119.914 0.275 0.000 2.358 379 V HA -0.115 4.008 4.120 0.005 0.000 0.246 379 V C -0.196 175.933 176.094 0.058 0.000 1.047 379 V CA 1.759 64.154 62.300 0.158 0.000 1.035 379 V CB -1.107 30.833 31.823 0.195 0.000 0.658 379 V HN 0.311 nan 8.190 nan 0.000 0.452 380 P HA -0.159 nan 4.420 nan 0.000 0.216 380 P C 1.522 178.726 177.300 -0.159 0.000 1.150 380 P CA 1.587 64.621 63.100 -0.110 0.000 0.843 380 P CB -0.125 31.475 31.700 -0.166 0.000 0.787 381 F N -1.334 118.638 119.950 0.037 0.000 2.171 381 F HA -0.129 4.400 4.527 0.002 0.000 0.300 381 F C 2.217 178.037 175.800 0.034 0.000 1.090 381 F CA 1.181 59.207 58.000 0.045 0.000 1.293 381 F CB -1.136 37.910 39.000 0.075 0.000 1.013 381 F HN -0.162 nan 8.300 nan 0.000 0.486 382 L N -1.031 120.301 121.223 0.182 0.000 2.109 382 L HA -0.149 4.194 4.340 0.005 0.000 0.207 382 L C 2.325 179.210 176.870 0.026 0.000 1.086 382 L CA 0.430 55.328 54.840 0.098 0.000 0.760 382 L CB -0.643 41.453 42.059 0.063 0.000 0.910 382 L HN -0.055 nan 8.230 nan 0.000 0.437 383 V N 0.252 120.152 119.914 -0.023 0.000 2.332 383 V HA -0.236 3.887 4.120 0.005 0.000 0.248 383 V C 2.577 178.646 176.094 -0.043 0.000 1.055 383 V CA 2.059 64.322 62.300 -0.062 0.000 1.038 383 V CB -1.257 30.501 31.823 -0.108 0.000 0.651 383 V HN 0.577 nan 8.190 nan 0.000 0.450 384 G N -0.799 107.978 108.800 -0.039 0.000 2.414 384 G HA2 -0.211 3.752 3.960 0.005 0.000 0.215 384 G HA3 -0.211 3.752 3.960 0.005 0.000 0.215 384 G C 1.787 176.699 174.900 0.020 0.000 1.188 384 G CA 1.029 46.111 45.100 -0.030 0.000 0.783 384 G HN 0.349 nan 8.290 nan 0.000 0.537 385 V N 0.329 120.280 119.914 0.061 0.000 2.407 385 V HA -0.093 4.030 4.120 0.005 0.000 0.248 385 V C 2.760 178.880 176.094 0.044 0.000 1.055 385 V CA 1.927 64.269 62.300 0.069 0.000 1.049 385 V CB -0.194 31.691 31.823 0.103 0.000 0.662 385 V HN 0.286 nan 8.190 nan 0.000 0.455 386 L N 0.145 121.384 121.223 0.028 0.000 2.083 386 L HA -0.113 4.230 4.340 0.005 0.000 0.209 386 L C 2.605 179.482 176.870 0.013 0.000 1.083 386 L CA 2.459 57.307 54.840 0.013 0.000 0.752 386 L CB -0.590 41.464 42.059 -0.008 0.000 0.899 386 L HN 0.408 nan 8.230 nan 0.000 0.433 387 S N -1.265 114.437 115.700 0.003 0.000 2.383 387 S HA -0.107 4.366 4.470 0.005 0.000 0.227 387 S C 0.905 175.517 174.600 0.020 0.000 1.026 387 S CA 1.043 59.245 58.200 0.002 0.000 0.981 387 S CB -0.067 63.124 63.200 -0.015 0.000 0.818 387 S HN 0.319 nan 8.310 nan 0.000 0.472 388 K N 0.118 120.535 120.400 0.028 0.000 2.739 388 K HA 0.558 4.881 4.320 0.005 0.000 0.288 388 K C -1.495 175.133 176.600 0.047 0.000 1.142 388 K CA -0.031 56.278 56.287 0.036 0.000 1.060 388 K CB 1.085 33.600 32.500 0.024 0.000 1.338 388 K HN 0.233 nan 8.250 nan 0.000 0.514 389 A N 1.971 124.827 122.820 0.059 0.000 2.581 389 A HA 0.380 4.703 4.320 0.005 0.000 0.290 389 A C -1.647 175.984 177.584 0.079 0.000 1.119 389 A CA -0.847 51.227 52.037 0.062 0.000 0.670 389 A CB 0.931 19.965 19.000 0.056 0.000 1.280 389 A HN 0.712 nan 8.150 nan 0.000 0.425 390 D N -0.091 120.354 120.400 0.076 0.000 2.423 390 D HA 0.016 4.658 4.640 0.005 0.000 0.238 390 D C 0.728 177.101 176.300 0.121 0.000 1.142 390 D CA -0.106 53.955 54.000 0.102 0.000 0.884 390 D CB 0.486 41.334 40.800 0.081 0.000 1.199 390 D HN 0.457 nan 8.370 nan 0.000 0.438 391 F N 3.351 123.324 119.950 0.039 0.000 2.154 391 F HA -0.176 4.354 4.527 0.005 0.000 0.301 391 F C 2.022 177.856 175.800 0.057 0.000 1.087 391 F CA 1.552 59.578 58.000 0.043 0.000 1.274 391 F CB -0.026 38.995 39.000 0.036 0.000 1.009 391 F HN 0.422 nan 8.300 nan 0.000 0.485 392 K N -0.825 119.500 120.400 -0.125 0.000 2.211 392 K HA -0.098 4.225 4.320 0.005 0.000 0.203 392 K C 1.894 178.422 176.600 -0.120 0.000 1.050 392 K CA 1.691 57.872 56.287 -0.176 0.000 0.945 392 K CB -0.625 31.864 32.500 -0.018 0.000 0.732 392 K HN 0.249 nan 8.250 nan 0.000 0.451 393 T N 1.852 116.376 114.554 -0.050 0.000 2.777 393 T HA -0.140 4.212 4.350 0.005 0.000 0.266 393 T C 1.872 176.557 174.700 -0.025 0.000 1.040 393 T CA 1.165 63.264 62.100 -0.001 0.000 1.141 393 T CB -0.108 68.781 68.868 0.035 0.000 0.868 393 T HN 0.287 nan 8.240 nan 0.000 0.444 394 Q N 0.653 120.402 119.800 -0.084 0.000 2.124 394 Q HA -0.111 4.232 4.340 0.005 0.000 0.202 394 Q C 2.348 178.261 176.000 -0.146 0.000 0.977 394 Q CA 1.252 57.002 55.803 -0.088 0.000 0.850 394 Q CB -0.176 28.530 28.738 -0.052 0.000 0.901 394 Q HN 0.437 nan 8.270 nan 0.000 0.429 395 K N 0.714 120.921 120.400 -0.322 0.000 2.097 395 K HA -0.180 4.143 4.320 0.005 0.000 0.206 395 K C 1.749 178.393 176.600 0.074 0.000 1.049 395 K CA 1.236 57.388 56.287 -0.226 0.000 0.933 395 K CB 0.218 32.495 32.500 -0.372 0.000 0.717 395 K HN 0.096 nan 8.250 nan 0.000 0.442 396 E N 0.009 120.272 120.200 0.105 0.000 2.208 396 E HA -0.119 4.234 4.350 0.005 0.000 0.193 396 E C 1.908 178.637 176.600 0.214 0.000 0.988 396 E CA 0.989 57.533 56.400 0.239 0.000 0.828 396 E CB -0.055 29.768 29.700 0.205 0.000 0.763 396 E HN 0.443 nan 8.360 nan 0.000 0.478 397 A N 1.641 124.530 122.820 0.116 0.000 1.929 397 A HA 0.042 4.365 4.320 0.005 0.000 0.216 397 A C 2.436 180.064 177.584 0.073 0.000 1.176 397 A CA 1.505 53.597 52.037 0.091 0.000 0.628 397 A CB -0.419 18.614 19.000 0.055 0.000 0.816 397 A HN 0.247 nan 8.150 nan 0.000 0.444 398 A N -0.965 121.876 122.820 0.035 0.000 1.883 398 A HA -0.198 4.124 4.320 0.005 0.000 0.217 398 A C 1.978 179.547 177.584 -0.025 0.000 1.186 398 A CA 1.470 53.483 52.037 -0.039 0.000 0.624 398 A CB -1.023 17.906 19.000 -0.119 0.000 0.822 398 A HN 0.738 nan 8.150 nan 0.000 0.444 399 W N -0.342 120.971 121.300 0.022 0.000 2.338 399 W HA -0.131 4.532 4.660 0.004 0.000 0.304 399 W C 2.798 179.344 176.519 0.044 0.000 1.212 399 W CA 1.651 59.020 57.345 0.040 0.000 1.264 399 W CB -0.204 29.292 29.460 0.059 0.000 1.142 399 W HN 0.414 nan 8.180 nan 0.000 0.512 400 A N -0.025 122.959 122.820 0.274 0.000 1.902 400 A HA -0.193 4.130 4.320 0.005 0.000 0.217 400 A C 1.844 179.523 177.584 0.158 0.000 1.181 400 A CA 1.695 53.843 52.037 0.186 0.000 0.623 400 A CB -0.779 18.302 19.000 0.135 0.000 0.818 400 A HN 0.145 nan 8.150 nan 0.000 0.443 401 I N 0.320 120.942 120.570 0.087 0.000 2.142 401 I HA -0.190 3.983 4.170 0.005 0.000 0.240 401 I C 2.565 178.733 176.117 0.085 0.000 1.078 401 I CA 2.103 63.421 61.300 0.030 0.000 1.343 401 I CB -2.079 35.898 38.000 -0.038 0.000 1.046 401 I HN 0.254 nan 8.210 nan 0.000 0.405 402 T N 1.876 116.466 114.554 0.060 0.000 2.665 402 T HA -0.181 4.172 4.350 0.005 0.000 0.268 402 T C 1.705 176.485 174.700 0.133 0.000 1.035 402 T CA 1.723 63.859 62.100 0.060 0.000 1.151 402 T CB -0.326 68.527 68.868 -0.026 0.000 0.862 402 T HN 0.294 nan 8.240 nan 0.000 0.438 403 N N 0.252 119.065 118.700 0.188 0.000 2.188 403 N HA -0.051 4.692 4.740 0.005 0.000 0.184 403 N C 1.559 177.167 175.510 0.164 0.000 1.018 403 N CA 0.848 54.003 53.050 0.175 0.000 0.858 403 N CB -0.551 38.040 38.487 0.174 0.000 0.989 403 N HN 0.471 nan 8.380 nan 0.000 0.426 404 Y N 2.182 122.513 120.300 0.051 0.000 2.163 404 Y HA -0.187 4.366 4.550 0.004 0.000 0.288 404 Y C 2.548 178.468 175.900 0.033 0.000 1.136 404 Y CA 2.072 60.194 58.100 0.038 0.000 1.147 404 Y CB -0.806 37.679 38.460 0.042 0.000 0.987 404 Y HN 0.172 nan 8.280 nan 0.000 0.509 405 T N -2.483 112.287 114.554 0.359 0.000 2.857 405 T HA -0.156 4.197 4.350 0.005 0.000 0.266 405 T C 2.194 176.964 174.700 0.116 0.000 1.048 405 T CA 1.341 63.580 62.100 0.232 0.000 1.139 405 T CB -1.073 67.883 68.868 0.146 0.000 0.874 405 T HN 0.430 nan 8.240 nan 0.000 0.455 406 S N 1.489 117.248 115.700 0.097 0.000 2.402 406 S HA 0.133 4.606 4.470 0.005 0.000 0.229 406 S C 2.214 176.836 174.600 0.036 0.000 1.021 406 S CA 1.022 59.261 58.200 0.066 0.000 0.974 406 S CB -0.971 62.272 63.200 0.072 0.000 0.800 406 S HN 0.687 nan 8.310 nan 0.000 0.484 407 G N 0.129 108.937 108.800 0.014 0.000 3.044 407 G HA2 0.500 4.463 3.960 0.005 0.000 0.223 407 G HA3 0.500 4.463 3.960 0.005 0.000 0.223 407 G C 0.519 175.369 174.900 -0.084 0.000 1.123 407 G CA 0.100 45.183 45.100 -0.029 0.000 0.765 407 G HN 0.716 nan 8.290 nan 0.000 0.546 408 G N 0.700 109.424 108.800 -0.126 0.000 2.539 408 G HA2 0.416 4.378 3.960 0.005 0.000 0.258 408 G HA3 0.416 4.378 3.960 0.005 0.000 0.258 408 G C 0.625 175.471 174.900 -0.089 0.000 1.202 408 G CA 0.463 45.440 45.100 -0.206 0.000 0.851 408 G HN 0.370 nan 8.290 nan 0.000 0.556 409 T N -1.684 112.818 114.554 -0.086 0.000 2.748 409 T HA 0.092 4.445 4.350 0.005 0.000 0.304 409 T C 1.606 176.307 174.700 0.001 0.000 1.041 409 T CA -0.145 61.934 62.100 -0.035 0.000 1.033 409 T CB 1.124 69.970 68.868 -0.037 0.000 0.995 409 T HN 0.221 nan 8.240 nan 0.000 0.536 410 V N 1.228 121.149 119.914 0.012 0.000 2.407 410 V HA -0.122 4.001 4.120 0.005 0.000 0.248 410 V C 2.873 178.994 176.094 0.045 0.000 1.055 410 V CA 1.943 64.261 62.300 0.030 0.000 1.049 410 V CB -1.016 30.820 31.823 0.022 0.000 0.662 410 V HN 0.925 nan 8.190 nan 0.000 0.455 411 E N -0.230 119.989 120.200 0.032 0.000 2.110 411 E HA -0.259 4.094 4.350 0.005 0.000 0.193 411 E C 2.359 179.018 176.600 0.099 0.000 0.988 411 E CA 1.302 57.728 56.400 0.042 0.000 0.804 411 E CB -0.093 29.611 29.700 0.007 0.000 0.745 411 E HN 0.686 nan 8.360 nan 0.000 0.458 412 Q N 0.152 120.009 119.800 0.096 0.000 2.119 412 Q HA -0.093 4.250 4.340 0.005 0.000 0.201 412 Q C 2.210 178.442 176.000 0.387 0.000 0.972 412 Q CA 0.902 56.820 55.803 0.192 0.000 0.847 412 Q CB 0.054 28.785 28.738 -0.012 0.000 0.903 412 Q HN 0.315 nan 8.270 nan 0.000 0.433 413 I N -0.256 120.475 120.570 0.268 0.000 2.353 413 I HA -0.212 3.961 4.170 0.005 0.000 0.248 413 I C 2.065 178.271 176.117 0.148 0.000 1.119 413 I CA 0.559 62.014 61.300 0.260 0.000 1.417 413 I CB -0.036 38.059 38.000 0.158 0.000 1.078 413 I HN 0.039 nan 8.210 nan 0.000 0.421 414 V N 0.348 120.336 119.914 0.123 0.000 2.343 414 V HA -0.326 3.797 4.120 0.005 0.000 0.247 414 V C 2.294 178.460 176.094 0.120 0.000 1.051 414 V CA 1.929 64.279 62.300 0.084 0.000 1.036 414 V CB -0.740 31.122 31.823 0.065 0.000 0.654 414 V HN 0.421 nan 8.190 nan 0.000 0.451 415 Y N 0.531 120.864 120.300 0.055 0.000 2.128 415 Y HA -0.291 4.261 4.550 0.003 0.000 0.284 415 Y C 2.251 178.198 175.900 0.078 0.000 1.154 415 Y CA 1.989 60.131 58.100 0.071 0.000 1.149 415 Y CB -0.451 38.058 38.460 0.082 0.000 0.976 415 Y HN 0.218 nan 8.280 nan 0.000 0.505 416 L N -0.363 120.844 121.223 -0.026 0.000 2.013 416 L HA -0.218 4.125 4.340 0.005 0.000 0.212 416 L C 2.309 179.055 176.870 -0.206 0.000 1.073 416 L CA 2.000 56.708 54.840 -0.220 0.000 0.753 416 L CB -1.136 40.770 42.059 -0.254 0.000 0.890 416 L HN 0.190 nan 8.230 nan 0.000 0.432 417 V N -0.981 118.868 119.914 -0.108 0.000 2.358 417 V HA -0.314 3.808 4.120 0.005 0.000 0.246 417 V C 2.503 178.543 176.094 -0.090 0.000 1.047 417 V CA 1.925 64.166 62.300 -0.098 0.000 1.035 417 V CB -0.936 30.844 31.823 -0.071 0.000 0.658 417 V HN 0.695 nan 8.190 nan 0.000 0.452 418 H N -0.813 118.156 119.070 -0.168 0.000 2.456 418 H HA -0.175 4.383 4.556 0.003 0.000 0.296 418 H C 2.029 177.219 175.328 -0.230 0.000 1.079 418 H CA 1.961 57.910 56.048 -0.165 0.000 1.322 418 H CB -0.233 29.457 29.762 -0.120 0.000 1.388 418 H HN 0.458 nan 8.280 nan 0.000 0.538 419 C N -0.101 119.017 119.300 -0.303 0.000 2.522 419 C HA 0.306 4.769 4.460 0.005 0.000 0.271 419 C C 1.775 176.618 174.990 -0.245 0.000 1.425 419 C CA 0.833 59.656 59.018 -0.326 0.000 1.751 419 C CB -0.886 26.614 27.740 -0.400 0.000 1.775 419 C HN 0.919 nan 8.230 nan 0.000 0.557 420 G N 0.423 109.095 108.800 -0.213 0.000 2.131 420 G HA2 -0.216 3.747 3.960 0.005 0.000 0.201 420 G HA3 -0.216 3.747 3.960 0.005 0.000 0.201 420 G C 0.506 175.323 174.900 -0.138 0.000 1.000 420 G CA 0.192 45.193 45.100 -0.164 0.000 0.680 420 G HN 0.315 nan 8.290 nan 0.000 0.514 421 I N 0.696 121.176 120.570 -0.149 0.000 2.361 421 I HA -0.046 4.127 4.170 0.005 0.000 0.251 421 I C 2.408 178.463 176.117 -0.103 0.000 1.133 421 I CA 0.965 62.186 61.300 -0.132 0.000 1.413 421 I CB -0.164 37.742 38.000 -0.157 0.000 1.073 421 I HN 0.359 nan 8.210 nan 0.000 0.424 422 I N 0.208 120.717 120.570 -0.101 0.000 2.113 422 I HA -0.278 3.894 4.170 0.005 0.000 0.238 422 I C 2.445 178.523 176.117 -0.064 0.000 1.070 422 I CA 1.431 62.680 61.300 -0.085 0.000 1.332 422 I CB -1.522 36.426 38.000 -0.088 0.000 1.044 422 I HN 0.371 nan 8.210 nan 0.000 0.402 423 E N 1.339 121.502 120.200 -0.062 0.000 2.033 423 E HA -0.210 4.143 4.350 0.005 0.000 0.199 423 E C -0.632 175.944 176.600 -0.040 0.000 1.011 423 E CA 2.038 58.409 56.400 -0.048 0.000 0.815 423 E CB -0.726 28.944 29.700 -0.050 0.000 0.755 423 E HN 0.271 nan 8.360 nan 0.000 0.451 424 P HA -0.133 nan 4.420 nan 0.000 0.221 424 P C 1.635 178.920 177.300 -0.024 0.000 1.150 424 P CA 0.740 63.822 63.100 -0.029 0.000 0.800 424 P CB -0.009 31.672 31.700 -0.032 0.000 0.787 425 L N -0.807 120.394 121.223 -0.037 0.000 2.046 425 L HA -0.120 4.223 4.340 0.005 0.000 0.208 425 L C 2.472 179.329 176.870 -0.022 0.000 1.077 425 L CA 1.959 56.779 54.840 -0.034 0.000 0.747 425 L CB -1.116 40.913 42.059 -0.050 0.000 0.896 425 L HN -0.152 nan 8.230 nan 0.000 0.432 426 M N -0.906 118.680 119.600 -0.024 0.000 2.175 426 M HA -0.131 4.352 4.480 0.005 0.000 0.264 426 M C 1.943 178.236 176.300 -0.012 0.000 1.063 426 M CA 1.188 56.476 55.300 -0.019 0.000 1.119 426 M CB -1.652 30.933 32.600 -0.025 0.000 1.377 426 M HN 0.268 nan 8.290 nan 0.000 0.415 427 N N 0.664 119.359 118.700 -0.008 0.000 2.272 427 N HA -0.076 4.666 4.740 0.005 0.000 0.185 427 N C 1.665 177.186 175.510 0.018 0.000 1.014 427 N CA 0.923 53.974 53.050 0.002 0.000 0.870 427 N CB -0.376 38.113 38.487 0.003 0.000 0.975 427 N HN 0.374 nan 8.380 nan 0.000 0.433 428 L N 0.108 121.346 121.223 0.026 0.000 2.599 428 L HA 0.131 4.474 4.340 0.005 0.000 0.230 428 L C 1.482 178.380 176.870 0.046 0.000 1.141 428 L CA 0.054 54.929 54.840 0.057 0.000 0.877 428 L CB -0.023 42.077 42.059 0.068 0.000 1.009 428 L HN 0.098 nan 8.230 nan 0.000 0.447 429 L N -1.064 120.169 121.223 0.016 0.000 2.551 429 L HA -0.060 4.283 4.340 0.005 0.000 0.228 429 L C 1.792 178.668 176.870 0.010 0.000 1.153 429 L CA 0.428 55.271 54.840 0.004 0.000 0.851 429 L CB -0.156 41.896 42.059 -0.012 0.000 0.959 429 L HN 0.196 nan 8.230 nan 0.000 0.451 430 S N -0.136 115.572 115.700 0.013 0.000 2.671 430 S HA 0.281 4.753 4.470 0.005 0.000 0.220 430 S C 0.864 175.463 174.600 -0.001 0.000 0.951 430 S CA -0.179 58.026 58.200 0.008 0.000 0.932 430 S CB -0.088 63.112 63.200 -0.000 0.000 0.777 430 S HN 0.303 nan 8.310 nan 0.000 0.508 431 A N 1.971 124.798 122.820 0.013 0.000 2.388 431 A HA 0.401 4.724 4.320 0.005 0.000 0.257 431 A C 0.243 177.816 177.584 -0.019 0.000 1.095 431 A CA -0.440 51.581 52.037 -0.027 0.000 0.791 431 A CB 0.260 19.303 19.000 0.071 0.000 1.029 431 A HN 0.340 nan 8.150 nan 0.000 0.489 432 K N 2.114 122.462 120.400 -0.087 0.000 2.265 432 K HA 0.258 4.581 4.320 0.005 0.000 0.242 432 K C -1.015 175.570 176.600 -0.024 0.000 1.137 432 K CA 0.008 56.273 56.287 -0.036 0.000 1.082 432 K CB 0.186 32.650 32.500 -0.059 0.000 1.731 432 K HN 0.696 nan 8.250 nan 0.000 0.392 433 D N 0.693 121.128 120.400 0.058 0.000 2.633 433 D HA -0.059 4.584 4.640 0.005 0.000 0.198 433 D C 0.315 176.693 176.300 0.129 0.000 1.273 433 D CA -0.125 53.947 54.000 0.121 0.000 0.830 433 D CB 1.716 42.661 40.800 0.241 0.000 1.771 433 D HN 0.271 nan 8.370 nan 0.000 0.547 434 T N 2.361 116.986 114.554 0.118 0.000 2.978 434 T HA 0.011 4.363 4.350 0.005 0.000 0.262 434 T C 1.557 176.287 174.700 0.049 0.000 1.063 434 T CA 1.275 63.432 62.100 0.095 0.000 1.140 434 T CB 0.157 69.107 68.868 0.137 0.000 0.886 434 T HN 0.343 nan 8.240 nan 0.000 0.470 435 K N 0.515 120.960 120.400 0.076 0.000 2.009 435 K HA 0.018 4.341 4.320 0.005 0.000 0.210 435 K C 2.201 178.784 176.600 -0.027 0.000 1.049 435 K CA 1.738 58.057 56.287 0.054 0.000 0.929 435 K CB -0.425 32.152 32.500 0.128 0.000 0.714 435 K HN 0.372 nan 8.250 nan 0.000 0.440 436 I N 1.241 121.820 120.570 0.015 0.000 2.226 436 I HA -0.295 3.877 4.170 0.005 0.000 0.245 436 I C 2.027 178.098 176.117 -0.077 0.000 1.100 436 I CA 1.318 62.589 61.300 -0.047 0.000 1.374 436 I CB 0.006 38.046 38.000 0.067 0.000 1.057 436 I HN 0.157 nan 8.210 nan 0.000 0.413 437 I N 0.609 121.157 120.570 -0.036 0.000 2.151 437 I HA -0.387 3.786 4.170 0.005 0.000 0.243 437 I C 2.532 178.584 176.117 -0.108 0.000 1.080 437 I CA 1.677 62.932 61.300 -0.074 0.000 1.339 437 I CB -0.466 37.472 38.000 -0.104 0.000 1.039 437 I HN 0.328 nan 8.210 nan 0.000 0.409 438 Q N -0.098 119.633 119.800 -0.115 0.000 2.124 438 Q HA -0.168 4.175 4.340 0.005 0.000 0.202 438 Q C 2.384 178.283 176.000 -0.169 0.000 0.977 438 Q CA 1.546 57.276 55.803 -0.122 0.000 0.850 438 Q CB -0.153 28.524 28.738 -0.100 0.000 0.901 438 Q HN 0.381 nan 8.270 nan 0.000 0.429 439 V N 0.570 120.323 119.914 -0.269 0.000 2.427 439 V HA -0.244 3.879 4.120 0.005 0.000 0.248 439 V C 2.003 177.954 176.094 -0.238 0.000 1.051 439 V CA 1.541 63.598 62.300 -0.406 0.000 1.048 439 V CB -0.344 31.038 31.823 -0.734 0.000 0.666 439 V HN 0.362 nan 8.190 nan 0.000 0.456 440 I N -0.742 119.729 120.570 -0.165 0.000 2.286 440 I HA -0.184 3.988 4.170 0.005 0.000 0.245 440 I C 2.246 178.332 176.117 -0.053 0.000 1.104 440 I CA 1.274 62.516 61.300 -0.096 0.000 1.397 440 I CB -0.195 37.764 38.000 -0.068 0.000 1.072 440 I HN 0.241 nan 8.210 nan 0.000 0.417 441 L N 0.208 121.402 121.223 -0.048 0.000 2.046 441 L HA -0.250 4.093 4.340 0.005 0.000 0.208 441 L C 2.317 179.197 176.870 0.016 0.000 1.077 441 L CA 1.285 56.124 54.840 -0.000 0.000 0.747 441 L CB -0.686 41.367 42.059 -0.010 0.000 0.896 441 L HN 0.263 nan 8.230 nan 0.000 0.432 442 D N 0.239 120.625 120.400 -0.023 0.000 2.133 442 D HA -0.238 4.405 4.640 0.005 0.000 0.192 442 D C 2.125 178.429 176.300 0.006 0.000 1.001 442 D CA 1.754 55.746 54.000 -0.013 0.000 0.844 442 D CB 0.113 40.877 40.800 -0.060 0.000 0.944 442 D HN 0.296 nan 8.370 nan 0.000 0.447 443 A N 0.690 123.499 122.820 -0.018 0.000 1.873 443 A HA -0.135 4.187 4.320 0.005 0.000 0.215 443 A C 2.322 179.915 177.584 0.014 0.000 1.186 443 A CA 1.453 53.488 52.037 -0.004 0.000 0.616 443 A CB -0.620 18.361 19.000 -0.031 0.000 0.823 443 A HN 0.291 nan 8.150 nan 0.000 0.442 444 I N 0.652 121.239 120.570 0.028 0.000 2.087 444 I HA -0.281 3.891 4.170 0.005 0.000 0.240 444 I C 2.853 179.066 176.117 0.160 0.000 1.054 444 I CA 2.228 63.574 61.300 0.076 0.000 1.311 444 I CB -1.748 36.343 38.000 0.151 0.000 1.024 444 I HN 0.499 nan 8.210 nan 0.000 0.402 445 S N 1.638 117.446 115.700 0.181 0.000 2.370 445 S HA -0.213 4.260 4.470 0.005 0.000 0.226 445 S C 1.793 176.488 174.600 0.158 0.000 1.033 445 S CA 1.802 60.126 58.200 0.207 0.000 1.011 445 S CB -0.399 62.894 63.200 0.154 0.000 0.852 445 S HN 0.453 nan 8.310 nan 0.000 0.457 446 N N 1.397 120.154 118.700 0.096 0.000 2.289 446 N HA 0.038 4.781 4.740 0.005 0.000 0.184 446 N C 1.701 177.241 175.510 0.050 0.000 1.016 446 N CA 1.383 54.478 53.050 0.075 0.000 0.872 446 N CB -0.513 38.012 38.487 0.064 0.000 0.973 446 N HN 0.530 nan 8.380 nan 0.000 0.433 447 I N -0.385 120.186 120.570 0.002 0.000 2.406 447 I HA -0.157 4.016 4.170 0.005 0.000 0.249 447 I C 1.610 177.640 176.117 -0.146 0.000 1.122 447 I CA 0.580 61.825 61.300 -0.092 0.000 1.431 447 I CB -0.127 37.765 38.000 -0.179 0.000 1.087 447 I HN -0.102 nan 8.210 nan 0.000 0.424 448 F N 1.359 121.236 119.950 -0.121 0.000 2.134 448 F HA -0.241 4.290 4.527 0.006 0.000 0.299 448 F C 2.654 178.399 175.800 -0.092 0.000 1.097 448 F CA 1.527 59.385 58.000 -0.237 0.000 1.264 448 F CB -0.714 37.973 39.000 -0.521 0.000 1.001 448 F HN 0.080 nan 8.300 nan 0.000 0.479 449 Q N -0.570 119.338 119.800 0.180 0.000 2.135 449 Q HA -0.210 4.132 4.340 0.005 0.000 0.204 449 Q C 2.401 178.455 176.000 0.090 0.000 0.981 449 Q CA 1.621 57.506 55.803 0.137 0.000 0.856 449 Q CB -0.472 28.331 28.738 0.110 0.000 0.902 449 Q HN 0.439 nan 8.270 nan 0.000 0.425 450 A N 0.573 123.427 122.820 0.056 0.000 2.016 450 A HA 0.063 4.386 4.320 0.005 0.000 0.217 450 A C 2.205 179.804 177.584 0.025 0.000 1.162 450 A CA 1.117 53.175 52.037 0.035 0.000 0.662 450 A CB -0.453 18.562 19.000 0.025 0.000 0.812 450 A HN 0.373 nan 8.150 nan 0.000 0.450 451 A N 0.216 123.043 122.820 0.011 0.000 1.873 451 A HA -0.154 4.169 4.320 0.005 0.000 0.215 451 A C 1.862 179.492 177.584 0.076 0.000 1.186 451 A CA 1.534 53.582 52.037 0.018 0.000 0.616 451 A CB -0.584 18.398 19.000 -0.030 0.000 0.823 451 A HN 0.590 nan 8.150 nan 0.000 0.442 452 E N 0.067 120.341 120.200 0.124 0.000 2.055 452 E HA -0.270 4.082 4.350 0.005 0.000 0.209 452 E C 1.858 178.503 176.600 0.075 0.000 1.036 452 E CA 1.814 58.287 56.400 0.122 0.000 0.849 452 E CB -0.306 29.480 29.700 0.145 0.000 0.767 452 E HN 0.563 nan 8.360 nan 0.000 0.461 453 K N 0.167 120.604 120.400 0.062 0.000 2.442 453 K HA -0.113 4.210 4.320 0.005 0.000 0.200 453 K C 1.783 178.404 176.600 0.034 0.000 1.045 453 K CA 0.601 56.914 56.287 0.042 0.000 0.937 453 K CB 0.032 32.553 32.500 0.036 0.000 0.757 453 K HN 0.185 nan 8.250 nan 0.000 0.474 454 L N -1.138 120.107 121.223 0.036 0.000 2.701 454 L HA 0.145 4.488 4.340 0.005 0.000 0.238 454 L C 0.718 177.605 176.870 0.029 0.000 1.106 454 L CA 0.041 54.897 54.840 0.027 0.000 0.898 454 L CB 0.634 42.705 42.059 0.020 0.000 1.188 454 L HN 0.355 nan 8.230 nan 0.000 0.508 455 G N 0.962 109.785 108.800 0.039 0.000 2.221 455 G HA2 -0.255 3.708 3.960 0.005 0.000 0.265 455 G HA3 -0.255 3.708 3.960 0.005 0.000 0.265 455 G C 0.389 175.313 174.900 0.040 0.000 1.041 455 G CA 0.299 45.424 45.100 0.041 0.000 0.807 455 G HN 0.396 nan 8.290 nan 0.000 0.502 456 E N -0.458 119.767 120.200 0.042 0.000 2.734 456 E HA 0.072 4.425 4.350 0.005 0.000 0.211 456 E C 2.095 178.721 176.600 0.045 0.000 0.991 456 E CA 0.695 57.114 56.400 0.032 0.000 1.065 456 E CB 0.114 29.820 29.700 0.010 0.000 1.047 456 E HN 0.657 nan 8.360 nan 0.000 0.470 457 T N -1.965 112.645 114.554 0.093 0.000 2.881 457 T HA -0.106 4.247 4.350 0.005 0.000 0.270 457 T C 1.536 176.327 174.700 0.151 0.000 1.068 457 T CA 0.967 63.170 62.100 0.172 0.000 1.131 457 T CB 0.084 69.103 68.868 0.252 0.000 0.871 457 T HN 0.120 nan 8.240 nan 0.000 0.479 458 E N 1.605 121.862 120.200 0.095 0.000 2.012 458 E HA -0.198 4.155 4.350 0.005 0.000 0.197 458 E C 2.367 179.009 176.600 0.070 0.000 1.007 458 E CA 1.485 57.931 56.400 0.076 0.000 0.816 458 E CB -0.251 29.482 29.700 0.054 0.000 0.762 458 E HN 0.556 nan 8.360 nan 0.000 0.451 459 K N 1.469 121.895 120.400 0.044 0.000 2.077 459 K HA -0.252 4.070 4.320 0.005 0.000 0.213 459 K C 2.228 178.837 176.600 0.015 0.000 1.051 459 K CA 1.583 57.885 56.287 0.025 0.000 0.929 459 K CB -0.536 31.969 32.500 0.008 0.000 0.715 459 K HN 0.132 nan 8.250 nan 0.000 0.451 460 L N 2.029 123.240 121.223 -0.021 0.000 2.083 460 L HA -0.110 4.233 4.340 0.005 0.000 0.209 460 L C 2.215 179.096 176.870 0.019 0.000 1.083 460 L CA 2.043 56.810 54.840 -0.122 0.000 0.752 460 L CB -0.584 41.223 42.059 -0.420 0.000 0.899 460 L HN 0.268 nan 8.230 nan 0.000 0.433 461 S N -0.600 115.215 115.700 0.192 0.000 2.402 461 S HA -0.076 4.396 4.470 0.005 0.000 0.229 461 S C 1.968 176.771 174.600 0.338 0.000 1.021 461 S CA 1.457 59.899 58.200 0.403 0.000 0.974 461 S CB -0.447 62.884 63.200 0.218 0.000 0.800 461 S HN 0.465 nan 8.310 nan 0.000 0.484 462 I N 1.679 122.357 120.570 0.180 0.000 2.163 462 I HA -0.197 3.976 4.170 0.005 0.000 0.240 462 I C 2.560 178.730 176.117 0.087 0.000 1.081 462 I CA 1.210 62.583 61.300 0.121 0.000 1.353 462 I CB -0.424 37.621 38.000 0.076 0.000 1.054 462 I HN 0.226 nan 8.210 nan 0.000 0.407 463 M N 0.137 119.770 119.600 0.055 0.000 2.089 463 M HA -0.288 4.195 4.480 0.005 0.000 0.257 463 M C 2.401 178.718 176.300 0.029 0.000 1.071 463 M CA 2.164 57.474 55.300 0.018 0.000 1.096 463 M CB -0.552 32.034 32.600 -0.024 0.000 1.330 463 M HN 0.225 nan 8.290 nan 0.000 0.403 464 I N -0.369 120.249 120.570 0.079 0.000 2.286 464 I HA -0.232 3.941 4.170 0.005 0.000 0.245 464 I C 2.223 178.359 176.117 0.031 0.000 1.104 464 I CA 1.296 62.640 61.300 0.074 0.000 1.397 464 I CB -0.261 37.859 38.000 0.199 0.000 1.072 464 I HN 0.289 nan 8.210 nan 0.000 0.417 465 E N 0.573 120.818 120.200 0.075 0.000 2.051 465 E HA -0.249 4.104 4.350 0.005 0.000 0.192 465 E C 2.010 178.617 176.600 0.011 0.000 0.991 465 E CA 1.173 57.587 56.400 0.023 0.000 0.799 465 E CB -0.136 29.614 29.700 0.084 0.000 0.748 465 E HN 0.466 nan 8.360 nan 0.000 0.449 466 E N -0.138 120.077 120.200 0.025 0.000 2.267 466 E HA -0.180 4.172 4.350 0.005 0.000 0.197 466 E C 2.061 178.658 176.600 -0.005 0.000 0.998 466 E CA 1.186 57.592 56.400 0.010 0.000 0.830 466 E CB -0.131 29.576 29.700 0.012 0.000 0.751 466 E HN 0.457 nan 8.360 nan 0.000 0.491 467 C N -2.699 116.595 119.300 -0.011 0.000 3.070 467 C HA 0.597 5.060 4.460 0.005 0.000 0.280 467 C C 1.569 176.545 174.990 -0.024 0.000 1.264 467 C CA 0.119 59.125 59.018 -0.020 0.000 1.690 467 C CB 0.049 27.774 27.740 -0.025 0.000 2.049 467 C HN 0.400 nan 8.230 nan 0.000 0.636 468 G N 0.166 108.949 108.800 -0.029 0.000 2.175 468 G HA2 -0.012 3.951 3.960 0.005 0.000 0.182 468 G HA3 -0.012 3.951 3.960 0.005 0.000 0.182 468 G C 1.014 175.882 174.900 -0.054 0.000 1.003 468 G CA 0.147 45.225 45.100 -0.037 0.000 0.666 468 G HN 0.939 nan 8.290 nan 0.000 0.506 469 G N 0.339 109.102 108.800 -0.062 0.000 2.418 469 G HA2 0.076 4.039 3.960 0.005 0.000 0.217 469 G HA3 0.076 4.039 3.960 0.005 0.000 0.217 469 G C 1.671 176.472 174.900 -0.165 0.000 1.158 469 G CA 1.613 46.662 45.100 -0.085 0.000 0.771 469 G HN 0.642 nan 8.290 nan 0.000 0.545 470 L N 1.279 122.366 121.223 -0.228 0.000 2.072 470 L HA 0.073 4.416 4.340 0.005 0.000 0.205 470 L C 2.210 178.963 176.870 -0.195 0.000 1.079 470 L CA 1.839 56.470 54.840 -0.348 0.000 0.752 470 L CB -0.856 40.985 42.059 -0.364 0.000 0.906 470 L HN 0.203 nan 8.230 nan 0.000 0.436 471 D N -0.663 119.667 120.400 -0.117 0.000 2.149 471 D HA -0.211 4.432 4.640 0.005 0.000 0.198 471 D C 2.090 178.354 176.300 -0.060 0.000 0.990 471 D CA 1.360 55.318 54.000 -0.070 0.000 0.839 471 D CB -0.058 40.715 40.800 -0.046 0.000 0.948 471 D HN 0.319 nan 8.370 nan 0.000 0.460 472 K N 0.088 120.448 120.400 -0.065 0.000 2.007 472 K HA 0.014 4.337 4.320 0.005 0.000 0.206 472 K C 2.271 178.844 176.600 -0.045 0.000 1.047 472 K CA 0.699 56.960 56.287 -0.044 0.000 0.937 472 K CB -0.172 32.306 32.500 -0.036 0.000 0.718 472 K HN 0.173 nan 8.250 nan 0.000 0.438 473 I N 1.441 121.963 120.570 -0.080 0.000 2.286 473 I HA -0.253 3.920 4.170 0.005 0.000 0.248 473 I C 2.218 178.314 176.117 -0.035 0.000 1.115 473 I CA 1.167 62.431 61.300 -0.060 0.000 1.392 473 I CB -0.282 37.665 38.000 -0.089 0.000 1.065 473 I HN 0.232 nan 8.210 nan 0.000 0.418 474 E N 1.016 121.178 120.200 -0.062 0.000 2.055 474 E HA -0.348 4.004 4.350 0.005 0.000 0.209 474 E C 2.337 178.943 176.600 0.010 0.000 1.036 474 E CA 1.903 58.288 56.400 -0.025 0.000 0.849 474 E CB -0.277 29.401 29.700 -0.036 0.000 0.767 474 E HN 0.557 nan 8.360 nan 0.000 0.461 475 A N 0.936 123.763 122.820 0.012 0.000 1.892 475 A HA -0.204 4.119 4.320 0.005 0.000 0.218 475 A C 2.186 179.821 177.584 0.085 0.000 1.188 475 A CA 1.573 53.635 52.037 0.041 0.000 0.631 475 A CB -0.886 18.137 19.000 0.038 0.000 0.822 475 A HN 0.229 nan 8.150 nan 0.000 0.447 476 L N -0.456 120.812 121.223 0.075 0.000 2.549 476 L HA -0.237 4.106 4.340 0.005 0.000 0.230 476 L C 2.548 179.510 176.870 0.152 0.000 1.162 476 L CA 0.948 55.844 54.840 0.092 0.000 0.834 476 L CB -0.703 41.338 42.059 -0.030 0.000 0.947 476 L HN 0.500 nan 8.230 nan 0.000 0.452 477 Q N 0.452 120.325 119.800 0.122 0.000 2.050 477 Q HA -0.112 4.231 4.340 0.005 0.000 0.202 477 Q C 0.987 177.060 176.000 0.122 0.000 0.980 477 Q CA 1.184 57.060 55.803 0.122 0.000 0.840 477 Q CB -0.068 28.701 28.738 0.051 0.000 0.898 477 Q HN 0.449 nan 8.270 nan 0.000 0.424 478 R N 1.141 121.701 120.500 0.100 0.000 3.701 478 R HA 0.161 4.504 4.340 0.005 0.000 0.210 478 R C -0.896 175.502 176.300 0.163 0.000 1.598 478 R CA -0.049 56.102 56.100 0.085 0.000 1.427 478 R CB -0.117 30.206 30.300 0.039 0.000 1.339 478 R HN 0.192 nan 8.270 nan 0.000 0.720 479 H N -0.244 118.913 119.070 0.145 0.000 2.768 479 H HA 0.090 4.649 4.556 0.005 0.000 0.371 479 H C 0.116 175.559 175.328 0.193 0.000 1.151 479 H CA -0.785 55.347 56.048 0.141 0.000 1.165 479 H CB 1.398 31.232 29.762 0.120 0.000 1.722 479 H HN 0.360 nan 8.280 nan 0.000 0.543 480 E N 2.668 122.752 120.200 -0.193 0.000 2.321 480 E HA 0.014 4.366 4.350 0.005 0.000 0.189 480 E C -0.321 176.318 176.600 0.065 0.000 1.125 480 E CA -0.211 56.174 56.400 -0.026 0.000 1.005 480 E CB -0.068 29.569 29.700 -0.105 0.000 1.140 480 E HN 0.241 nan 8.360 nan 0.000 0.457 481 N N 1.369 120.179 118.700 0.182 0.000 2.500 481 N HA -0.020 4.723 4.740 0.005 0.000 0.291 481 N C 0.267 175.603 175.510 -0.291 0.000 1.092 481 N CA -0.153 52.928 53.050 0.052 0.000 0.890 481 N CB 2.014 40.604 38.487 0.171 0.000 1.466 481 N HN 0.103 nan 8.380 nan 0.000 0.507 482 E N 2.243 122.185 120.200 -0.431 0.000 2.086 482 E HA -0.177 4.176 4.350 0.005 0.000 0.200 482 E C 0.936 177.177 176.600 -0.599 0.000 1.012 482 E CA 2.139 58.076 56.400 -0.773 0.000 0.812 482 E CB -0.016 29.504 29.700 -0.299 0.000 0.743 482 E HN 0.523 nan 8.360 nan 0.000 0.453 483 S N -1.033 114.497 115.700 -0.282 0.000 2.399 483 S HA -0.119 4.354 4.470 0.005 0.000 0.231 483 S C 1.818 176.323 174.600 -0.158 0.000 1.022 483 S CA 1.065 59.166 58.200 -0.165 0.000 0.983 483 S CB -0.143 63.004 63.200 -0.088 0.000 0.803 483 S HN 0.218 nan 8.310 nan 0.000 0.480 484 V N 1.521 121.323 119.914 -0.187 0.000 2.239 484 V HA -0.145 3.978 4.120 0.005 0.000 0.242 484 V C 2.178 178.238 176.094 -0.057 0.000 1.038 484 V CA 1.898 64.103 62.300 -0.158 0.000 1.002 484 V CB -1.125 30.518 31.823 -0.298 0.000 0.641 484 V HN 0.715 nan 8.190 nan 0.000 0.449 485 Y N 1.207 121.523 120.300 0.027 0.000 2.333 485 Y HA -0.084 4.469 4.550 0.005 0.000 0.290 485 Y C 2.184 178.102 175.900 0.030 0.000 1.144 485 Y CA 0.996 59.121 58.100 0.041 0.000 1.228 485 Y CB -1.146 37.357 38.460 0.071 0.000 0.985 485 Y HN 0.125 nan 8.280 nan 0.000 0.542 486 K N 0.736 121.268 120.400 0.220 0.000 2.001 486 K HA -0.033 4.290 4.320 0.005 0.000 0.208 486 K C 2.542 179.203 176.600 0.102 0.000 1.048 486 K CA 1.303 57.699 56.287 0.180 0.000 0.932 486 K CB -0.445 32.096 32.500 0.070 0.000 0.715 486 K HN 0.403 nan 8.250 nan 0.000 0.437 487 A N 1.042 123.893 122.820 0.052 0.000 1.972 487 A HA -0.183 4.140 4.320 0.005 0.000 0.219 487 A C 2.136 179.770 177.584 0.083 0.000 1.169 487 A CA 2.233 54.302 52.037 0.053 0.000 0.635 487 A CB -0.527 18.487 19.000 0.024 0.000 0.810 487 A HN 0.436 nan 8.150 nan 0.000 0.446 488 S N -0.736 115.017 115.700 0.088 0.000 2.355 488 S HA -0.018 4.455 4.470 0.005 0.000 0.216 488 S C 1.772 176.442 174.600 0.117 0.000 1.037 488 S CA 0.936 59.197 58.200 0.103 0.000 0.955 488 S CB -0.797 62.446 63.200 0.072 0.000 0.877 488 S HN 0.351 nan 8.310 nan 0.000 0.488 489 L N 3.453 124.745 121.223 0.116 0.000 2.197 489 L HA -0.094 4.249 4.340 0.005 0.000 0.215 489 L C 2.080 178.994 176.870 0.073 0.000 1.095 489 L CA 2.001 56.895 54.840 0.091 0.000 0.764 489 L CB -1.489 40.622 42.059 0.087 0.000 0.897 489 L HN 0.542 nan 8.230 nan 0.000 0.436 490 N N -0.658 118.087 118.700 0.075 0.000 2.250 490 N HA -0.136 4.607 4.740 0.005 0.000 0.181 490 N C 1.814 177.340 175.510 0.025 0.000 1.017 490 N CA 1.415 54.486 53.050 0.035 0.000 0.866 490 N CB -0.223 38.286 38.487 0.037 0.000 0.985 490 N HN 0.474 nan 8.380 nan 0.000 0.429 491 L N 0.402 121.697 121.223 0.119 0.000 2.056 491 L HA -0.075 4.268 4.340 0.005 0.000 0.207 491 L C 2.293 179.326 176.870 0.271 0.000 1.078 491 L CA 0.634 55.609 54.840 0.225 0.000 0.749 491 L CB -0.334 41.929 42.059 0.340 0.000 0.901 491 L HN 0.147 nan 8.230 nan 0.000 0.433 492 I N 0.514 121.273 120.570 0.315 0.000 2.058 492 I HA -0.323 3.850 4.170 0.005 0.000 0.235 492 I C 2.574 178.749 176.117 0.098 0.000 1.053 492 I CA 2.078 63.576 61.300 0.329 0.000 1.313 492 I CB -1.256 36.858 38.000 0.190 0.000 1.039 492 I HN 0.497 nan 8.210 nan 0.000 0.396 493 E N 1.743 121.954 120.200 0.019 0.000 2.333 493 E HA -0.248 4.105 4.350 0.005 0.000 0.200 493 E C 1.708 178.202 176.600 -0.177 0.000 1.010 493 E CA 1.461 57.827 56.400 -0.057 0.000 0.841 493 E CB -0.185 29.488 29.700 -0.045 0.000 0.757 493 E HN 0.547 nan 8.360 nan 0.000 0.508 494 K N -1.306 118.902 120.400 -0.320 0.000 2.367 494 K HA 0.093 4.416 4.320 0.005 0.000 0.195 494 K C 0.344 176.365 176.600 -0.964 0.000 1.060 494 K CA 0.305 56.185 56.287 -0.679 0.000 1.022 494 K CB 0.512 32.449 32.500 -0.937 0.000 0.894 494 K HN 0.167 nan 8.250 nan 0.000 0.540 495 Y N -2.414 117.612 120.300 -0.457 0.000 2.459 495 Y HA 0.209 4.762 4.550 0.005 0.000 0.271 495 Y C 0.824 176.267 175.900 -0.762 0.000 1.063 495 Y CA -0.451 57.171 58.100 -0.796 0.000 1.216 495 Y CB 0.638 38.195 38.460 -1.506 0.000 1.335 495 Y HN -0.115 nan 8.280 nan 0.000 0.550 496 F N -0.336 119.638 119.950 0.041 0.000 2.682 496 F HA 0.646 5.175 4.527 0.004 0.000 0.308 496 F C 1.041 176.858 175.800 0.027 0.000 1.093 496 F CA 0.455 58.486 58.000 0.051 0.000 1.244 496 F CB 0.252 39.287 39.000 0.059 0.000 1.052 496 F HN -0.032 nan 8.300 nan 0.000 0.573 497 S N 0.000 115.778 115.700 0.130 0.000 2.498 497 S HA 0.000 4.473 4.470 0.005 0.000 0.327 497 S CA 0.000 58.215 58.200 0.024 0.000 1.107 497 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 497 S HN 0.000 nan 8.310 nan 0.000 0.517