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 3p4t_1_A DATA FIRST_RESID 23 DATA SEQUENCE SIWTTAEREA LRKTVRAFAE REVLPHAHEW ERAGEIPREL HRKAAELGLL DATA SEQUENCE GAGFPEDAGG SGGDGADPVV ICEEMHYAGS PGGVYASLFT CGIAVPHMIA DATA SEQUENCE SGDQRLIDTY VRPTLRGEKI GALAITEPGG GSDVGHLRTR ADLDGDHYVI DATA SEQUENCE NGAKTYITSG VRADYVVTAA RTGGPGAGGV SLIVVDKGTP GFEVTRKLDK DATA SEQUENCE MGWRSSDTAE LSYTDVRVPV ANLVGSENTG FAQIAAAFVA ERVGLATQAY DATA SEQUENCE AGAQRCLDLT VEWCRNRDTF GRPLISRQAV QNTLAGMARR IDVARVYTRH DATA SEQUENCE VVERQLAGET NLIAEVCFAK NTAVEAGEWV ANQAVQLFGG MGYMAESEVE DATA SEQUENCE RQYRDMRILG IGGGTTEILT SLAAKTLGFQ S 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 23 S HA 0.000 nan 4.470 nan 0.000 0.327 23 S C 0.000 174.593 174.600 -0.012 0.000 1.055 23 S CA 0.000 58.261 58.200 0.102 0.000 1.107 23 S CB 0.000 63.240 63.200 0.067 0.000 0.593 24 I N -0.013 120.465 120.570 -0.153 0.000 2.700 24 I HA 0.067 4.237 4.170 0.001 0.000 0.261 24 I C 1.626 177.461 176.117 -0.470 0.000 1.219 24 I CA 1.227 62.303 61.300 -0.374 0.000 1.463 24 I CB -0.413 37.256 38.000 -0.551 0.000 1.092 24 I HN 0.454 nan 8.210 nan 0.000 0.452 25 W N 1.796 123.105 121.300 0.015 0.000 3.003 25 W HA 0.101 4.762 4.660 0.001 0.000 0.257 25 W C 1.794 178.333 176.519 0.034 0.000 1.308 25 W CA 0.889 58.250 57.345 0.026 0.000 1.529 25 W CB -0.024 29.457 29.460 0.035 0.000 1.115 25 W HN 0.280 nan 8.180 nan 0.000 0.659 26 T N -3.633 111.021 114.554 0.167 0.000 3.337 26 T HA 0.144 4.494 4.350 0.001 0.000 0.299 26 T C 0.578 175.315 174.700 0.062 0.000 0.998 26 T CA -0.005 62.170 62.100 0.125 0.000 0.948 26 T CB -0.946 68.000 68.868 0.130 0.000 1.170 26 T HN -0.093 nan 8.240 nan 0.000 0.508 27 T N -0.352 114.214 114.554 0.021 0.000 2.791 27 T HA 0.497 4.848 4.350 0.001 0.000 0.323 27 T C 1.867 176.576 174.700 0.015 0.000 1.082 27 T CA 0.019 62.120 62.100 0.001 0.000 1.084 27 T CB 0.693 69.541 68.868 -0.034 0.000 0.992 27 T HN 0.345 nan 8.240 nan 0.000 0.547 28 A N 0.908 123.735 122.820 0.011 0.000 1.908 28 A HA -0.104 4.217 4.320 0.001 0.000 0.218 28 A C 2.354 179.948 177.584 0.016 0.000 1.181 28 A CA 1.839 53.887 52.037 0.017 0.000 0.627 28 A CB -0.995 18.012 19.000 0.013 0.000 0.818 28 A HN 0.990 nan 8.150 nan 0.000 0.445 29 E N -0.966 119.237 120.200 0.004 0.000 2.051 29 E HA -0.206 4.144 4.350 0.001 0.000 0.192 29 E C 2.351 178.956 176.600 0.008 0.000 0.991 29 E CA 1.182 57.582 56.400 0.001 0.000 0.799 29 E CB -0.106 29.585 29.700 -0.015 0.000 0.748 29 E HN 0.380 nan 8.360 nan 0.000 0.449 30 R N 0.804 121.307 120.500 0.006 0.000 2.096 30 R HA -0.086 4.254 4.340 0.001 0.000 0.235 30 R C 2.098 178.434 176.300 0.059 0.000 1.127 30 R CA 0.977 57.093 56.100 0.028 0.000 0.968 30 R CB -0.123 30.195 30.300 0.031 0.000 0.861 30 R HN 0.098 nan 8.270 nan 0.000 0.440 31 E N -0.046 120.189 120.200 0.059 0.000 2.106 31 E HA -0.084 4.267 4.350 0.001 0.000 0.192 31 E C 1.882 178.520 176.600 0.063 0.000 0.984 31 E CA 1.368 57.810 56.400 0.070 0.000 0.806 31 E CB -0.260 29.479 29.700 0.064 0.000 0.750 31 E HN 0.338 nan 8.360 nan 0.000 0.458 32 A N 1.127 123.976 122.820 0.048 0.000 1.930 32 A HA -0.145 4.175 4.320 0.001 0.000 0.217 32 A C 2.224 179.838 177.584 0.051 0.000 1.175 32 A CA 1.117 53.181 52.037 0.046 0.000 0.627 32 A CB -0.533 18.487 19.000 0.034 0.000 0.815 32 A HN 0.244 nan 8.150 nan 0.000 0.443 33 L N 0.082 121.333 121.223 0.047 0.000 2.046 33 L HA -0.142 4.198 4.340 0.001 0.000 0.208 33 L C 2.425 179.336 176.870 0.067 0.000 1.077 33 L CA 1.961 56.831 54.840 0.048 0.000 0.747 33 L CB -0.646 41.435 42.059 0.038 0.000 0.896 33 L HN 0.365 nan 8.230 nan 0.000 0.432 34 R N -0.497 120.051 120.500 0.081 0.000 2.081 34 R HA -0.200 4.140 4.340 0.001 0.000 0.235 34 R C 2.367 178.730 176.300 0.106 0.000 1.131 34 R CA 1.701 57.862 56.100 0.102 0.000 0.960 34 R CB -0.413 29.962 30.300 0.125 0.000 0.856 34 R HN 0.374 nan 8.270 nan 0.000 0.436 35 K N 0.242 120.698 120.400 0.093 0.000 2.057 35 K HA -0.116 4.205 4.320 0.001 0.000 0.207 35 K C 1.822 178.480 176.600 0.098 0.000 1.049 35 K CA 1.768 58.109 56.287 0.090 0.000 0.931 35 K CB 0.018 32.562 32.500 0.073 0.000 0.714 35 K HN 0.061 nan 8.250 nan 0.000 0.440 36 T N 0.763 115.372 114.554 0.091 0.000 2.684 36 T HA -0.130 4.220 4.350 0.001 0.000 0.267 36 T C 1.850 176.639 174.700 0.149 0.000 1.036 36 T CA 1.609 63.771 62.100 0.102 0.000 1.148 36 T CB -0.174 68.736 68.868 0.070 0.000 0.863 36 T HN 0.015 nan 8.240 nan 0.000 0.436 37 V N 1.443 121.441 119.914 0.139 0.000 2.343 37 V HA -0.159 3.962 4.120 0.001 0.000 0.247 37 V C 2.631 178.867 176.094 0.235 0.000 1.051 37 V CA 1.560 63.978 62.300 0.197 0.000 1.036 37 V CB -0.584 31.323 31.823 0.140 0.000 0.654 37 V HN 0.383 nan 8.190 nan 0.000 0.451 38 R N 0.206 120.808 120.500 0.170 0.000 2.081 38 R HA -0.135 4.205 4.340 0.001 0.000 0.235 38 R C 2.444 178.827 176.300 0.138 0.000 1.131 38 R CA 1.528 57.717 56.100 0.148 0.000 0.960 38 R CB -0.625 29.751 30.300 0.127 0.000 0.856 38 R HN 0.545 nan 8.270 nan 0.000 0.436 39 A N 0.858 123.765 122.820 0.144 0.000 1.930 39 A HA -0.187 4.133 4.320 0.001 0.000 0.217 39 A C 1.943 179.618 177.584 0.152 0.000 1.175 39 A CA 1.056 53.167 52.037 0.125 0.000 0.627 39 A CB -0.598 18.472 19.000 0.116 0.000 0.815 39 A HN 0.374 nan 8.150 nan 0.000 0.443 40 F N 1.130 121.122 119.950 0.069 0.000 2.102 40 F HA -0.075 4.452 4.527 0.001 0.000 0.298 40 F C 2.475 178.326 175.800 0.085 0.000 1.105 40 F CA 1.322 59.369 58.000 0.079 0.000 1.239 40 F CB -0.527 38.527 39.000 0.090 0.000 0.991 40 F HN 0.243 nan 8.300 nan 0.000 0.474 41 A N 0.186 123.035 122.820 0.047 0.000 1.877 41 A HA -0.207 4.114 4.320 0.001 0.000 0.216 41 A C 2.103 179.626 177.584 -0.101 0.000 1.186 41 A CA 1.924 53.923 52.037 -0.063 0.000 0.620 41 A CB -0.987 18.063 19.000 0.084 0.000 0.822 41 A HN 0.571 nan 8.150 nan 0.000 0.443 42 E N -1.037 119.144 120.200 -0.032 0.000 2.110 42 E HA -0.177 4.173 4.350 0.001 0.000 0.193 42 E C 2.288 178.842 176.600 -0.077 0.000 0.988 42 E CA 1.217 57.592 56.400 -0.041 0.000 0.804 42 E CB -0.110 29.590 29.700 0.000 0.000 0.745 42 E HN 0.623 nan 8.360 nan 0.000 0.458 43 R N 0.483 120.936 120.500 -0.078 0.000 2.080 43 R HA -0.064 4.277 4.340 0.001 0.000 0.222 43 R C 1.555 177.798 176.300 -0.096 0.000 1.107 43 R CA 1.068 57.128 56.100 -0.067 0.000 0.980 43 R CB 0.355 30.647 30.300 -0.014 0.000 0.879 43 R HN 0.018 nan 8.270 nan 0.000 0.439 44 E N -0.554 119.520 120.200 -0.209 0.000 2.413 44 E HA 0.035 4.386 4.350 0.001 0.000 0.203 44 E C 1.700 178.257 176.600 -0.072 0.000 0.957 44 E CA 0.438 56.736 56.400 -0.171 0.000 0.950 44 E CB 0.964 30.398 29.700 -0.444 0.000 0.957 44 E HN 0.173 nan 8.360 nan 0.000 0.497 45 V N 0.910 120.706 119.914 -0.196 0.000 2.721 45 V HA 0.011 4.131 4.120 0.001 0.000 0.236 45 V C 2.327 178.259 176.094 -0.270 0.000 1.116 45 V CA 0.357 62.577 62.300 -0.134 0.000 1.148 45 V CB -0.316 31.482 31.823 -0.041 0.000 0.886 45 V HN 0.073 nan 8.190 nan 0.000 0.490 46 L N 0.649 121.751 121.223 -0.202 0.000 2.079 46 L HA -0.121 4.219 4.340 0.001 0.000 0.210 46 L C -0.099 176.591 176.870 -0.301 0.000 1.081 46 L CA 1.691 56.412 54.840 -0.199 0.000 0.752 46 L CB -1.921 40.065 42.059 -0.121 0.000 0.896 46 L HN 0.382 nan 8.230 nan 0.000 0.433 47 P HA -0.129 nan 4.420 nan 0.000 0.220 47 P C 1.020 177.840 177.300 -0.799 0.000 1.148 47 P CA 1.375 64.127 63.100 -0.579 0.000 0.803 47 P CB 0.017 31.315 31.700 -0.671 0.000 0.782 48 H N -2.569 116.165 119.070 -0.560 0.000 2.893 48 H HA 0.415 4.972 4.556 0.001 0.000 0.270 48 H C 1.678 176.378 175.328 -1.048 0.000 1.095 48 H CA 0.293 55.817 56.048 -0.872 0.000 1.186 48 H CB 0.082 29.017 29.762 -1.378 0.000 1.562 48 H HN 0.026 nan 8.280 nan 0.000 0.536 49 A N 0.941 123.407 122.820 -0.590 0.000 1.883 49 A HA -0.265 4.056 4.320 0.001 0.000 0.217 49 A C 2.111 179.616 177.584 -0.131 0.000 1.186 49 A CA 2.069 53.917 52.037 -0.314 0.000 0.624 49 A CB -0.839 18.075 19.000 -0.143 0.000 0.822 49 A HN 0.491 nan 8.150 nan 0.000 0.444 50 H N -0.189 118.779 119.070 -0.170 0.000 2.352 50 H HA -0.126 4.430 4.556 0.001 0.000 0.299 50 H C 1.963 177.265 175.328 -0.043 0.000 1.097 50 H CA 2.098 58.098 56.048 -0.081 0.000 1.311 50 H CB -0.058 29.656 29.762 -0.081 0.000 1.377 50 H HN 0.640 nan 8.280 nan 0.000 0.504 51 E N -0.559 119.660 120.200 0.031 0.000 2.077 51 E HA -0.192 4.159 4.350 0.001 0.000 0.193 51 E C 1.799 178.491 176.600 0.154 0.000 0.989 51 E CA 1.053 57.499 56.400 0.075 0.000 0.800 51 E CB -0.155 29.581 29.700 0.061 0.000 0.746 51 E HN 0.614 nan 8.360 nan 0.000 0.452 52 W N 1.521 122.834 121.300 0.022 0.000 2.388 52 W HA -0.046 4.614 4.660 0.001 0.000 0.294 52 W C 2.012 178.511 176.519 -0.034 0.000 1.212 52 W CA 0.392 57.735 57.345 -0.004 0.000 1.271 52 W CB -0.730 28.731 29.460 0.003 0.000 1.126 52 W HN 0.089 nan 8.180 nan 0.000 0.535 53 E N 0.126 120.412 120.200 0.142 0.000 2.077 53 E HA -0.204 4.146 4.350 0.001 0.000 0.193 53 E C 2.140 178.726 176.600 -0.022 0.000 0.989 53 E CA 1.160 57.577 56.400 0.028 0.000 0.800 53 E CB -0.434 29.224 29.700 -0.069 0.000 0.746 53 E HN 0.314 nan 8.360 nan 0.000 0.452 54 R N 0.272 120.724 120.500 -0.080 0.000 2.092 54 R HA -0.043 4.297 4.340 0.001 0.000 0.231 54 R C 2.162 178.472 176.300 0.017 0.000 1.119 54 R CA 1.157 57.223 56.100 -0.057 0.000 0.970 54 R CB -0.068 30.191 30.300 -0.069 0.000 0.864 54 R HN 0.100 nan 8.270 nan 0.000 0.440 55 A N -0.501 122.356 122.820 0.062 0.000 2.014 55 A HA 0.118 4.439 4.320 0.001 0.000 0.218 55 A C 1.536 179.147 177.584 0.045 0.000 1.163 55 A CA 1.127 53.204 52.037 0.067 0.000 0.652 55 A CB -0.325 18.741 19.000 0.109 0.000 0.808 55 A HN 0.555 nan 8.150 nan 0.000 0.449 56 G N -0.731 108.100 108.800 0.052 0.000 2.143 56 G HA2 -0.211 3.750 3.960 0.001 0.000 0.249 56 G HA3 -0.211 3.750 3.960 0.001 0.000 0.249 56 G C -0.151 174.761 174.900 0.019 0.000 0.981 56 G CA 0.716 45.839 45.100 0.039 0.000 0.665 56 G HN 1.319 nan 8.290 nan 0.000 0.528 57 E N -1.011 119.192 120.200 0.005 0.000 2.409 57 E HA 0.616 4.966 4.350 0.001 0.000 0.280 57 E C -0.250 176.230 176.600 -0.200 0.000 1.079 57 E CA -1.027 55.329 56.400 -0.073 0.000 0.840 57 E CB 1.291 30.939 29.700 -0.086 0.000 1.309 57 E HN 0.881 nan 8.360 nan 0.000 0.447 58 I N -2.195 118.168 120.570 -0.346 0.000 2.607 58 I HA 0.622 4.793 4.170 0.001 0.000 0.305 58 I C -2.603 173.167 176.117 -0.579 0.000 0.995 58 I CA -2.755 58.077 61.300 -0.779 0.000 1.148 58 I CB 1.524 39.061 38.000 -0.771 0.000 1.323 58 I HN 0.272 nan 8.210 nan 0.000 0.461 59 P HA 0.272 nan 4.420 nan 0.000 0.271 59 P C -0.017 177.165 177.300 -0.197 0.000 1.216 59 P CA -0.278 62.611 63.100 -0.351 0.000 0.776 59 P CB 0.681 32.209 31.700 -0.287 0.000 0.881 60 R N 1.423 121.838 120.500 -0.141 0.000 2.139 60 R HA -0.220 4.120 4.340 0.001 0.000 0.243 60 R C 1.808 178.099 176.300 -0.015 0.000 1.145 60 R CA 1.519 57.552 56.100 -0.111 0.000 0.976 60 R CB -0.368 29.845 30.300 -0.145 0.000 0.866 60 R HN 0.536 nan 8.270 nan 0.000 0.449 61 E N 1.102 121.281 120.200 -0.035 0.000 2.209 61 E HA -0.184 4.167 4.350 0.001 0.000 0.196 61 E C 1.672 178.291 176.600 0.033 0.000 0.993 61 E CA 0.703 57.103 56.400 -0.001 0.000 0.819 61 E CB -0.122 29.573 29.700 -0.008 0.000 0.745 61 E HN 0.158 nan 8.360 nan 0.000 0.477 62 L N 0.280 121.505 121.223 0.003 0.000 2.201 62 L HA -0.151 4.190 4.340 0.001 0.000 0.212 62 L C 1.924 178.794 176.870 -0.001 0.000 1.105 62 L CA 1.777 56.627 54.840 0.016 0.000 0.775 62 L CB -0.403 41.584 42.059 -0.121 0.000 0.913 62 L HN 0.323 nan 8.230 nan 0.000 0.440 63 H N -0.914 118.095 119.070 -0.101 0.000 2.357 63 H HA -0.142 4.415 4.556 0.001 0.000 0.301 63 H C 2.232 177.509 175.328 -0.086 0.000 1.082 63 H CA 1.569 57.536 56.048 -0.133 0.000 1.342 63 H CB 0.091 29.765 29.762 -0.146 0.000 1.389 63 H HN 0.348 nan 8.280 nan 0.000 0.511 64 R N 1.662 122.208 120.500 0.076 0.000 2.081 64 R HA -0.117 4.223 4.340 0.001 0.000 0.235 64 R C 2.035 178.358 176.300 0.039 0.000 1.131 64 R CA 1.345 57.469 56.100 0.039 0.000 0.960 64 R CB 0.106 30.426 30.300 0.033 0.000 0.856 64 R HN 0.233 nan 8.270 nan 0.000 0.436 65 K N -0.149 120.300 120.400 0.082 0.000 2.057 65 K HA -0.064 4.256 4.320 0.001 0.000 0.206 65 K C 2.103 178.746 176.600 0.071 0.000 1.050 65 K CA 1.335 57.710 56.287 0.147 0.000 0.935 65 K CB -0.123 32.547 32.500 0.283 0.000 0.715 65 K HN 0.203 nan 8.250 nan 0.000 0.439 66 A N 1.532 124.322 122.820 -0.049 0.000 1.902 66 A HA -0.121 4.199 4.320 0.001 0.000 0.217 66 A C 2.373 179.810 177.584 -0.245 0.000 1.181 66 A CA 1.863 53.653 52.037 -0.412 0.000 0.623 66 A CB -0.721 17.965 19.000 -0.524 0.000 0.818 66 A HN 0.331 nan 8.150 nan 0.000 0.443 67 A N -0.335 122.406 122.820 -0.132 0.000 1.969 67 A HA -0.144 4.176 4.320 0.001 0.000 0.218 67 A C 1.867 179.427 177.584 -0.041 0.000 1.169 67 A CA 1.499 53.495 52.037 -0.068 0.000 0.635 67 A CB -0.470 18.512 19.000 -0.030 0.000 0.810 67 A HN 0.630 nan 8.150 nan 0.000 0.445 68 E N -0.511 119.672 120.200 -0.028 0.000 2.338 68 E HA -0.036 4.314 4.350 0.001 0.000 0.197 68 E C 1.098 177.691 176.600 -0.011 0.000 1.007 68 E CA 0.532 56.929 56.400 -0.005 0.000 0.849 68 E CB -0.127 29.584 29.700 0.019 0.000 0.774 68 E HN 0.616 nan 8.360 nan 0.000 0.506 69 L N -0.488 120.708 121.223 -0.045 0.000 2.628 69 L HA 0.188 4.529 4.340 0.001 0.000 0.229 69 L C 1.258 178.102 176.870 -0.042 0.000 1.137 69 L CA 0.154 54.966 54.840 -0.047 0.000 0.909 69 L CB 0.294 42.295 42.059 -0.097 0.000 1.137 69 L HN 0.194 nan 8.230 nan 0.000 0.470 70 G N 0.189 108.969 108.800 -0.033 0.000 2.155 70 G HA2 -0.308 3.653 3.960 0.001 0.000 0.257 70 G HA3 -0.308 3.653 3.960 0.001 0.000 0.257 70 G C 0.876 175.783 174.900 0.011 0.000 0.983 70 G CA 0.587 45.685 45.100 -0.003 0.000 0.676 70 G HN 0.347 nan 8.290 nan 0.000 0.528 71 L N -0.558 120.649 121.223 -0.027 0.000 2.072 71 L HA 0.105 4.446 4.340 0.001 0.000 0.205 71 L C 3.011 180.004 176.870 0.206 0.000 1.079 71 L CA 1.234 56.112 54.840 0.063 0.000 0.752 71 L CB -0.495 41.555 42.059 -0.015 0.000 0.906 71 L HN 0.310 nan 8.230 nan 0.000 0.436 72 L N -0.125 121.135 121.223 0.061 0.000 2.083 72 L HA -0.105 4.235 4.340 0.001 0.000 0.209 72 L C 2.401 179.425 176.870 0.257 0.000 1.083 72 L CA 1.360 56.257 54.840 0.095 0.000 0.752 72 L CB -1.004 41.021 42.059 -0.056 0.000 0.899 72 L HN 0.328 nan 8.230 nan 0.000 0.433 73 G N -0.279 108.642 108.800 0.201 0.000 2.920 73 G HA2 0.208 4.169 3.960 0.001 0.000 0.208 73 G HA3 0.208 4.169 3.960 0.001 0.000 0.208 73 G C 0.714 175.765 174.900 0.252 0.000 1.159 73 G CA 0.274 45.549 45.100 0.292 0.000 0.784 73 G HN 0.347 nan 8.290 nan 0.000 0.535 74 A N -0.243 122.660 122.820 0.138 0.000 2.520 74 A HA 0.489 4.809 4.320 0.001 0.000 0.245 74 A C 1.738 179.226 177.584 -0.160 0.000 1.072 74 A CA 0.865 52.910 52.037 0.014 0.000 0.761 74 A CB -0.242 18.769 19.000 0.019 0.000 1.004 74 A HN 1.575 nan 8.150 nan 0.000 0.499 75 G N 0.856 109.561 108.800 -0.157 0.000 2.179 75 G HA2 -0.236 3.725 3.960 0.001 0.000 0.260 75 G HA3 -0.236 3.725 3.960 0.001 0.000 0.260 75 G C -0.086 174.619 174.900 -0.325 0.000 0.977 75 G CA 0.555 45.495 45.100 -0.267 0.000 0.641 75 G HN 0.695 nan 8.290 nan 0.000 0.533 76 F N 2.152 122.112 119.950 0.016 0.000 2.450 76 F HA 0.572 5.100 4.527 0.001 0.000 0.332 76 F C -1.623 174.181 175.800 0.006 0.000 1.093 76 F CA -2.822 55.186 58.000 0.013 0.000 1.003 76 F CB 1.515 40.528 39.000 0.022 0.000 1.151 76 F HN -0.186 nan 8.300 nan 0.000 0.474 77 P HA 0.041 nan 4.420 nan 0.000 0.266 77 P C 0.122 177.477 177.300 0.091 0.000 1.195 77 P CA 0.169 63.334 63.100 0.110 0.000 0.768 77 P CB 0.707 32.456 31.700 0.081 0.000 0.838 78 E N 1.433 121.668 120.200 0.058 0.000 2.209 78 E HA -0.219 4.131 4.350 0.001 0.000 0.196 78 E C 1.112 177.730 176.600 0.030 0.000 0.993 78 E CA 1.508 57.934 56.400 0.043 0.000 0.819 78 E CB -0.216 29.501 29.700 0.028 0.000 0.745 78 E HN 0.618 nan 8.360 nan 0.000 0.477 79 D N 0.114 120.530 120.400 0.026 0.000 2.371 79 D HA -0.062 4.579 4.640 0.001 0.000 0.221 79 D C 1.187 177.492 176.300 0.007 0.000 0.986 79 D CA 0.766 54.774 54.000 0.013 0.000 0.899 79 D CB 0.062 40.868 40.800 0.010 0.000 0.902 79 D HN 0.132 nan 8.370 nan 0.000 0.530 80 A N -0.588 122.241 122.820 0.014 0.000 2.387 80 A HA 0.626 4.946 4.320 0.001 0.000 0.234 80 A C 1.785 179.359 177.584 -0.016 0.000 1.253 80 A CA 0.247 52.279 52.037 -0.009 0.000 0.894 80 A CB -0.171 18.819 19.000 -0.016 0.000 0.963 80 A HN 0.492 nan 8.150 nan 0.000 0.508 81 G N -1.535 107.269 108.800 0.006 0.000 2.176 81 G HA2 -0.036 3.925 3.960 0.001 0.000 0.232 81 G HA3 -0.036 3.925 3.960 0.001 0.000 0.232 81 G C 0.765 175.689 174.900 0.041 0.000 0.986 81 G CA 0.208 45.314 45.100 0.009 0.000 0.643 81 G HN 1.315 nan 8.290 nan 0.000 0.522 82 G N -0.204 108.644 108.800 0.080 0.000 2.621 82 G HA2 0.566 4.526 3.960 0.001 0.000 0.271 82 G HA3 0.566 4.526 3.960 0.001 0.000 0.271 82 G C 1.070 176.031 174.900 0.101 0.000 1.236 82 G CA 0.910 46.102 45.100 0.153 0.000 0.958 82 G HN 1.332 nan 8.290 nan 0.000 0.512 83 S N -1.258 114.504 115.700 0.103 0.000 2.568 83 S HA 0.477 4.948 4.470 0.001 0.000 0.232 83 S C 1.284 175.907 174.600 0.039 0.000 0.975 83 S CA 0.605 58.839 58.200 0.057 0.000 0.949 83 S CB -0.362 62.866 63.200 0.047 0.000 0.829 83 S HN 2.256 nan 8.310 nan 0.000 0.479 84 G N 1.102 109.931 108.800 0.048 0.000 2.569 84 G HA2 0.259 4.220 3.960 0.001 0.000 0.259 84 G HA3 0.259 4.220 3.960 0.001 0.000 0.259 84 G C 0.552 175.445 174.900 -0.011 0.000 1.263 84 G CA -0.248 44.864 45.100 0.020 0.000 0.928 84 G HN 1.985 nan 8.290 nan 0.000 0.572 85 G N -1.000 107.784 108.800 -0.026 0.000 2.553 85 G HA2 0.431 4.391 3.960 0.001 0.000 0.242 85 G HA3 0.431 4.391 3.960 0.001 0.000 0.242 85 G C -0.220 174.637 174.900 -0.071 0.000 1.277 85 G CA 1.124 46.193 45.100 -0.052 0.000 0.910 85 G HN 2.844 nan 8.290 nan 0.000 0.576 86 D N -2.746 117.596 120.400 -0.097 0.000 2.798 86 D HA 0.577 5.217 4.640 0.001 0.000 0.308 86 D C 1.397 177.622 176.300 -0.124 0.000 1.187 86 D CA 0.631 54.566 54.000 -0.108 0.000 1.033 86 D CB 0.473 41.209 40.800 -0.108 0.000 1.445 86 D HN 1.321 nan 8.370 nan 0.000 0.550 87 G N -0.783 107.950 108.800 -0.112 0.000 2.501 87 G HA2 -0.031 3.929 3.960 0.001 0.000 0.220 87 G HA3 -0.031 3.929 3.960 0.001 0.000 0.220 87 G C 1.265 176.141 174.900 -0.041 0.000 1.114 87 G CA 0.998 46.046 45.100 -0.087 0.000 0.757 87 G HN 0.651 nan 8.290 nan 0.000 0.559 88 A N 0.800 123.560 122.820 -0.101 0.000 2.014 88 A HA 0.011 4.332 4.320 0.001 0.000 0.218 88 A C 2.053 179.629 177.584 -0.012 0.000 1.163 88 A CA 1.687 53.650 52.037 -0.122 0.000 0.652 88 A CB -0.177 18.433 19.000 -0.649 0.000 0.808 88 A HN 0.285 nan 8.150 nan 0.000 0.449 89 D N 0.043 120.404 120.400 -0.064 0.000 2.097 89 D HA -0.102 4.538 4.640 0.001 0.000 0.195 89 D C -0.537 175.755 176.300 -0.013 0.000 0.989 89 D CA 1.617 55.597 54.000 -0.034 0.000 0.827 89 D CB -1.445 39.321 40.800 -0.055 0.000 0.966 89 D HN 0.307 nan 8.370 nan 0.000 0.456 90 P HA -0.077 nan 4.420 nan 0.000 0.218 90 P C 1.900 179.178 177.300 -0.036 0.000 1.148 90 P CA 0.591 63.663 63.100 -0.048 0.000 0.822 90 P CB 0.025 31.681 31.700 -0.073 0.000 0.784 91 V N -0.243 119.694 119.914 0.037 0.000 2.307 91 V HA -0.189 3.931 4.120 0.001 0.000 0.245 91 V C 2.619 178.736 176.094 0.038 0.000 1.045 91 V CA 1.637 63.972 62.300 0.058 0.000 1.024 91 V CB -1.212 30.746 31.823 0.225 0.000 0.651 91 V HN -0.043 nan 8.190 nan 0.000 0.449 92 V N -0.024 119.976 119.914 0.144 0.000 2.332 92 V HA -0.287 3.833 4.120 0.001 0.000 0.248 92 V C 2.180 178.265 176.094 -0.015 0.000 1.055 92 V CA 2.331 64.697 62.300 0.110 0.000 1.038 92 V CB -0.514 31.404 31.823 0.158 0.000 0.651 92 V HN 0.452 nan 8.190 nan 0.000 0.450 93 I N -0.684 119.863 120.570 -0.038 0.000 2.226 93 I HA -0.282 3.888 4.170 0.001 0.000 0.245 93 I C 2.676 178.703 176.117 -0.150 0.000 1.100 93 I CA 1.642 62.900 61.300 -0.070 0.000 1.374 93 I CB -0.510 37.442 38.000 -0.081 0.000 1.057 93 I HN 0.452 nan 8.210 nan 0.000 0.413 94 C N 1.292 120.442 119.300 -0.250 0.000 2.432 94 C HA -0.153 4.308 4.460 0.001 0.000 0.277 94 C C 2.676 177.456 174.990 -0.350 0.000 1.249 94 C CA 1.209 59.947 59.018 -0.467 0.000 1.725 94 C CB -0.954 26.394 27.740 -0.654 0.000 2.028 94 C HN 0.468 nan 8.230 nan 0.000 0.477 95 E N 0.113 120.069 120.200 -0.408 0.000 2.033 95 E HA -0.230 4.121 4.350 0.001 0.000 0.199 95 E C 2.214 178.334 176.600 -0.800 0.000 1.011 95 E CA 1.678 57.658 56.400 -0.699 0.000 0.815 95 E CB -0.263 29.082 29.700 -0.592 0.000 0.755 95 E HN 0.640 nan 8.360 nan 0.000 0.451 96 E N 0.118 120.086 120.200 -0.388 0.000 2.106 96 E HA -0.148 4.202 4.350 0.001 0.000 0.192 96 E C 2.095 178.684 176.600 -0.017 0.000 0.984 96 E CA 0.756 57.079 56.400 -0.128 0.000 0.806 96 E CB -0.133 29.586 29.700 0.032 0.000 0.750 96 E HN 0.303 nan 8.360 nan 0.000 0.458 97 M N 0.082 119.665 119.600 -0.028 0.000 2.080 97 M HA -0.170 4.311 4.480 0.001 0.000 0.260 97 M C 2.010 178.248 176.300 -0.103 0.000 1.068 97 M CA 1.658 56.956 55.300 -0.004 0.000 1.109 97 M CB -1.142 31.471 32.600 0.022 0.000 1.342 97 M HN 0.209 nan 8.290 nan 0.000 0.405 98 H N -1.549 117.461 119.070 -0.099 0.000 2.403 98 H HA -0.068 4.488 4.556 0.001 0.000 0.298 98 H C 1.733 177.129 175.328 0.113 0.000 1.059 98 H CA 1.260 57.287 56.048 -0.035 0.000 1.363 98 H CB -0.200 29.480 29.762 -0.136 0.000 1.410 98 H HN 0.263 nan 8.280 nan 0.000 0.528 99 Y N 0.490 120.859 120.300 0.115 0.000 2.256 99 Y HA -0.084 4.466 4.550 0.001 0.000 0.288 99 Y C 2.499 178.442 175.900 0.072 0.000 1.155 99 Y CA 0.728 58.881 58.100 0.089 0.000 1.203 99 Y CB -0.912 37.598 38.460 0.083 0.000 0.980 99 Y HN 0.258 nan 8.280 nan 0.000 0.530 100 A N -0.945 122.005 122.820 0.217 0.000 2.167 100 A HA 0.355 4.675 4.320 0.001 0.000 0.214 100 A C 2.082 179.718 177.584 0.086 0.000 1.151 100 A CA 1.138 53.255 52.037 0.133 0.000 0.735 100 A CB -0.792 18.272 19.000 0.108 0.000 0.802 100 A HN 0.594 nan 8.150 nan 0.000 0.467 101 G N -1.324 107.526 108.800 0.084 0.000 2.163 101 G HA2 -0.178 3.783 3.960 0.001 0.000 0.213 101 G HA3 -0.178 3.783 3.960 0.001 0.000 0.213 101 G C 0.245 175.153 174.900 0.014 0.000 0.991 101 G CA 0.146 45.278 45.100 0.054 0.000 0.653 101 G HN 0.587 nan 8.290 nan 0.000 0.518 102 S N 2.118 117.805 115.700 -0.022 0.000 2.549 102 S HA 0.416 4.886 4.470 0.001 0.000 0.286 102 S C -1.779 172.783 174.600 -0.062 0.000 1.314 102 S CA -0.309 57.861 58.200 -0.050 0.000 1.062 102 S CB 1.028 64.182 63.200 -0.077 0.000 0.865 102 S HN 0.299 nan 8.310 nan 0.000 0.498 103 P HA 0.109 nan 4.420 nan 0.000 0.268 103 P C 1.135 178.430 177.300 -0.008 0.000 1.205 103 P CA -0.076 63.043 63.100 0.032 0.000 0.771 103 P CB 0.275 32.012 31.700 0.061 0.000 0.858 104 G N 2.808 111.669 108.800 0.103 0.000 2.475 104 G HA2 -0.255 3.705 3.960 0.001 0.000 0.220 104 G HA3 -0.255 3.705 3.960 0.001 0.000 0.220 104 G C 1.649 176.262 174.900 -0.478 0.000 1.125 104 G CA 0.961 46.139 45.100 0.129 0.000 0.755 104 G HN 0.634 nan 8.290 nan 0.000 0.565 105 G N 0.058 108.585 108.800 -0.454 0.000 2.421 105 G HA2 -0.031 3.929 3.960 0.001 0.000 0.217 105 G HA3 -0.031 3.929 3.960 0.001 0.000 0.217 105 G C 1.721 176.439 174.900 -0.303 0.000 1.143 105 G CA 0.980 45.741 45.100 -0.566 0.000 0.784 105 G HN 0.327 nan 8.290 nan 0.000 0.541 106 V N -0.060 119.786 119.914 -0.114 0.000 2.295 106 V HA -0.208 3.913 4.120 0.001 0.000 0.246 106 V C 2.246 178.310 176.094 -0.050 0.000 1.049 106 V CA 1.790 64.077 62.300 -0.021 0.000 1.024 106 V CB -0.732 31.171 31.823 0.133 0.000 0.648 106 V HN 0.473 nan 8.190 nan 0.000 0.447 107 Y N 1.357 121.595 120.300 -0.105 0.000 2.128 107 Y HA -0.281 4.269 4.550 0.001 0.000 0.284 107 Y C 2.398 178.290 175.900 -0.012 0.000 1.154 107 Y CA 1.856 59.969 58.100 0.022 0.000 1.149 107 Y CB -0.544 37.894 38.460 -0.036 0.000 0.976 107 Y HN 0.157 nan 8.280 nan 0.000 0.505 108 A N -1.259 121.388 122.820 -0.288 0.000 1.902 108 A HA -0.168 4.152 4.320 0.001 0.000 0.217 108 A C 2.434 179.864 177.584 -0.256 0.000 1.181 108 A CA 2.078 53.870 52.037 -0.407 0.000 0.623 108 A CB -1.088 17.208 19.000 -1.172 0.000 0.818 108 A HN 0.458 nan 8.150 nan 0.000 0.443 109 S N -1.191 114.364 115.700 -0.241 0.000 2.446 109 S HA 0.040 4.510 4.470 0.001 0.000 0.225 109 S C 1.715 176.232 174.600 -0.138 0.000 1.016 109 S CA 0.774 58.894 58.200 -0.133 0.000 0.943 109 S CB -0.143 62.994 63.200 -0.105 0.000 0.786 109 S HN 0.446 nan 8.310 nan 0.000 0.508 110 L N 0.307 121.352 121.223 -0.297 0.000 2.095 110 L HA 0.282 4.622 4.340 0.001 0.000 0.204 110 L C 0.580 177.039 176.870 -0.685 0.000 1.080 110 L CA 1.806 56.254 54.840 -0.653 0.000 0.759 110 L CB -0.400 41.280 42.059 -0.631 0.000 0.914 110 L HN 0.238 nan 8.230 nan 0.000 0.439 111 F N -0.838 118.847 119.950 -0.442 0.000 2.730 111 F HA 0.188 4.715 4.527 0.001 0.000 0.295 111 F C 1.750 177.445 175.800 -0.175 0.000 1.143 111 F CA -0.012 57.765 58.000 -0.373 0.000 1.367 111 F CB -0.654 37.907 39.000 -0.732 0.000 0.970 111 F HN -0.111 nan 8.300 nan 0.000 0.514 112 T N -1.237 113.315 114.554 -0.002 0.000 2.929 112 T HA -0.241 4.109 4.350 0.001 0.000 0.271 112 T C 2.259 177.014 174.700 0.093 0.000 1.085 112 T CA 1.437 63.568 62.100 0.052 0.000 1.125 112 T CB -0.746 68.136 68.868 0.024 0.000 0.874 112 T HN 0.696 nan 8.240 nan 0.000 0.494 113 C N 1.731 121.088 119.300 0.094 0.000 2.403 113 C HA 0.040 4.501 4.460 0.001 0.000 0.279 113 C C 2.934 178.045 174.990 0.202 0.000 1.269 113 C CA -0.035 59.052 59.018 0.115 0.000 1.774 113 C CB -1.740 26.059 27.740 0.099 0.000 1.993 113 C HN 0.512 nan 8.230 nan 0.000 0.496 114 G N 2.048 111.019 108.800 0.285 0.000 2.469 114 G HA2 -0.175 3.786 3.960 0.001 0.000 0.220 114 G HA3 -0.175 3.786 3.960 0.001 0.000 0.220 114 G C 1.505 176.564 174.900 0.265 0.000 1.136 114 G CA 1.445 46.752 45.100 0.346 0.000 0.759 114 G HN 0.885 nan 8.290 nan 0.000 0.562 115 I N -3.022 117.675 120.570 0.211 0.000 3.708 115 I HA 0.524 4.694 4.170 0.001 0.000 0.302 115 I C 2.437 178.689 176.117 0.226 0.000 1.255 115 I CA 0.750 62.176 61.300 0.211 0.000 1.362 115 I CB 0.263 38.403 38.000 0.233 0.000 1.100 115 I HN 0.061 nan 8.210 nan 0.000 0.434 116 A N 1.789 124.712 122.820 0.172 0.000 1.975 116 A HA 0.097 4.418 4.320 0.001 0.000 0.215 116 A C 2.243 179.943 177.584 0.195 0.000 1.170 116 A CA 1.422 53.561 52.037 0.170 0.000 0.656 116 A CB -0.447 18.600 19.000 0.078 0.000 0.821 116 A HN 0.444 nan 8.150 nan 0.000 0.449 117 V N -3.623 116.342 119.914 0.084 0.000 3.644 117 V HA 0.147 4.267 4.120 0.001 0.000 0.267 117 V C -0.713 175.327 176.094 -0.090 0.000 1.277 117 V CA 0.570 62.855 62.300 -0.025 0.000 1.096 117 V CB -0.275 31.416 31.823 -0.221 0.000 0.828 117 V HN 0.312 nan 8.190 nan 0.000 0.446 118 P HA -0.105 nan 4.420 nan 0.000 0.219 118 P C 1.076 178.276 177.300 -0.167 0.000 1.150 118 P CA 1.845 64.875 63.100 -0.118 0.000 0.814 118 P CB -0.100 31.544 31.700 -0.093 0.000 0.787 119 H N -0.563 118.508 119.070 0.002 0.000 2.357 119 H HA 0.036 4.593 4.556 0.001 0.000 0.301 119 H C 2.365 177.677 175.328 -0.027 0.000 1.082 119 H CA 1.329 57.364 56.048 -0.023 0.000 1.342 119 H CB -1.116 28.618 29.762 -0.046 0.000 1.389 119 H HN 0.039 nan 8.280 nan 0.000 0.511 120 M N -0.024 119.636 119.600 0.099 0.000 2.117 120 M HA -0.109 4.372 4.480 0.001 0.000 0.262 120 M C 2.074 178.378 176.300 0.006 0.000 1.065 120 M CA 1.477 56.797 55.300 0.033 0.000 1.114 120 M CB -0.216 32.392 32.600 0.012 0.000 1.361 120 M HN 0.223 nan 8.290 nan 0.000 0.408 121 I N 0.188 120.746 120.570 -0.019 0.000 2.179 121 I HA -0.249 3.922 4.170 0.001 0.000 0.242 121 I C 2.649 178.769 176.117 0.006 0.000 1.088 121 I CA 1.256 62.545 61.300 -0.019 0.000 1.357 121 I CB -0.535 37.446 38.000 -0.033 0.000 1.051 121 I HN 0.250 nan 8.210 nan 0.000 0.409 122 A N 0.552 123.379 122.820 0.011 0.000 2.070 122 A HA -0.199 4.122 4.320 0.001 0.000 0.220 122 A C 2.442 180.034 177.584 0.013 0.000 1.159 122 A CA 1.845 53.890 52.037 0.014 0.000 0.656 122 A CB -0.706 18.298 19.000 0.007 0.000 0.800 122 A HN 0.547 nan 8.150 nan 0.000 0.453 123 S N -1.246 114.464 115.700 0.016 0.000 2.447 123 S HA 0.214 4.685 4.470 0.001 0.000 0.233 123 S C 1.693 176.297 174.600 0.006 0.000 1.006 123 S CA 1.374 59.581 58.200 0.011 0.000 0.957 123 S CB -0.783 62.424 63.200 0.011 0.000 0.773 123 S HN 1.949 nan 8.310 nan 0.000 0.507 124 G N 1.275 110.078 108.800 0.005 0.000 2.168 124 G HA2 -0.279 3.682 3.960 0.001 0.000 0.263 124 G HA3 -0.279 3.682 3.960 0.001 0.000 0.263 124 G C -0.176 174.723 174.900 -0.000 0.000 0.977 124 G CA 0.360 45.462 45.100 0.002 0.000 0.659 124 G HN 0.693 nan 8.290 nan 0.000 0.533 125 D N 0.451 120.852 120.400 0.001 0.000 2.344 125 D HA 0.283 4.923 4.640 0.001 0.000 0.253 125 D C 1.666 177.964 176.300 -0.005 0.000 1.255 125 D CA -0.333 53.667 54.000 -0.000 0.000 0.894 125 D CB 0.598 41.401 40.800 0.005 0.000 1.067 125 D HN 0.211 nan 8.370 nan 0.000 0.492 126 Q N 3.361 123.154 119.800 -0.010 0.000 2.226 126 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 126 Q C 1.813 177.797 176.000 -0.028 0.000 0.975 126 Q CA 0.786 56.578 55.803 -0.018 0.000 0.866 126 Q CB -0.079 28.648 28.738 -0.019 0.000 0.915 126 Q HN 0.600 nan 8.270 nan 0.000 0.440 127 R N 0.444 120.929 120.500 -0.025 0.000 2.066 127 R HA -0.061 4.280 4.340 0.001 0.000 0.232 127 R C 2.330 178.606 176.300 -0.040 0.000 1.131 127 R CA 0.806 56.882 56.100 -0.040 0.000 0.955 127 R CB -0.147 30.136 30.300 -0.029 0.000 0.851 127 R HN 0.213 nan 8.270 nan 0.000 0.432 128 L N 0.449 121.681 121.223 0.014 0.000 2.046 128 L HA -0.186 4.155 4.340 0.001 0.000 0.208 128 L C 2.472 179.362 176.870 0.033 0.000 1.077 128 L CA 1.205 56.099 54.840 0.090 0.000 0.747 128 L CB -0.381 41.728 42.059 0.083 0.000 0.896 128 L HN 0.262 nan 8.230 nan 0.000 0.432 129 I N -0.083 120.481 120.570 -0.010 0.000 2.179 129 I HA -0.298 3.873 4.170 0.001 0.000 0.242 129 I C 2.053 178.133 176.117 -0.060 0.000 1.088 129 I CA 1.322 62.602 61.300 -0.032 0.000 1.357 129 I CB -0.345 37.638 38.000 -0.029 0.000 1.051 129 I HN 0.249 nan 8.210 nan 0.000 0.409 130 D N 0.086 120.440 120.400 -0.076 0.000 2.149 130 D HA -0.113 4.528 4.640 0.001 0.000 0.201 130 D C 2.228 178.428 176.300 -0.165 0.000 0.972 130 D CA 1.376 55.316 54.000 -0.099 0.000 0.835 130 D CB -0.210 40.537 40.800 -0.089 0.000 0.966 130 D HN 0.245 nan 8.370 nan 0.000 0.476 131 T N -0.765 113.632 114.554 -0.262 0.000 2.937 131 T HA -0.023 4.327 4.350 0.001 0.000 0.260 131 T C 1.184 175.483 174.700 -0.669 0.000 1.051 131 T CA 0.830 62.622 62.100 -0.513 0.000 1.141 131 T CB 0.107 68.531 68.868 -0.739 0.000 0.879 131 T HN 0.154 nan 8.240 nan 0.000 0.459 132 Y N -0.476 119.687 120.300 -0.228 0.000 2.678 132 Y HA 0.321 4.872 4.550 0.001 0.000 0.274 132 Y C 2.306 178.084 175.900 -0.203 0.000 1.114 132 Y CA -0.411 57.459 58.100 -0.384 0.000 1.274 132 Y CB -0.426 37.612 38.460 -0.703 0.000 1.438 132 Y HN -0.122 nan 8.280 nan 0.000 0.493 133 V N 0.940 120.854 119.914 -0.001 0.000 2.244 133 V HA -0.261 3.860 4.120 0.001 0.000 0.244 133 V C 2.418 178.488 176.094 -0.039 0.000 1.042 133 V CA 2.363 64.645 62.300 -0.030 0.000 1.006 133 V CB -0.621 31.155 31.823 -0.078 0.000 0.641 133 V HN 0.266 nan 8.190 nan 0.000 0.446 134 R N 0.540 121.011 120.500 -0.048 0.000 2.083 134 R HA -0.166 4.174 4.340 0.001 0.000 0.237 134 R C -0.062 176.225 176.300 -0.022 0.000 1.137 134 R CA 2.126 58.203 56.100 -0.038 0.000 0.951 134 R CB -1.358 28.918 30.300 -0.040 0.000 0.851 134 R HN 0.421 nan 8.270 nan 0.000 0.434 135 P HA -0.069 nan 4.420 nan 0.000 0.218 135 P C 0.777 178.094 177.300 0.030 0.000 1.148 135 P CA 1.553 64.649 63.100 -0.006 0.000 0.822 135 P CB 0.024 31.711 31.700 -0.022 0.000 0.784 136 T N -0.491 114.101 114.554 0.064 0.000 2.777 136 T HA -0.037 4.314 4.350 0.001 0.000 0.266 136 T C 1.650 176.375 174.700 0.041 0.000 1.040 136 T CA 1.008 63.161 62.100 0.088 0.000 1.141 136 T CB -0.783 68.183 68.868 0.162 0.000 0.868 136 T HN 0.083 nan 8.240 nan 0.000 0.444 137 L N 0.417 121.646 121.223 0.011 0.000 2.291 137 L HA 0.069 4.410 4.340 0.001 0.000 0.214 137 L C 2.510 179.389 176.870 0.015 0.000 1.120 137 L CA 0.723 55.571 54.840 0.013 0.000 0.799 137 L CB -0.337 41.720 42.059 -0.004 0.000 0.925 137 L HN 0.068 nan 8.230 nan 0.000 0.446 138 R N 0.407 120.913 120.500 0.009 0.000 2.310 138 R HA 0.116 4.457 4.340 0.001 0.000 0.202 138 R C 1.278 177.582 176.300 0.007 0.000 0.933 138 R CA 0.768 56.870 56.100 0.005 0.000 1.054 138 R CB 0.035 30.335 30.300 -0.001 0.000 0.985 138 R HN 0.419 nan 8.270 nan 0.000 0.489 139 G N 1.484 110.295 108.800 0.018 0.000 2.143 139 G HA2 -0.260 3.701 3.960 0.001 0.000 0.248 139 G HA3 -0.260 3.701 3.960 0.001 0.000 0.248 139 G C 0.698 175.604 174.900 0.011 0.000 0.991 139 G CA 0.406 45.529 45.100 0.038 0.000 0.689 139 G HN 0.287 nan 8.290 nan 0.000 0.522 140 E N -0.203 119.995 120.200 -0.002 0.000 2.250 140 E HA 0.097 4.448 4.350 0.001 0.000 0.192 140 E C 1.247 177.833 176.600 -0.024 0.000 0.986 140 E CA 0.801 57.192 56.400 -0.016 0.000 0.849 140 E CB 0.308 30.001 29.700 -0.011 0.000 0.797 140 E HN 0.633 nan 8.360 nan 0.000 0.482 141 K N 0.410 120.808 120.400 -0.003 0.000 2.395 141 K HA 0.563 4.883 4.320 0.001 0.000 0.247 141 K C -0.447 176.130 176.600 -0.038 0.000 0.973 141 K CA -0.654 55.648 56.287 0.025 0.000 0.828 141 K CB 2.417 35.018 32.500 0.168 0.000 1.272 141 K HN -0.162 nan 8.250 nan 0.000 0.439 142 I N 1.180 121.683 120.570 -0.112 0.000 2.389 142 I HA 0.323 4.494 4.170 0.001 0.000 0.288 142 I C 0.203 176.103 176.117 -0.363 0.000 0.999 142 I CA -0.600 60.557 61.300 -0.237 0.000 1.129 142 I CB 1.984 39.768 38.000 -0.360 0.000 1.288 142 I HN 0.642 nan 8.210 nan 0.000 0.444 143 G N 4.117 112.653 108.800 -0.440 0.000 2.417 143 G HA2 0.815 4.775 3.960 0.001 0.000 0.334 143 G HA3 0.815 4.775 3.960 0.001 0.000 0.334 143 G C -1.102 173.550 174.900 -0.414 0.000 1.150 143 G CA -0.448 44.085 45.100 -0.945 0.000 0.923 143 G HN 0.740 nan 8.290 nan 0.000 0.485 144 A N 0.308 122.907 122.820 -0.368 0.000 2.479 144 A HA 0.789 5.109 4.320 0.001 0.000 0.296 144 A C -1.525 176.044 177.584 -0.024 0.000 1.121 144 A CA -0.652 51.320 52.037 -0.109 0.000 0.743 144 A CB 2.048 21.016 19.000 -0.053 0.000 1.323 144 A HN 1.124 nan 8.150 nan 0.000 0.415 145 L N 1.014 122.269 121.223 0.052 0.000 2.333 145 L HA 0.790 5.131 4.340 0.001 0.000 0.280 145 L C -0.107 176.815 176.870 0.086 0.000 1.004 145 L CA -0.160 54.724 54.840 0.073 0.000 0.820 145 L CB 1.440 43.578 42.059 0.130 0.000 1.247 145 L HN 0.970 nan 8.230 nan 0.000 0.416 146 A N 6.057 128.915 122.820 0.064 0.000 2.360 146 A HA 0.626 4.947 4.320 0.001 0.000 0.309 146 A C 0.142 177.751 177.584 0.041 0.000 1.311 146 A CA -0.358 51.731 52.037 0.087 0.000 0.805 146 A CB 0.169 19.258 19.000 0.148 0.000 1.144 146 A HN 0.839 nan 8.150 nan 0.000 0.486 147 I N 0.656 121.268 120.570 0.070 0.000 3.366 147 I HA 0.039 4.210 4.170 0.001 0.000 0.267 147 I C 0.817 176.980 176.117 0.077 0.000 1.149 147 I CA 0.368 61.703 61.300 0.059 0.000 1.436 147 I CB -0.144 37.918 38.000 0.103 0.000 1.379 147 I HN 0.434 nan 8.210 nan 0.000 0.460 148 T N 3.055 117.676 114.554 0.112 0.000 2.946 148 T HA 0.101 4.451 4.350 0.001 0.000 0.311 148 T C -0.117 174.617 174.700 0.057 0.000 1.063 148 T CA 0.371 62.538 62.100 0.112 0.000 1.139 148 T CB 0.349 69.320 68.868 0.173 0.000 0.994 148 T HN 0.184 nan 8.240 nan 0.000 0.547 149 E N 2.908 123.133 120.200 0.043 0.000 2.299 149 E HA 0.250 4.601 4.350 0.001 0.000 0.265 149 E C -1.817 174.769 176.600 -0.023 0.000 0.911 149 E CA -2.382 54.022 56.400 0.006 0.000 0.789 149 E CB 1.585 31.299 29.700 0.023 0.000 1.246 149 E HN 0.218 nan 8.360 nan 0.000 0.427 150 P HA -0.157 nan 4.420 nan 0.000 0.217 150 P C 1.094 178.399 177.300 0.009 0.000 1.148 150 P CA 1.222 64.287 63.100 -0.058 0.000 0.828 150 P CB 0.132 31.805 31.700 -0.047 0.000 0.783 151 G N -1.756 107.057 108.800 0.022 0.000 2.744 151 G HA2 0.332 4.292 3.960 0.001 0.000 0.211 151 G HA3 0.332 4.292 3.960 0.001 0.000 0.211 151 G C 0.525 175.459 174.900 0.056 0.000 1.143 151 G CA 0.553 45.676 45.100 0.038 0.000 0.788 151 G HN 0.560 nan 8.290 nan 0.000 0.534 152 G N -2.582 106.261 108.800 0.070 0.000 2.378 152 G HA2 0.463 4.423 3.960 0.001 0.000 0.302 152 G HA3 0.463 4.423 3.960 0.001 0.000 0.302 152 G C 0.214 175.179 174.900 0.109 0.000 1.669 152 G CA 0.209 45.364 45.100 0.092 0.000 0.920 152 G HN 0.614 nan 8.290 nan 0.000 0.697 153 G N -0.320 108.554 108.800 0.123 0.000 2.748 153 G HA2 0.289 4.249 3.960 0.001 0.000 0.204 153 G HA3 0.289 4.249 3.960 0.001 0.000 0.204 153 G C 1.551 176.519 174.900 0.113 0.000 1.095 153 G CA 1.527 46.705 45.100 0.130 0.000 0.775 153 G HN 0.781 nan 8.290 nan 0.000 0.531 154 S N 0.676 116.433 115.700 0.094 0.000 2.377 154 S HA -0.035 4.436 4.470 0.001 0.000 0.223 154 S C 1.082 175.762 174.600 0.133 0.000 1.030 154 S CA 0.658 58.910 58.200 0.087 0.000 0.970 154 S CB -0.037 63.200 63.200 0.063 0.000 0.830 154 S HN 0.310 nan 8.310 nan 0.000 0.473 155 D N 1.948 122.434 120.400 0.143 0.000 2.713 155 D HA 0.199 4.840 4.640 0.001 0.000 0.229 155 D C 0.917 177.340 176.300 0.204 0.000 1.136 155 D CA -0.141 53.973 54.000 0.190 0.000 1.010 155 D CB -0.084 40.826 40.800 0.183 0.000 1.084 155 D HN -0.049 nan 8.370 nan 0.000 0.495 156 V N 1.882 121.933 119.914 0.229 0.000 2.469 156 V HA -0.151 3.969 4.120 0.001 0.000 0.251 156 V C 2.454 178.674 176.094 0.210 0.000 1.064 156 V CA 2.065 64.506 62.300 0.235 0.000 1.066 156 V CB -0.454 31.541 31.823 0.286 0.000 0.667 156 V HN 0.602 nan 8.190 nan 0.000 0.461 157 G N -1.331 107.569 108.800 0.166 0.000 2.509 157 G HA2 -0.187 3.774 3.960 0.001 0.000 0.218 157 G HA3 -0.187 3.774 3.960 0.001 0.000 0.218 157 G C 0.869 175.507 174.900 -0.438 0.000 1.124 157 G CA 0.441 45.409 45.100 -0.219 0.000 0.776 157 G HN 0.684 nan 8.290 nan 0.000 0.547 158 H N -0.589 118.495 119.070 0.023 0.000 2.472 158 H HA 0.331 4.888 4.556 0.001 0.000 0.287 158 H C 0.211 175.546 175.328 0.013 0.000 1.112 158 H CA -1.093 54.958 56.048 0.004 0.000 1.021 158 H CB 0.054 29.819 29.762 0.004 0.000 1.635 158 H HN 0.272 nan 8.280 nan 0.000 0.559 159 L N -1.750 119.515 121.223 0.070 0.000 2.506 159 L HA 0.186 4.526 4.340 0.001 0.000 0.281 159 L C 1.005 177.889 176.870 0.023 0.000 1.228 159 L CA 0.254 55.122 54.840 0.046 0.000 0.850 159 L CB 0.774 42.847 42.059 0.023 0.000 1.110 159 L HN 0.063 nan 8.230 nan 0.000 0.496 160 R N -0.149 120.359 120.500 0.014 0.000 2.237 160 R HA 0.164 4.504 4.340 0.001 0.000 0.195 160 R C 0.159 176.446 176.300 -0.022 0.000 0.956 160 R CA 0.239 56.342 56.100 0.005 0.000 1.029 160 R CB 0.058 30.367 30.300 0.016 0.000 0.972 160 R HN 0.841 nan 8.270 nan 0.000 0.493 161 T N 1.945 116.469 114.554 -0.051 0.000 2.867 161 T HA 0.184 4.534 4.350 0.001 0.000 0.297 161 T C 0.242 174.876 174.700 -0.110 0.000 0.989 161 T CA 0.223 62.260 62.100 -0.105 0.000 1.159 161 T CB 0.608 69.357 68.868 -0.199 0.000 0.928 161 T HN 0.326 nan 8.240 nan 0.000 0.538 162 R N 1.315 121.760 120.500 -0.092 0.000 2.589 162 R HA 0.831 5.171 4.340 0.001 0.000 0.293 162 R C -0.390 175.864 176.300 -0.077 0.000 0.963 162 R CA -0.746 55.314 56.100 -0.067 0.000 0.905 162 R CB 1.052 31.337 30.300 -0.025 0.000 1.144 162 R HN 0.941 nan 8.270 nan 0.000 0.459 163 A N 2.626 125.406 122.820 -0.066 0.000 2.363 163 A HA 0.576 4.897 4.320 0.001 0.000 0.296 163 A C -1.364 176.291 177.584 0.118 0.000 1.237 163 A CA -0.627 51.396 52.037 -0.022 0.000 0.773 163 A CB 0.716 19.595 19.000 -0.201 0.000 1.153 163 A HN 0.761 nan 8.150 nan 0.000 0.473 164 D N 2.140 122.634 120.400 0.156 0.000 2.233 164 D HA 0.335 4.975 4.640 0.001 0.000 0.240 164 D C -0.357 176.038 176.300 0.159 0.000 1.074 164 D CA -0.191 53.895 54.000 0.143 0.000 0.838 164 D CB 2.126 42.968 40.800 0.069 0.000 1.124 164 D HN 0.440 nan 8.370 nan 0.000 0.475 165 L N 2.523 123.798 121.223 0.086 0.000 2.410 165 L HA 0.155 4.496 4.340 0.001 0.000 0.273 165 L C -0.230 176.583 176.870 -0.094 0.000 1.152 165 L CA 0.443 55.185 54.840 -0.162 0.000 0.855 165 L CB 0.433 42.372 42.059 -0.201 0.000 1.129 165 L HN 0.218 nan 8.230 nan 0.000 0.463 166 D N 4.267 124.602 120.400 -0.108 0.000 2.378 166 D HA 0.515 5.156 4.640 0.001 0.000 0.265 166 D C 0.543 176.819 176.300 -0.039 0.000 1.229 166 D CA 0.695 54.667 54.000 -0.047 0.000 0.914 166 D CB 0.558 41.350 40.800 -0.014 0.000 1.140 166 D HN 0.846 nan 8.370 nan 0.000 0.516 167 G N 4.376 113.145 108.800 -0.053 0.000 2.601 167 G HA2 -0.338 3.622 3.960 0.001 0.000 0.306 167 G HA3 -0.338 3.622 3.960 0.001 0.000 0.306 167 G C 0.525 175.387 174.900 -0.063 0.000 1.172 167 G CA 0.648 45.728 45.100 -0.034 0.000 0.966 167 G HN 0.611 nan 8.290 nan 0.000 0.542 168 D N 0.808 121.209 120.400 0.001 0.000 2.463 168 D HA 0.453 5.093 4.640 0.001 0.000 0.224 168 D C 0.490 176.650 176.300 -0.233 0.000 1.174 168 D CA 0.129 54.073 54.000 -0.093 0.000 0.829 168 D CB -0.051 40.710 40.800 -0.064 0.000 0.993 168 D HN 0.689 nan 8.370 nan 0.000 0.497 169 H N -1.393 117.578 119.070 -0.165 0.000 2.928 169 H HA 0.465 5.022 4.556 0.001 0.000 0.371 169 H C -1.284 173.902 175.328 -0.237 0.000 1.186 169 H CA -0.692 55.279 56.048 -0.128 0.000 1.134 169 H CB 1.088 30.824 29.762 -0.043 0.000 1.824 169 H HN -0.141 nan 8.280 nan 0.000 0.554 170 Y N 0.197 120.557 120.300 0.100 0.000 2.352 170 Y HA 0.471 5.021 4.550 0.001 0.000 0.326 170 Y C -0.249 175.684 175.900 0.055 0.000 1.166 170 Y CA -0.665 57.461 58.100 0.044 0.000 1.182 170 Y CB 1.375 39.831 38.460 -0.007 0.000 1.216 170 Y HN 0.246 nan 8.280 nan 0.000 0.474 171 V N 5.272 125.305 119.914 0.198 0.000 2.378 171 V HA 0.383 4.504 4.120 0.001 0.000 0.288 171 V C -0.298 175.850 176.094 0.090 0.000 1.016 171 V CA -0.822 61.549 62.300 0.117 0.000 0.840 171 V CB 0.984 32.851 31.823 0.072 0.000 0.994 171 V HN 0.549 nan 8.190 nan 0.000 0.431 172 I N 5.070 125.680 120.570 0.067 0.000 2.377 172 I HA 0.507 4.677 4.170 0.001 0.000 0.293 172 I C -0.242 175.901 176.117 0.043 0.000 0.987 172 I CA -0.353 60.947 61.300 0.001 0.000 1.185 172 I CB 1.463 39.416 38.000 -0.078 0.000 1.341 172 I HN 0.534 nan 8.210 nan 0.000 0.455 173 N N 4.575 123.278 118.700 0.005 0.000 2.371 173 N HA 0.730 5.471 4.740 0.001 0.000 0.291 173 N C -0.372 175.145 175.510 0.012 0.000 1.053 173 N CA -0.233 52.847 53.050 0.050 0.000 0.870 173 N CB 2.705 41.217 38.487 0.041 0.000 1.503 173 N HN 0.948 nan 8.380 nan 0.000 0.485 174 G N 0.340 109.190 108.800 0.082 0.000 2.367 174 G HA2 0.583 4.543 3.960 0.001 0.000 0.272 174 G HA3 0.583 4.543 3.960 0.001 0.000 0.272 174 G C -2.101 172.917 174.900 0.198 0.000 1.271 174 G CA -0.065 45.070 45.100 0.059 0.000 0.893 174 G HN 0.689 nan 8.290 nan 0.000 0.485 175 A N -0.659 122.256 122.820 0.157 0.000 2.589 175 A HA 0.843 5.163 4.320 0.001 0.000 0.296 175 A C -1.259 176.417 177.584 0.154 0.000 1.062 175 A CA -0.567 51.597 52.037 0.211 0.000 0.686 175 A CB 2.078 21.140 19.000 0.104 0.000 1.282 175 A HN 0.671 nan 8.150 nan 0.000 0.404 176 K N 0.242 120.759 120.400 0.195 0.000 2.435 176 K HA 0.876 5.197 4.320 0.001 0.000 0.251 176 K C -0.942 175.668 176.600 0.017 0.000 0.954 176 K CA -0.463 55.894 56.287 0.117 0.000 0.820 176 K CB 2.166 34.792 32.500 0.211 0.000 1.292 176 K HN 0.794 nan 8.250 nan 0.000 0.436 177 T N -0.332 114.172 114.554 -0.083 0.000 2.792 177 T HA 0.430 4.780 4.350 0.001 0.000 0.303 177 T C -1.430 173.138 174.700 -0.220 0.000 1.310 177 T CA -0.234 61.712 62.100 -0.257 0.000 1.007 177 T CB 0.228 68.782 68.868 -0.523 0.000 1.335 177 T HN 0.539 nan 8.240 nan 0.000 0.504 178 Y N -0.060 120.280 120.300 0.066 0.000 3.689 178 Y HA -0.114 4.436 4.550 0.001 0.000 0.221 178 Y C 0.042 175.997 175.900 0.092 0.000 1.247 178 Y CA -0.573 57.569 58.100 0.070 0.000 1.671 178 Y CB -2.350 36.142 38.460 0.053 0.000 1.521 178 Y HN 0.388 nan 8.280 nan 0.000 0.632 179 I N 0.913 121.590 120.570 0.178 0.000 2.301 179 I HA 0.129 4.299 4.170 0.001 0.000 0.292 179 I C 0.979 177.180 176.117 0.140 0.000 1.046 179 I CA -0.579 60.811 61.300 0.150 0.000 1.282 179 I CB 0.546 38.614 38.000 0.113 0.000 1.409 179 I HN 0.079 nan 8.210 nan 0.000 0.484 180 T N 5.051 119.704 114.554 0.165 0.000 2.888 180 T HA 0.068 4.419 4.350 0.001 0.000 0.301 180 T C 1.100 175.842 174.700 0.070 0.000 1.001 180 T CA 0.202 62.393 62.100 0.151 0.000 1.147 180 T CB 0.300 69.288 68.868 0.200 0.000 0.931 180 T HN 0.724 nan 8.240 nan 0.000 0.541 181 S N 1.619 117.340 115.700 0.035 0.000 3.476 181 S HA -0.189 4.282 4.470 0.001 0.000 0.309 181 S C 1.761 176.338 174.600 -0.039 0.000 1.222 181 S CA 0.731 58.919 58.200 -0.019 0.000 0.922 181 S CB -1.375 61.802 63.200 -0.038 0.000 1.023 181 S HN 1.047 nan 8.310 nan 0.000 0.591 182 G N -0.013 108.783 108.800 -0.006 0.000 2.511 182 G HA2 0.078 4.039 3.960 0.001 0.000 0.217 182 G HA3 0.078 4.039 3.960 0.001 0.000 0.217 182 G C 1.161 176.023 174.900 -0.062 0.000 1.133 182 G CA 0.921 46.011 45.100 -0.016 0.000 0.792 182 G HN 0.551 nan 8.290 nan 0.000 0.539 183 V N 0.700 120.578 119.914 -0.060 0.000 2.323 183 V HA -0.094 4.027 4.120 0.001 0.000 0.244 183 V C 2.757 178.789 176.094 -0.102 0.000 1.041 183 V CA 1.657 63.906 62.300 -0.085 0.000 1.025 183 V CB -0.409 31.377 31.823 -0.062 0.000 0.656 183 V HN 0.287 nan 8.190 nan 0.000 0.451 184 R N 0.402 120.842 120.500 -0.102 0.000 2.240 184 R HA 0.261 4.601 4.340 0.001 0.000 0.203 184 R C 1.085 177.302 176.300 -0.138 0.000 1.011 184 R CA 0.502 56.527 56.100 -0.124 0.000 1.007 184 R CB -0.207 30.006 30.300 -0.145 0.000 0.911 184 R HN 0.469 nan 8.270 nan 0.000 0.468 185 A N 1.588 124.327 122.820 -0.135 0.000 2.498 185 A HA -0.030 4.291 4.320 0.001 0.000 0.239 185 A C 0.366 177.888 177.584 -0.103 0.000 1.068 185 A CA -0.103 51.835 52.037 -0.166 0.000 0.766 185 A CB 0.313 19.203 19.000 -0.183 0.000 1.003 185 A HN 0.129 nan 8.150 nan 0.000 0.497 186 D N -0.397 119.956 120.400 -0.079 0.000 2.234 186 D HA 0.073 4.714 4.640 0.001 0.000 0.205 186 D C -0.092 176.340 176.300 0.220 0.000 0.962 186 D CA 1.770 55.816 54.000 0.077 0.000 0.855 186 D CB 0.040 40.932 40.800 0.154 0.000 0.951 186 D HN 0.714 nan 8.370 nan 0.000 0.500 187 Y N -2.159 118.201 120.300 0.100 0.000 2.581 187 Y HA 0.562 5.113 4.550 0.001 0.000 0.337 187 Y C -1.461 174.476 175.900 0.062 0.000 1.108 187 Y CA -1.370 56.786 58.100 0.094 0.000 1.033 187 Y CB 1.217 39.692 38.460 0.025 0.000 1.318 187 Y HN -0.368 nan 8.280 nan 0.000 0.459 188 V N 3.151 123.157 119.914 0.152 0.000 2.482 188 V HA 0.344 4.465 4.120 0.001 0.000 0.295 188 V C -0.638 175.490 176.094 0.057 0.000 1.026 188 V CA -0.978 61.373 62.300 0.084 0.000 0.856 188 V CB 1.485 33.448 31.823 0.232 0.000 1.001 188 V HN 0.766 nan 8.190 nan 0.000 0.424 189 V N 4.439 124.380 119.914 0.045 0.000 2.421 189 V HA 0.227 4.348 4.120 0.001 0.000 0.271 189 V C 0.644 176.695 176.094 -0.073 0.000 1.031 189 V CA 0.429 62.709 62.300 -0.033 0.000 1.032 189 V CB 0.728 32.535 31.823 -0.026 0.000 1.009 189 V HN 0.940 nan 8.190 nan 0.000 0.477 190 T N 4.937 119.416 114.554 -0.125 0.000 2.792 190 T HA 0.631 4.982 4.350 0.001 0.000 0.280 190 T C 0.194 174.770 174.700 -0.207 0.000 0.990 190 T CA -0.260 61.750 62.100 -0.151 0.000 0.960 190 T CB 1.552 70.286 68.868 -0.222 0.000 0.939 190 T HN 0.847 nan 8.240 nan 0.000 0.439 191 A N 2.683 125.397 122.820 -0.177 0.000 2.320 191 A HA 0.805 5.126 4.320 0.001 0.000 0.287 191 A C 0.170 177.638 177.584 -0.193 0.000 1.181 191 A CA -0.551 51.382 52.037 -0.172 0.000 0.831 191 A CB 0.052 18.982 19.000 -0.116 0.000 1.102 191 A HN 1.095 nan 8.150 nan 0.000 0.513 192 A N 2.499 125.199 122.820 -0.201 0.000 2.539 192 A HA 0.723 5.044 4.320 0.001 0.000 0.296 192 A C -0.190 177.299 177.584 -0.158 0.000 1.073 192 A CA -0.777 51.137 52.037 -0.205 0.000 0.700 192 A CB 0.945 19.782 19.000 -0.271 0.000 1.296 192 A HN 0.942 nan 8.150 nan 0.000 0.405 193 R N 1.135 121.563 120.500 -0.119 0.000 2.242 193 R HA 0.350 4.690 4.340 0.001 0.000 0.334 193 R C 0.703 176.955 176.300 -0.079 0.000 1.071 193 R CA 0.701 56.749 56.100 -0.087 0.000 0.922 193 R CB 0.263 30.529 30.300 -0.058 0.000 1.023 193 R HN 0.836 nan 8.270 nan 0.000 0.458 194 T N 0.203 114.708 114.554 -0.081 0.000 3.015 194 T HA 0.243 4.593 4.350 0.001 0.000 0.250 194 T C 0.964 175.664 174.700 -0.001 0.000 1.057 194 T CA 0.258 62.335 62.100 -0.038 0.000 1.066 194 T CB 0.710 69.535 68.868 -0.071 0.000 0.959 194 T HN 0.541 nan 8.240 nan 0.000 0.488 195 G N 0.702 109.489 108.800 -0.022 0.000 3.247 195 G HA2 0.635 4.596 3.960 0.001 0.000 0.163 195 G HA3 0.635 4.596 3.960 0.001 0.000 0.163 195 G C 0.273 175.160 174.900 -0.021 0.000 1.206 195 G CA -0.311 44.780 45.100 -0.015 0.000 0.918 195 G HN 0.477 nan 8.290 nan 0.000 0.625 196 G N -0.115 108.668 108.800 -0.028 0.000 2.621 196 G HA2 0.538 4.498 3.960 0.001 0.000 0.271 196 G HA3 0.538 4.498 3.960 0.001 0.000 0.271 196 G C -2.271 172.604 174.900 -0.041 0.000 1.236 196 G CA -0.689 44.395 45.100 -0.028 0.000 0.958 196 G HN 0.454 nan 8.290 nan 0.000 0.512 197 P HA 0.395 nan 4.420 nan 0.000 0.271 197 P C 0.605 177.850 177.300 -0.091 0.000 1.233 197 P CA 1.054 64.140 63.100 -0.023 0.000 0.789 197 P CB 0.525 32.242 31.700 0.029 0.000 0.951 198 G N -0.036 108.653 108.800 -0.185 0.000 2.757 198 G HA2 0.019 3.979 3.960 0.001 0.000 0.638 198 G HA3 0.019 3.979 3.960 0.001 0.000 0.638 198 G C 0.894 175.534 174.900 -0.432 0.000 1.344 198 G CA 0.052 44.914 45.100 -0.398 0.000 0.855 198 G HN 0.531 nan 8.290 nan 0.000 0.537 199 A N -0.610 121.835 122.820 -0.624 0.000 1.948 199 A HA 0.190 4.510 4.320 0.001 0.000 0.220 199 A C 2.825 180.153 177.584 -0.426 0.000 1.177 199 A CA 2.825 54.343 52.037 -0.865 0.000 0.636 199 A CB -0.917 16.949 19.000 -1.890 0.000 0.815 199 A HN 2.456 nan 8.150 nan 0.000 0.449 200 G N -1.330 107.290 108.800 -0.299 0.000 2.776 200 G HA2 0.236 4.197 3.960 0.001 0.000 0.209 200 G HA3 0.236 4.197 3.960 0.001 0.000 0.209 200 G C 0.952 175.793 174.900 -0.098 0.000 1.145 200 G CA 0.914 45.923 45.100 -0.151 0.000 0.791 200 G HN 0.816 nan 8.290 nan 0.000 0.530 201 G N -0.403 108.330 108.800 -0.110 0.000 3.575 201 G HA2 0.399 4.359 3.960 0.001 0.000 0.273 201 G HA3 0.399 4.359 3.960 0.001 0.000 0.273 201 G C -0.194 174.663 174.900 -0.072 0.000 1.053 201 G CA -0.088 44.967 45.100 -0.075 0.000 0.803 201 G HN 0.195 nan 8.290 nan 0.000 0.528 202 V N 1.016 120.891 119.914 -0.064 0.000 2.481 202 V HA 0.644 4.765 4.120 0.001 0.000 0.286 202 V C 0.011 176.062 176.094 -0.072 0.000 1.042 202 V CA -0.274 61.992 62.300 -0.056 0.000 0.928 202 V CB 1.528 33.352 31.823 0.002 0.000 0.986 202 V HN 0.186 nan 8.190 nan 0.000 0.462 203 S N 3.925 119.551 115.700 -0.124 0.000 2.632 203 S HA 0.750 5.221 4.470 0.001 0.000 0.289 203 S C -0.898 173.585 174.600 -0.194 0.000 1.115 203 S CA -0.671 57.434 58.200 -0.159 0.000 0.889 203 S CB 1.799 64.864 63.200 -0.224 0.000 1.116 203 S HN 0.493 nan 8.310 nan 0.000 0.486 204 L N 2.067 123.169 121.223 -0.201 0.000 2.322 204 L HA 0.641 4.982 4.340 0.001 0.000 0.281 204 L C -1.139 175.596 176.870 -0.224 0.000 1.014 204 L CA -0.410 54.294 54.840 -0.225 0.000 0.815 204 L CB 1.045 42.953 42.059 -0.251 0.000 1.247 204 L HN 0.485 nan 8.230 nan 0.000 0.421 205 I N 3.187 123.618 120.570 -0.232 0.000 2.534 205 I HA 0.302 4.473 4.170 0.001 0.000 0.288 205 I C -0.389 175.615 176.117 -0.189 0.000 1.077 205 I CA -0.887 60.282 61.300 -0.219 0.000 1.051 205 I CB 2.475 40.310 38.000 -0.275 0.000 1.234 205 I HN 0.157 nan 8.210 nan 0.000 0.425 206 V N 6.683 126.482 119.914 -0.193 0.000 2.508 206 V HA 0.207 4.328 4.120 0.001 0.000 0.281 206 V C 0.089 176.083 176.094 -0.167 0.000 1.041 206 V CA -0.353 61.803 62.300 -0.240 0.000 1.016 206 V CB 1.181 32.690 31.823 -0.524 0.000 0.984 206 V HN 0.409 nan 8.190 nan 0.000 0.478 207 V N 4.242 124.080 119.914 -0.128 0.000 2.444 207 V HA 0.371 4.492 4.120 0.001 0.000 0.294 207 V C -0.434 175.677 176.094 0.028 0.000 1.022 207 V CA -0.891 61.326 62.300 -0.139 0.000 0.850 207 V CB 1.738 33.316 31.823 -0.407 0.000 0.992 207 V HN 0.804 nan 8.190 nan 0.000 0.426 208 D N 4.057 124.541 120.400 0.141 0.000 2.350 208 D HA 0.220 4.860 4.640 0.001 0.000 0.249 208 D C 0.337 176.862 176.300 0.374 0.000 1.119 208 D CA -0.330 53.834 54.000 0.273 0.000 0.886 208 D CB 0.892 41.836 40.800 0.240 0.000 1.195 208 D HN 0.228 nan 8.370 nan 0.000 0.437 209 K N 0.566 121.177 120.400 0.351 0.000 2.469 209 K HA 0.224 4.544 4.320 0.001 0.000 0.274 209 K C 1.326 178.018 176.600 0.154 0.000 0.983 209 K CA 0.567 56.983 56.287 0.216 0.000 0.974 209 K CB 0.550 33.078 32.500 0.046 0.000 0.913 209 K HN 0.745 nan 8.250 nan 0.000 0.493 210 G N 1.818 110.669 108.800 0.085 0.000 2.217 210 G HA2 -0.272 3.688 3.960 0.001 0.000 0.246 210 G HA3 -0.272 3.688 3.960 0.001 0.000 0.246 210 G C 0.262 175.227 174.900 0.108 0.000 0.990 210 G CA 0.467 45.606 45.100 0.065 0.000 0.627 210 G HN 0.566 nan 8.290 nan 0.000 0.522 211 T N 3.840 118.510 114.554 0.192 0.000 2.902 211 T HA 0.419 4.770 4.350 0.001 0.000 0.301 211 T C -1.956 172.833 174.700 0.149 0.000 1.012 211 T CA 0.031 62.232 62.100 0.169 0.000 1.151 211 T CB 1.136 70.114 68.868 0.182 0.000 0.946 211 T HN 0.159 nan 8.240 nan 0.000 0.542 212 P HA 0.212 nan 4.420 nan 0.000 0.264 212 P C 1.052 178.409 177.300 0.094 0.000 1.193 212 P CA 0.774 63.919 63.100 0.074 0.000 0.763 212 P CB 0.285 32.013 31.700 0.047 0.000 0.810 213 G N 2.164 111.014 108.800 0.083 0.000 2.213 213 G HA2 -0.255 3.706 3.960 0.001 0.000 0.236 213 G HA3 -0.255 3.706 3.960 0.001 0.000 0.236 213 G C -0.201 174.780 174.900 0.135 0.000 0.991 213 G CA -0.471 44.685 45.100 0.094 0.000 0.629 213 G HN 0.526 nan 8.290 nan 0.000 0.517 214 F N 3.109 123.014 119.950 -0.076 0.000 2.361 214 F HA 0.711 5.238 4.527 0.001 0.000 0.364 214 F C -0.007 175.682 175.800 -0.184 0.000 1.120 214 F CA -1.769 56.110 58.000 -0.201 0.000 1.102 214 F CB 0.746 39.642 39.000 -0.173 0.000 1.183 214 F HN 0.206 nan 8.300 nan 0.000 0.476 215 E N 4.049 124.034 120.200 -0.358 0.000 2.266 215 E HA 0.420 4.771 4.350 0.001 0.000 0.268 215 E C -1.275 175.049 176.600 -0.460 0.000 0.879 215 E CA -1.234 54.934 56.400 -0.387 0.000 0.762 215 E CB 2.721 32.313 29.700 -0.179 0.000 1.199 215 E HN 0.282 nan 8.360 nan 0.000 0.422 216 V N 3.088 122.761 119.914 -0.401 0.000 2.387 216 V HA -0.006 4.115 4.120 0.001 0.000 0.260 216 V C 0.842 176.838 176.094 -0.163 0.000 1.054 216 V CA 0.458 62.596 62.300 -0.270 0.000 0.967 216 V CB 0.655 32.339 31.823 -0.230 0.000 1.036 216 V HN 0.851 nan 8.190 nan 0.000 0.481 217 T N 4.858 119.339 114.554 -0.122 0.000 2.896 217 T HA 0.109 4.460 4.350 0.001 0.000 0.263 217 T C 0.824 175.490 174.700 -0.057 0.000 1.050 217 T CA 1.067 63.121 62.100 -0.077 0.000 1.140 217 T CB 0.045 68.881 68.868 -0.053 0.000 0.877 217 T HN 0.535 nan 8.240 nan 0.000 0.457 218 R N 0.618 121.087 120.500 -0.052 0.000 2.643 218 R HA 0.400 4.741 4.340 0.001 0.000 0.269 218 R C -1.316 174.970 176.300 -0.024 0.000 1.037 218 R CA -0.717 55.364 56.100 -0.031 0.000 0.894 218 R CB 2.223 32.514 30.300 -0.015 0.000 1.238 218 R HN 0.001 nan 8.270 nan 0.000 0.459 219 K N 3.853 124.246 120.400 -0.013 0.000 2.253 219 K HA 0.333 4.653 4.320 0.001 0.000 0.277 219 K C -0.657 175.958 176.600 0.026 0.000 1.053 219 K CA -0.384 55.905 56.287 0.003 0.000 0.892 219 K CB 0.637 33.134 32.500 -0.005 0.000 1.102 219 K HN 0.450 nan 8.250 nan 0.000 0.469 220 L N 3.015 124.270 121.223 0.053 0.000 2.371 220 L HA 0.173 4.513 4.340 0.001 0.000 0.272 220 L C 0.229 177.143 176.870 0.072 0.000 1.124 220 L CA -0.549 54.337 54.840 0.077 0.000 0.816 220 L CB 0.748 42.886 42.059 0.132 0.000 1.129 220 L HN 0.661 nan 8.230 nan 0.000 0.448 221 D N 3.462 123.899 120.400 0.062 0.000 2.317 221 D HA 0.287 4.928 4.640 0.001 0.000 0.234 221 D C -0.711 175.619 176.300 0.051 0.000 1.112 221 D CA -0.231 53.799 54.000 0.050 0.000 0.840 221 D CB 0.743 41.566 40.800 0.037 0.000 1.078 221 D HN 0.361 nan 8.370 nan 0.000 0.486 222 K N 3.404 123.834 120.400 0.050 0.000 2.340 222 K HA 0.272 4.592 4.320 0.001 0.000 0.244 222 K C 1.104 177.715 176.600 0.019 0.000 0.973 222 K CA -0.906 55.402 56.287 0.034 0.000 0.828 222 K CB 2.152 34.684 32.500 0.053 0.000 1.226 222 K HN 0.294 nan 8.250 nan 0.000 0.437 223 M N 0.503 120.097 119.600 -0.010 0.000 2.108 223 M HA -0.102 4.378 4.480 0.001 0.000 0.261 223 M C 0.528 176.830 176.300 0.003 0.000 1.066 223 M CA 2.033 57.324 55.300 -0.015 0.000 1.107 223 M CB 0.110 32.682 32.600 -0.047 0.000 1.356 223 M HN 0.858 nan 8.290 nan 0.000 0.406 224 G N -3.328 105.480 108.800 0.014 0.000 2.911 224 G HA2 0.350 4.311 3.960 0.001 0.000 0.299 224 G HA3 0.350 4.311 3.960 0.001 0.000 0.299 224 G C -1.621 173.405 174.900 0.210 0.000 1.283 224 G CA -0.505 44.642 45.100 0.079 0.000 0.805 224 G HN 0.447 nan 8.290 nan 0.000 0.548 225 W N 0.610 121.922 121.300 0.021 0.000 6.554 225 W HA -0.166 4.495 4.660 0.001 0.000 0.398 225 W C 1.622 178.164 176.519 0.039 0.000 1.492 225 W CA 0.219 57.590 57.345 0.043 0.000 1.078 225 W CB -1.295 28.193 29.460 0.047 0.000 2.653 225 W HN 0.615 nan 8.180 nan 0.000 1.591 226 R N -0.221 120.402 120.500 0.205 0.000 2.148 226 R HA -0.091 4.249 4.340 0.001 0.000 0.223 226 R C 2.182 178.542 176.300 0.099 0.000 1.088 226 R CA 1.550 57.723 56.100 0.123 0.000 0.985 226 R CB -0.406 29.936 30.300 0.071 0.000 0.880 226 R HN 0.309 nan 8.270 nan 0.000 0.451 227 S N -0.302 115.458 115.700 0.099 0.000 2.522 227 S HA -0.007 4.463 4.470 0.001 0.000 0.227 227 S C 1.017 175.635 174.600 0.030 0.000 0.986 227 S CA -0.131 58.121 58.200 0.087 0.000 0.929 227 S CB 0.218 63.504 63.200 0.144 0.000 0.769 227 S HN 0.024 nan 8.310 nan 0.000 0.529 228 S N 3.497 119.219 115.700 0.036 0.000 2.465 228 S HA 0.194 4.665 4.470 0.001 0.000 0.279 228 S C -0.369 174.269 174.600 0.063 0.000 1.201 228 S CA -0.914 57.294 58.200 0.013 0.000 1.053 228 S CB 0.092 63.296 63.200 0.006 0.000 0.953 228 S HN 0.531 nan 8.310 nan 0.000 0.488 229 D N 3.761 124.175 120.400 0.024 0.000 2.308 229 D HA 0.179 4.820 4.640 0.001 0.000 0.251 229 D C -0.805 175.531 176.300 0.061 0.000 1.127 229 D CA -0.245 53.772 54.000 0.028 0.000 0.876 229 D CB 0.901 41.692 40.800 -0.016 0.000 1.176 229 D HN 0.342 nan 8.370 nan 0.000 0.446 230 T N 0.933 115.536 114.554 0.082 0.000 2.879 230 T HA 0.597 4.948 4.350 0.001 0.000 0.290 230 T C -0.420 174.329 174.700 0.083 0.000 0.993 230 T CA -0.726 61.444 62.100 0.116 0.000 0.975 230 T CB 1.565 70.541 68.868 0.180 0.000 0.981 230 T HN 0.636 nan 8.240 nan 0.000 0.439 231 A N 2.431 125.289 122.820 0.063 0.000 2.325 231 A HA 0.732 5.053 4.320 0.001 0.000 0.333 231 A C -0.151 177.437 177.584 0.007 0.000 1.155 231 A CA -0.771 51.276 52.037 0.017 0.000 0.814 231 A CB 0.895 19.885 19.000 -0.017 0.000 1.206 231 A HN 0.817 nan 8.150 nan 0.000 0.482 232 E N 1.903 122.087 120.200 -0.025 0.000 2.197 232 E HA 0.578 4.928 4.350 0.001 0.000 0.281 232 E C -1.487 175.087 176.600 -0.044 0.000 0.995 232 E CA -0.327 56.044 56.400 -0.047 0.000 0.808 232 E CB 0.724 30.388 29.700 -0.061 0.000 1.093 232 E HN 0.605 nan 8.360 nan 0.000 0.394 233 L N 2.634 123.855 121.223 -0.003 0.000 2.362 233 L HA 0.463 4.804 4.340 0.001 0.000 0.271 233 L C -0.439 176.449 176.870 0.030 0.000 1.002 233 L CA -0.809 54.018 54.840 -0.022 0.000 0.818 233 L CB 2.213 44.323 42.059 0.086 0.000 1.298 233 L HN 0.442 nan 8.230 nan 0.000 0.420 234 S N 0.848 116.511 115.700 -0.062 0.000 2.513 234 S HA 0.699 5.169 4.470 0.001 0.000 0.299 234 S C -1.434 173.163 174.600 -0.006 0.000 1.087 234 S CA -0.480 57.748 58.200 0.047 0.000 1.012 234 S CB 1.362 64.578 63.200 0.028 0.000 1.044 234 S HN 0.288 nan 8.310 nan 0.000 0.485 235 Y N 0.841 121.224 120.300 0.137 0.000 2.332 235 Y HA 0.417 4.967 4.550 0.001 0.000 0.326 235 Y C 0.183 176.126 175.900 0.071 0.000 0.978 235 Y CA -0.786 57.389 58.100 0.125 0.000 1.205 235 Y CB 1.478 39.966 38.460 0.046 0.000 1.131 235 Y HN 0.422 nan 8.280 nan 0.000 0.462 236 T N 2.817 117.483 114.554 0.186 0.000 2.833 236 T HA 0.217 4.568 4.350 0.001 0.000 0.297 236 T C -0.438 174.323 174.700 0.102 0.000 1.015 236 T CA -0.748 61.423 62.100 0.119 0.000 0.963 236 T CB 0.492 69.406 68.868 0.078 0.000 0.955 236 T HN 0.658 nan 8.240 nan 0.000 0.449 237 D N 2.213 122.667 120.400 0.090 0.000 2.708 237 D HA -0.161 4.479 4.640 0.001 0.000 0.236 237 D C -0.249 176.100 176.300 0.081 0.000 1.146 237 D CA 0.442 54.483 54.000 0.069 0.000 0.662 237 D CB -1.077 39.751 40.800 0.046 0.000 1.059 237 D HN 0.347 nan 8.370 nan 0.000 0.428 238 V N 1.709 121.691 119.914 0.114 0.000 2.455 238 V HA 0.246 4.367 4.120 0.001 0.000 0.273 238 V C 1.165 177.320 176.094 0.103 0.000 1.045 238 V CA 0.087 62.458 62.300 0.120 0.000 0.976 238 V CB 1.235 33.158 31.823 0.167 0.000 0.993 238 V HN 0.117 nan 8.190 nan 0.000 0.475 239 R N 3.986 124.541 120.500 0.093 0.000 2.265 239 R HA 0.658 4.998 4.340 0.001 0.000 0.328 239 R C -1.257 175.162 176.300 0.200 0.000 0.969 239 R CA -0.452 55.714 56.100 0.109 0.000 0.832 239 R CB 1.768 32.064 30.300 -0.007 0.000 1.139 239 R HN 0.519 nan 8.270 nan 0.000 0.457 240 V N 5.270 125.338 119.914 0.256 0.000 2.588 240 V HA 0.328 4.448 4.120 0.001 0.000 0.304 240 V C -2.221 173.972 176.094 0.166 0.000 1.042 240 V CA -2.589 59.837 62.300 0.210 0.000 0.877 240 V CB 2.203 34.096 31.823 0.117 0.000 0.996 240 V HN 0.613 nan 8.190 nan 0.000 0.425 241 P HA 0.017 nan 4.420 nan 0.000 0.267 241 P C 1.107 178.353 177.300 -0.089 0.000 1.200 241 P CA 0.099 63.015 63.100 -0.306 0.000 0.772 241 P CB 0.534 32.114 31.700 -0.200 0.000 0.855 242 V N 0.777 120.600 119.914 -0.151 0.000 2.720 242 V HA -0.231 3.889 4.120 0.001 0.000 0.256 242 V C 2.022 178.150 176.094 0.057 0.000 1.082 242 V CA 1.875 64.185 62.300 0.017 0.000 1.101 242 V CB -2.128 29.608 31.823 -0.144 0.000 0.693 242 V HN 0.529 nan 8.190 nan 0.000 0.479 243 A N 0.992 123.804 122.820 -0.014 0.000 2.076 243 A HA -0.190 4.130 4.320 0.001 0.000 0.220 243 A C 1.851 179.451 177.584 0.027 0.000 1.160 243 A CA 2.095 54.134 52.037 0.004 0.000 0.653 243 A CB -0.900 18.091 19.000 -0.014 0.000 0.801 243 A HN 0.619 nan 8.150 nan 0.000 0.455 244 N N -0.852 117.868 118.700 0.034 0.000 2.461 244 N HA 0.094 4.834 4.740 0.001 0.000 0.188 244 N C 0.144 175.633 175.510 -0.035 0.000 1.134 244 N CA -0.067 52.988 53.050 0.010 0.000 0.878 244 N CB -0.365 38.124 38.487 0.003 0.000 0.972 244 N HN 0.478 nan 8.380 nan 0.000 0.456 245 L N 1.336 122.559 121.223 0.000 0.000 2.462 245 L HA 0.089 4.429 4.340 0.001 0.000 0.272 245 L C -0.423 176.419 176.870 -0.046 0.000 1.166 245 L CA -0.003 54.807 54.840 -0.050 0.000 0.880 245 L CB 0.552 42.627 42.059 0.027 0.000 1.142 245 L HN -0.184 nan 8.230 nan 0.000 0.473 246 V N 7.601 127.467 119.914 -0.080 0.000 2.408 246 V HA 0.614 4.734 4.120 0.001 0.000 0.267 246 V C 1.110 177.181 176.094 -0.039 0.000 1.047 246 V CA 0.378 62.645 62.300 -0.055 0.000 0.937 246 V CB -0.307 31.475 31.823 -0.068 0.000 0.999 246 V HN 1.202 nan 8.190 nan 0.000 0.472 247 G N 5.664 114.454 108.800 -0.015 0.000 2.552 247 G HA2 -0.225 3.736 3.960 0.001 0.000 0.265 247 G HA3 -0.225 3.736 3.960 0.001 0.000 0.265 247 G C 0.118 175.013 174.900 -0.008 0.000 1.234 247 G CA -0.011 45.085 45.100 -0.008 0.000 0.944 247 G HN 0.837 nan 8.290 nan 0.000 0.568 248 S N 0.420 116.115 115.700 -0.007 0.000 2.578 248 S HA 0.500 4.971 4.470 0.001 0.000 0.283 248 S C 0.316 174.911 174.600 -0.010 0.000 1.195 248 S CA -0.150 58.050 58.200 -0.001 0.000 1.050 248 S CB 1.689 64.890 63.200 0.002 0.000 1.012 248 S HN 0.750 nan 8.310 nan 0.000 0.511 249 E N 1.578 121.781 120.200 0.005 0.000 2.442 249 E HA -0.039 4.312 4.350 0.001 0.000 0.262 249 E C -0.137 176.454 176.600 -0.014 0.000 1.004 249 E CA 0.176 56.573 56.400 -0.004 0.000 0.928 249 E CB 0.129 29.860 29.700 0.051 0.000 0.937 249 E HN 0.609 nan 8.360 nan 0.000 0.446 250 N N 1.876 120.554 118.700 -0.035 0.000 2.800 250 N HA -0.179 4.561 4.740 0.001 0.000 0.250 250 N C 0.272 175.773 175.510 -0.015 0.000 1.078 250 N CA 1.450 54.482 53.050 -0.029 0.000 0.804 250 N CB -1.820 36.654 38.487 -0.021 0.000 1.135 250 N HN 0.657 nan 8.380 nan 0.000 0.565 251 T N -4.410 110.136 114.554 -0.014 0.000 3.134 251 T HA 0.362 4.712 4.350 0.001 0.000 0.260 251 T C 1.754 176.456 174.700 0.002 0.000 1.027 251 T CA 0.562 62.664 62.100 0.003 0.000 0.913 251 T CB 0.484 69.352 68.868 -0.001 0.000 1.046 251 T HN 0.232 nan 8.240 nan 0.000 0.553 252 G N 1.085 109.876 108.800 -0.015 0.000 2.440 252 G HA2 -0.151 3.809 3.960 0.001 0.000 0.218 252 G HA3 -0.151 3.809 3.960 0.001 0.000 0.218 252 G C 1.025 175.913 174.900 -0.020 0.000 1.154 252 G CA 0.530 45.602 45.100 -0.048 0.000 0.767 252 G HN 0.462 nan 8.290 nan 0.000 0.552 253 F N 2.268 122.153 119.950 -0.108 0.000 2.095 253 F HA -0.022 4.506 4.527 0.001 0.000 0.298 253 F C 2.878 178.618 175.800 -0.100 0.000 1.104 253 F CA 1.363 59.300 58.000 -0.104 0.000 1.232 253 F CB -0.330 38.621 39.000 -0.081 0.000 0.987 253 F HN 0.235 nan 8.300 nan 0.000 0.475 254 A N -0.420 122.428 122.820 0.047 0.000 1.902 254 A HA -0.224 4.097 4.320 0.001 0.000 0.217 254 A C 2.121 179.659 177.584 -0.078 0.000 1.181 254 A CA 1.721 53.747 52.037 -0.017 0.000 0.623 254 A CB -0.840 18.178 19.000 0.030 0.000 0.818 254 A HN 0.558 nan 8.150 nan 0.000 0.443 255 Q N -0.547 119.221 119.800 -0.053 0.000 2.096 255 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 255 Q C 2.070 178.058 176.000 -0.020 0.000 0.982 255 Q CA 1.625 57.424 55.803 -0.007 0.000 0.850 255 Q CB -0.350 28.404 28.738 0.025 0.000 0.901 255 Q HN 0.745 nan 8.270 nan 0.000 0.422 256 I N 0.560 121.006 120.570 -0.207 0.000 2.202 256 I HA -0.278 3.893 4.170 0.001 0.000 0.242 256 I C 2.487 178.183 176.117 -0.701 0.000 1.091 256 I CA 0.905 61.932 61.300 -0.456 0.000 1.368 256 I CB -0.471 37.150 38.000 -0.632 0.000 1.058 256 I HN 0.163 nan 8.210 nan 0.000 0.410 257 A N 0.894 123.362 122.820 -0.587 0.000 1.873 257 A HA -0.253 4.068 4.320 0.001 0.000 0.218 257 A C 2.446 179.915 177.584 -0.191 0.000 1.193 257 A CA 2.155 53.954 52.037 -0.397 0.000 0.629 257 A CB -1.025 17.805 19.000 -0.284 0.000 0.826 257 A HN 0.456 nan 8.150 nan 0.000 0.447 258 A N -1.217 121.516 122.820 -0.145 0.000 2.216 258 A HA 0.319 4.639 4.320 0.001 0.000 0.214 258 A C 2.056 179.600 177.584 -0.068 0.000 1.160 258 A CA 1.753 53.746 52.037 -0.073 0.000 0.725 258 A CB -0.539 18.428 19.000 -0.054 0.000 0.784 258 A HN 1.078 nan 8.150 nan 0.000 0.472 259 A N -1.904 120.853 122.820 -0.105 0.000 2.108 259 A HA 0.397 4.718 4.320 0.001 0.000 0.206 259 A C 1.454 179.090 177.584 0.086 0.000 1.212 259 A CA 0.108 52.097 52.037 -0.080 0.000 0.843 259 A CB -0.303 18.541 19.000 -0.261 0.000 0.902 259 A HN 0.305 nan 8.150 nan 0.000 0.477 260 F N 0.837 120.788 119.950 0.003 0.000 2.236 260 F HA -0.176 4.352 4.527 0.001 0.000 0.302 260 F C 2.398 178.202 175.800 0.006 0.000 1.073 260 F CA 0.876 58.881 58.000 0.008 0.000 1.336 260 F CB -1.023 37.966 39.000 -0.018 0.000 1.040 260 F HN 0.051 nan 8.300 nan 0.000 0.507 261 V N 0.233 120.252 119.914 0.174 0.000 2.231 261 V HA -0.362 3.758 4.120 0.001 0.000 0.248 261 V C 2.677 178.819 176.094 0.081 0.000 1.054 261 V CA 2.108 64.464 62.300 0.093 0.000 1.015 261 V CB -1.592 30.260 31.823 0.048 0.000 0.638 261 V HN 0.348 nan 8.190 nan 0.000 0.444 262 A N -0.594 122.271 122.820 0.075 0.000 1.933 262 A HA -0.272 4.048 4.320 0.001 0.000 0.218 262 A C 2.305 179.947 177.584 0.096 0.000 1.175 262 A CA 1.979 54.055 52.037 0.066 0.000 0.628 262 A CB -0.541 18.486 19.000 0.046 0.000 0.814 262 A HN 0.683 nan 8.150 nan 0.000 0.444 263 E N -0.266 120.017 120.200 0.139 0.000 2.072 263 E HA -0.205 4.145 4.350 0.001 0.000 0.191 263 E C 2.194 178.856 176.600 0.103 0.000 0.985 263 E CA 1.148 57.642 56.400 0.155 0.000 0.801 263 E CB -0.076 29.755 29.700 0.218 0.000 0.750 263 E HN 0.618 nan 8.360 nan 0.000 0.452 264 R N -0.156 120.390 120.500 0.076 0.000 2.090 264 R HA -0.033 4.308 4.340 0.001 0.000 0.228 264 R C 2.457 178.785 176.300 0.048 0.000 1.110 264 R CA 0.993 57.116 56.100 0.037 0.000 0.973 264 R CB -0.090 30.217 30.300 0.011 0.000 0.869 264 R HN 0.081 nan 8.270 nan 0.000 0.440 265 V N 0.434 120.382 119.914 0.057 0.000 2.332 265 V HA -0.196 3.925 4.120 0.001 0.000 0.248 265 V C 2.334 178.441 176.094 0.022 0.000 1.055 265 V CA 2.184 64.517 62.300 0.056 0.000 1.038 265 V CB -0.884 30.974 31.823 0.059 0.000 0.651 265 V HN 0.557 nan 8.190 nan 0.000 0.450 266 G N -0.406 108.409 108.800 0.026 0.000 2.418 266 G HA2 -0.190 3.770 3.960 0.001 0.000 0.217 266 G HA3 -0.190 3.770 3.960 0.001 0.000 0.217 266 G C 1.585 176.450 174.900 -0.058 0.000 1.158 266 G CA 0.843 45.936 45.100 -0.012 0.000 0.771 266 G HN 0.470 nan 8.290 nan 0.000 0.545 267 L N 0.677 121.909 121.223 0.015 0.000 2.093 267 L HA -0.004 4.336 4.340 0.001 0.000 0.208 267 L C 3.406 180.241 176.870 -0.058 0.000 1.085 267 L CA 0.869 55.717 54.840 0.013 0.000 0.755 267 L CB -0.383 41.704 42.059 0.047 0.000 0.904 267 L HN 0.293 nan 8.230 nan 0.000 0.435 268 A N -0.150 122.653 122.820 -0.028 0.000 1.908 268 A HA -0.230 4.090 4.320 0.001 0.000 0.218 268 A C 2.374 179.868 177.584 -0.149 0.000 1.181 268 A CA 2.494 54.535 52.037 0.006 0.000 0.627 268 A CB -0.996 18.074 19.000 0.117 0.000 0.818 268 A HN 0.405 nan 8.150 nan 0.000 0.445 269 T N 0.169 114.529 114.554 -0.323 0.000 2.746 269 T HA -0.186 4.165 4.350 0.001 0.000 0.267 269 T C 2.019 176.158 174.700 -0.936 0.000 1.039 269 T CA 1.649 63.223 62.100 -0.877 0.000 1.142 269 T CB -0.321 68.201 68.868 -0.576 0.000 0.866 269 T HN 0.621 nan 8.240 nan 0.000 0.444 270 Q N 0.594 119.985 119.800 -0.682 0.000 2.135 270 Q HA -0.064 4.277 4.340 0.001 0.000 0.204 270 Q C 2.742 178.450 176.000 -0.486 0.000 0.981 270 Q CA 1.391 56.704 55.803 -0.817 0.000 0.856 270 Q CB -0.345 28.145 28.738 -0.413 0.000 0.902 270 Q HN 0.587 nan 8.270 nan 0.000 0.425 271 A N 1.113 123.761 122.820 -0.287 0.000 1.855 271 A HA -0.203 4.117 4.320 0.001 0.000 0.215 271 A C 1.989 179.537 177.584 -0.060 0.000 1.191 271 A CA 1.597 53.564 52.037 -0.116 0.000 0.613 271 A CB -1.017 17.965 19.000 -0.029 0.000 0.829 271 A HN 0.618 nan 8.150 nan 0.000 0.442 272 Y N -2.030 118.238 120.300 -0.053 0.000 2.395 272 Y HA 0.362 4.912 4.550 0.001 0.000 0.293 272 Y C 2.265 178.193 175.900 0.047 0.000 1.123 272 Y CA 0.663 58.762 58.100 -0.001 0.000 1.227 272 Y CB -0.498 37.958 38.460 -0.007 0.000 1.012 272 Y HN 0.199 nan 8.280 nan 0.000 0.552 273 A N 1.404 124.058 122.820 -0.277 0.000 1.975 273 A HA 0.136 4.456 4.320 0.001 0.000 0.215 273 A C 2.372 180.036 177.584 0.134 0.000 1.170 273 A CA 0.989 53.030 52.037 0.007 0.000 0.656 273 A CB -1.423 17.327 19.000 -0.418 0.000 0.821 273 A HN 0.584 nan 8.150 nan 0.000 0.449 274 G N -0.022 108.769 108.800 -0.016 0.000 2.440 274 G HA2 -0.031 3.929 3.960 0.001 0.000 0.218 274 G HA3 -0.031 3.929 3.960 0.001 0.000 0.218 274 G C 1.744 176.724 174.900 0.133 0.000 1.154 274 G CA 1.460 46.623 45.100 0.107 0.000 0.767 274 G HN 0.737 nan 8.290 nan 0.000 0.552 275 A N 0.401 123.294 122.820 0.123 0.000 1.883 275 A HA -0.167 4.154 4.320 0.001 0.000 0.217 275 A C 2.324 180.007 177.584 0.164 0.000 1.186 275 A CA 2.402 54.530 52.037 0.152 0.000 0.624 275 A CB -0.596 18.503 19.000 0.165 0.000 0.822 275 A HN 0.431 nan 8.150 nan 0.000 0.444 276 Q N -0.202 119.713 119.800 0.193 0.000 2.061 276 Q HA -0.242 4.098 4.340 0.001 0.000 0.204 276 Q C 2.151 178.220 176.000 0.115 0.000 0.984 276 Q CA 2.432 58.317 55.803 0.137 0.000 0.846 276 Q CB -0.313 28.505 28.738 0.133 0.000 0.902 276 Q HN 0.543 nan 8.270 nan 0.000 0.421 277 R N -0.514 120.092 120.500 0.177 0.000 2.091 277 R HA -0.094 4.246 4.340 0.001 0.000 0.238 277 R C 2.207 178.586 176.300 0.132 0.000 1.136 277 R CA 2.018 58.211 56.100 0.155 0.000 0.959 277 R CB -1.148 29.263 30.300 0.185 0.000 0.856 277 R HN 0.482 nan 8.270 nan 0.000 0.437 278 C N 0.058 119.438 119.300 0.134 0.000 2.413 278 C HA -0.052 4.409 4.460 0.001 0.000 0.276 278 C C 2.527 177.612 174.990 0.159 0.000 1.248 278 C CA 0.715 59.812 59.018 0.133 0.000 1.742 278 C CB -1.231 26.585 27.740 0.127 0.000 2.017 278 C HN 0.609 nan 8.230 nan 0.000 0.481 279 L N 1.586 122.894 121.223 0.142 0.000 2.017 279 L HA -0.116 4.224 4.340 0.001 0.000 0.208 279 L C 2.019 178.963 176.870 0.124 0.000 1.073 279 L CA 2.150 57.070 54.840 0.134 0.000 0.745 279 L CB -1.044 41.080 42.059 0.108 0.000 0.894 279 L HN 0.262 nan 8.230 nan 0.000 0.432 280 D N -0.245 120.215 120.400 0.100 0.000 2.104 280 D HA -0.221 4.420 4.640 0.001 0.000 0.194 280 D C 2.336 178.720 176.300 0.140 0.000 0.994 280 D CA 1.869 55.923 54.000 0.090 0.000 0.830 280 D CB -0.365 40.473 40.800 0.063 0.000 0.959 280 D HN 0.388 nan 8.370 nan 0.000 0.452 281 L N 0.539 121.873 121.223 0.184 0.000 2.042 281 L HA -0.173 4.168 4.340 0.001 0.000 0.210 281 L C 2.502 179.602 176.870 0.384 0.000 1.076 281 L CA 1.354 56.367 54.840 0.288 0.000 0.749 281 L CB -0.662 41.562 42.059 0.274 0.000 0.893 281 L HN 0.038 nan 8.230 nan 0.000 0.432 282 T N -1.054 113.705 114.554 0.342 0.000 2.857 282 T HA -0.088 4.263 4.350 0.001 0.000 0.266 282 T C 2.019 176.803 174.700 0.139 0.000 1.048 282 T CA 0.916 63.166 62.100 0.250 0.000 1.139 282 T CB -0.098 68.914 68.868 0.241 0.000 0.874 282 T HN 0.036 nan 8.240 nan 0.000 0.455 283 V N 1.698 121.689 119.914 0.127 0.000 2.287 283 V HA -0.209 3.911 4.120 0.001 0.000 0.248 283 V C 2.569 178.702 176.094 0.065 0.000 1.053 283 V CA 1.993 64.341 62.300 0.081 0.000 1.027 283 V CB -0.568 31.296 31.823 0.067 0.000 0.646 283 V HN 0.564 nan 8.190 nan 0.000 0.447 284 E N -0.564 119.695 120.200 0.097 0.000 2.051 284 E HA -0.280 4.070 4.350 0.001 0.000 0.192 284 E C 2.177 178.818 176.600 0.067 0.000 0.991 284 E CA 1.798 58.249 56.400 0.085 0.000 0.799 284 E CB -0.302 29.473 29.700 0.126 0.000 0.748 284 E HN 0.744 nan 8.360 nan 0.000 0.449 285 W N 1.043 122.253 121.300 -0.151 0.000 2.335 285 W HA -0.254 4.406 4.660 0.001 0.000 0.311 285 W C 1.901 178.275 176.519 -0.240 0.000 1.213 285 W CA 1.597 58.750 57.345 -0.320 0.000 1.274 285 W CB -0.678 28.220 29.460 -0.936 0.000 1.148 285 W HN 0.237 nan 8.180 nan 0.000 0.498 286 C N 0.790 120.031 119.300 -0.098 0.000 2.446 286 C HA -0.050 4.411 4.460 0.001 0.000 0.279 286 C C 2.669 177.562 174.990 -0.161 0.000 1.366 286 C CA 0.732 59.661 59.018 -0.148 0.000 1.763 286 C CB -1.190 26.545 27.740 -0.008 0.000 1.929 286 C HN 0.311 nan 8.230 nan 0.000 0.509 287 R N 1.070 121.504 120.500 -0.111 0.000 2.115 287 R HA -0.034 4.307 4.340 0.001 0.000 0.230 287 R C 1.264 177.479 176.300 -0.143 0.000 1.111 287 R CA 0.896 56.940 56.100 -0.095 0.000 0.976 287 R CB -0.225 30.044 30.300 -0.050 0.000 0.870 287 R HN 0.620 nan 8.270 nan 0.000 0.445 288 N N 0.472 119.044 118.700 -0.214 0.000 2.236 288 N HA -0.013 4.728 4.740 0.001 0.000 0.196 288 N C -0.106 175.178 175.510 -0.377 0.000 1.114 288 N CA 0.099 53.005 53.050 -0.239 0.000 0.859 288 N CB 0.578 38.959 38.487 -0.176 0.000 0.982 288 N HN -0.042 nan 8.380 nan 0.000 0.493 289 R N 1.665 121.849 120.500 -0.527 0.000 2.343 289 R HA 0.213 4.553 4.340 0.001 0.000 0.320 289 R C -1.471 174.617 176.300 -0.354 0.000 0.956 289 R CA -0.335 55.384 56.100 -0.634 0.000 0.836 289 R CB 0.419 29.980 30.300 -1.232 0.000 1.151 289 R HN -0.157 nan 8.270 nan 0.000 0.450 290 D N 2.782 123.032 120.400 -0.250 0.000 2.168 290 D HA 0.320 4.960 4.640 0.001 0.000 0.246 290 D C -0.465 175.764 176.300 -0.118 0.000 1.050 290 D CA -0.009 53.903 54.000 -0.147 0.000 0.857 290 D CB 2.013 42.743 40.800 -0.117 0.000 1.169 290 D HN 0.678 nan 8.370 nan 0.000 0.453 291 T N -1.668 112.857 114.554 -0.049 0.000 2.933 291 T HA 0.428 4.779 4.350 0.001 0.000 0.305 291 T C 0.088 174.853 174.700 0.108 0.000 1.092 291 T CA -0.752 61.327 62.100 -0.036 0.000 1.008 291 T CB 0.666 69.579 68.868 0.075 0.000 1.102 291 T HN 0.301 nan 8.240 nan 0.000 0.469 292 F N 1.372 121.306 119.950 -0.028 0.000 3.079 292 F HA -0.099 4.429 4.527 0.001 0.000 0.274 292 F C 1.693 177.478 175.800 -0.026 0.000 0.940 292 F CA 1.492 59.478 58.000 -0.022 0.000 0.932 292 F CB -1.844 37.146 39.000 -0.017 0.000 0.891 292 F HN 1.548 nan 8.300 nan 0.000 0.722 293 G N -0.667 108.166 108.800 0.055 0.000 2.175 293 G HA2 -0.278 3.682 3.960 0.001 0.000 0.244 293 G HA3 -0.278 3.682 3.960 0.001 0.000 0.244 293 G C 0.205 175.113 174.900 0.013 0.000 0.982 293 G CA 0.027 45.143 45.100 0.025 0.000 0.641 293 G HN 0.611 nan 8.290 nan 0.000 0.527 294 R N -0.078 120.434 120.500 0.019 0.000 2.740 294 R HA 0.530 4.870 4.340 0.001 0.000 0.273 294 R C -2.974 173.312 176.300 -0.023 0.000 0.998 294 R CA -2.064 54.035 56.100 -0.002 0.000 0.900 294 R CB 2.098 32.405 30.300 0.012 0.000 1.223 294 R HN 0.002 nan 8.270 nan 0.000 0.466 295 P HA 0.013 nan 4.420 nan 0.000 0.266 295 P C 0.498 177.763 177.300 -0.059 0.000 1.195 295 P CA 0.064 63.116 63.100 -0.079 0.000 0.768 295 P CB 0.579 32.232 31.700 -0.078 0.000 0.838 296 L N 2.479 123.650 121.223 -0.086 0.000 2.127 296 L HA -0.160 4.180 4.340 0.001 0.000 0.211 296 L C 2.179 179.036 176.870 -0.021 0.000 1.089 296 L CA 1.390 56.205 54.840 -0.041 0.000 0.757 296 L CB -0.394 41.632 42.059 -0.055 0.000 0.899 296 L HN 0.450 nan 8.230 nan 0.000 0.434 297 I N -0.547 120.000 120.570 -0.037 0.000 3.176 297 I HA -0.200 3.971 4.170 0.001 0.000 0.275 297 I C 2.330 178.441 176.117 -0.010 0.000 1.298 297 I CA 0.797 62.087 61.300 -0.016 0.000 1.445 297 I CB 0.120 38.107 38.000 -0.021 0.000 1.075 297 I HN 0.293 nan 8.210 nan 0.000 0.482 298 S N 0.282 115.973 115.700 -0.014 0.000 2.561 298 S HA 0.101 4.571 4.470 0.001 0.000 0.225 298 S C 0.886 175.485 174.600 -0.002 0.000 0.977 298 S CA -0.242 57.953 58.200 -0.008 0.000 0.926 298 S CB -0.121 63.072 63.200 -0.011 0.000 0.769 298 S HN 0.194 nan 8.310 nan 0.000 0.533 299 R N 1.963 122.464 120.500 0.003 0.000 2.297 299 R HA 0.256 4.597 4.340 0.001 0.000 0.308 299 R C 1.266 177.571 176.300 0.008 0.000 1.029 299 R CA -0.243 55.860 56.100 0.004 0.000 0.929 299 R CB 0.810 31.115 30.300 0.009 0.000 1.046 299 R HN 0.526 nan 8.270 nan 0.000 0.461 300 Q N 3.001 122.804 119.800 0.004 0.000 2.062 300 Q HA -0.272 4.069 4.340 0.001 0.000 0.209 300 Q C 1.488 177.500 176.000 0.019 0.000 0.996 300 Q CA 2.695 58.503 55.803 0.009 0.000 0.859 300 Q CB -0.034 28.706 28.738 0.003 0.000 0.920 300 Q HN 0.752 nan 8.270 nan 0.000 0.415 301 A N -0.243 122.587 122.820 0.017 0.000 1.940 301 A HA -0.146 4.174 4.320 0.001 0.000 0.219 301 A C 2.205 179.815 177.584 0.042 0.000 1.176 301 A CA 1.696 53.749 52.037 0.028 0.000 0.631 301 A CB -0.663 18.348 19.000 0.018 0.000 0.814 301 A HN 0.341 nan 8.150 nan 0.000 0.446 302 V N -0.375 119.562 119.914 0.038 0.000 2.379 302 V HA -0.277 3.843 4.120 0.001 0.000 0.245 302 V C 2.596 178.722 176.094 0.054 0.000 1.044 302 V CA 2.107 64.435 62.300 0.048 0.000 1.036 302 V CB -0.910 30.937 31.823 0.040 0.000 0.664 302 V HN 0.633 nan 8.190 nan 0.000 0.453 303 Q N 0.156 119.981 119.800 0.041 0.000 2.096 303 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 303 Q C 2.119 178.151 176.000 0.053 0.000 0.982 303 Q CA 1.898 57.725 55.803 0.040 0.000 0.850 303 Q CB -0.234 28.520 28.738 0.026 0.000 0.901 303 Q HN 0.596 nan 8.270 nan 0.000 0.422 304 N N -0.668 118.066 118.700 0.056 0.000 2.300 304 N HA -0.057 4.683 4.740 0.001 0.000 0.179 304 N C 1.590 177.169 175.510 0.114 0.000 1.016 304 N CA 1.163 54.253 53.050 0.067 0.000 0.876 304 N CB -0.276 38.243 38.487 0.053 0.000 0.979 304 N HN 0.138 nan 8.380 nan 0.000 0.432 305 T N 1.640 116.274 114.554 0.134 0.000 2.684 305 T HA -0.037 4.313 4.350 0.001 0.000 0.267 305 T C 2.030 176.865 174.700 0.224 0.000 1.036 305 T CA 0.816 63.041 62.100 0.208 0.000 1.148 305 T CB -0.306 68.639 68.868 0.129 0.000 0.863 305 T HN 0.136 nan 8.240 nan 0.000 0.436 306 L N 0.741 122.051 121.223 0.145 0.000 2.046 306 L HA -0.110 4.230 4.340 0.001 0.000 0.208 306 L C 3.063 180.001 176.870 0.114 0.000 1.077 306 L CA 1.320 56.238 54.840 0.129 0.000 0.747 306 L CB -0.714 41.398 42.059 0.089 0.000 0.896 306 L HN 0.247 nan 8.230 nan 0.000 0.432 307 A N 0.263 123.134 122.820 0.086 0.000 1.933 307 A HA -0.113 4.208 4.320 0.001 0.000 0.218 307 A C 2.391 179.999 177.584 0.041 0.000 1.175 307 A CA 1.674 53.742 52.037 0.052 0.000 0.628 307 A CB -1.142 17.877 19.000 0.032 0.000 0.814 307 A HN 0.457 nan 8.150 nan 0.000 0.444 308 G N -0.731 108.114 108.800 0.075 0.000 2.408 308 G HA2 -0.166 3.795 3.960 0.001 0.000 0.217 308 G HA3 -0.166 3.795 3.960 0.001 0.000 0.217 308 G C 1.619 176.496 174.900 -0.037 0.000 1.150 308 G CA 1.059 46.144 45.100 -0.026 0.000 0.776 308 G HN 0.470 nan 8.290 nan 0.000 0.542 309 M N 0.865 120.607 119.600 0.238 0.000 2.086 309 M HA -0.010 4.471 4.480 0.001 0.000 0.261 309 M C 3.077 179.441 176.300 0.106 0.000 1.067 309 M CA 1.497 56.963 55.300 0.277 0.000 1.116 309 M CB -0.292 32.489 32.600 0.302 0.000 1.348 309 M HN 0.296 nan 8.290 nan 0.000 0.407 310 A N 0.307 123.169 122.820 0.070 0.000 1.902 310 A HA -0.209 4.111 4.320 0.001 0.000 0.217 310 A C 2.170 179.745 177.584 -0.015 0.000 1.181 310 A CA 1.962 54.016 52.037 0.027 0.000 0.623 310 A CB -0.790 18.223 19.000 0.021 0.000 0.818 310 A HN 0.483 nan 8.150 nan 0.000 0.443 311 R N -0.466 120.007 120.500 -0.044 0.000 2.070 311 R HA -0.135 4.206 4.340 0.001 0.000 0.233 311 R C 2.405 178.644 176.300 -0.102 0.000 1.137 311 R CA 1.712 57.763 56.100 -0.082 0.000 0.945 311 R CB -0.276 29.957 30.300 -0.113 0.000 0.845 311 R HN 0.516 nan 8.270 nan 0.000 0.430 312 R N 0.024 120.447 120.500 -0.130 0.000 2.096 312 R HA -0.083 4.257 4.340 0.001 0.000 0.235 312 R C 2.365 178.631 176.300 -0.056 0.000 1.127 312 R CA 1.704 57.725 56.100 -0.131 0.000 0.968 312 R CB -0.331 29.859 30.300 -0.184 0.000 0.861 312 R HN 0.313 nan 8.270 nan 0.000 0.440 313 I N 0.421 120.986 120.570 -0.008 0.000 2.202 313 I HA -0.257 3.913 4.170 0.001 0.000 0.242 313 I C 1.987 178.067 176.117 -0.060 0.000 1.091 313 I CA 1.442 62.757 61.300 0.025 0.000 1.368 313 I CB -0.251 37.791 38.000 0.071 0.000 1.058 313 I HN 0.101 nan 8.210 nan 0.000 0.410 314 D N 0.285 120.643 120.400 -0.070 0.000 2.144 314 D HA -0.135 4.506 4.640 0.001 0.000 0.200 314 D C 2.195 178.411 176.300 -0.140 0.000 0.978 314 D CA 0.947 54.882 54.000 -0.108 0.000 0.833 314 D CB 0.161 40.915 40.800 -0.077 0.000 0.961 314 D HN 0.034 nan 8.370 nan 0.000 0.470 315 V N 0.616 120.462 119.914 -0.113 0.000 2.295 315 V HA -0.222 3.898 4.120 0.001 0.000 0.246 315 V C 2.500 178.530 176.094 -0.107 0.000 1.049 315 V CA 1.824 64.062 62.300 -0.103 0.000 1.024 315 V CB -0.868 30.892 31.823 -0.105 0.000 0.648 315 V HN 0.297 nan 8.190 nan 0.000 0.447 316 A N -0.054 122.692 122.820 -0.123 0.000 1.933 316 A HA -0.246 4.074 4.320 0.001 0.000 0.218 316 A C 2.395 179.774 177.584 -0.342 0.000 1.175 316 A CA 2.047 54.019 52.037 -0.107 0.000 0.628 316 A CB -0.540 18.453 19.000 -0.011 0.000 0.814 316 A HN 0.513 nan 8.150 nan 0.000 0.444 317 R N -0.422 119.673 120.500 -0.674 0.000 2.066 317 R HA -0.082 4.259 4.340 0.001 0.000 0.232 317 R C 1.916 177.829 176.300 -0.646 0.000 1.131 317 R CA 1.784 57.130 56.100 -1.257 0.000 0.955 317 R CB -0.480 29.228 30.300 -0.987 0.000 0.851 317 R HN 0.248 nan 8.270 nan 0.000 0.432 318 V N 0.391 120.089 119.914 -0.360 0.000 2.332 318 V HA -0.271 3.850 4.120 0.001 0.000 0.248 318 V C 2.012 178.036 176.094 -0.117 0.000 1.055 318 V CA 1.970 64.139 62.300 -0.218 0.000 1.038 318 V CB -0.679 31.069 31.823 -0.125 0.000 0.651 318 V HN 0.416 nan 8.190 nan 0.000 0.450 319 Y N 1.177 121.381 120.300 -0.160 0.000 2.200 319 Y HA -0.226 4.325 4.550 0.001 0.000 0.290 319 Y C 2.676 178.584 175.900 0.015 0.000 1.137 319 Y CA 2.195 60.265 58.100 -0.050 0.000 1.163 319 Y CB -0.375 38.058 38.460 -0.045 0.000 0.988 319 Y HN 0.243 nan 8.280 nan 0.000 0.518 320 T N 0.314 114.887 114.554 0.032 0.000 2.737 320 T HA -0.156 4.194 4.350 0.001 0.000 0.265 320 T C 1.878 176.548 174.700 -0.049 0.000 1.038 320 T CA 1.646 63.774 62.100 0.046 0.000 1.144 320 T CB -0.221 68.745 68.868 0.163 0.000 0.866 320 T HN 0.296 nan 8.240 nan 0.000 0.434 321 R N 0.016 120.396 120.500 -0.200 0.000 2.105 321 R HA -0.151 4.189 4.340 0.001 0.000 0.239 321 R C 2.408 178.762 176.300 0.090 0.000 1.135 321 R CA 1.751 57.714 56.100 -0.229 0.000 0.967 321 R CB -0.455 29.346 30.300 -0.832 0.000 0.861 321 R HN 0.567 nan 8.270 nan 0.000 0.442 322 H N 0.400 119.403 119.070 -0.112 0.000 2.387 322 H HA -0.073 4.484 4.556 0.001 0.000 0.299 322 H C 1.776 177.033 175.328 -0.119 0.000 1.090 322 H CA 1.699 57.681 56.048 -0.109 0.000 1.332 322 H CB 0.003 29.617 29.762 -0.248 0.000 1.386 322 H HN -0.066 nan 8.280 nan 0.000 0.516 323 V N -0.168 119.617 119.914 -0.216 0.000 2.343 323 V HA -0.242 3.878 4.120 0.001 0.000 0.247 323 V C 2.557 178.585 176.094 -0.110 0.000 1.051 323 V CA 1.534 63.713 62.300 -0.202 0.000 1.036 323 V CB -0.538 31.228 31.823 -0.096 0.000 0.654 323 V HN 0.368 nan 8.190 nan 0.000 0.451 324 V N -0.041 119.879 119.914 0.011 0.000 2.343 324 V HA -0.266 3.854 4.120 0.001 0.000 0.247 324 V C 2.391 178.503 176.094 0.030 0.000 1.051 324 V CA 2.080 64.428 62.300 0.080 0.000 1.036 324 V CB -0.740 31.243 31.823 0.267 0.000 0.654 324 V HN 0.605 nan 8.190 nan 0.000 0.451 325 E N -0.183 120.050 120.200 0.055 0.000 2.085 325 E HA -0.219 4.131 4.350 0.001 0.000 0.194 325 E C 2.491 179.021 176.600 -0.116 0.000 0.994 325 E CA 1.058 57.446 56.400 -0.020 0.000 0.801 325 E CB -0.172 29.552 29.700 0.040 0.000 0.743 325 E HN 0.370 nan 8.360 nan 0.000 0.453 326 R N 0.829 121.196 120.500 -0.222 0.000 2.092 326 R HA -0.076 4.264 4.340 0.001 0.000 0.231 326 R C 2.180 178.409 176.300 -0.118 0.000 1.119 326 R CA 1.094 57.070 56.100 -0.206 0.000 0.970 326 R CB -0.542 29.579 30.300 -0.299 0.000 0.864 326 R HN 0.386 nan 8.270 nan 0.000 0.440 327 Q N 0.327 120.069 119.800 -0.097 0.000 2.084 327 Q HA -0.064 4.276 4.340 0.001 0.000 0.202 327 Q C 2.193 178.157 176.000 -0.061 0.000 0.978 327 Q CA 1.193 56.958 55.803 -0.064 0.000 0.844 327 Q CB -0.157 28.553 28.738 -0.047 0.000 0.898 327 Q HN 0.284 nan 8.270 nan 0.000 0.426 328 L N -0.085 121.097 121.223 -0.068 0.000 2.201 328 L HA -0.075 4.266 4.340 0.001 0.000 0.212 328 L C 2.216 179.048 176.870 -0.064 0.000 1.105 328 L CA 0.582 55.379 54.840 -0.071 0.000 0.775 328 L CB -0.408 41.595 42.059 -0.094 0.000 0.913 328 L HN 0.154 nan 8.230 nan 0.000 0.440 329 A N -0.235 122.546 122.820 -0.064 0.000 2.235 329 A HA 0.239 4.560 4.320 0.001 0.000 0.208 329 A C 1.792 179.350 177.584 -0.043 0.000 1.172 329 A CA 0.861 52.867 52.037 -0.052 0.000 0.786 329 A CB -0.496 18.473 19.000 -0.053 0.000 0.804 329 A HN 0.537 nan 8.150 nan 0.000 0.479 330 G N -0.929 107.845 108.800 -0.044 0.000 2.157 330 G HA2 -0.201 3.759 3.960 0.001 0.000 0.239 330 G HA3 -0.201 3.759 3.960 0.001 0.000 0.239 330 G C -0.157 174.723 174.900 -0.033 0.000 0.982 330 G CA 0.129 45.208 45.100 -0.035 0.000 0.650 330 G HN 0.586 nan 8.290 nan 0.000 0.527 331 E N 0.587 120.762 120.200 -0.041 0.000 2.384 331 E HA 0.325 4.675 4.350 0.001 0.000 0.266 331 E C 1.626 178.205 176.600 -0.035 0.000 1.012 331 E CA 0.757 57.135 56.400 -0.037 0.000 0.901 331 E CB 0.709 30.380 29.700 -0.049 0.000 0.967 331 E HN 0.484 nan 8.360 nan 0.000 0.435 332 T N -0.531 114.007 114.554 -0.027 0.000 3.038 332 T HA -0.052 4.298 4.350 0.001 0.000 0.244 332 T C 0.726 175.411 174.700 -0.024 0.000 1.016 332 T CA -0.186 61.901 62.100 -0.023 0.000 1.098 332 T CB 0.139 68.997 68.868 -0.017 0.000 0.954 332 T HN 0.235 nan 8.240 nan 0.000 0.469 333 N N 1.144 119.829 118.700 -0.025 0.000 2.589 333 N HA 0.364 5.105 4.740 0.001 0.000 0.232 333 N C -0.350 175.136 175.510 -0.040 0.000 1.015 333 N CA -0.583 52.449 53.050 -0.030 0.000 0.931 333 N CB 0.239 38.708 38.487 -0.029 0.000 1.150 333 N HN 0.345 nan 8.380 nan 0.000 0.512 334 L N 3.905 125.101 121.223 -0.044 0.000 3.168 334 L HA 0.328 4.668 4.340 0.001 0.000 0.277 334 L C 1.344 178.172 176.870 -0.071 0.000 1.245 334 L CA -0.077 54.732 54.840 -0.053 0.000 1.035 334 L CB 0.130 42.162 42.059 -0.045 0.000 1.399 334 L HN 0.537 nan 8.230 nan 0.000 0.580 335 I N 0.575 121.098 120.570 -0.079 0.000 2.179 335 I HA -0.280 3.890 4.170 0.001 0.000 0.242 335 I C 2.729 178.743 176.117 -0.173 0.000 1.088 335 I CA 1.567 62.815 61.300 -0.086 0.000 1.357 335 I CB -0.133 37.830 38.000 -0.062 0.000 1.051 335 I HN 0.379 nan 8.210 nan 0.000 0.409 336 A N 0.507 123.164 122.820 -0.272 0.000 1.902 336 A HA -0.228 4.092 4.320 0.001 0.000 0.217 336 A C 2.115 179.213 177.584 -0.810 0.000 1.181 336 A CA 1.820 53.509 52.037 -0.579 0.000 0.623 336 A CB -0.523 18.098 19.000 -0.631 0.000 0.818 336 A HN 0.374 nan 8.150 nan 0.000 0.443 337 E N -0.492 119.472 120.200 -0.393 0.000 2.150 337 E HA -0.071 4.280 4.350 0.001 0.000 0.193 337 E C 1.922 178.582 176.600 0.099 0.000 0.985 337 E CA 1.060 57.433 56.400 -0.045 0.000 0.814 337 E CB -0.284 29.461 29.700 0.074 0.000 0.752 337 E HN 0.355 nan 8.360 nan 0.000 0.466 338 V N 0.117 120.028 119.914 -0.005 0.000 2.307 338 V HA -0.307 3.813 4.120 0.001 0.000 0.245 338 V C 2.256 178.384 176.094 0.055 0.000 1.045 338 V CA 1.554 63.882 62.300 0.047 0.000 1.024 338 V CB -0.450 31.382 31.823 0.015 0.000 0.651 338 V HN 0.458 nan 8.190 nan 0.000 0.449 339 C N -0.172 119.111 119.300 -0.029 0.000 2.398 339 C HA -0.196 4.264 4.460 0.001 0.000 0.276 339 C C 2.535 177.622 174.990 0.162 0.000 1.222 339 C CA 0.854 59.880 59.018 0.012 0.000 1.746 339 C CB -1.354 26.349 27.740 -0.063 0.000 2.039 339 C HN 0.520 nan 8.230 nan 0.000 0.470 340 F N 1.820 121.812 119.950 0.069 0.000 2.126 340 F HA -0.113 4.415 4.527 0.001 0.000 0.299 340 F C 2.563 178.369 175.800 0.010 0.000 1.096 340 F CA 1.112 59.117 58.000 0.008 0.000 1.255 340 F CB -1.705 37.292 39.000 -0.004 0.000 0.997 340 F HN 0.219 nan 8.300 nan 0.000 0.479 341 A N -0.159 122.902 122.820 0.401 0.000 1.877 341 A HA -0.242 4.079 4.320 0.001 0.000 0.216 341 A C 2.350 180.052 177.584 0.196 0.000 1.186 341 A CA 1.990 54.250 52.037 0.372 0.000 0.620 341 A CB -0.797 18.432 19.000 0.381 0.000 0.822 341 A HN 0.347 nan 8.150 nan 0.000 0.443 342 K N -0.258 120.228 120.400 0.144 0.000 2.057 342 K HA -0.123 4.198 4.320 0.001 0.000 0.206 342 K C 1.829 178.465 176.600 0.061 0.000 1.050 342 K CA 1.615 57.952 56.287 0.083 0.000 0.935 342 K CB -0.301 32.226 32.500 0.045 0.000 0.715 342 K HN 0.640 nan 8.250 nan 0.000 0.439 343 N N -0.726 118.014 118.700 0.067 0.000 2.188 343 N HA -0.100 4.640 4.740 0.001 0.000 0.184 343 N C 1.380 176.898 175.510 0.014 0.000 1.018 343 N CA 1.432 54.506 53.050 0.039 0.000 0.858 343 N CB 0.055 38.576 38.487 0.057 0.000 0.989 343 N HN 0.196 nan 8.380 nan 0.000 0.426 344 T N 0.633 115.188 114.554 0.003 0.000 2.777 344 T HA -0.051 4.299 4.350 0.001 0.000 0.266 344 T C 2.055 176.756 174.700 0.002 0.000 1.040 344 T CA 1.123 63.196 62.100 -0.045 0.000 1.141 344 T CB -0.197 68.591 68.868 -0.133 0.000 0.868 344 T HN 0.287 nan 8.240 nan 0.000 0.444 345 A N 0.951 123.805 122.820 0.056 0.000 1.930 345 A HA -0.004 4.316 4.320 0.001 0.000 0.217 345 A C 2.564 180.188 177.584 0.066 0.000 1.175 345 A CA 1.097 53.195 52.037 0.101 0.000 0.627 345 A CB -0.955 18.152 19.000 0.178 0.000 0.815 345 A HN 0.338 nan 8.150 nan 0.000 0.443 346 V N 0.161 120.097 119.914 0.036 0.000 2.287 346 V HA -0.295 3.826 4.120 0.001 0.000 0.248 346 V C 2.546 178.656 176.094 0.026 0.000 1.053 346 V CA 2.386 64.693 62.300 0.013 0.000 1.027 346 V CB -0.718 31.099 31.823 -0.011 0.000 0.646 346 V HN 0.784 nan 8.190 nan 0.000 0.447 347 E N 0.177 120.391 120.200 0.024 0.000 2.051 347 E HA -0.246 4.105 4.350 0.001 0.000 0.192 347 E C 2.248 178.894 176.600 0.077 0.000 0.991 347 E CA 1.464 57.886 56.400 0.037 0.000 0.799 347 E CB -0.232 29.467 29.700 -0.000 0.000 0.748 347 E HN 0.557 nan 8.360 nan 0.000 0.449 348 A N 0.762 123.614 122.820 0.052 0.000 1.883 348 A HA -0.121 4.199 4.320 0.001 0.000 0.217 348 A C 2.444 180.126 177.584 0.163 0.000 1.186 348 A CA 1.911 53.995 52.037 0.078 0.000 0.624 348 A CB -1.270 17.756 19.000 0.043 0.000 0.822 348 A HN 0.465 nan 8.150 nan 0.000 0.444 349 G N -0.803 108.070 108.800 0.122 0.000 2.408 349 G HA2 -0.168 3.792 3.960 0.001 0.000 0.217 349 G HA3 -0.168 3.792 3.960 0.001 0.000 0.217 349 G C 1.438 176.404 174.900 0.110 0.000 1.150 349 G CA 0.925 46.094 45.100 0.115 0.000 0.776 349 G HN 0.643 nan 8.290 nan 0.000 0.542 350 E N -0.725 119.527 120.200 0.088 0.000 2.077 350 E HA -0.161 4.189 4.350 0.001 0.000 0.193 350 E C 2.025 178.709 176.600 0.140 0.000 0.989 350 E CA 0.826 57.259 56.400 0.055 0.000 0.800 350 E CB -0.210 29.505 29.700 0.025 0.000 0.746 350 E HN 0.644 nan 8.360 nan 0.000 0.452 351 W N 0.881 122.195 121.300 0.022 0.000 2.354 351 W HA -0.227 4.433 4.660 0.001 0.000 0.315 351 W C 2.113 178.669 176.519 0.062 0.000 1.206 351 W CA 1.314 58.682 57.345 0.040 0.000 1.290 351 W CB -0.287 29.187 29.460 0.024 0.000 1.152 351 W HN -0.185 nan 8.180 nan 0.000 0.489 352 V N 1.190 121.363 119.914 0.432 0.000 2.287 352 V HA -0.334 3.787 4.120 0.001 0.000 0.248 352 V C 2.448 178.617 176.094 0.126 0.000 1.053 352 V CA 2.283 64.762 62.300 0.299 0.000 1.027 352 V CB -1.762 30.238 31.823 0.295 0.000 0.646 352 V HN 0.350 nan 8.190 nan 0.000 0.447 353 A N 0.284 123.182 122.820 0.130 0.000 1.933 353 A HA -0.288 4.033 4.320 0.001 0.000 0.218 353 A C 2.066 179.764 177.584 0.191 0.000 1.175 353 A CA 2.363 54.487 52.037 0.147 0.000 0.628 353 A CB -0.828 18.246 19.000 0.122 0.000 0.814 353 A HN 0.628 nan 8.150 nan 0.000 0.444 354 N N -0.619 118.168 118.700 0.144 0.000 2.142 354 N HA -0.149 4.591 4.740 0.001 0.000 0.186 354 N C 1.838 177.288 175.510 -0.100 0.000 1.023 354 N CA 1.619 54.733 53.050 0.106 0.000 0.852 354 N CB -0.216 38.293 38.487 0.038 0.000 0.998 354 N HN 0.380 nan 8.380 nan 0.000 0.424 355 Q N -0.101 119.549 119.800 -0.249 0.000 2.224 355 Q HA 0.045 4.385 4.340 0.001 0.000 0.203 355 Q C 1.976 177.927 176.000 -0.082 0.000 0.970 355 Q CA 1.178 56.809 55.803 -0.286 0.000 0.865 355 Q CB -0.485 27.922 28.738 -0.551 0.000 0.922 355 Q HN 0.521 nan 8.270 nan 0.000 0.445 356 A N 0.431 123.252 122.820 0.001 0.000 1.873 356 A HA -0.108 4.212 4.320 0.001 0.000 0.215 356 A C 2.454 180.101 177.584 0.105 0.000 1.186 356 A CA 1.367 53.468 52.037 0.107 0.000 0.616 356 A CB -0.708 18.365 19.000 0.122 0.000 0.823 356 A HN 0.186 nan 8.150 nan 0.000 0.442 357 V N -0.063 119.842 119.914 -0.015 0.000 2.282 357 V HA -0.334 3.786 4.120 0.001 0.000 0.249 357 V C 2.787 178.852 176.094 -0.048 0.000 1.057 357 V CA 2.537 64.777 62.300 -0.099 0.000 1.032 357 V CB -0.807 30.870 31.823 -0.243 0.000 0.645 357 V HN 0.702 nan 8.190 nan 0.000 0.447 358 Q N -0.198 119.566 119.800 -0.060 0.000 2.061 358 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 358 Q C 2.009 178.015 176.000 0.009 0.000 0.984 358 Q CA 1.933 57.708 55.803 -0.048 0.000 0.846 358 Q CB -0.457 28.233 28.738 -0.079 0.000 0.902 358 Q HN 0.632 nan 8.270 nan 0.000 0.421 359 L N -1.035 120.211 121.223 0.038 0.000 2.201 359 L HA -0.070 4.270 4.340 0.001 0.000 0.212 359 L C 1.690 178.584 176.870 0.041 0.000 1.105 359 L CA 0.540 55.426 54.840 0.076 0.000 0.775 359 L CB -0.227 41.885 42.059 0.088 0.000 0.913 359 L HN 0.238 nan 8.230 nan 0.000 0.440 360 F N -0.111 119.671 119.950 -0.280 0.000 2.558 360 F HA 0.063 4.590 4.527 0.001 0.000 0.298 360 F C 1.919 177.517 175.800 -0.337 0.000 1.119 360 F CA 0.698 58.249 58.000 -0.748 0.000 1.451 360 F CB -0.348 38.165 39.000 -0.812 0.000 1.091 360 F HN 0.193 nan 8.300 nan 0.000 0.563 361 G N 0.451 109.269 108.800 0.031 0.000 2.547 361 G HA2 -0.345 3.616 3.960 0.001 0.000 0.271 361 G HA3 -0.345 3.616 3.960 0.001 0.000 0.271 361 G C 1.276 176.182 174.900 0.011 0.000 1.209 361 G CA -0.092 45.035 45.100 0.045 0.000 0.959 361 G HN 0.504 nan 8.290 nan 0.000 0.563 362 G N -0.971 107.848 108.800 0.032 0.000 2.450 362 G HA2 0.002 3.963 3.960 0.001 0.000 0.220 362 G HA3 0.002 3.963 3.960 0.001 0.000 0.220 362 G C 1.822 176.744 174.900 0.038 0.000 1.130 362 G CA 2.331 47.447 45.100 0.027 0.000 0.760 362 G HN 1.025 nan 8.290 nan 0.000 0.557 363 M N 1.849 121.456 119.600 0.012 0.000 2.267 363 M HA 0.099 4.580 4.480 0.001 0.000 0.263 363 M C 2.328 178.545 176.300 -0.138 0.000 1.063 363 M CA 1.576 56.847 55.300 -0.048 0.000 1.090 363 M CB -0.633 31.893 32.600 -0.123 0.000 1.392 363 M HN 0.089 nan 8.290 nan 0.000 0.422 364 G N -1.859 106.857 108.800 -0.140 0.000 2.534 364 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 364 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 364 G C 1.127 175.952 174.900 -0.124 0.000 1.128 364 G CA 0.356 45.318 45.100 -0.229 0.000 0.784 364 G HN 0.573 nan 8.290 nan 0.000 0.542 365 Y N 0.423 120.616 120.300 -0.179 0.000 2.457 365 Y HA 0.421 4.972 4.550 0.001 0.000 0.263 365 Y C 1.032 176.868 175.900 -0.106 0.000 1.164 365 Y CA -0.501 57.511 58.100 -0.148 0.000 1.274 365 Y CB 0.281 38.672 38.460 -0.116 0.000 1.097 365 Y HN -0.043 nan 8.280 nan 0.000 0.523 366 M N -0.293 119.279 119.600 -0.047 0.000 2.233 366 M HA 0.284 4.765 4.480 0.001 0.000 0.355 366 M C 1.531 177.771 176.300 -0.100 0.000 1.191 366 M CA -0.080 55.183 55.300 -0.062 0.000 1.101 366 M CB 1.009 33.596 32.600 -0.021 0.000 1.592 366 M HN 0.237 nan 8.290 nan 0.000 0.461 367 A N 2.655 125.427 122.820 -0.080 0.000 2.076 367 A HA -0.169 4.151 4.320 0.001 0.000 0.220 367 A C 1.764 179.338 177.584 -0.015 0.000 1.160 367 A CA 1.814 53.821 52.037 -0.050 0.000 0.653 367 A CB -0.756 18.235 19.000 -0.014 0.000 0.801 367 A HN 0.915 nan 8.150 nan 0.000 0.455 368 E N -0.058 120.131 120.200 -0.020 0.000 2.333 368 E HA -0.046 4.305 4.350 0.001 0.000 0.198 368 E C 0.155 176.729 176.600 -0.043 0.000 1.007 368 E CA 0.910 57.299 56.400 -0.018 0.000 0.845 368 E CB -0.198 29.495 29.700 -0.013 0.000 0.766 368 E HN 0.394 nan 8.360 nan 0.000 0.507 369 S N 0.983 116.624 115.700 -0.099 0.000 2.480 369 S HA 0.054 4.525 4.470 0.001 0.000 0.286 369 S C 0.465 174.951 174.600 -0.191 0.000 1.180 369 S CA -0.602 57.486 58.200 -0.187 0.000 1.075 369 S CB 1.775 64.764 63.200 -0.352 0.000 0.996 369 S HN 0.286 nan 8.310 nan 0.000 0.487 370 E N 2.298 122.395 120.200 -0.172 0.000 2.153 370 E HA -0.124 4.227 4.350 0.001 0.000 0.194 370 E C 1.666 178.170 176.600 -0.161 0.000 0.988 370 E CA 0.773 57.103 56.400 -0.117 0.000 0.811 370 E CB 0.078 29.741 29.700 -0.061 0.000 0.746 370 E HN 0.485 nan 8.360 nan 0.000 0.466 371 V N 1.451 121.167 119.914 -0.330 0.000 2.594 371 V HA -0.219 3.902 4.120 0.001 0.000 0.253 371 V C 2.292 178.284 176.094 -0.169 0.000 1.069 371 V CA 2.119 64.240 62.300 -0.299 0.000 1.082 371 V CB -0.275 31.193 31.823 -0.590 0.000 0.680 371 V HN 0.364 nan 8.190 nan 0.000 0.469 372 E N 0.499 120.580 120.200 -0.198 0.000 2.051 372 E HA -0.280 4.071 4.350 0.001 0.000 0.192 372 E C 2.407 178.992 176.600 -0.024 0.000 0.991 372 E CA 1.808 58.133 56.400 -0.126 0.000 0.799 372 E CB -0.292 29.307 29.700 -0.169 0.000 0.748 372 E HN 0.628 nan 8.360 nan 0.000 0.449 373 R N -0.129 120.355 120.500 -0.027 0.000 2.092 373 R HA -0.098 4.242 4.340 0.001 0.000 0.231 373 R C 2.405 178.743 176.300 0.063 0.000 1.119 373 R CA 1.115 57.229 56.100 0.023 0.000 0.970 373 R CB 0.029 30.340 30.300 0.019 0.000 0.864 373 R HN 0.174 nan 8.270 nan 0.000 0.440 374 Q N -0.471 119.362 119.800 0.054 0.000 2.124 374 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 374 Q C 1.805 177.860 176.000 0.093 0.000 0.977 374 Q CA 1.505 57.357 55.803 0.082 0.000 0.850 374 Q CB -0.429 28.349 28.738 0.067 0.000 0.901 374 Q HN 0.468 nan 8.270 nan 0.000 0.429 375 Y N 1.538 121.820 120.300 -0.030 0.000 2.181 375 Y HA -0.181 4.370 4.550 0.001 0.000 0.288 375 Y C 2.342 178.225 175.900 -0.027 0.000 1.146 375 Y CA 1.567 59.649 58.100 -0.031 0.000 1.164 375 Y CB 0.043 38.473 38.460 -0.050 0.000 0.982 375 Y HN -0.029 nan 8.280 nan 0.000 0.515 376 R N -0.133 120.409 120.500 0.071 0.000 2.075 376 R HA -0.134 4.206 4.340 0.001 0.000 0.232 376 R C 1.684 177.944 176.300 -0.067 0.000 1.126 376 R CA 1.526 57.615 56.100 -0.018 0.000 0.963 376 R CB -0.310 30.014 30.300 0.040 0.000 0.858 376 R HN 0.353 nan 8.270 nan 0.000 0.435 377 D N 0.450 120.861 120.400 0.019 0.000 2.178 377 D HA -0.145 4.496 4.640 0.001 0.000 0.202 377 D C 1.687 177.964 176.300 -0.038 0.000 0.974 377 D CA 0.975 55.023 54.000 0.081 0.000 0.841 377 D CB -0.074 40.885 40.800 0.265 0.000 0.953 377 D HN 0.026 nan 8.370 nan 0.000 0.478 378 M N 0.434 119.995 119.600 -0.065 0.000 2.213 378 M HA -0.091 4.390 4.480 0.001 0.000 0.263 378 M C 1.777 177.962 176.300 -0.192 0.000 1.062 378 M CA 1.211 56.448 55.300 -0.104 0.000 1.105 378 M CB 0.005 32.545 32.600 -0.101 0.000 1.385 378 M HN -0.251 nan 8.290 nan 0.000 0.417 379 R N 0.079 120.423 120.500 -0.261 0.000 2.237 379 R HA 0.042 4.383 4.340 0.001 0.000 0.219 379 R C 1.838 177.973 176.300 -0.275 0.000 1.080 379 R CA 1.092 57.029 56.100 -0.272 0.000 0.995 379 R CB -0.956 29.166 30.300 -0.297 0.000 0.875 379 R HN 0.605 nan 8.270 nan 0.000 0.462 380 I N -0.348 120.004 120.570 -0.364 0.000 2.761 380 I HA -0.116 4.054 4.170 0.001 0.000 0.261 380 I C 1.049 176.920 176.117 -0.410 0.000 1.198 380 I CA 0.633 61.643 61.300 -0.483 0.000 1.482 380 I CB 0.204 37.678 38.000 -0.875 0.000 1.100 380 I HN 0.190 nan 8.210 nan 0.000 0.445 381 L N 0.108 121.148 121.223 -0.304 0.000 2.217 381 L HA -0.020 4.320 4.340 0.001 0.000 0.211 381 L C 2.333 179.115 176.870 -0.147 0.000 1.107 381 L CA 1.075 55.794 54.840 -0.201 0.000 0.783 381 L CB -0.829 41.160 42.059 -0.115 0.000 0.919 381 L HN 0.299 nan 8.230 nan 0.000 0.442 382 G N -0.528 108.187 108.800 -0.142 0.000 2.920 382 G HA2 0.047 4.007 3.960 0.001 0.000 0.208 382 G HA3 0.047 4.007 3.960 0.001 0.000 0.208 382 G C 1.421 176.251 174.900 -0.117 0.000 1.159 382 G CA 0.112 45.148 45.100 -0.106 0.000 0.784 382 G HN 0.291 nan 8.290 nan 0.000 0.535 383 I N 0.161 120.635 120.570 -0.160 0.000 3.194 383 I HA 0.230 4.401 4.170 0.001 0.000 0.271 383 I C 1.869 177.891 176.117 -0.159 0.000 1.150 383 I CA 0.089 61.292 61.300 -0.162 0.000 1.440 383 I CB 0.008 37.883 38.000 -0.208 0.000 1.276 383 I HN 0.083 nan 8.210 nan 0.000 0.457 384 G N -0.095 108.591 108.800 -0.190 0.000 2.539 384 G HA2 0.386 4.346 3.960 0.001 0.000 0.258 384 G HA3 0.386 4.346 3.960 0.001 0.000 0.258 384 G C 0.902 175.732 174.900 -0.116 0.000 1.202 384 G CA 0.308 45.320 45.100 -0.146 0.000 0.851 384 G HN 0.577 nan 8.290 nan 0.000 0.556 385 G N -1.022 107.710 108.800 -0.113 0.000 2.198 385 G HA2 0.354 4.314 3.960 0.001 0.000 0.260 385 G HA3 0.354 4.314 3.960 0.001 0.000 0.260 385 G C 0.936 175.660 174.900 -0.292 0.000 1.025 385 G CA 0.847 45.831 45.100 -0.195 0.000 0.769 385 G HN 2.745 nan 8.290 nan 0.000 0.507 386 G N -1.384 107.266 108.800 -0.250 0.000 3.421 386 G HA2 0.448 4.408 3.960 0.001 0.000 0.686 386 G HA3 0.448 4.408 3.960 0.001 0.000 0.686 386 G C 0.278 175.107 174.900 -0.118 0.000 1.056 386 G CA 0.399 45.379 45.100 -0.200 0.000 0.891 386 G HN 2.411 nan 8.290 nan 0.000 0.514 387 T N 0.663 115.168 114.554 -0.083 0.000 2.855 387 T HA 0.460 4.810 4.350 0.001 0.000 0.314 387 T C 1.951 176.624 174.700 -0.044 0.000 1.077 387 T CA 0.958 63.020 62.100 -0.065 0.000 1.095 387 T CB 0.979 69.819 68.868 -0.047 0.000 0.987 387 T HN 1.009 nan 8.240 nan 0.000 0.546 388 T N 2.067 116.599 114.554 -0.037 0.000 2.649 388 T HA -0.184 4.166 4.350 0.001 0.000 0.268 388 T C 1.781 176.482 174.700 0.001 0.000 1.036 388 T CA 2.240 64.332 62.100 -0.015 0.000 1.157 388 T CB -0.522 68.338 68.868 -0.015 0.000 0.861 388 T HN 0.803 nan 8.240 nan 0.000 0.445 389 E N 0.522 120.721 120.200 -0.001 0.000 2.077 389 E HA -0.028 4.322 4.350 0.001 0.000 0.193 389 E C 2.213 178.825 176.600 0.019 0.000 0.989 389 E CA 0.594 57.001 56.400 0.013 0.000 0.800 389 E CB -0.317 29.389 29.700 0.010 0.000 0.746 389 E HN 0.336 nan 8.360 nan 0.000 0.452 390 I N 0.475 121.050 120.570 0.008 0.000 2.286 390 I HA -0.219 3.951 4.170 0.001 0.000 0.248 390 I C 2.076 178.201 176.117 0.012 0.000 1.115 390 I CA 1.313 62.620 61.300 0.013 0.000 1.392 390 I CB -0.816 37.182 38.000 -0.003 0.000 1.065 390 I HN 0.179 nan 8.210 nan 0.000 0.418 391 L N -0.313 120.911 121.223 0.002 0.000 2.156 391 L HA -0.138 4.203 4.340 0.001 0.000 0.208 391 L C 2.450 179.345 176.870 0.041 0.000 1.095 391 L CA 1.054 55.899 54.840 0.007 0.000 0.770 391 L CB -0.886 41.173 42.059 0.000 0.000 0.914 391 L HN 0.184 nan 8.230 nan 0.000 0.439 392 T N -0.922 113.666 114.554 0.058 0.000 2.777 392 T HA -0.139 4.211 4.350 0.001 0.000 0.266 392 T C 2.191 176.942 174.700 0.085 0.000 1.040 392 T CA 1.601 63.755 62.100 0.090 0.000 1.141 392 T CB -0.047 68.867 68.868 0.077 0.000 0.868 392 T HN 0.234 nan 8.240 nan 0.000 0.444 393 S N 1.337 117.075 115.700 0.063 0.000 2.368 393 S HA -0.040 4.431 4.470 0.001 0.000 0.225 393 S C 1.934 176.565 174.600 0.053 0.000 1.030 393 S CA 0.714 58.952 58.200 0.063 0.000 0.999 393 S CB -0.477 62.757 63.200 0.056 0.000 0.844 393 S HN 0.262 nan 8.310 nan 0.000 0.459 394 L N 1.898 123.144 121.223 0.037 0.000 2.083 394 L HA 0.006 4.346 4.340 0.001 0.000 0.209 394 L C 2.318 179.178 176.870 -0.017 0.000 1.083 394 L CA 1.788 56.639 54.840 0.018 0.000 0.752 394 L CB -1.043 41.024 42.059 0.012 0.000 0.899 394 L HN 0.239 nan 8.230 nan 0.000 0.433 395 A N -0.369 122.440 122.820 -0.019 0.000 1.883 395 A HA -0.150 4.171 4.320 0.001 0.000 0.217 395 A C 2.485 180.044 177.584 -0.042 0.000 1.186 395 A CA 2.022 54.020 52.037 -0.066 0.000 0.624 395 A CB -1.290 17.724 19.000 0.023 0.000 0.822 395 A HN 0.574 nan 8.150 nan 0.000 0.444 396 A N -0.238 122.613 122.820 0.052 0.000 1.892 396 A HA -0.237 4.084 4.320 0.001 0.000 0.218 396 A C 2.163 179.747 177.584 0.000 0.000 1.188 396 A CA 2.233 54.322 52.037 0.087 0.000 0.631 396 A CB -0.549 18.550 19.000 0.166 0.000 0.822 396 A HN 0.583 nan 8.150 nan 0.000 0.447 397 K N -1.038 119.368 120.400 0.010 0.000 2.009 397 K HA -0.160 4.161 4.320 0.001 0.000 0.210 397 K C 2.038 178.606 176.600 -0.054 0.000 1.049 397 K CA 1.981 58.269 56.287 0.001 0.000 0.929 397 K CB -0.422 32.092 32.500 0.024 0.000 0.714 397 K HN 0.465 nan 8.250 nan 0.000 0.440 398 T N 1.753 116.256 114.554 -0.085 0.000 2.788 398 T HA -0.107 4.243 4.350 0.001 0.000 0.268 398 T C 1.658 176.247 174.700 -0.184 0.000 1.044 398 T CA 1.235 63.266 62.100 -0.116 0.000 1.139 398 T CB -0.060 68.729 68.868 -0.131 0.000 0.867 398 T HN 0.195 nan 8.240 nan 0.000 0.454 399 L N 0.280 121.313 121.223 -0.316 0.000 2.554 399 L HA 0.245 4.585 4.340 0.001 0.000 0.226 399 L C 1.858 178.397 176.870 -0.551 0.000 1.137 399 L CA 0.375 54.875 54.840 -0.567 0.000 0.863 399 L CB -0.431 40.970 42.059 -1.096 0.000 0.985 399 L HN 0.487 nan 8.230 nan 0.000 0.451 400 G N -0.660 107.983 108.800 -0.262 0.000 2.137 400 G HA2 -0.287 3.673 3.960 0.001 0.000 0.237 400 G HA3 -0.287 3.673 3.960 0.001 0.000 0.237 400 G C 0.209 175.208 174.900 0.165 0.000 1.002 400 G CA -0.256 44.820 45.100 -0.041 0.000 0.702 400 G HN 0.215 nan 8.290 nan 0.000 0.515 401 F N 0.580 120.553 119.950 0.039 0.000 2.660 401 F HA 0.323 4.851 4.527 0.001 0.000 0.297 401 F C 1.876 177.696 175.800 0.034 0.000 1.132 401 F CA -0.219 57.804 58.000 0.038 0.000 1.372 401 F CB 0.184 39.212 39.000 0.047 0.000 1.003 401 F HN 0.398 nan 8.300 nan 0.000 0.524 402 Q N -0.396 119.521 119.800 0.195 0.000 2.247 402 Q HA 0.205 4.546 4.340 0.001 0.000 0.211 402 Q C 0.335 176.391 176.000 0.093 0.000 0.861 402 Q CA 0.010 55.886 55.803 0.123 0.000 0.949 402 Q CB 0.742 29.534 28.738 0.090 0.000 1.115 402 Q HN 0.329 nan 8.270 nan 0.000 0.507 403 S N 0.000 115.762 115.700 0.104 0.000 2.498 403 S HA 0.000 4.470 4.470 0.001 0.000 0.327 403 S CA 0.000 58.245 58.200 0.075 0.000 1.107 403 S CB 0.000 63.235 63.200 0.059 0.000 0.593 403 S HN 0.000 nan 8.310 nan 0.000 0.517