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 1a6e_1_A DATA FIRST_RESID 17 DATA SEQUENCE REQGKNAQRN NIEAAKAIAD AVRTTLGPKG MDKMLVDSIG DIIISNDGAT DATA SEQUENCE ILKEMDVEHP TAKMIVEVSK AQDTAVGDGT TTAVVLSGEL LKQAETLLDQ DATA SEQUENCE GVHPTVISNG YRLAVNEARK IIDEIAEKST DDATLRKIAL TALSGKNTGL DATA SEQUENCE SNDFLADLVV KAVNAVAEVR DGKTIVDTAN IKVDKKNGGS VNDTQFISGI DATA SEQUENCE VIDKEKVHSK MPDVVKNAKI ALIDSALEIK KTEIEAKVQI SDPSKIQDFL DATA SEQUENCE NQETNTFKQM VEKIKKSGAN VVLCQKGIDD VAQHYLAKEG IYAVRRVKKS DATA SEQUENCE DMEKLAKATG AKIVTDLDDL TPSVLGEAET VEERKIGDDR MTFVMGCKNP DATA SEQUENCE KAVSILIRGG TDHVVSEVER ALNDAIRVVA ITKEDGKFLW GGGAVEAELA DATA SEQUENCE MRLAKYANSV GGREQLAIEA FAKALEIIPR TLAENAGIDP INTLIKLKAD DATA SEQUENCE DEKGRISVGV DLDNNGVGDM KAKGVVDPLR VKTHALESAV EVATMILRID DATA SEQUENCE DVI 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 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.298 176.300 -0.003 0.000 0.893 17 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 17 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 18 E N 4.839 125.041 120.200 0.003 0.000 2.256 18 E HA 0.303 nan 4.350 nan 0.000 0.268 18 E C -1.761 174.844 176.600 0.008 0.000 0.877 18 E CA -1.058 55.346 56.400 0.007 0.000 0.757 18 E CB 3.301 33.010 29.700 0.014 0.000 1.183 18 E HN 0.611 8.866 8.360 0.005 0.108 0.418 19 Q N 2.571 122.375 119.800 0.006 0.000 2.301 19 Q HA 0.565 nan 4.340 nan 0.000 0.267 19 Q C 1.209 177.210 176.000 0.001 0.000 1.035 19 Q CA -1.043 54.763 55.803 0.004 0.000 0.856 19 Q CB 3.402 32.142 28.738 0.003 0.000 1.337 19 Q HN 0.437 8.710 8.270 0.005 0.000 0.450 20 G N 5.465 114.263 108.800 -0.003 0.000 2.652 20 G HA2 -0.578 nan 3.960 nan 0.000 0.318 20 G HA3 -0.578 nan 3.960 nan 0.000 0.318 20 G C -0.022 174.872 174.900 -0.011 0.000 1.295 20 G CA 1.566 46.659 45.100 -0.011 0.000 0.999 20 G HN 0.527 8.815 8.290 -0.003 0.000 0.548 21 K N 2.877 123.271 120.400 -0.011 0.000 2.052 21 K HA -0.478 nan 4.320 nan 0.000 0.215 21 K C 1.982 178.582 176.600 -0.000 0.000 1.053 21 K CA 3.965 60.246 56.287 -0.009 0.000 0.934 21 K CB -0.351 32.145 32.500 -0.006 0.000 0.717 21 K HN 0.189 8.432 8.250 -0.011 0.000 0.450 22 N N -1.639 117.063 118.700 0.004 0.000 2.005 22 N HA -0.370 nan 4.740 nan 0.000 0.199 22 N C 1.455 176.977 175.510 0.019 0.000 1.054 22 N CA 2.967 56.023 53.050 0.011 0.000 0.864 22 N CB -0.595 37.898 38.487 0.010 0.000 1.063 22 N HN -0.358 8.023 8.380 0.002 0.000 0.428 23 A N -0.679 122.152 122.820 0.018 0.000 1.869 23 A HA -0.441 nan 4.320 nan 0.000 0.218 23 A C 2.488 180.088 177.584 0.027 0.000 1.203 23 A CA 3.111 55.166 52.037 0.028 0.000 0.638 23 A CB -0.800 18.212 19.000 0.020 0.000 0.831 23 A HN -0.708 7.449 8.150 0.012 0.000 0.450 24 Q N -1.825 117.980 119.800 0.009 0.000 1.975 24 Q HA -0.461 nan 4.340 nan 0.000 0.205 24 Q C 2.356 178.359 176.000 0.005 0.000 0.990 24 Q CA 3.413 59.216 55.803 0.000 0.000 0.845 24 Q CB -0.218 28.510 28.738 -0.017 0.000 0.913 24 Q HN 0.050 8.322 8.270 0.002 0.000 0.420 25 R N -0.698 119.805 120.500 0.005 0.000 2.117 25 R HA -0.435 nan 4.340 nan 0.000 0.243 25 R C 2.231 178.540 176.300 0.014 0.000 1.143 25 R CA 3.243 59.348 56.100 0.007 0.000 0.968 25 R CB -0.300 30.005 30.300 0.008 0.000 0.863 25 R HN 0.110 8.382 8.270 0.003 0.000 0.444 26 N N -0.865 117.853 118.700 0.030 0.000 2.120 26 N HA -0.289 nan 4.740 nan 0.000 0.188 26 N C 1.970 177.506 175.510 0.043 0.000 1.024 26 N CA 3.437 56.522 53.050 0.058 0.000 0.852 26 N CB -0.205 38.335 38.487 0.088 0.000 1.003 26 N HN 0.145 8.538 8.380 0.029 0.004 0.424 27 N N 0.792 119.505 118.700 0.022 0.000 2.120 27 N HA -0.289 nan 4.740 nan 0.000 0.188 27 N C 2.425 177.889 175.510 -0.076 0.000 1.024 27 N CA 3.183 56.206 53.050 -0.045 0.000 0.852 27 N CB 0.186 38.668 38.487 -0.009 0.000 1.003 27 N HN 0.119 8.329 8.380 0.034 0.191 0.424 28 I N 0.564 121.115 120.570 -0.032 0.000 2.286 28 I HA -0.521 nan 4.170 nan 0.000 0.248 28 I C 1.800 177.896 176.117 -0.035 0.000 1.115 28 I CA 4.274 65.559 61.300 -0.025 0.000 1.392 28 I CB -0.403 37.596 38.000 -0.003 0.000 1.065 28 I HN 0.507 8.709 8.210 -0.014 0.000 0.418 29 E N -0.854 119.329 120.200 -0.028 0.000 2.077 29 E HA -0.336 nan 4.350 nan 0.000 0.193 29 E C 2.392 178.963 176.600 -0.048 0.000 0.989 29 E CA 2.889 59.277 56.400 -0.021 0.000 0.800 29 E CB -0.818 28.886 29.700 0.005 0.000 0.746 29 E HN -0.022 8.242 8.360 -0.016 0.086 0.452 30 A N -0.657 122.094 122.820 -0.115 0.000 1.845 30 A HA -0.258 nan 4.320 nan 0.000 0.215 30 A C 1.958 179.450 177.584 -0.154 0.000 1.195 30 A CA 3.106 55.014 52.037 -0.215 0.000 0.616 30 A CB -0.877 17.701 19.000 -0.703 0.000 0.832 30 A HN 0.036 8.042 8.150 -0.116 0.074 0.443 31 A N -1.782 120.951 122.820 -0.146 0.000 1.892 31 A HA -0.401 nan 4.320 nan 0.000 0.218 31 A C 1.929 179.479 177.584 -0.055 0.000 1.188 31 A CA 3.256 55.240 52.037 -0.088 0.000 0.631 31 A CB -1.054 17.907 19.000 -0.065 0.000 0.822 31 A HN -0.228 7.822 8.150 -0.167 0.000 0.447 32 K N -1.317 119.056 120.400 -0.045 0.000 2.020 32 K HA -0.385 nan 4.320 nan 0.000 0.212 32 K C 1.954 178.538 176.600 -0.027 0.000 1.050 32 K CA 3.025 59.294 56.287 -0.030 0.000 0.929 32 K CB -0.054 32.433 32.500 -0.022 0.000 0.714 32 K HN -0.193 8.028 8.250 -0.049 0.000 0.443 33 A N -1.059 121.744 122.820 -0.027 0.000 1.859 33 A HA -0.283 nan 4.320 nan 0.000 0.217 33 A C 2.291 179.864 177.584 -0.017 0.000 1.198 33 A CA 2.978 55.004 52.037 -0.017 0.000 0.629 33 A CB -0.823 18.171 19.000 -0.010 0.000 0.830 33 A HN -0.451 7.679 8.150 -0.033 0.000 0.446 34 I N -1.437 119.119 120.570 -0.024 0.000 2.264 34 I HA -0.482 nan 4.170 nan 0.000 0.248 34 I C 1.342 177.448 176.117 -0.019 0.000 1.111 34 I CA 1.530 62.819 61.300 -0.019 0.000 1.382 34 I CB -0.350 37.636 38.000 -0.024 0.000 1.060 34 I HN -0.502 7.686 8.210 -0.036 0.000 0.418 35 A N -1.280 121.526 122.820 -0.024 0.000 1.930 35 A HA -0.312 nan 4.320 nan 0.000 0.217 35 A C 2.094 179.666 177.584 -0.020 0.000 1.175 35 A CA 3.124 55.147 52.037 -0.023 0.000 0.627 35 A CB -0.776 18.207 19.000 -0.028 0.000 0.815 35 A HN 0.018 8.069 8.150 -0.029 0.082 0.443 36 D N -1.581 118.808 120.400 -0.017 0.000 2.224 36 D HA -0.193 nan 4.640 nan 0.000 0.205 36 D C 1.717 178.010 176.300 -0.012 0.000 0.965 36 D CA 2.776 56.767 54.000 -0.014 0.000 0.852 36 D CB -0.213 40.580 40.800 -0.012 0.000 0.947 36 D HN -0.362 7.901 8.370 -0.018 0.096 0.494 37 A N -1.815 120.999 122.820 -0.011 0.000 1.978 37 A HA -0.190 nan 4.320 nan 0.000 0.220 37 A C 1.623 179.202 177.584 -0.010 0.000 1.170 37 A CA 2.870 54.902 52.037 -0.009 0.000 0.636 37 A CB -0.084 18.912 19.000 -0.007 0.000 0.810 37 A HN -0.270 7.760 8.150 -0.011 0.113 0.448 38 V N -7.895 112.012 119.914 -0.012 0.000 3.661 38 V HA 0.121 nan 4.120 nan 0.000 0.271 38 V C 1.361 177.447 176.094 -0.012 0.000 1.315 38 V CA 0.551 62.844 62.300 -0.012 0.000 1.072 38 V CB -0.719 31.097 31.823 -0.012 0.000 0.830 38 V HN -0.782 7.376 8.190 -0.013 0.024 0.443 39 R N 2.474 122.965 120.500 -0.014 0.000 2.134 39 R HA -0.419 nan 4.340 nan 0.000 0.248 39 R C 1.647 177.940 176.300 -0.012 0.000 1.143 39 R CA 3.762 59.854 56.100 -0.015 0.000 0.957 39 R CB -0.256 30.035 30.300 -0.015 0.000 0.867 39 R HN -0.361 7.779 8.270 -0.014 0.121 0.441 40 T N -5.427 109.120 114.554 -0.010 0.000 3.163 40 T HA -0.002 nan 4.350 nan 0.000 0.260 40 T C 1.281 175.976 174.700 -0.008 0.000 1.156 40 T CA 2.356 64.451 62.100 -0.008 0.000 1.072 40 T CB -1.065 67.799 68.868 -0.008 0.000 0.937 40 T HN 0.188 8.416 8.240 -0.010 0.005 0.528 41 T N -1.302 113.247 114.554 -0.009 0.000 3.107 41 T HA 0.093 nan 4.350 nan 0.000 0.249 41 T C 0.172 174.868 174.700 -0.007 0.000 1.096 41 T CA 0.186 62.282 62.100 -0.008 0.000 1.012 41 T CB -0.190 68.673 68.868 -0.009 0.000 0.977 41 T HN 0.138 8.198 8.240 -0.010 0.174 0.527 42 L N 3.290 124.509 121.223 -0.008 0.000 2.410 42 L HA -0.103 nan 4.340 nan 0.000 0.273 42 L C -0.140 176.727 176.870 -0.004 0.000 1.152 42 L CA 1.291 56.127 54.840 -0.007 0.000 0.855 42 L CB 0.391 42.444 42.059 -0.010 0.000 1.129 42 L HN -0.692 7.477 8.230 -0.009 0.055 0.463 43 G N 4.026 112.825 108.800 -0.002 0.000 2.760 43 G HA2 -0.253 nan 3.960 nan 0.000 0.246 43 G HA3 -0.253 nan 3.960 nan 0.000 0.246 43 G C -1.680 173.221 174.900 0.002 0.000 1.359 43 G CA -0.640 44.461 45.100 0.001 0.000 0.861 43 G HN -0.399 7.889 8.290 -0.003 0.000 0.541 44 P HA -0.164 nan 4.420 nan 0.000 0.211 44 P C 0.409 177.711 177.300 0.003 0.000 1.179 44 P CA 1.717 64.820 63.100 0.004 0.000 0.910 44 P CB 0.218 31.922 31.700 0.006 0.000 0.785 45 K N -1.481 118.921 120.400 0.003 0.000 3.077 45 K HA -0.033 nan 4.320 nan 0.000 0.269 45 K C -0.025 176.575 176.600 0.000 0.000 0.973 45 K CA -0.839 55.449 56.287 0.002 0.000 1.162 45 K CB -2.584 29.917 32.500 0.002 0.000 1.079 45 K HN 0.071 8.323 8.250 0.003 0.000 0.456 46 G N -0.447 108.353 108.800 -0.000 0.000 2.572 46 G HA2 0.108 nan 3.960 nan 0.000 0.261 46 G HA3 0.108 nan 3.960 nan 0.000 0.261 46 G C -1.645 173.253 174.900 -0.002 0.000 1.197 46 G CA -0.414 44.684 45.100 -0.002 0.000 0.870 46 G HN -0.193 7.993 8.290 0.001 0.104 0.548 47 M N -0.751 118.847 119.600 -0.004 0.000 2.811 47 M HA 0.342 nan 4.480 nan 0.000 0.303 47 M C -0.979 175.316 176.300 -0.008 0.000 1.227 47 M CA -2.104 53.193 55.300 -0.006 0.000 0.874 47 M CB 2.697 35.294 32.600 -0.006 0.000 1.681 47 M HN 0.344 8.631 8.290 -0.005 0.000 0.500 48 D N -0.670 119.724 120.400 -0.011 0.000 2.374 48 D HA 0.414 nan 4.640 nan 0.000 0.239 48 D C -1.358 174.930 176.300 -0.020 0.000 0.991 48 D CA -0.851 53.139 54.000 -0.016 0.000 0.960 48 D CB 2.144 42.932 40.800 -0.020 0.000 1.284 48 D HN 0.018 8.381 8.370 -0.010 0.000 0.512 49 K N -0.618 119.768 120.400 -0.025 0.000 2.281 49 K HA 0.392 nan 4.320 nan 0.000 0.242 49 K C -1.581 174.995 176.600 -0.040 0.000 0.971 49 K CA -2.016 54.256 56.287 -0.026 0.000 0.834 49 K CB 2.654 35.141 32.500 -0.021 0.000 1.181 49 K HN 0.617 8.851 8.250 -0.026 0.000 0.435 50 M N 2.497 122.073 119.600 -0.039 0.000 2.053 50 M HA 0.474 nan 4.480 nan 0.000 0.297 50 M C -1.601 174.675 176.300 -0.040 0.000 0.921 50 M CA -1.206 54.061 55.300 -0.055 0.000 0.918 50 M CB 1.002 33.569 32.600 -0.055 0.000 1.499 50 M HN 0.171 8.443 8.290 -0.030 0.000 0.422 51 L N 7.108 128.306 121.223 -0.042 0.000 2.295 51 L HA 0.395 nan 4.340 nan 0.000 0.285 51 L C -2.079 174.777 176.870 -0.023 0.000 1.035 51 L CA -0.930 53.895 54.840 -0.025 0.000 0.806 51 L CB 1.078 43.125 42.059 -0.019 0.000 1.214 51 L HN 0.843 9.040 8.230 -0.055 0.000 0.426 52 V N 2.095 122.002 119.914 -0.012 0.000 2.531 52 V HA 0.392 nan 4.120 nan 0.000 0.301 52 V C -1.129 174.967 176.094 0.003 0.000 1.034 52 V CA -2.340 59.958 62.300 -0.003 0.000 0.865 52 V CB 2.364 34.187 31.823 -0.000 0.000 0.995 52 V HN 0.052 8.237 8.190 -0.009 0.000 0.424 53 D N 8.092 128.497 120.400 0.008 0.000 2.311 53 D HA 0.280 nan 4.640 nan 0.000 0.278 53 D C -0.351 175.955 176.300 0.010 0.000 1.189 53 D CA -0.043 53.962 54.000 0.009 0.000 1.117 53 D CB 0.691 41.497 40.800 0.011 0.000 1.168 53 D HN 0.123 8.397 8.370 0.011 0.103 0.509 54 S N -2.519 113.188 115.700 0.011 0.000 2.564 54 S HA -0.020 nan 4.470 nan 0.000 0.231 54 S C -0.298 174.309 174.600 0.012 0.000 1.067 54 S CA 0.953 59.159 58.200 0.010 0.000 0.908 54 S CB 1.203 64.408 63.200 0.008 0.000 0.809 54 S HN 0.407 8.724 8.310 0.011 0.000 0.491 55 I N 0.243 120.822 120.570 0.014 0.000 3.674 55 I HA 0.119 nan 4.170 nan 0.000 0.248 55 I C 1.008 177.136 176.117 0.019 0.000 1.134 55 I CA 0.104 61.413 61.300 0.014 0.000 1.519 55 I CB 0.670 38.678 38.000 0.012 0.000 1.598 55 I HN -0.636 7.797 8.210 0.014 -0.216 0.442 56 G N -1.559 107.253 108.800 0.021 0.000 2.529 56 G HA2 -0.268 nan 3.960 nan 0.000 0.219 56 G HA3 -0.268 nan 3.960 nan 0.000 0.219 56 G C -0.362 174.562 174.900 0.040 0.000 1.177 56 G CA 0.984 46.101 45.100 0.028 0.000 0.773 56 G HN 0.097 8.468 8.290 0.018 -0.070 0.573 57 D N -1.050 119.373 120.400 0.037 0.000 4.835 57 D HA -0.265 nan 4.640 nan 0.000 0.133 57 D C -0.716 175.609 176.300 0.041 0.000 0.703 57 D CA 1.239 55.264 54.000 0.041 0.000 0.979 57 D CB -0.497 40.331 40.800 0.047 0.000 0.651 57 D HN -0.092 8.705 8.370 0.029 -0.409 0.599 58 I N 2.923 123.532 120.570 0.064 0.000 2.533 58 I HA 0.026 nan 4.170 nan 0.000 0.284 58 I C 0.054 176.147 176.117 -0.040 0.000 1.109 58 I CA 1.293 62.600 61.300 0.012 0.000 1.412 58 I CB 0.457 38.474 38.000 0.030 0.000 1.396 58 I HN -0.104 8.164 8.210 0.098 0.000 0.543 59 I N 7.959 128.465 120.570 -0.106 0.000 2.478 59 I HA 0.323 nan 4.170 nan 0.000 0.287 59 I C -1.900 174.119 176.117 -0.163 0.000 1.042 59 I CA -1.108 60.121 61.300 -0.119 0.000 1.067 59 I CB 2.966 40.946 38.000 -0.034 0.000 1.233 59 I HN 0.858 9.018 8.210 -0.082 0.000 0.431 60 I N 6.981 127.414 120.570 -0.228 0.000 2.418 60 I HA 0.600 nan 4.170 nan 0.000 0.287 60 I C -1.359 174.703 176.117 -0.090 0.000 1.008 60 I CA -1.083 60.118 61.300 -0.165 0.000 1.104 60 I CB 2.033 39.901 38.000 -0.220 0.000 1.264 60 I HN 0.300 8.345 8.210 -0.275 0.000 0.438 61 S N 5.858 121.526 115.700 -0.054 0.000 2.625 61 S HA 0.387 nan 4.470 nan 0.000 0.271 61 S C -2.006 172.582 174.600 -0.021 0.000 1.161 61 S CA -1.341 56.842 58.200 -0.029 0.000 0.820 61 S CB 2.436 65.624 63.200 -0.020 0.000 1.137 61 S HN 0.225 8.502 8.310 -0.055 0.000 0.470 62 N N 1.036 119.729 118.700 -0.012 0.000 2.210 62 N HA 0.163 nan 4.740 nan 0.000 0.203 62 N C -1.338 174.168 175.510 -0.007 0.000 1.175 62 N CA -0.465 52.579 53.050 -0.009 0.000 0.894 62 N CB 2.161 40.645 38.487 -0.005 0.000 1.041 62 N HN -0.035 8.568 8.380 -0.009 -0.228 0.506 63 D N 0.835 121.231 120.400 -0.006 0.000 2.458 63 D HA -0.061 nan 4.640 nan 0.000 0.243 63 D C 1.065 177.361 176.300 -0.006 0.000 1.146 63 D CA 1.102 55.099 54.000 -0.005 0.000 0.877 63 D CB 1.242 42.040 40.800 -0.003 0.000 1.176 63 D HN -0.424 7.893 8.370 -0.007 0.049 0.461 64 G N 4.285 113.082 108.800 -0.006 0.000 2.453 64 G HA2 -0.323 nan 3.960 nan 0.000 0.215 64 G HA3 -0.323 nan 3.960 nan 0.000 0.215 64 G C 0.498 175.394 174.900 -0.006 0.000 1.201 64 G CA 2.246 47.342 45.100 -0.006 0.000 0.784 64 G HN 0.230 8.517 8.290 -0.005 0.000 0.545 65 A N 1.080 123.898 122.820 -0.004 0.000 1.892 65 A HA -0.320 nan 4.320 nan 0.000 0.218 65 A C 2.148 179.730 177.584 -0.003 0.000 1.188 65 A CA 3.166 55.201 52.037 -0.003 0.000 0.631 65 A CB -0.894 18.104 19.000 -0.003 0.000 0.822 65 A HN -0.505 7.643 8.150 -0.004 0.000 0.447 66 T N 2.490 117.042 114.554 -0.003 0.000 2.595 66 T HA -0.377 nan 4.350 nan 0.000 0.264 66 T C 1.904 176.601 174.700 -0.005 0.000 1.058 66 T CA 5.222 67.320 62.100 -0.003 0.000 1.166 66 T CB -0.461 68.405 68.868 -0.004 0.000 0.863 66 T HN -0.398 8.163 8.240 -0.003 -0.323 0.415 67 I N -0.030 120.535 120.570 -0.008 0.000 2.381 67 I HA -0.498 nan 4.170 nan 0.000 0.255 67 I C 1.540 177.653 176.117 -0.006 0.000 1.140 67 I CA 3.479 64.773 61.300 -0.009 0.000 1.404 67 I CB -0.278 37.715 38.000 -0.011 0.000 1.075 67 I HN -0.377 7.828 8.210 -0.008 0.000 0.433 68 L N -2.817 118.404 121.223 -0.004 0.000 2.286 68 L HA -0.111 nan 4.340 nan 0.000 0.203 68 L C 1.074 177.944 176.870 0.000 0.000 1.068 68 L CA 1.769 56.608 54.840 -0.002 0.000 0.811 68 L CB 0.304 42.361 42.059 -0.003 0.000 0.989 68 L HN -0.699 7.392 8.230 -0.005 0.136 0.467 69 K N -1.991 118.409 120.400 -0.000 0.000 2.103 69 K HA -0.270 nan 4.320 nan 0.000 0.207 69 K C 2.090 178.691 176.600 0.003 0.000 1.048 69 K CA 2.718 59.006 56.287 0.002 0.000 0.930 69 K CB 0.004 32.505 32.500 0.001 0.000 0.716 69 K HN 0.118 8.258 8.250 -0.001 0.109 0.444 70 E N -3.817 116.383 120.200 0.001 0.000 2.299 70 E HA -0.114 nan 4.350 nan 0.000 0.193 70 E C 0.160 176.761 176.600 0.001 0.000 0.998 70 E CA 0.221 56.622 56.400 0.001 0.000 0.851 70 E CB 0.304 30.003 29.700 -0.001 0.000 0.795 70 E HN -0.384 7.968 8.360 -0.001 0.009 0.492 71 M N 1.020 120.620 119.600 0.001 0.000 2.248 71 M HA -0.051 nan 4.480 nan 0.000 0.337 71 M C -0.425 175.879 176.300 0.006 0.000 1.121 71 M CA 0.449 55.751 55.300 0.002 0.000 1.155 71 M CB 1.151 33.752 32.600 0.002 0.000 1.514 71 M HN -0.534 7.587 8.290 0.000 0.169 0.452 72 D N 5.642 126.046 120.400 0.008 0.000 2.524 72 D HA 0.081 nan 4.640 nan 0.000 0.222 72 D C -0.805 175.505 176.300 0.016 0.000 1.142 72 D CA -0.689 53.317 54.000 0.011 0.000 0.973 72 D CB -0.480 40.326 40.800 0.009 0.000 1.025 72 D HN 0.094 8.468 8.370 0.006 0.000 0.519 73 V N 3.837 123.762 119.914 0.019 0.000 2.583 73 V HA 0.037 nan 4.120 nan 0.000 0.287 73 V C -0.598 175.518 176.094 0.038 0.000 1.051 73 V CA -0.159 62.159 62.300 0.030 0.000 1.010 73 V CB 0.461 32.301 31.823 0.028 0.000 0.988 73 V HN -0.260 7.939 8.190 0.016 0.000 0.478 74 E N 4.502 124.734 120.200 0.053 0.000 2.279 74 E HA -0.055 nan 4.350 nan 0.000 0.199 74 E C -0.705 175.943 176.600 0.079 0.000 0.893 74 E CA 0.145 56.574 56.400 0.047 0.000 0.978 74 E CB 0.917 30.632 29.700 0.026 0.000 0.964 74 E HN 0.196 8.594 8.360 0.064 0.000 0.486 75 H N 2.678 121.749 119.070 0.002 0.000 3.070 75 H HA 0.068 nan 4.556 nan 0.000 0.313 75 H C -0.657 174.673 175.328 0.004 0.000 0.997 75 H CA -1.799 54.251 56.048 0.003 0.000 1.438 75 H CB 0.156 29.920 29.762 0.003 0.000 1.455 75 H HN -0.185 8.201 8.280 0.177 0.000 0.575 76 P HA -0.265 nan 4.420 nan 0.000 0.214 76 P C 1.252 178.634 177.300 0.137 0.000 1.169 76 P CA 3.152 66.370 63.100 0.197 0.000 0.908 76 P CB 0.166 31.968 31.700 0.170 0.000 0.791 77 T N -1.760 112.867 114.554 0.122 0.000 2.653 77 T HA -0.346 nan 4.350 nan 0.000 0.268 77 T C 1.650 176.295 174.700 -0.092 0.000 1.035 77 T CA 4.843 66.902 62.100 -0.068 0.000 1.154 77 T CB -0.693 68.020 68.868 -0.259 0.000 0.862 77 T HN -0.318 8.101 8.240 0.299 0.000 0.441 78 A N 0.571 123.319 122.820 -0.121 0.000 1.933 78 A HA -0.293 nan 4.320 nan 0.000 0.218 78 A C 1.841 179.420 177.584 -0.009 0.000 1.175 78 A CA 2.987 54.987 52.037 -0.062 0.000 0.628 78 A CB -0.878 18.106 19.000 -0.027 0.000 0.814 78 A HN -0.088 7.882 8.150 -0.160 0.083 0.444 79 K N -1.689 118.724 120.400 0.022 0.000 2.147 79 K HA -0.351 nan 4.320 nan 0.000 0.205 79 K C 2.606 179.213 176.600 0.012 0.000 1.049 79 K CA 3.158 59.459 56.287 0.023 0.000 0.936 79 K CB -0.277 32.245 32.500 0.036 0.000 0.722 79 K HN -0.238 7.950 8.250 0.049 0.091 0.446 80 M N -0.950 118.656 119.600 0.009 0.000 2.132 80 M HA -0.264 nan 4.480 nan 0.000 0.263 80 M C 2.389 178.689 176.300 0.000 0.000 1.065 80 M CA 2.144 57.447 55.300 0.006 0.000 1.122 80 M CB -0.861 31.743 32.600 0.007 0.000 1.365 80 M HN -0.311 7.878 8.290 0.011 0.107 0.411 81 I N -1.547 119.017 120.570 -0.010 0.000 2.361 81 I HA -0.338 nan 4.170 nan 0.000 0.251 81 I C 2.463 178.576 176.117 -0.007 0.000 1.133 81 I CA 2.456 63.749 61.300 -0.011 0.000 1.413 81 I CB -1.499 36.487 38.000 -0.023 0.000 1.073 81 I HN -0.423 7.776 8.210 -0.018 0.000 0.424 82 V N -0.558 119.353 119.914 -0.004 0.000 2.407 82 V HA -0.468 nan 4.120 nan 0.000 0.248 82 V C 2.193 178.286 176.094 -0.000 0.000 1.055 82 V CA 4.488 66.787 62.300 -0.002 0.000 1.049 82 V CB -1.028 30.796 31.823 0.002 0.000 0.662 82 V HN -0.173 7.927 8.190 -0.005 0.088 0.455 83 E N -0.289 119.912 120.200 0.002 0.000 2.085 83 E HA -0.408 nan 4.350 nan 0.000 0.194 83 E C 2.016 178.617 176.600 0.000 0.000 0.994 83 E CA 3.629 60.030 56.400 0.002 0.000 0.801 83 E CB -0.057 29.646 29.700 0.005 0.000 0.743 83 E HN -0.377 7.877 8.360 0.003 0.108 0.453 84 V N -3.096 116.819 119.914 0.002 0.000 2.626 84 V HA -0.227 nan 4.120 nan 0.000 0.252 84 V C 1.449 177.543 176.094 -0.000 0.000 1.067 84 V CA 3.142 65.443 62.300 0.003 0.000 1.081 84 V CB -0.950 30.877 31.823 0.007 0.000 0.686 84 V HN -0.542 7.641 8.190 0.002 0.009 0.468 85 S N 1.412 117.111 115.700 -0.002 0.000 2.355 85 S HA -0.313 nan 4.470 nan 0.000 0.222 85 S C 2.028 176.626 174.600 -0.004 0.000 1.031 85 S CA 4.057 62.255 58.200 -0.003 0.000 0.993 85 S CB -0.656 62.542 63.200 -0.004 0.000 0.859 85 S HN -0.434 7.757 8.310 -0.002 0.118 0.453 86 K N 1.917 122.314 120.400 -0.005 0.000 2.103 86 K HA -0.307 nan 4.320 nan 0.000 0.207 86 K C 2.248 178.840 176.600 -0.012 0.000 1.048 86 K CA 3.159 59.442 56.287 -0.007 0.000 0.930 86 K CB -0.204 32.293 32.500 -0.005 0.000 0.716 86 K HN -0.601 7.647 8.250 -0.003 0.000 0.444 87 A N -0.230 122.582 122.820 -0.014 0.000 1.840 87 A HA -0.224 nan 4.320 nan 0.000 0.214 87 A C 2.119 179.685 177.584 -0.031 0.000 1.198 87 A CA 3.135 55.156 52.037 -0.027 0.000 0.608 87 A CB -0.982 18.003 19.000 -0.026 0.000 0.839 87 A HN 0.096 8.237 8.150 -0.010 0.003 0.443 88 Q N -1.281 118.511 119.800 -0.014 0.000 2.156 88 Q HA -0.425 nan 4.340 nan 0.000 0.211 88 Q C 2.798 178.795 176.000 -0.005 0.000 0.995 88 Q CA 3.100 58.903 55.803 -0.001 0.000 0.877 88 Q CB -0.540 28.205 28.738 0.012 0.000 0.920 88 Q HN 0.213 8.368 8.270 -0.007 0.110 0.416 89 D N -0.771 119.625 120.400 -0.007 0.000 2.077 89 D HA -0.182 nan 4.640 nan 0.000 0.196 89 D C 2.603 178.895 176.300 -0.012 0.000 0.986 89 D CA 3.152 57.148 54.000 -0.007 0.000 0.829 89 D CB 0.182 40.979 40.800 -0.006 0.000 0.983 89 D HN 0.192 8.555 8.370 -0.007 0.003 0.453 90 T N -3.092 111.451 114.554 -0.019 0.000 2.995 90 T HA -0.084 nan 4.350 nan 0.000 0.269 90 T C 1.337 176.016 174.700 -0.034 0.000 1.091 90 T CA 2.480 64.567 62.100 -0.023 0.000 1.128 90 T CB -0.159 68.696 68.868 -0.022 0.000 0.891 90 T HN -0.316 7.913 8.240 -0.019 0.000 0.492 91 A N 0.483 123.272 122.820 -0.051 0.000 1.956 91 A HA 0.204 nan 4.320 nan 0.000 0.212 91 A C 0.176 177.725 177.584 -0.057 0.000 1.188 91 A CA 1.906 53.891 52.037 -0.087 0.000 0.675 91 A CB 1.349 20.249 19.000 -0.167 0.000 0.845 91 A HN 0.158 8.249 8.150 -0.047 0.030 0.455 92 V N -5.809 114.094 119.914 -0.018 0.000 3.411 92 V HA 0.231 nan 4.120 nan 0.000 0.287 92 V C 0.471 176.577 176.094 0.021 0.000 1.543 92 V CA -0.384 61.934 62.300 0.030 0.000 1.028 92 V CB 1.314 33.197 31.823 0.101 0.000 0.840 92 V HN -0.099 7.973 8.190 -0.020 0.106 0.435 93 G N 0.827 109.631 108.800 0.007 0.000 2.779 93 G HA2 -0.446 nan 3.960 nan 0.000 0.230 93 G HA3 -0.446 nan 3.960 nan 0.000 0.230 93 G C -1.432 173.470 174.900 0.004 0.000 1.243 93 G CA 1.211 46.313 45.100 0.003 0.000 0.769 93 G HN 0.221 8.400 8.290 -0.001 0.110 0.516 94 D N 1.383 121.788 120.400 0.008 0.000 2.442 94 D HA 0.181 nan 4.640 nan 0.000 0.254 94 D C -0.336 175.970 176.300 0.010 0.000 1.069 94 D CA -1.148 52.855 54.000 0.005 0.000 1.017 94 D CB 1.311 42.112 40.800 0.002 0.000 1.172 94 D HN -0.478 7.815 8.370 0.015 0.085 0.561 95 G N -0.402 108.402 108.800 0.006 0.000 2.176 95 G HA2 -0.295 nan 3.960 nan 0.000 0.253 95 G HA3 -0.295 nan 3.960 nan 0.000 0.253 95 G C 0.915 175.818 174.900 0.005 0.000 0.979 95 G CA 0.822 45.926 45.100 0.007 0.000 0.641 95 G HN 0.418 8.709 8.290 0.002 0.000 0.530 96 T N -1.972 112.583 114.554 0.002 0.000 2.720 96 T HA -0.354 nan 4.350 nan 0.000 0.268 96 T C 1.716 176.413 174.700 -0.005 0.000 1.037 96 T CA 3.187 65.286 62.100 -0.000 0.000 1.144 96 T CB -0.845 68.022 68.868 -0.002 0.000 0.864 96 T HN 0.384 8.580 8.240 0.002 0.046 0.444 97 T N 3.168 117.718 114.554 -0.007 0.000 2.674 97 T HA -0.283 nan 4.350 nan 0.000 0.265 97 T C 1.656 176.346 174.700 -0.015 0.000 1.039 97 T CA 4.472 66.565 62.100 -0.011 0.000 1.150 97 T CB -0.763 68.099 68.868 -0.010 0.000 0.864 97 T HN 0.309 8.546 8.240 -0.005 0.000 0.427 98 T N 3.899 118.444 114.554 -0.015 0.000 2.624 98 T HA -0.388 nan 4.350 nan 0.000 0.268 98 T C 1.486 176.170 174.700 -0.028 0.000 1.041 98 T CA 4.824 66.910 62.100 -0.022 0.000 1.159 98 T CB -0.632 68.225 68.868 -0.018 0.000 0.863 98 T HN -0.189 8.045 8.240 -0.011 0.000 0.434 99 A N -0.859 121.951 122.820 -0.016 0.000 1.972 99 A HA -0.187 nan 4.320 nan 0.000 0.219 99 A C 1.899 179.470 177.584 -0.021 0.000 1.169 99 A CA 3.169 55.197 52.037 -0.014 0.000 0.635 99 A CB -0.854 18.148 19.000 0.004 0.000 0.810 99 A HN 0.040 8.185 8.150 -0.008 0.000 0.446 100 V N 0.025 119.927 119.914 -0.019 0.000 2.255 100 V HA -0.361 nan 4.120 nan 0.000 0.243 100 V C 1.730 177.805 176.094 -0.031 0.000 1.038 100 V CA 4.269 66.556 62.300 -0.021 0.000 1.008 100 V CB -0.390 31.423 31.823 -0.017 0.000 0.645 100 V HN -0.562 7.520 8.190 -0.016 0.099 0.449 101 V N 0.243 120.136 119.914 -0.034 0.000 2.324 101 V HA -0.414 nan 4.120 nan 0.000 0.250 101 V C 1.981 178.038 176.094 -0.061 0.000 1.060 101 V CA 4.261 66.536 62.300 -0.042 0.000 1.042 101 V CB -1.176 30.624 31.823 -0.039 0.000 0.650 101 V HN -0.028 8.144 8.190 -0.029 0.000 0.450 102 L N -1.474 119.704 121.223 -0.074 0.000 2.046 102 L HA -0.335 nan 4.340 nan 0.000 0.208 102 L C 1.890 178.692 176.870 -0.114 0.000 1.077 102 L CA 2.853 57.622 54.840 -0.117 0.000 0.747 102 L CB -1.021 40.963 42.059 -0.125 0.000 0.896 102 L HN 0.374 8.563 8.230 -0.062 0.004 0.432 103 S N -0.692 114.966 115.700 -0.069 0.000 2.382 103 S HA -0.335 nan 4.470 nan 0.000 0.228 103 S C 2.619 177.197 174.600 -0.038 0.000 1.027 103 S CA 4.161 62.334 58.200 -0.044 0.000 0.991 103 S CB -0.516 62.673 63.200 -0.019 0.000 0.823 103 S HN -0.201 8.076 8.310 -0.054 0.000 0.469 104 G N 1.009 109.784 108.800 -0.042 0.000 2.418 104 G HA2 -0.291 nan 3.960 nan 0.000 0.217 104 G HA3 -0.291 nan 3.960 nan 0.000 0.217 104 G C 0.939 175.817 174.900 -0.037 0.000 1.158 104 G CA 2.148 47.227 45.100 -0.035 0.000 0.771 104 G HN 0.182 8.443 8.290 -0.044 0.003 0.545 105 E N 2.363 122.525 120.200 -0.062 0.000 2.107 105 E HA -0.146 nan 4.350 nan 0.000 0.191 105 E C 2.300 178.855 176.600 -0.076 0.000 0.982 105 E CA 1.971 58.328 56.400 -0.072 0.000 0.809 105 E CB -0.297 29.340 29.700 -0.105 0.000 0.756 105 E HN -0.391 7.851 8.360 -0.073 0.074 0.459 106 L N -0.855 120.302 121.223 -0.111 0.000 2.109 106 L HA -0.274 nan 4.340 nan 0.000 0.207 106 L C 2.347 179.284 176.870 0.113 0.000 1.086 106 L CA 3.107 57.884 54.840 -0.105 0.000 0.760 106 L CB -0.128 41.784 42.059 -0.245 0.000 0.910 106 L HN 0.215 8.368 8.230 -0.128 0.000 0.437 107 L N -1.723 119.545 121.223 0.075 0.000 2.056 107 L HA -0.432 nan 4.340 nan 0.000 0.207 107 L C 1.980 178.889 176.870 0.066 0.000 1.078 107 L CA 3.123 58.017 54.840 0.089 0.000 0.749 107 L CB -0.633 41.450 42.059 0.041 0.000 0.901 107 L HN -0.169 8.076 8.230 0.024 0.000 0.433 108 K N -0.752 119.669 120.400 0.034 0.000 2.002 108 K HA -0.395 nan 4.320 nan 0.000 0.209 108 K C 3.116 179.743 176.600 0.044 0.000 1.048 108 K CA 3.198 59.500 56.287 0.024 0.000 0.930 108 K CB -0.152 32.350 32.500 0.004 0.000 0.714 108 K HN -0.119 8.140 8.250 0.015 0.000 0.438 109 Q N -2.171 117.662 119.800 0.055 0.000 2.152 109 Q HA -0.281 nan 4.340 nan 0.000 0.206 109 Q C 2.628 178.701 176.000 0.122 0.000 0.985 109 Q CA 2.608 58.460 55.803 0.082 0.000 0.863 109 Q CB -0.478 28.312 28.738 0.086 0.000 0.904 109 Q HN 0.080 8.262 8.270 0.036 0.109 0.422 110 A N -0.810 122.109 122.820 0.165 0.000 1.933 110 A HA -0.250 nan 4.320 nan 0.000 0.218 110 A C 1.333 178.948 177.584 0.052 0.000 1.175 110 A CA 2.946 55.056 52.037 0.122 0.000 0.628 110 A CB -0.978 18.096 19.000 0.123 0.000 0.814 110 A HN -0.171 8.086 8.150 0.191 0.007 0.444 111 E N -2.547 117.680 120.200 0.045 0.000 2.273 111 E HA -0.357 nan 4.350 nan 0.000 0.198 111 E C 1.988 178.600 176.600 0.020 0.000 1.002 111 E CA 3.106 59.519 56.400 0.023 0.000 0.828 111 E CB -0.133 29.578 29.700 0.019 0.000 0.747 111 E HN -0.159 8.123 8.360 0.056 0.112 0.491 112 T N 1.925 116.497 114.554 0.030 0.000 2.814 112 T HA -0.121 nan 4.350 nan 0.000 0.254 112 T C 1.956 176.669 174.700 0.022 0.000 1.037 112 T CA 4.238 66.354 62.100 0.026 0.000 1.143 112 T CB -0.311 68.577 68.868 0.033 0.000 0.866 112 T HN -0.625 7.604 8.240 0.042 0.036 0.431 113 L N 0.796 122.035 121.223 0.028 0.000 2.127 113 L HA -0.437 nan 4.340 nan 0.000 0.211 113 L C 1.688 178.559 176.870 0.002 0.000 1.089 113 L CA 3.255 58.106 54.840 0.017 0.000 0.757 113 L CB -0.743 41.325 42.059 0.015 0.000 0.899 113 L HN -0.663 7.592 8.230 0.041 0.000 0.434 114 L N -1.747 119.473 121.223 -0.005 0.000 1.994 114 L HA -0.470 nan 4.340 nan 0.000 0.208 114 L C 2.705 179.570 176.870 -0.010 0.000 1.071 114 L CA 3.247 58.076 54.840 -0.019 0.000 0.745 114 L CB -0.650 41.394 42.059 -0.025 0.000 0.892 114 L HN 0.442 8.664 8.230 0.002 0.009 0.431 115 D N -0.249 120.150 120.400 -0.002 0.000 2.182 115 D HA -0.242 nan 4.640 nan 0.000 0.201 115 D C 2.107 178.410 176.300 0.004 0.000 0.986 115 D CA 2.726 56.727 54.000 0.001 0.000 0.847 115 D CB -0.521 40.282 40.800 0.005 0.000 0.942 115 D HN -0.578 7.793 8.370 0.002 0.000 0.467 116 Q N -3.293 116.511 119.800 0.007 0.000 2.369 116 Q HA -0.089 nan 4.340 nan 0.000 0.206 116 Q C 1.021 177.027 176.000 0.010 0.000 0.963 116 Q CA 0.840 56.649 55.803 0.009 0.000 0.894 116 Q CB 0.736 29.482 28.738 0.012 0.000 0.965 116 Q HN -0.248 8.008 8.270 0.008 0.018 0.475 117 G N -2.303 106.502 108.800 0.008 0.000 2.255 117 G HA2 -0.281 nan 3.960 nan 0.000 0.196 117 G HA3 -0.281 nan 3.960 nan 0.000 0.196 117 G C -0.147 174.768 174.900 0.024 0.000 0.998 117 G CA -0.392 44.716 45.100 0.014 0.000 0.656 117 G HN -0.357 7.762 8.290 0.004 0.173 0.490 118 V N 0.414 120.339 119.914 0.019 0.000 2.694 118 V HA -0.100 nan 4.120 nan 0.000 0.306 118 V C 0.666 176.786 176.094 0.044 0.000 1.054 118 V CA 0.373 62.691 62.300 0.030 0.000 1.161 118 V CB 0.200 32.028 31.823 0.009 0.000 0.916 118 V HN -0.439 7.758 8.190 0.011 0.000 0.490 119 H N 7.321 126.373 119.070 -0.031 0.000 2.646 119 H HA 0.190 nan 4.556 nan 0.000 0.325 119 H C -0.710 174.589 175.328 -0.048 0.000 1.075 119 H CA -1.610 54.419 56.048 -0.032 0.000 1.421 119 H CB 1.693 31.439 29.762 -0.026 0.000 1.461 119 H HN 0.192 8.563 8.280 0.151 0.000 0.525 120 P HA -0.372 nan 4.420 nan 0.000 0.220 120 P C 0.871 178.166 177.300 -0.007 0.000 1.155 120 P CA 3.227 66.249 63.100 -0.131 0.000 0.880 120 P CB 0.183 31.753 31.700 -0.216 0.000 0.790 121 T N -5.765 108.913 114.554 0.207 0.000 2.701 121 T HA -0.260 nan 4.350 nan 0.000 0.263 121 T C 1.931 176.662 174.700 0.052 0.000 1.040 121 T CA 3.910 66.102 62.100 0.154 0.000 1.147 121 T CB -0.592 68.390 68.868 0.190 0.000 0.865 121 T HN -0.336 8.170 8.240 0.474 0.018 0.426 122 V N 0.318 120.270 119.914 0.064 0.000 2.490 122 V HA -0.312 nan 4.120 nan 0.000 0.250 122 V C 1.341 177.397 176.094 -0.064 0.000 1.061 122 V CA 2.903 65.202 62.300 -0.003 0.000 1.064 122 V CB -1.378 30.448 31.823 0.004 0.000 0.670 122 V HN -0.332 7.952 8.190 0.157 0.000 0.461 123 I N 0.363 120.867 120.570 -0.111 0.000 2.202 123 I HA -0.542 nan 4.170 nan 0.000 0.242 123 I C 1.819 177.680 176.117 -0.427 0.000 1.091 123 I CA 4.412 65.534 61.300 -0.296 0.000 1.368 123 I CB -0.479 37.335 38.000 -0.311 0.000 1.058 123 I HN -0.252 7.910 8.210 -0.053 0.016 0.410 124 S N 0.199 115.758 115.700 -0.234 0.000 2.400 124 S HA -0.351 nan 4.470 nan 0.000 0.232 124 S C 2.504 177.077 174.600 -0.045 0.000 1.025 124 S CA 4.107 62.231 58.200 -0.126 0.000 0.993 124 S CB -0.690 62.493 63.200 -0.029 0.000 0.808 124 S HN 0.258 8.300 8.310 -0.150 0.178 0.478 125 N N 1.630 120.303 118.700 -0.045 0.000 2.300 125 N HA -0.115 nan 4.740 nan 0.000 0.179 125 N C 2.052 177.568 175.510 0.010 0.000 1.016 125 N CA 2.787 55.833 53.050 -0.006 0.000 0.876 125 N CB -0.123 38.359 38.487 -0.008 0.000 0.979 125 N HN 0.172 8.384 8.380 -0.060 0.132 0.432 126 G N 1.471 110.263 108.800 -0.014 0.000 2.414 126 G HA2 -0.261 nan 3.960 nan 0.000 0.215 126 G HA3 -0.261 nan 3.960 nan 0.000 0.215 126 G C 1.162 176.151 174.900 0.148 0.000 1.188 126 G CA 2.204 47.336 45.100 0.053 0.000 0.783 126 G HN 0.291 8.344 8.290 -0.074 0.192 0.537 127 Y N 1.516 121.814 120.300 -0.004 0.000 2.256 127 Y HA -0.260 nan 4.550 nan 0.000 0.288 127 Y C 2.495 178.299 175.900 -0.160 0.000 1.155 127 Y CA 0.908 58.977 58.100 -0.051 0.000 1.203 127 Y CB -1.004 37.533 38.460 0.129 0.000 0.980 127 Y HN 0.041 8.336 8.280 0.025 0.000 0.530 128 R N -0.524 120.029 120.500 0.089 0.000 2.075 128 R HA -0.293 nan 4.340 nan 0.000 0.230 128 R C 2.056 178.327 176.300 -0.047 0.000 1.140 128 R CA 2.487 58.598 56.100 0.018 0.000 0.928 128 R CB -0.712 29.605 30.300 0.029 0.000 0.834 128 R HN -0.637 7.602 8.270 0.111 0.098 0.429 129 L N -1.302 119.919 121.223 -0.004 0.000 1.976 129 L HA -0.548 nan 4.340 nan 0.000 0.223 129 L C 1.891 178.709 176.870 -0.086 0.000 1.081 129 L CA 3.264 58.125 54.840 0.035 0.000 0.784 129 L CB -0.740 41.408 42.059 0.149 0.000 0.896 129 L HN -0.119 8.126 8.230 0.025 0.000 0.438 130 A N -1.777 120.942 122.820 -0.168 0.000 1.859 130 A HA -0.425 nan 4.320 nan 0.000 0.218 130 A C 2.022 179.205 177.584 -0.669 0.000 1.209 130 A CA 3.338 55.089 52.037 -0.477 0.000 0.639 130 A CB -1.031 17.475 19.000 -0.824 0.000 0.835 130 A HN 0.353 8.351 8.150 -0.081 0.104 0.450 131 V N -1.038 118.410 119.914 -0.778 0.000 2.332 131 V HA -0.529 nan 4.120 nan 0.000 0.248 131 V C 1.832 177.802 176.094 -0.207 0.000 1.055 131 V CA 4.012 66.069 62.300 -0.406 0.000 1.038 131 V CB -0.484 31.252 31.823 -0.144 0.000 0.651 131 V HN 0.213 7.833 8.190 -0.765 0.111 0.450 132 N N -0.836 117.756 118.700 -0.180 0.000 2.166 132 N HA -0.362 nan 4.740 nan 0.000 0.186 132 N C 2.512 177.918 175.510 -0.175 0.000 1.019 132 N CA 3.750 56.723 53.050 -0.127 0.000 0.856 132 N CB -0.101 38.335 38.487 -0.085 0.000 0.993 132 N HN 0.401 8.563 8.380 -0.186 0.107 0.426 133 E N 1.121 121.151 120.200 -0.283 0.000 2.028 133 E HA -0.256 nan 4.350 nan 0.000 0.191 133 E C 1.665 178.102 176.600 -0.272 0.000 0.988 133 E CA 2.601 58.763 56.400 -0.398 0.000 0.799 133 E CB -0.296 28.894 29.700 -0.849 0.000 0.755 133 E HN 0.210 8.310 8.360 -0.303 0.079 0.447 134 A N -0.560 122.125 122.820 -0.226 0.000 1.940 134 A HA -0.295 nan 4.320 nan 0.000 0.219 134 A C 2.322 179.858 177.584 -0.080 0.000 1.176 134 A CA 3.035 55.010 52.037 -0.103 0.000 0.631 134 A CB -0.719 18.285 19.000 0.006 0.000 0.814 134 A HN 0.578 8.448 8.150 -0.283 0.111 0.446 135 R N -3.851 116.595 120.500 -0.091 0.000 2.293 135 R HA -0.258 nan 4.340 nan 0.000 0.219 135 R C 1.767 178.019 176.300 -0.080 0.000 1.091 135 R CA 2.630 58.684 56.100 -0.076 0.000 1.004 135 R CB -0.062 30.195 30.300 -0.072 0.000 0.865 135 R HN 0.104 8.112 8.270 -0.113 0.194 0.469 136 K N -1.768 118.576 120.400 -0.094 0.000 2.240 136 K HA 0.063 nan 4.320 nan 0.000 0.202 136 K C 1.322 177.877 176.600 -0.074 0.000 1.053 136 K CA 1.470 57.707 56.287 -0.083 0.000 0.973 136 K CB 0.518 32.962 32.500 -0.093 0.000 0.924 136 K HN -0.279 7.698 8.250 -0.116 0.203 0.477 137 I N 1.056 121.577 120.570 -0.082 0.000 2.151 137 I HA -0.564 nan 4.170 nan 0.000 0.243 137 I C 1.714 177.804 176.117 -0.045 0.000 1.080 137 I CA 4.395 65.660 61.300 -0.058 0.000 1.339 137 I CB -0.023 37.946 38.000 -0.051 0.000 1.039 137 I HN -0.279 7.867 8.210 -0.107 0.000 0.409 138 I N -2.784 117.757 120.570 -0.047 0.000 2.127 138 I HA -0.574 nan 4.170 nan 0.000 0.241 138 I C 0.774 176.851 176.117 -0.067 0.000 1.075 138 I CA 4.494 65.765 61.300 -0.048 0.000 1.334 138 I CB -0.429 37.544 38.000 -0.045 0.000 1.040 138 I HN 0.062 8.242 8.210 -0.050 0.000 0.405 139 D N -1.326 119.032 120.400 -0.070 0.000 2.311 139 D HA -0.326 nan 4.640 nan 0.000 0.212 139 D C 1.347 177.605 176.300 -0.070 0.000 0.972 139 D CA 3.020 56.974 54.000 -0.076 0.000 0.887 139 D CB -0.499 40.260 40.800 -0.069 0.000 0.915 139 D HN -0.064 8.265 8.370 -0.067 0.000 0.497 140 E N -1.898 118.266 120.200 -0.059 0.000 2.060 140 E HA -0.092 nan 4.350 nan 0.000 0.189 140 E C 1.879 178.451 176.600 -0.048 0.000 0.974 140 E CA 1.685 58.056 56.400 -0.048 0.000 0.808 140 E CB 0.953 30.631 29.700 -0.038 0.000 0.768 140 E HN -0.482 7.662 8.360 -0.057 0.181 0.453 141 I N -6.356 114.188 120.570 -0.044 0.000 3.684 141 I HA 0.136 nan 4.170 nan 0.000 0.304 141 I C -0.400 175.667 176.117 -0.083 0.000 1.278 141 I CA -0.316 60.965 61.300 -0.031 0.000 1.272 141 I CB -0.333 37.672 38.000 0.007 0.000 1.029 141 I HN -0.046 7.960 8.210 -0.043 0.178 0.458 142 A N -0.087 122.654 122.820 -0.133 0.000 2.445 142 A HA -0.037 nan 4.320 nan 0.000 0.242 142 A C -0.881 176.505 177.584 -0.330 0.000 1.075 142 A CA 0.038 51.932 52.037 -0.238 0.000 0.777 142 A CB 0.703 19.582 19.000 -0.202 0.000 1.013 142 A HN -0.447 7.565 8.150 -0.107 0.074 0.493 143 E N 2.611 122.434 120.200 -0.627 0.000 2.092 143 E HA 0.169 nan 4.350 nan 0.000 0.271 143 E C -1.240 174.811 176.600 -0.916 0.000 0.919 143 E CA -1.261 54.667 56.400 -0.787 0.000 0.760 143 E CB 2.390 31.439 29.700 -1.084 0.000 1.106 143 E HN 0.284 8.179 8.360 -0.776 0.000 0.408 144 K N 5.844 125.988 120.400 -0.426 0.000 2.258 144 K HA 0.225 nan 4.320 nan 0.000 0.264 144 K C -0.741 175.797 176.600 -0.104 0.000 1.007 144 K CA 0.143 56.291 56.287 -0.232 0.000 0.941 144 K CB 0.723 33.150 32.500 -0.121 0.000 0.966 144 K HN 0.297 8.364 8.250 -0.305 0.000 0.480 145 S N 1.490 117.212 115.700 0.037 0.000 2.862 145 S HA -0.042 nan 4.470 nan 0.000 0.291 145 S C -1.570 173.107 174.600 0.128 0.000 0.772 145 S CA 0.416 58.700 58.200 0.140 0.000 0.762 145 S CB 0.677 64.073 63.200 0.327 0.000 0.963 145 S HN 0.383 8.603 8.310 0.016 0.099 0.537 146 T N -0.360 114.236 114.554 0.070 0.000 3.058 146 T HA 0.232 nan 4.350 nan 0.000 0.278 146 T C -0.532 174.180 174.700 0.021 0.000 0.974 146 T CA -0.920 61.204 62.100 0.041 0.000 0.893 146 T CB 0.237 69.119 68.868 0.023 0.000 1.138 146 T HN 0.085 8.359 8.240 0.058 0.000 0.529 147 D N 2.421 122.837 120.400 0.026 0.000 2.423 147 D HA -0.071 nan 4.640 nan 0.000 0.238 147 D C 0.621 176.915 176.300 -0.010 0.000 1.142 147 D CA -0.894 53.112 54.000 0.010 0.000 0.884 147 D CB 0.544 41.355 40.800 0.018 0.000 1.199 147 D HN -0.823 7.575 8.370 0.046 0.000 0.438 148 D N 3.589 123.978 120.400 -0.018 0.000 2.203 148 D HA -0.297 nan 4.640 nan 0.000 0.199 148 D C 2.083 178.359 176.300 -0.040 0.000 0.997 148 D CA 3.782 57.762 54.000 -0.034 0.000 0.863 148 D CB -0.555 40.224 40.800 -0.035 0.000 0.928 148 D HN 0.468 8.831 8.370 -0.013 0.000 0.458 149 A N -2.326 120.478 122.820 -0.027 0.000 1.917 149 A HA -0.215 nan 4.320 nan 0.000 0.219 149 A C 2.277 179.828 177.584 -0.054 0.000 1.182 149 A CA 3.139 55.160 52.037 -0.028 0.000 0.633 149 A CB -0.787 18.209 19.000 -0.007 0.000 0.819 149 A HN 0.253 8.369 8.150 -0.016 0.024 0.448 150 T N -4.080 110.431 114.554 -0.072 0.000 3.031 150 T HA 0.009 nan 4.350 nan 0.000 0.254 150 T C 1.835 176.436 174.700 -0.165 0.000 1.060 150 T CA 2.319 64.323 62.100 -0.159 0.000 1.135 150 T CB 0.073 68.815 68.868 -0.211 0.000 0.896 150 T HN -0.401 7.937 8.240 -0.046 -0.126 0.472 151 L N 2.087 123.249 121.223 -0.102 0.000 2.079 151 L HA -0.469 nan 4.340 nan 0.000 0.210 151 L C 1.910 178.721 176.870 -0.098 0.000 1.081 151 L CA 3.658 58.444 54.840 -0.091 0.000 0.752 151 L CB -0.893 41.128 42.059 -0.063 0.000 0.896 151 L HN -0.037 8.090 8.230 -0.073 0.059 0.433 152 R N -1.669 118.778 120.500 -0.089 0.000 2.096 152 R HA -0.372 nan 4.340 nan 0.000 0.235 152 R C 1.892 178.140 176.300 -0.087 0.000 1.127 152 R CA 3.818 59.869 56.100 -0.082 0.000 0.968 152 R CB -0.221 30.040 30.300 -0.066 0.000 0.861 152 R HN 0.427 8.647 8.270 -0.081 0.002 0.440 153 K N -0.217 120.116 120.400 -0.111 0.000 2.057 153 K HA -0.282 nan 4.320 nan 0.000 0.206 153 K C 2.589 179.109 176.600 -0.133 0.000 1.050 153 K CA 3.296 59.510 56.287 -0.123 0.000 0.935 153 K CB -0.293 32.102 32.500 -0.175 0.000 0.715 153 K HN -0.717 7.329 8.250 -0.121 0.132 0.439 154 I N -1.019 119.452 120.570 -0.165 0.000 2.163 154 I HA -0.471 nan 4.170 nan 0.000 0.243 154 I C 1.967 178.032 176.117 -0.087 0.000 1.085 154 I CA 2.597 63.816 61.300 -0.136 0.000 1.347 154 I CB -1.290 36.636 38.000 -0.124 0.000 1.044 154 I HN 0.170 8.267 8.210 -0.188 0.000 0.408 155 A N 0.083 122.855 122.820 -0.081 0.000 1.841 155 A HA -0.332 nan 4.320 nan 0.000 0.216 155 A C 2.212 179.764 177.584 -0.053 0.000 1.199 155 A CA 3.280 55.277 52.037 -0.066 0.000 0.621 155 A CB -0.704 18.251 19.000 -0.075 0.000 0.835 155 A HN -0.396 7.702 8.150 -0.091 -0.002 0.445 156 L N -3.509 117.684 121.223 -0.051 0.000 2.064 156 L HA -0.437 nan 4.340 nan 0.000 0.216 156 L C 2.617 179.473 176.870 -0.025 0.000 1.077 156 L CA 2.662 57.482 54.840 -0.033 0.000 0.766 156 L CB -1.287 40.755 42.059 -0.028 0.000 0.890 156 L HN -0.089 8.105 8.230 -0.060 0.000 0.435 157 T N -2.805 111.730 114.554 -0.032 0.000 2.904 157 T HA -0.110 nan 4.350 nan 0.000 0.267 157 T C 2.177 176.866 174.700 -0.019 0.000 1.059 157 T CA 3.529 65.616 62.100 -0.022 0.000 1.137 157 T CB -0.225 68.627 68.868 -0.027 0.000 0.879 157 T HN -0.569 7.636 8.240 -0.046 0.007 0.467 158 A N 2.146 124.951 122.820 -0.026 0.000 2.119 158 A HA 0.003 nan 4.320 nan 0.000 0.217 158 A C 0.893 178.468 177.584 -0.015 0.000 1.153 158 A CA 2.347 54.372 52.037 -0.021 0.000 0.692 158 A CB -0.499 18.485 19.000 -0.026 0.000 0.799 158 A HN -0.243 7.783 8.150 -0.036 0.102 0.458 159 L N -4.755 116.460 121.223 -0.014 0.000 2.667 159 L HA 0.185 nan 4.340 nan 0.000 0.232 159 L C 1.162 178.031 176.870 -0.001 0.000 1.138 159 L CA -0.481 54.354 54.840 -0.007 0.000 0.921 159 L CB -0.456 41.598 42.059 -0.009 0.000 1.180 159 L HN -0.737 7.432 8.230 -0.018 0.050 0.487 160 S N 2.633 118.332 115.700 -0.002 0.000 2.436 160 S HA -0.273 nan 4.470 nan 0.000 0.215 160 S C 1.481 176.084 174.600 0.004 0.000 1.047 160 S CA 3.201 61.402 58.200 0.002 0.000 1.086 160 S CB -0.120 63.081 63.200 0.002 0.000 1.072 160 S HN -0.675 7.472 8.310 -0.005 0.160 0.411 161 G N -1.249 107.552 108.800 0.002 0.000 2.615 161 G HA2 -0.134 nan 3.960 nan 0.000 0.213 161 G HA3 -0.134 nan 3.960 nan 0.000 0.213 161 G C -0.684 174.218 174.900 0.003 0.000 1.135 161 G CA 0.119 45.221 45.100 0.002 0.000 0.772 161 G HN 0.273 8.563 8.290 0.001 0.000 0.542 162 K N -1.059 119.344 120.400 0.005 0.000 2.118 162 K HA 0.045 nan 4.320 nan 0.000 0.267 162 K C -0.745 175.862 176.600 0.012 0.000 0.991 162 K CA -2.313 53.978 56.287 0.007 0.000 0.916 162 K CB 0.700 33.205 32.500 0.007 0.000 1.041 162 K HN -0.988 7.156 8.250 0.005 0.110 0.455 163 N N 2.725 121.434 118.700 0.014 0.000 2.895 163 N HA 0.009 nan 4.740 nan 0.000 0.277 163 N C -0.123 175.404 175.510 0.027 0.000 1.185 163 N CA 0.241 53.302 53.050 0.019 0.000 1.106 163 N CB -0.720 37.778 38.487 0.018 0.000 1.422 163 N HN 0.517 8.904 8.380 0.012 0.000 0.521 164 T N -2.589 111.983 114.554 0.030 0.000 3.044 164 T HA 0.334 nan 4.350 nan 0.000 0.260 164 T C -0.158 174.571 174.700 0.048 0.000 1.019 164 T CA -1.183 60.942 62.100 0.040 0.000 0.921 164 T CB 1.115 70.006 68.868 0.038 0.000 1.053 164 T HN -0.432 7.787 8.240 0.026 0.037 0.533 165 G N 2.375 111.198 108.800 0.038 0.000 2.475 165 G HA2 -0.233 nan 3.960 nan 0.000 0.223 165 G HA3 -0.233 nan 3.960 nan 0.000 0.223 165 G C -1.123 173.799 174.900 0.036 0.000 1.201 165 G CA 0.260 45.382 45.100 0.037 0.000 0.962 165 G HN -0.343 7.966 8.290 0.031 0.000 0.586 166 L N 1.858 123.104 121.223 0.037 0.000 2.731 166 L HA 0.308 nan 4.340 nan 0.000 0.240 166 L C 1.721 178.624 176.870 0.055 0.000 1.120 166 L CA -0.357 54.504 54.840 0.035 0.000 0.913 166 L CB -0.227 41.845 42.059 0.022 0.000 1.213 166 L HN 0.277 8.529 8.230 0.037 0.000 0.515 167 S N 0.984 116.732 115.700 0.080 0.000 2.547 167 S HA -0.239 nan 4.470 nan 0.000 0.235 167 S C 1.275 175.979 174.600 0.174 0.000 0.980 167 S CA 2.244 60.534 58.200 0.151 0.000 0.941 167 S CB -0.196 63.134 63.200 0.216 0.000 0.763 167 S HN 0.156 8.457 8.310 0.073 0.053 0.532 168 N N 2.572 121.329 118.700 0.095 0.000 2.139 168 N HA -0.392 nan 4.740 nan 0.000 0.199 168 N C 1.690 177.227 175.510 0.044 0.000 1.003 168 N CA 3.413 56.496 53.050 0.055 0.000 0.892 168 N CB -0.649 37.856 38.487 0.030 0.000 1.039 168 N HN 0.337 8.698 8.380 0.075 0.064 0.461 169 D N -0.148 120.291 120.400 0.066 0.000 2.117 169 D HA -0.268 nan 4.640 nan 0.000 0.197 169 D C 2.083 178.427 176.300 0.073 0.000 0.987 169 D CA 3.681 57.712 54.000 0.051 0.000 0.829 169 D CB -0.207 40.626 40.800 0.055 0.000 0.961 169 D HN -0.300 8.103 8.370 0.074 0.012 0.460 170 F N 1.058 121.001 119.950 -0.012 0.000 2.102 170 F HA -0.277 nan 4.527 nan 0.000 0.298 170 F C 0.902 176.694 175.800 -0.014 0.000 1.105 170 F CA 3.124 61.118 58.000 -0.011 0.000 1.239 170 F CB 0.104 39.104 39.000 -0.000 0.000 0.991 170 F HN -0.166 8.203 8.300 0.264 0.090 0.474 171 L N -1.663 119.401 121.223 -0.266 0.000 2.046 171 L HA -0.548 nan 4.340 nan 0.000 0.208 171 L C 1.954 178.668 176.870 -0.260 0.000 1.077 171 L CA 3.001 57.630 54.840 -0.351 0.000 0.747 171 L CB -0.799 41.195 42.059 -0.109 0.000 0.896 171 L HN -0.061 8.202 8.230 0.056 0.000 0.432 172 A N -0.707 122.023 122.820 -0.150 0.000 1.873 172 A HA -0.509 nan 4.320 nan 0.000 0.218 172 A C 1.839 179.329 177.584 -0.158 0.000 1.193 172 A CA 3.536 55.501 52.037 -0.120 0.000 0.629 172 A CB -1.172 17.783 19.000 -0.075 0.000 0.826 172 A HN 0.741 8.717 8.150 -0.100 0.114 0.447 173 D N -0.938 119.357 120.400 -0.174 0.000 2.123 173 D HA -0.291 nan 4.640 nan 0.000 0.196 173 D C 2.552 178.686 176.300 -0.276 0.000 0.992 173 D CA 3.664 57.552 54.000 -0.186 0.000 0.833 173 D CB -0.285 40.438 40.800 -0.128 0.000 0.954 173 D HN -0.426 7.854 8.370 -0.148 0.000 0.455 174 L N -0.375 120.615 121.223 -0.388 0.000 2.012 174 L HA -0.406 nan 4.340 nan 0.000 0.210 174 L C 2.145 178.837 176.870 -0.297 0.000 1.073 174 L CA 3.283 57.881 54.840 -0.403 0.000 0.748 174 L CB -0.204 41.599 42.059 -0.427 0.000 0.891 174 L HN -0.151 7.721 8.230 -0.481 0.070 0.431 175 V N -0.328 119.456 119.914 -0.216 0.000 2.255 175 V HA -0.478 nan 4.120 nan 0.000 0.247 175 V C 2.067 178.080 176.094 -0.136 0.000 1.051 175 V CA 4.560 66.776 62.300 -0.141 0.000 1.018 175 V CB -1.051 30.707 31.823 -0.109 0.000 0.641 175 V HN -0.157 7.893 8.190 -0.233 0.000 0.445 176 V N -0.427 119.400 119.914 -0.144 0.000 2.282 176 V HA -0.572 nan 4.120 nan 0.000 0.249 176 V C 1.721 177.729 176.094 -0.144 0.000 1.057 176 V CA 4.761 66.988 62.300 -0.123 0.000 1.032 176 V CB -1.171 30.583 31.823 -0.116 0.000 0.645 176 V HN 0.097 8.195 8.190 -0.153 0.000 0.447 177 K N -0.642 119.622 120.400 -0.225 0.000 2.009 177 K HA -0.432 nan 4.320 nan 0.000 0.210 177 K C 1.844 178.284 176.600 -0.267 0.000 1.049 177 K CA 3.584 59.683 56.287 -0.313 0.000 0.929 177 K CB -0.162 32.007 32.500 -0.552 0.000 0.714 177 K HN -0.244 7.857 8.250 -0.249 0.000 0.440 178 A N -1.290 121.387 122.820 -0.239 0.000 1.877 178 A HA -0.252 nan 4.320 nan 0.000 0.216 178 A C 2.407 180.002 177.584 0.017 0.000 1.186 178 A CA 3.099 55.139 52.037 0.006 0.000 0.620 178 A CB -0.665 18.380 19.000 0.075 0.000 0.822 178 A HN 0.008 7.981 8.150 -0.295 0.000 0.443 179 V N -0.973 118.924 119.914 -0.028 0.000 2.255 179 V HA -0.579 nan 4.120 nan 0.000 0.247 179 V C 1.965 178.052 176.094 -0.011 0.000 1.051 179 V CA 4.894 67.185 62.300 -0.016 0.000 1.018 179 V CB -0.671 31.133 31.823 -0.031 0.000 0.641 179 V HN 0.311 8.465 8.190 -0.060 0.000 0.445 180 N N -1.373 117.309 118.700 -0.029 0.000 2.223 180 N HA -0.357 nan 4.740 nan 0.000 0.185 180 N C 1.274 176.788 175.510 0.005 0.000 1.016 180 N CA 2.918 55.956 53.050 -0.019 0.000 0.863 180 N CB 0.068 38.532 38.487 -0.038 0.000 0.983 180 N HN 0.024 8.371 8.380 -0.054 0.000 0.429 181 A N -3.378 119.458 122.820 0.026 0.000 2.066 181 A HA 0.011 nan 4.320 nan 0.000 0.218 181 A C 0.891 178.512 177.584 0.062 0.000 1.157 181 A CA 1.941 54.022 52.037 0.073 0.000 0.670 181 A CB 0.419 19.524 19.000 0.176 0.000 0.804 181 A HN -0.059 7.999 8.150 0.009 0.096 0.453 182 V N -9.788 110.154 119.914 0.046 0.000 3.605 182 V HA 0.322 nan 4.120 nan 0.000 0.284 182 V C -0.061 176.045 176.094 0.019 0.000 1.386 182 V CA -1.102 61.218 62.300 0.033 0.000 1.053 182 V CB 0.489 32.332 31.823 0.033 0.000 0.857 182 V HN -0.810 7.258 8.190 0.040 0.146 0.436 183 A N 1.343 124.172 122.820 0.014 0.000 2.491 183 A HA 0.036 nan 4.320 nan 0.000 0.261 183 A C -0.784 176.806 177.584 0.009 0.000 1.101 183 A CA 0.345 52.387 52.037 0.008 0.000 0.772 183 A CB -0.120 18.882 19.000 0.003 0.000 1.043 183 A HN -0.283 7.772 8.150 0.015 0.104 0.501 184 E N 3.378 123.582 120.200 0.007 0.000 2.249 184 E HA 0.392 nan 4.350 nan 0.000 0.263 184 E C -1.952 174.651 176.600 0.005 0.000 0.950 184 E CA -1.990 54.414 56.400 0.007 0.000 0.827 184 E CB 3.038 32.742 29.700 0.006 0.000 1.220 184 E HN 0.620 8.984 8.360 0.006 0.000 0.411 185 V N 0.588 120.505 119.914 0.005 0.000 2.604 185 V HA 0.568 nan 4.120 nan 0.000 0.305 185 V C -0.529 175.567 176.094 0.003 0.000 1.043 185 V CA -1.128 61.175 62.300 0.004 0.000 0.888 185 V CB 2.062 33.887 31.823 0.003 0.000 0.995 185 V HN 0.328 8.521 8.190 0.005 0.000 0.429 186 R N 4.615 125.116 120.500 0.003 0.000 2.618 186 R HA 0.387 nan 4.340 nan 0.000 0.108 186 R C -0.676 175.625 176.300 0.002 0.000 1.220 186 R CA -2.312 53.789 56.100 0.002 0.000 1.020 186 R CB 1.016 31.317 30.300 0.002 0.000 0.950 186 R HN 0.664 8.936 8.270 0.002 0.000 0.397 187 D N 1.698 122.098 120.400 0.001 0.000 2.540 187 D HA -0.158 nan 4.640 nan 0.000 0.237 187 D C 0.823 177.124 176.300 0.000 0.000 1.181 187 D CA 0.946 54.947 54.000 0.001 0.000 1.119 187 D CB -1.052 39.749 40.800 0.001 0.000 1.119 187 D HN -0.086 8.284 8.370 0.001 0.000 0.498 188 G N 4.691 113.491 108.800 0.001 0.000 2.435 188 G HA2 -0.497 nan 3.960 nan 0.000 0.245 188 G HA3 -0.497 nan 3.960 nan 0.000 0.245 188 G C -1.044 173.856 174.900 0.000 0.000 1.073 188 G CA 0.947 46.047 45.100 0.000 0.000 0.638 188 G HN 0.490 8.749 8.290 0.001 0.032 0.521 189 K N 1.913 122.313 120.400 0.000 0.000 2.095 189 K HA 0.298 nan 4.320 nan 0.000 0.252 189 K C -0.410 176.191 176.600 0.001 0.000 0.977 189 K CA -1.652 54.635 56.287 0.000 0.000 0.900 189 K CB 1.003 33.503 32.500 -0.000 0.000 1.060 189 K HN -0.613 7.541 8.250 0.000 0.096 0.449 190 T N 1.205 115.760 114.554 0.001 0.000 2.845 190 T HA 0.543 nan 4.350 nan 0.000 0.288 190 T C -0.365 174.337 174.700 0.003 0.000 0.980 190 T CA 0.419 62.520 62.100 0.002 0.000 1.071 190 T CB -0.016 68.853 68.868 0.002 0.000 0.941 190 T HN 0.141 8.382 8.240 0.001 0.000 0.487 191 I N 5.417 125.989 120.570 0.003 0.000 2.569 191 I HA 0.531 nan 4.170 nan 0.000 0.296 191 I C -1.603 174.517 176.117 0.004 0.000 1.028 191 I CA -1.268 60.034 61.300 0.004 0.000 1.082 191 I CB 3.958 41.960 38.000 0.004 0.000 1.264 191 I HN 0.980 9.077 8.210 0.003 0.116 0.429 192 V N -0.478 119.439 119.914 0.004 0.000 2.398 192 V HA 0.424 nan 4.120 nan 0.000 0.282 192 V C -1.547 174.549 176.094 0.004 0.000 1.014 192 V CA -2.485 59.818 62.300 0.004 0.000 0.838 192 V CB 0.262 32.086 31.823 0.002 0.000 1.018 192 V HN 0.619 9.153 8.190 0.004 -0.342 0.432 193 D N 6.260 126.662 120.400 0.004 0.000 2.374 193 D HA 0.187 nan 4.640 nan 0.000 0.240 193 D C 1.330 177.632 176.300 0.004 0.000 1.229 193 D CA -0.602 53.400 54.000 0.003 0.000 0.895 193 D CB 1.402 42.204 40.800 0.003 0.000 1.046 193 D HN 0.109 8.482 8.370 0.006 0.000 0.498 194 T N 2.463 117.018 114.554 0.002 0.000 2.946 194 T HA -0.189 nan 4.350 nan 0.000 0.271 194 T C 1.412 176.113 174.700 0.002 0.000 1.104 194 T CA 2.211 64.312 62.100 0.002 0.000 1.114 194 T CB -0.665 68.203 68.868 -0.000 0.000 0.867 194 T HN 0.225 8.466 8.240 0.001 0.000 0.513 195 A N 1.888 124.708 122.820 -0.000 0.000 2.067 195 A HA -0.198 nan 4.320 nan 0.000 0.219 195 A C 1.361 178.943 177.584 -0.003 0.000 1.158 195 A CA 2.522 54.558 52.037 -0.003 0.000 0.661 195 A CB -0.366 18.632 19.000 -0.003 0.000 0.801 195 A HN -0.326 8.002 8.150 -0.000 -0.179 0.452 196 N N -2.962 115.739 118.700 0.001 0.000 2.515 196 N HA -0.064 nan 4.740 nan 0.000 0.185 196 N C -1.130 174.383 175.510 0.005 0.000 1.109 196 N CA 2.101 55.151 53.050 0.001 0.000 0.903 196 N CB 0.620 39.111 38.487 0.006 0.000 0.969 196 N HN -0.311 7.929 8.380 0.003 0.142 0.450 197 I N -0.468 120.107 120.570 0.009 0.000 2.306 197 I HA 0.128 nan 4.170 nan 0.000 0.288 197 I C -1.800 174.318 176.117 0.003 0.000 1.036 197 I CA -0.642 60.669 61.300 0.018 0.000 1.221 197 I CB 0.384 38.401 38.000 0.027 0.000 1.385 197 I HN -0.566 7.467 8.210 0.006 0.180 0.472 198 K N 9.132 129.525 120.400 -0.012 0.000 2.262 198 K HA 0.260 nan 4.320 nan 0.000 0.282 198 K C -2.054 174.534 176.600 -0.021 0.000 1.066 198 K CA -0.887 55.385 56.287 -0.025 0.000 0.901 198 K CB 1.415 33.885 32.500 -0.050 0.000 1.089 198 K HN 0.851 8.986 8.250 -0.016 0.105 0.476 199 V N 6.843 126.750 119.914 -0.012 0.000 2.532 199 V HA 0.533 nan 4.120 nan 0.000 0.295 199 V C -0.849 175.239 176.094 -0.010 0.000 1.041 199 V CA -1.114 61.184 62.300 -0.003 0.000 0.926 199 V CB 1.527 33.353 31.823 0.005 0.000 0.992 199 V HN 0.351 8.535 8.190 -0.011 0.000 0.457 200 D N 4.717 125.113 120.400 -0.007 0.000 2.664 200 D HA 0.444 nan 4.640 nan 0.000 0.292 200 D C -2.418 173.890 176.300 0.013 0.000 1.214 200 D CA -2.031 51.965 54.000 -0.007 0.000 0.932 200 D CB 4.220 45.001 40.800 -0.031 0.000 1.420 200 D HN 0.644 9.015 8.370 0.002 0.000 0.471 201 K N -3.452 116.958 120.400 0.017 0.000 2.556 201 K HA 0.688 nan 4.320 nan 0.000 0.274 201 K C -2.056 174.563 176.600 0.032 0.000 0.966 201 K CA -1.140 55.166 56.287 0.031 0.000 0.865 201 K CB 3.624 36.143 32.500 0.031 0.000 1.444 201 K HN -0.049 8.208 8.250 0.011 0.000 0.433 202 K N 1.495 121.919 120.400 0.040 0.000 2.589 202 K HA 0.288 nan 4.320 nan 0.000 0.253 202 K C -0.122 176.499 176.600 0.035 0.000 0.974 202 K CA -0.780 55.530 56.287 0.038 0.000 0.835 202 K CB 2.076 34.606 32.500 0.051 0.000 1.272 202 K HN 0.752 8.937 8.250 0.047 0.092 0.444 203 N N 5.831 124.545 118.700 0.023 0.000 2.165 203 N HA -0.373 nan 4.740 nan 0.000 0.198 203 N C 0.543 176.065 175.510 0.019 0.000 0.999 203 N CA 2.596 55.655 53.050 0.015 0.000 0.893 203 N CB -0.043 38.445 38.487 0.002 0.000 1.025 203 N HN 0.493 8.884 8.380 0.018 0.000 0.456 204 G N -2.012 106.802 108.800 0.024 0.000 2.134 204 G HA2 -0.207 nan 3.960 nan 0.000 0.253 204 G HA3 -0.207 nan 3.960 nan 0.000 0.253 204 G C -0.062 174.852 174.900 0.023 0.000 0.960 204 G CA 0.216 45.329 45.100 0.022 0.000 0.922 204 G HN -0.283 7.982 8.290 0.027 0.040 0.394 205 G N 0.547 109.356 108.800 0.016 0.000 2.313 205 G HA2 -0.092 nan 3.960 nan 0.000 0.250 205 G HA3 -0.092 nan 3.960 nan 0.000 0.250 205 G C -0.868 174.039 174.900 0.013 0.000 1.281 205 G CA 0.543 45.651 45.100 0.015 0.000 0.917 205 G HN 0.118 8.414 8.290 0.011 0.000 0.501 206 S N 4.471 120.181 115.700 0.017 0.000 5.309 206 S HA -0.151 nan 4.470 nan 0.000 0.106 206 S C 0.311 174.921 174.600 0.016 0.000 1.057 206 S CA 0.731 58.936 58.200 0.008 0.000 1.384 206 S CB 0.567 63.769 63.200 0.003 0.000 1.547 206 S HN -0.445 7.778 8.310 0.024 0.101 0.431 207 V N 0.510 120.456 119.914 0.052 0.000 0.595 207 V HA -0.566 nan 4.120 nan 0.000 0.063 207 V C 0.520 176.692 176.094 0.131 0.000 2.679 207 V CA 2.813 65.172 62.300 0.098 0.000 3.697 207 V CB -1.371 30.501 31.823 0.081 0.000 1.169 207 V HN 0.613 8.803 8.190 0.058 0.035 1.121 208 N N -0.887 117.794 118.700 -0.031 0.000 2.405 208 N HA 0.028 nan 4.740 nan 0.000 0.175 208 N C 0.298 175.687 175.510 -0.201 0.000 1.051 208 N CA 1.831 54.681 53.050 -0.333 0.000 0.899 208 N CB 0.459 38.733 38.487 -0.356 0.000 1.000 208 N HN 0.189 8.413 8.380 -0.043 0.130 0.451 209 D N -1.288 119.099 120.400 -0.022 0.000 2.378 209 D HA 0.043 nan 4.640 nan 0.000 0.227 209 D C -1.090 175.297 176.300 0.146 0.000 1.012 209 D CA 0.762 54.786 54.000 0.040 0.000 0.905 209 D CB -0.202 40.618 40.800 0.034 0.000 0.895 209 D HN -0.497 7.865 8.370 -0.013 0.000 0.532 210 T N 1.371 116.075 114.554 0.251 0.000 2.758 210 T HA -0.131 nan 4.350 nan 0.000 0.281 210 T C -0.342 174.563 174.700 0.341 0.000 0.963 210 T CA 1.044 63.323 62.100 0.298 0.000 1.201 210 T CB -0.841 68.242 68.868 0.358 0.000 0.906 210 T HN -0.427 7.886 8.240 0.270 0.089 0.528 211 Q N 6.441 126.387 119.800 0.242 0.000 2.259 211 Q HA 0.170 nan 4.340 nan 0.000 0.246 211 Q C -1.089 175.059 176.000 0.247 0.000 0.920 211 Q CA -0.904 55.044 55.803 0.243 0.000 0.895 211 Q CB 2.210 31.073 28.738 0.209 0.000 1.220 211 Q HN -0.135 8.255 8.270 0.200 0.000 0.439 212 F N 3.707 123.723 119.950 0.109 0.000 2.308 212 F HA 0.358 nan 4.527 nan 0.000 0.370 212 F C -1.711 174.136 175.800 0.078 0.000 1.100 212 F CA -2.180 55.855 58.000 0.059 0.000 1.108 212 F CB 0.862 39.880 39.000 0.032 0.000 1.293 212 F HN 0.199 8.706 8.300 0.344 0.000 0.478 213 I N 8.755 129.072 120.570 -0.421 0.000 2.315 213 I HA 0.092 nan 4.170 nan 0.000 0.291 213 I C -0.197 175.536 176.117 -0.640 0.000 1.006 213 I CA -0.870 60.199 61.300 -0.384 0.000 1.265 213 I CB 1.222 39.170 38.000 -0.087 0.000 1.387 213 I HN 0.047 7.995 8.210 -0.259 0.106 0.475 214 S N 8.528 123.890 115.700 -0.563 0.000 4.085 214 S HA 0.009 nan 4.470 nan 0.000 0.189 214 S C -0.726 173.759 174.600 -0.192 0.000 1.392 214 S CA 0.425 58.387 58.200 -0.396 0.000 0.972 214 S CB -1.784 61.294 63.200 -0.204 0.000 1.482 214 S HN 0.789 8.846 8.310 -0.421 0.000 0.446 215 G N -0.782 107.903 108.800 -0.193 0.000 2.356 215 G HA2 0.332 nan 3.960 nan 0.000 0.281 215 G HA3 0.332 nan 3.960 nan 0.000 0.281 215 G C -3.130 171.686 174.900 -0.140 0.000 1.246 215 G CA 0.516 45.544 45.100 -0.121 0.000 0.889 215 G HN -0.157 7.925 8.290 -0.255 0.055 0.486 216 I N -0.502 119.989 120.570 -0.132 0.000 2.404 216 I HA 0.468 nan 4.170 nan 0.000 0.293 216 I C -1.581 174.392 176.117 -0.241 0.000 0.992 216 I CA -2.090 59.118 61.300 -0.153 0.000 1.149 216 I CB 2.337 40.276 38.000 -0.102 0.000 1.315 216 I HN 0.289 8.433 8.210 -0.109 0.000 0.446 217 V N 8.071 127.796 119.914 -0.315 0.000 2.472 217 V HA 0.709 nan 4.120 nan 0.000 0.290 217 V C -1.825 174.105 176.094 -0.272 0.000 1.037 217 V CA -2.252 59.753 62.300 -0.491 0.000 0.908 217 V CB 2.385 33.820 31.823 -0.647 0.000 0.985 217 V HN -0.116 7.923 8.190 -0.252 0.000 0.454 218 I N 8.264 128.702 120.570 -0.220 0.000 2.439 218 I HA 0.282 nan 4.170 nan 0.000 0.285 218 I C -1.857 174.228 176.117 -0.055 0.000 1.021 218 I CA -1.043 60.199 61.300 -0.096 0.000 1.091 218 I CB 3.065 41.042 38.000 -0.039 0.000 1.242 218 I HN 0.543 8.593 8.210 -0.268 0.000 0.439 219 D N 10.098 130.475 120.400 -0.037 0.000 2.541 219 D HA -0.106 nan 4.640 nan 0.000 0.231 219 D C -1.469 174.842 176.300 0.017 0.000 1.163 219 D CA 0.076 54.074 54.000 -0.004 0.000 1.077 219 D CB -0.944 39.853 40.800 -0.005 0.000 1.110 219 D HN 0.252 8.596 8.370 -0.044 0.000 0.499 220 K N 0.810 121.233 120.400 0.039 0.000 2.551 220 K HA 0.295 nan 4.320 nan 0.000 0.269 220 K C -2.637 174.008 176.600 0.076 0.000 0.949 220 K CA -2.309 54.007 56.287 0.049 0.000 0.849 220 K CB 4.399 36.929 32.500 0.049 0.000 1.411 220 K HN -0.060 8.192 8.250 0.051 0.029 0.432 221 E N -0.445 119.784 120.200 0.048 0.000 2.243 221 E HA 0.396 nan 4.350 nan 0.000 0.260 221 E C -0.020 176.563 176.600 -0.027 0.000 0.985 221 E CA -2.110 54.310 56.400 0.034 0.000 0.858 221 E CB 2.986 32.690 29.700 0.005 0.000 1.210 221 E HN 0.102 8.479 8.360 0.029 0.000 0.411 222 K N -0.598 119.717 120.400 -0.141 0.000 2.295 222 K HA -0.030 nan 4.320 nan 0.000 0.270 222 K C 0.871 177.360 176.600 -0.185 0.000 1.011 222 K CA 0.129 56.187 56.287 -0.383 0.000 0.953 222 K CB 0.320 32.330 32.500 -0.817 0.000 0.956 222 K HN 0.243 8.806 8.250 -0.094 -0.369 0.477 223 V N -6.399 113.433 119.914 -0.136 0.000 2.759 223 V HA -0.172 nan 4.120 nan 0.000 0.256 223 V C -0.500 175.595 176.094 0.000 0.000 1.080 223 V CA 1.506 63.778 62.300 -0.047 0.000 1.101 223 V CB -0.477 31.337 31.823 -0.014 0.000 0.698 223 V HN 0.422 8.400 8.190 -0.176 0.107 0.477 224 H N 1.051 120.044 119.070 -0.129 0.000 2.759 224 H HA 0.293 nan 4.556 nan 0.000 0.354 224 H C 0.546 175.817 175.328 -0.096 0.000 1.074 224 H CA -1.207 54.783 56.048 -0.097 0.000 1.226 224 H CB 2.835 32.546 29.762 -0.085 0.000 1.648 224 H HN -0.787 7.428 8.280 -0.032 0.046 0.529 225 S N 7.276 122.690 115.700 -0.477 0.000 2.368 225 S HA -0.459 nan 4.470 nan 0.000 0.226 225 S C 1.503 176.077 174.600 -0.044 0.000 1.044 225 S CA 3.542 61.592 58.200 -0.251 0.000 1.062 225 S CB -0.405 62.620 63.200 -0.291 0.000 0.931 225 S HN 0.697 8.580 8.310 -0.711 0.000 0.440 226 K N -0.518 119.951 120.400 0.114 0.000 2.585 226 K HA -0.209 nan 4.320 nan 0.000 0.194 226 K C 0.466 177.154 176.600 0.148 0.000 1.037 226 K CA 0.789 57.198 56.287 0.203 0.000 0.964 226 K CB -0.391 32.283 32.500 0.291 0.000 0.787 226 K HN -0.132 8.024 8.250 -0.157 0.000 0.488 227 M N 1.180 120.870 119.600 0.151 0.000 2.243 227 M HA 0.010 nan 4.480 nan 0.000 0.341 227 M C -2.455 173.879 176.300 0.058 0.000 1.130 227 M CA -1.112 54.214 55.300 0.044 0.000 1.162 227 M CB -0.244 32.316 32.600 -0.068 0.000 1.497 227 M HN -0.428 7.799 8.290 0.194 0.179 0.456 228 P HA -0.115 nan 4.420 nan 0.000 0.261 228 P C -1.085 176.347 177.300 0.220 0.000 1.173 228 P CA 0.485 63.672 63.100 0.144 0.000 0.760 228 P CB 0.241 32.033 31.700 0.154 0.000 0.783 229 D N 2.350 122.838 120.400 0.146 0.000 2.264 229 D HA -0.153 nan 4.640 nan 0.000 0.208 229 D C -0.412 175.991 176.300 0.172 0.000 0.966 229 D CA 1.667 55.759 54.000 0.154 0.000 0.864 229 D CB 0.689 41.536 40.800 0.078 0.000 0.933 229 D HN 0.235 8.665 8.370 0.100 0.000 0.499 230 V N -5.307 114.681 119.914 0.123 0.000 3.077 230 V HA 0.430 nan 4.120 nan 0.000 0.299 230 V C -2.007 174.096 176.094 0.014 0.000 1.276 230 V CA -1.292 61.028 62.300 0.033 0.000 0.993 230 V CB 3.580 35.405 31.823 0.003 0.000 1.076 230 V HN -0.842 7.379 8.190 0.121 0.041 0.434 231 V N 7.383 127.263 119.914 -0.057 0.000 2.447 231 V HA 0.380 nan 4.120 nan 0.000 0.292 231 V C -1.293 174.771 176.094 -0.051 0.000 1.021 231 V CA -0.897 61.376 62.300 -0.045 0.000 0.850 231 V CB 2.571 34.348 31.823 -0.076 0.000 1.005 231 V HN 0.987 9.002 8.190 -0.112 0.108 0.426 232 K N 5.449 125.833 120.400 -0.025 0.000 2.118 232 K HA 0.337 nan 4.320 nan 0.000 0.264 232 K C 0.030 176.619 176.600 -0.019 0.000 1.000 232 K CA -1.506 54.767 56.287 -0.023 0.000 0.929 232 K CB 0.779 33.271 32.500 -0.014 0.000 1.021 232 K HN 0.324 8.566 8.250 -0.013 0.000 0.463 233 N N -1.935 116.754 118.700 -0.018 0.000 2.678 233 N HA -0.419 nan 4.740 nan 0.000 0.268 233 N C -1.099 174.402 175.510 -0.015 0.000 1.010 233 N CA 0.997 54.038 53.050 -0.014 0.000 0.784 233 N CB -1.731 36.751 38.487 -0.008 0.000 0.905 233 N HN 0.457 8.765 8.380 -0.019 0.061 0.552 234 A N -1.272 121.534 122.820 -0.023 0.000 2.363 234 A HA 0.137 nan 4.320 nan 0.000 0.270 234 A C -1.103 176.472 177.584 -0.015 0.000 1.121 234 A CA -0.461 51.562 52.037 -0.023 0.000 0.800 234 A CB 1.441 20.413 19.000 -0.047 0.000 1.052 234 A HN 0.195 8.328 8.150 -0.029 0.000 0.493 235 K N 4.169 124.566 120.400 -0.005 0.000 2.299 235 K HA 0.411 nan 4.320 nan 0.000 0.268 235 K C -1.228 175.375 176.600 0.004 0.000 1.075 235 K CA -1.262 55.025 56.287 -0.000 0.000 0.936 235 K CB 0.526 33.028 32.500 0.004 0.000 1.228 235 K HN 0.444 9.035 8.250 -0.001 -0.342 0.454 236 I N 5.307 125.878 120.570 0.001 0.000 2.312 236 I HA 0.296 nan 4.170 nan 0.000 0.291 236 I C -1.435 174.689 176.117 0.013 0.000 1.031 236 I CA -0.699 60.605 61.300 0.006 0.000 1.293 236 I CB 0.396 38.393 38.000 -0.005 0.000 1.403 236 I HN 0.776 8.877 8.210 -0.003 0.107 0.484 237 A N 9.093 131.926 122.820 0.023 0.000 2.249 237 A HA 0.668 nan 4.320 nan 0.000 0.314 237 A C -2.018 175.582 177.584 0.026 0.000 1.290 237 A CA -1.713 50.337 52.037 0.022 0.000 0.893 237 A CB 1.309 20.324 19.000 0.025 0.000 1.165 237 A HN 0.947 9.116 8.150 0.031 0.000 0.530 238 L N 4.487 125.722 121.223 0.020 0.000 2.276 238 L HA 0.616 nan 4.340 nan 0.000 0.286 238 L C -1.146 175.736 176.870 0.021 0.000 1.061 238 L CA -0.779 54.073 54.840 0.021 0.000 0.807 238 L CB 0.639 42.706 42.059 0.013 0.000 1.177 238 L HN 0.503 8.742 8.230 0.015 0.000 0.429 239 I N 3.045 123.630 120.570 0.025 0.000 2.418 239 I HA 0.151 nan 4.170 nan 0.000 0.287 239 I C -0.783 175.348 176.117 0.024 0.000 1.008 239 I CA -0.611 60.704 61.300 0.025 0.000 1.104 239 I CB 2.386 40.404 38.000 0.031 0.000 1.264 239 I HN 0.695 8.922 8.210 0.029 0.000 0.438 240 D N 8.730 129.141 120.400 0.019 0.000 2.144 240 D HA -0.121 nan 4.640 nan 0.000 0.200 240 D C -0.414 175.898 176.300 0.020 0.000 0.978 240 D CA 2.385 56.395 54.000 0.017 0.000 0.833 240 D CB 0.542 41.350 40.800 0.013 0.000 0.961 240 D HN 0.576 8.850 8.370 0.018 0.107 0.470 241 S N -1.622 114.091 115.700 0.022 0.000 2.681 241 S HA -0.005 nan 4.470 nan 0.000 0.270 241 S C -1.763 172.858 174.600 0.036 0.000 1.209 241 S CA -0.895 57.321 58.200 0.026 0.000 0.988 241 S CB 2.581 65.795 63.200 0.022 0.000 1.006 241 S HN -0.643 7.680 8.310 0.022 0.000 0.558 242 A N -0.141 122.704 122.820 0.042 0.000 2.292 242 A HA 0.240 nan 4.320 nan 0.000 0.319 242 A C -0.149 177.482 177.584 0.079 0.000 1.206 242 A CA -1.202 50.870 52.037 0.057 0.000 0.835 242 A CB 1.212 20.246 19.000 0.056 0.000 1.164 242 A HN 0.104 8.277 8.150 0.037 0.000 0.505 243 L N 5.094 126.378 121.223 0.102 0.000 2.388 243 L HA -0.016 nan 4.340 nan 0.000 0.252 243 L C -1.192 175.837 176.870 0.264 0.000 1.357 243 L CA -0.032 54.901 54.840 0.155 0.000 1.214 243 L CB -2.834 39.317 42.059 0.155 0.000 1.392 243 L HN 0.169 8.452 8.230 0.088 0.000 0.432 244 E N -0.104 120.231 120.200 0.225 0.000 2.446 244 E HA 0.176 nan 4.350 nan 0.000 0.276 244 E C -1.498 175.180 176.600 0.131 0.000 0.969 244 E CA -2.026 54.564 56.400 0.318 0.000 0.800 244 E CB 3.957 33.774 29.700 0.195 0.000 1.341 244 E HN -0.206 8.198 8.360 0.131 0.034 0.460 245 I N 1.834 122.484 120.570 0.135 0.000 2.581 245 I HA -0.133 nan 4.170 nan 0.000 0.285 245 I C 0.014 176.133 176.117 0.004 0.000 1.129 245 I CA -0.004 61.271 61.300 -0.042 0.000 1.397 245 I CB -0.702 37.316 38.000 0.030 0.000 1.399 245 I HN 0.248 8.672 8.210 0.358 0.000 0.537 246 K N 7.992 128.373 120.400 -0.032 0.000 2.098 246 K HA 0.180 nan 4.320 nan 0.000 0.258 246 K C -0.913 175.683 176.600 -0.006 0.000 0.973 246 K CA -0.498 55.783 56.287 -0.009 0.000 0.898 246 K CB 1.279 33.770 32.500 -0.015 0.000 1.057 246 K HN 0.055 8.259 8.250 -0.076 0.000 0.447 247 K N 2.076 122.478 120.400 0.005 0.000 2.259 247 K HA 0.173 nan 4.320 nan 0.000 0.252 247 K C -0.475 176.128 176.600 0.005 0.000 0.936 247 K CA -0.839 55.452 56.287 0.007 0.000 0.810 247 K CB 1.961 34.469 32.500 0.013 0.000 1.143 247 K HN 0.085 8.340 8.250 0.008 0.000 0.427 248 T N -0.524 114.034 114.554 0.006 0.000 2.928 248 T HA 0.035 nan 4.350 nan 0.000 0.305 248 T C 0.836 175.539 174.700 0.005 0.000 1.035 248 T CA -0.059 62.043 62.100 0.004 0.000 1.145 248 T CB 0.663 69.535 68.868 0.006 0.000 0.963 248 T HN 0.248 8.493 8.240 0.008 0.000 0.545 249 E N 1.997 122.200 120.200 0.004 0.000 2.171 249 E HA -0.235 nan 4.350 nan 0.000 0.197 249 E C 0.431 177.033 176.600 0.004 0.000 0.997 249 E CA 1.693 58.095 56.400 0.004 0.000 0.810 249 E CB 0.121 29.823 29.700 0.003 0.000 0.738 249 E HN 0.352 8.713 8.360 0.003 0.000 0.467 250 I N 0.482 121.054 120.570 0.004 0.000 2.312 250 I HA -0.057 nan 4.170 nan 0.000 0.291 250 I C -0.525 175.595 176.117 0.004 0.000 1.031 250 I CA -0.787 60.515 61.300 0.004 0.000 1.293 250 I CB 0.257 38.260 38.000 0.004 0.000 1.403 250 I HN -0.631 7.549 8.210 0.004 0.032 0.484 251 E N 8.062 128.264 120.200 0.003 0.000 2.829 251 E HA -0.235 nan 4.350 nan 0.000 0.264 251 E C -1.375 175.227 176.600 0.003 0.000 0.922 251 E CA 0.740 57.142 56.400 0.002 0.000 0.960 251 E CB 0.553 30.253 29.700 0.001 0.000 0.918 251 E HN 0.258 8.620 8.360 0.003 0.000 0.497 252 A N 5.426 128.248 122.820 0.003 0.000 2.380 252 A HA 0.326 nan 4.320 nan 0.000 0.315 252 A C -1.938 175.643 177.584 -0.006 0.000 1.101 252 A CA -0.753 51.286 52.037 0.004 0.000 0.771 252 A CB 2.206 21.214 19.000 0.012 0.000 1.287 252 A HN 0.094 8.246 8.150 0.003 0.000 0.436 253 K N 0.084 120.477 120.400 -0.012 0.000 2.502 253 K HA 0.242 nan 4.320 nan 0.000 0.257 253 K C -1.102 175.467 176.600 -0.051 0.000 0.938 253 K CA -0.408 55.859 56.287 -0.033 0.000 0.819 253 K CB 2.828 35.310 32.500 -0.031 0.000 1.333 253 K HN 0.078 8.325 8.250 -0.005 0.000 0.434 254 V N 3.887 123.736 119.914 -0.109 0.000 2.384 254 V HA 0.167 nan 4.120 nan 0.000 0.287 254 V C -0.823 175.143 176.094 -0.214 0.000 1.020 254 V CA -0.751 61.424 62.300 -0.207 0.000 0.850 254 V CB 1.146 32.723 31.823 -0.409 0.000 0.987 254 V HN 0.162 8.285 8.190 -0.111 0.000 0.436 255 Q N 4.961 124.665 119.800 -0.160 0.000 2.372 255 Q HA 0.262 nan 4.340 nan 0.000 0.259 255 Q C -0.781 175.147 176.000 -0.120 0.000 0.993 255 Q CA -0.918 54.817 55.803 -0.113 0.000 0.854 255 Q CB 0.293 29.001 28.738 -0.050 0.000 1.231 255 Q HN 0.319 8.517 8.270 -0.120 0.000 0.462 256 I N 3.875 124.363 120.570 -0.137 0.000 2.315 256 I HA 0.112 nan 4.170 nan 0.000 0.291 256 I C -0.121 175.978 176.117 -0.030 0.000 1.006 256 I CA 0.094 61.343 61.300 -0.086 0.000 1.265 256 I CB 0.485 38.416 38.000 -0.115 0.000 1.387 256 I HN 0.450 8.575 8.210 -0.141 0.000 0.475 257 S N 5.822 121.524 115.700 0.004 0.000 2.524 257 S HA 0.046 nan 4.470 nan 0.000 0.222 257 S C -0.992 173.618 174.600 0.017 0.000 1.040 257 S CA 0.656 58.860 58.200 0.007 0.000 0.915 257 S CB 0.917 64.125 63.200 0.013 0.000 0.831 257 S HN 0.500 8.825 8.310 0.025 0.000 0.492 258 D N 1.823 122.241 120.400 0.031 0.000 2.375 258 D HA 0.413 nan 4.640 nan 0.000 0.247 258 D C -1.192 175.131 176.300 0.039 0.000 1.061 258 D CA -2.859 51.162 54.000 0.035 0.000 0.834 258 D CB 1.858 42.685 40.800 0.044 0.000 1.247 258 D HN -0.774 7.621 8.370 0.042 0.000 0.489 259 P HA -0.193 nan 4.420 nan 0.000 0.216 259 P C 1.157 178.484 177.300 0.044 0.000 1.150 259 P CA 1.689 64.806 63.100 0.030 0.000 0.843 259 P CB 0.562 32.275 31.700 0.021 0.000 0.787 260 S N -2.272 113.455 115.700 0.045 0.000 2.365 260 S HA -0.335 nan 4.470 nan 0.000 0.225 260 S C 1.955 176.601 174.600 0.077 0.000 1.039 260 S CA 3.326 61.556 58.200 0.050 0.000 1.033 260 S CB -0.287 62.937 63.200 0.039 0.000 0.887 260 S HN -0.113 8.478 8.310 0.038 -0.258 0.447 261 K N 0.149 120.615 120.400 0.110 0.000 2.152 261 K HA -0.271 nan 4.320 nan 0.000 0.206 261 K C 2.209 178.975 176.600 0.277 0.000 1.048 261 K CA 2.170 58.580 56.287 0.205 0.000 0.933 261 K CB -0.649 32.025 32.500 0.289 0.000 0.721 261 K HN -0.717 7.590 8.250 0.095 0.000 0.447 262 I N -1.629 119.040 120.570 0.165 0.000 2.300 262 I HA -0.539 nan 4.170 nan 0.000 0.252 262 I C 2.242 178.448 176.117 0.150 0.000 1.119 262 I CA 3.298 64.678 61.300 0.134 0.000 1.384 262 I CB -0.563 37.475 38.000 0.062 0.000 1.062 262 I HN -0.360 7.790 8.210 0.113 0.127 0.426 263 Q N -0.454 119.416 119.800 0.117 0.000 2.089 263 Q HA -0.240 nan 4.340 nan 0.000 0.195 263 Q C 1.855 177.909 176.000 0.089 0.000 0.963 263 Q CA 2.831 58.688 55.803 0.089 0.000 0.834 263 Q CB -0.285 28.488 28.738 0.057 0.000 0.906 263 Q HN -0.382 7.929 8.270 0.104 0.021 0.452 264 D N 1.488 121.931 120.400 0.073 0.000 2.133 264 D HA -0.355 nan 4.640 nan 0.000 0.195 264 D C 2.531 178.792 176.300 -0.065 0.000 0.997 264 D CA 4.204 58.191 54.000 -0.021 0.000 0.840 264 D CB -0.372 40.381 40.800 -0.079 0.000 0.947 264 D HN -0.764 7.596 8.370 0.088 0.063 0.452 265 F N -1.311 118.646 119.950 0.012 0.000 2.186 265 F HA -0.313 nan 4.527 nan 0.000 0.299 265 F C 1.963 177.776 175.800 0.021 0.000 1.090 265 F CA 4.292 62.299 58.000 0.012 0.000 1.307 265 F CB 0.083 39.089 39.000 0.010 0.000 1.019 265 F HN 0.153 8.642 8.300 0.323 0.004 0.489 266 L N -2.022 119.318 121.223 0.194 0.000 2.201 266 L HA -0.370 nan 4.340 nan 0.000 0.212 266 L C 1.349 178.280 176.870 0.102 0.000 1.105 266 L CA 2.692 57.614 54.840 0.135 0.000 0.775 266 L CB -0.723 41.400 42.059 0.108 0.000 0.913 266 L HN -0.655 7.608 8.230 0.206 0.091 0.440 267 N N -0.650 118.090 118.700 0.065 0.000 2.250 267 N HA -0.277 nan 4.740 nan 0.000 0.181 267 N C 1.880 177.401 175.510 0.019 0.000 1.017 267 N CA 2.878 55.953 53.050 0.042 0.000 0.866 267 N CB 0.001 38.496 38.487 0.013 0.000 0.985 267 N HN -0.108 8.171 8.380 0.060 0.137 0.429 268 Q N 0.859 120.644 119.800 -0.025 0.000 2.096 268 Q HA -0.413 nan 4.340 nan 0.000 0.208 268 Q C 1.729 177.714 176.000 -0.026 0.000 0.993 268 Q CA 3.628 59.395 55.803 -0.059 0.000 0.862 268 Q CB -0.337 28.333 28.738 -0.113 0.000 0.915 268 Q HN 0.015 8.259 8.270 -0.044 0.000 0.416 269 E N -1.325 118.894 120.200 0.031 0.000 2.049 269 E HA -0.431 nan 4.350 nan 0.000 0.198 269 E C 2.321 179.002 176.600 0.135 0.000 1.007 269 E CA 3.164 59.597 56.400 0.056 0.000 0.809 269 E CB -0.342 29.458 29.700 0.168 0.000 0.749 269 E HN -0.578 7.828 8.360 0.057 -0.011 0.450 270 T N 2.144 116.826 114.554 0.213 0.000 2.652 270 T HA -0.292 nan 4.350 nan 0.000 0.267 270 T C 2.188 176.985 174.700 0.162 0.000 1.039 270 T CA 4.794 67.073 62.100 0.299 0.000 1.153 270 T CB -0.589 68.410 68.868 0.218 0.000 0.863 270 T HN -0.657 7.616 8.240 0.164 0.065 0.428 271 N N 0.576 119.297 118.700 0.036 0.000 2.364 271 N HA -0.203 nan 4.740 nan 0.000 0.183 271 N C 2.312 177.774 175.510 -0.080 0.000 1.022 271 N CA 2.876 55.898 53.050 -0.046 0.000 0.883 271 N CB -0.713 37.742 38.487 -0.053 0.000 0.965 271 N HN 0.273 8.676 8.380 0.039 0.000 0.438 272 T N 3.953 118.439 114.554 -0.114 0.000 2.701 272 T HA -0.210 nan 4.350 nan 0.000 0.263 272 T C 1.674 176.237 174.700 -0.228 0.000 1.040 272 T CA 5.156 67.119 62.100 -0.228 0.000 1.147 272 T CB -0.363 68.272 68.868 -0.388 0.000 0.865 272 T HN 0.186 8.241 8.240 -0.087 0.133 0.426 273 F N 0.410 120.365 119.950 0.009 0.000 2.171 273 F HA -0.364 nan 4.527 nan 0.000 0.300 273 F C 1.590 177.362 175.800 -0.046 0.000 1.090 273 F CA 3.568 61.591 58.000 0.038 0.000 1.293 273 F CB -0.697 38.392 39.000 0.148 0.000 1.013 273 F HN -0.481 7.691 8.300 -0.213 0.000 0.486 274 K N -1.140 119.237 120.400 -0.038 0.000 2.032 274 K HA -0.452 nan 4.320 nan 0.000 0.209 274 K C 2.515 179.030 176.600 -0.142 0.000 1.048 274 K CA 3.762 59.860 56.287 -0.315 0.000 0.927 274 K CB -0.468 31.774 32.500 -0.429 0.000 0.712 274 K HN 0.155 8.411 8.250 0.009 0.000 0.441 275 Q N -1.071 118.670 119.800 -0.098 0.000 2.084 275 Q HA -0.329 nan 4.340 nan 0.000 0.202 275 Q C 2.547 178.525 176.000 -0.037 0.000 0.978 275 Q CA 3.059 58.820 55.803 -0.070 0.000 0.844 275 Q CB -0.024 28.671 28.738 -0.072 0.000 0.898 275 Q HN -0.461 7.747 8.270 -0.103 0.000 0.426 276 M N -0.265 119.325 119.600 -0.017 0.000 2.082 276 M HA -0.484 nan 4.480 nan 0.000 0.258 276 M C 2.232 178.550 176.300 0.031 0.000 1.069 276 M CA 4.447 59.756 55.300 0.016 0.000 1.102 276 M CB -0.268 32.370 32.600 0.063 0.000 1.336 276 M HN -0.298 7.975 8.290 -0.029 0.000 0.404 277 V N -0.970 118.971 119.914 0.046 0.000 2.343 277 V HA -0.500 nan 4.120 nan 0.000 0.247 277 V C 1.716 177.815 176.094 0.007 0.000 1.051 277 V CA 4.607 66.932 62.300 0.041 0.000 1.036 277 V CB -1.277 30.583 31.823 0.061 0.000 0.654 277 V HN -0.230 7.997 8.190 0.062 0.000 0.451 278 E N -0.590 119.598 120.200 -0.020 0.000 2.058 278 E HA -0.448 nan 4.350 nan 0.000 0.194 278 E C 2.099 178.691 176.600 -0.013 0.000 0.997 278 E CA 3.724 60.108 56.400 -0.026 0.000 0.801 278 E CB -0.169 29.504 29.700 -0.044 0.000 0.746 278 E HN 0.199 8.356 8.360 -0.035 0.182 0.450 279 K N -1.921 118.472 120.400 -0.011 0.000 2.044 279 K HA -0.314 nan 4.320 nan 0.000 0.210 279 K C 2.673 179.274 176.600 0.002 0.000 1.049 279 K CA 2.648 58.932 56.287 -0.006 0.000 0.927 279 K CB -0.552 31.945 32.500 -0.005 0.000 0.713 279 K HN 0.183 8.318 8.250 -0.015 0.106 0.443 280 I N -0.288 120.288 120.570 0.010 0.000 2.127 280 I HA -0.556 nan 4.170 nan 0.000 0.241 280 I C 1.985 178.110 176.117 0.013 0.000 1.075 280 I CA 4.152 65.462 61.300 0.017 0.000 1.334 280 I CB -0.412 37.605 38.000 0.028 0.000 1.040 280 I HN -0.232 7.985 8.210 0.012 0.000 0.405 281 K N -0.065 120.340 120.400 0.010 0.000 2.032 281 K HA -0.390 nan 4.320 nan 0.000 0.209 281 K C 2.757 179.359 176.600 0.003 0.000 1.048 281 K CA 3.679 59.970 56.287 0.007 0.000 0.927 281 K CB -0.179 32.322 32.500 0.003 0.000 0.712 281 K HN 0.172 8.428 8.250 0.009 0.000 0.441 282 K N -0.756 119.644 120.400 -0.001 0.000 2.113 282 K HA -0.320 nan 4.320 nan 0.000 0.208 282 K C 2.156 178.756 176.600 0.000 0.000 1.047 282 K CA 2.796 59.081 56.287 -0.003 0.000 0.928 282 K CB -0.188 32.308 32.500 -0.006 0.000 0.716 282 K HN 0.200 8.448 8.250 -0.003 0.000 0.446 283 S N -3.131 112.571 115.700 0.003 0.000 2.447 283 S HA -0.193 nan 4.470 nan 0.000 0.233 283 S C 1.228 175.831 174.600 0.005 0.000 1.006 283 S CA 2.084 60.287 58.200 0.004 0.000 0.957 283 S CB 1.115 64.318 63.200 0.006 0.000 0.773 283 S HN -0.458 7.841 8.310 0.004 0.013 0.507 284 G N 0.473 109.276 108.800 0.006 0.000 2.238 284 G HA2 -0.357 nan 3.960 nan 0.000 0.217 284 G HA3 -0.357 nan 3.960 nan 0.000 0.217 284 G C -0.981 173.925 174.900 0.010 0.000 0.996 284 G CA -0.156 44.947 45.100 0.007 0.000 0.632 284 G HN -0.243 7.896 8.290 0.007 0.155 0.503 285 A N 1.375 124.203 122.820 0.013 0.000 2.540 285 A HA -0.090 nan 4.320 nan 0.000 0.239 285 A C -0.388 177.211 177.584 0.026 0.000 1.061 285 A CA 0.735 52.783 52.037 0.019 0.000 0.758 285 A CB 0.295 19.309 19.000 0.023 0.000 0.991 285 A HN -0.447 7.633 8.150 0.012 0.078 0.502 286 N N 1.358 120.077 118.700 0.031 0.000 2.143 286 N HA 0.052 nan 4.740 nan 0.000 0.222 286 N C -1.346 174.208 175.510 0.073 0.000 1.264 286 N CA -0.442 52.633 53.050 0.043 0.000 0.897 286 N CB 2.050 40.556 38.487 0.032 0.000 1.092 286 N HN 0.184 8.580 8.380 0.026 0.000 0.516 287 V N 0.642 120.597 119.914 0.068 0.000 2.577 287 V HA 0.570 nan 4.120 nan 0.000 0.303 287 V C -2.291 173.860 176.094 0.094 0.000 1.042 287 V CA -0.237 62.126 62.300 0.105 0.000 0.872 287 V CB 2.925 34.770 31.823 0.037 0.000 0.998 287 V HN -0.662 7.556 8.190 0.047 0.000 0.423 288 V N 7.678 127.667 119.914 0.125 0.000 2.376 288 V HA 0.708 nan 4.120 nan 0.000 0.287 288 V C -1.717 174.436 176.094 0.098 0.000 1.015 288 V CA -1.291 61.062 62.300 0.088 0.000 0.834 288 V CB 1.592 33.457 31.823 0.071 0.000 1.001 288 V HN 1.034 9.217 8.190 0.179 0.114 0.428 289 L N 7.372 128.640 121.223 0.076 0.000 2.277 289 L HA 0.576 nan 4.340 nan 0.000 0.284 289 L C -1.911 174.989 176.870 0.050 0.000 1.028 289 L CA -1.312 53.570 54.840 0.070 0.000 0.835 289 L CB 0.680 42.773 42.059 0.058 0.000 1.215 289 L HN 0.494 8.760 8.230 0.060 0.000 0.425 290 C N 6.729 126.058 119.300 0.048 0.000 2.265 290 C HA 0.361 nan 4.460 nan 0.000 0.332 290 C C 0.731 175.741 174.990 0.033 0.000 1.248 290 C CA -1.634 57.408 59.018 0.040 0.000 1.727 290 C CB 0.576 28.342 27.740 0.043 0.000 2.348 290 C HN 1.070 9.332 8.230 0.054 0.000 0.519 291 Q N 8.955 128.771 119.800 0.028 0.000 2.291 291 Q HA -0.293 nan 4.340 nan 0.000 0.206 291 Q C -0.790 175.223 176.000 0.023 0.000 0.976 291 Q CA 2.538 58.354 55.803 0.022 0.000 0.875 291 Q CB 0.297 29.046 28.738 0.018 0.000 0.927 291 Q HN 0.593 8.880 8.270 0.027 0.000 0.450 292 K N -3.887 116.530 120.400 0.028 0.000 2.270 292 K HA 0.208 nan 4.320 nan 0.000 0.248 292 K C -0.325 176.295 176.600 0.033 0.000 1.076 292 K CA -2.152 54.152 56.287 0.029 0.000 0.957 292 K CB 2.679 35.197 32.500 0.031 0.000 1.400 292 K HN -0.860 7.372 8.250 0.030 0.036 0.573 293 G N -2.082 106.739 108.800 0.037 0.000 2.616 293 G HA2 0.252 nan 3.960 nan 0.000 0.268 293 G HA3 0.252 nan 3.960 nan 0.000 0.268 293 G C -1.953 172.977 174.900 0.050 0.000 1.213 293 G CA -0.688 44.435 45.100 0.038 0.000 0.926 293 G HN 0.183 8.495 8.290 0.037 0.000 0.523 294 I N -2.199 118.397 120.570 0.043 0.000 2.571 294 I HA 0.139 nan 4.170 nan 0.000 0.289 294 I C -1.968 174.161 176.117 0.019 0.000 1.115 294 I CA -1.321 60.008 61.300 0.048 0.000 1.045 294 I CB 3.665 41.685 38.000 0.034 0.000 1.238 294 I HN 0.004 8.232 8.210 0.030 0.000 0.424 295 D N 6.110 126.517 120.400 0.012 0.000 2.372 295 D HA -0.073 nan 4.640 nan 0.000 0.243 295 D C 0.612 176.792 176.300 -0.200 0.000 1.121 295 D CA 0.448 54.376 54.000 -0.120 0.000 0.898 295 D CB 2.438 43.075 40.800 -0.273 0.000 1.202 295 D HN -0.015 8.407 8.370 0.088 0.000 0.428 296 D N 4.235 124.522 120.400 -0.189 0.000 2.221 296 D HA -0.253 nan 4.640 nan 0.000 0.204 296 D C 1.806 177.982 176.300 -0.206 0.000 0.982 296 D CA 3.377 57.289 54.000 -0.146 0.000 0.857 296 D CB -0.092 40.640 40.800 -0.113 0.000 0.934 296 D HN 0.374 8.647 8.370 -0.161 0.000 0.475 297 V N -1.284 118.393 119.914 -0.395 0.000 2.649 297 V HA -0.199 nan 4.120 nan 0.000 0.248 297 V C 1.466 177.460 176.094 -0.166 0.000 1.054 297 V CA 3.642 65.736 62.300 -0.345 0.000 1.073 297 V CB -0.776 30.768 31.823 -0.465 0.000 0.699 297 V HN 0.066 8.239 8.190 -0.551 -0.314 0.463 298 A N -0.464 122.184 122.820 -0.286 0.000 1.877 298 A HA -0.381 nan 4.320 nan 0.000 0.216 298 A C 1.944 179.546 177.584 0.031 0.000 1.186 298 A CA 3.337 55.416 52.037 0.069 0.000 0.620 298 A CB -0.777 18.302 19.000 0.132 0.000 0.822 298 A HN -0.421 7.280 8.150 -0.592 0.093 0.443 299 Q N -1.780 117.988 119.800 -0.054 0.000 2.077 299 Q HA -0.459 nan 4.340 nan 0.000 0.206 299 Q C 2.188 178.052 176.000 -0.228 0.000 0.989 299 Q CA 3.570 59.322 55.803 -0.084 0.000 0.853 299 Q CB -0.058 28.672 28.738 -0.013 0.000 0.907 299 Q HN 0.397 8.507 8.270 -0.086 0.108 0.418 300 H N 1.218 120.088 119.070 -0.333 0.000 2.289 300 H HA -0.357 nan 4.556 nan 0.000 0.296 300 H C 2.334 177.382 175.328 -0.467 0.000 1.091 300 H CA 3.867 59.610 56.048 -0.508 0.000 1.274 300 H CB -0.042 29.302 29.762 -0.695 0.000 1.364 300 H HN -0.387 7.650 8.280 -0.105 0.180 0.490 301 Y N -2.506 117.634 120.300 -0.267 0.000 2.337 301 Y HA -0.191 nan 4.550 nan 0.000 0.293 301 Y C 2.546 178.323 175.900 -0.204 0.000 1.123 301 Y CA 3.338 61.270 58.100 -0.281 0.000 1.201 301 Y CB -0.328 38.074 38.460 -0.097 0.000 1.011 301 Y HN -0.530 7.653 8.280 -0.161 0.000 0.545 302 L N -0.481 120.731 121.223 -0.019 0.000 2.046 302 L HA -0.515 nan 4.340 nan 0.000 0.208 302 L C 2.003 178.808 176.870 -0.109 0.000 1.077 302 L CA 3.174 57.992 54.840 -0.036 0.000 0.747 302 L CB -0.684 41.360 42.059 -0.025 0.000 0.896 302 L HN 0.485 8.715 8.230 -0.001 0.000 0.432 303 A N -1.673 120.996 122.820 -0.251 0.000 1.898 303 A HA -0.263 nan 4.320 nan 0.000 0.216 303 A C 2.165 179.619 177.584 -0.216 0.000 1.181 303 A CA 3.016 54.874 52.037 -0.299 0.000 0.620 303 A CB -0.928 17.646 19.000 -0.709 0.000 0.819 303 A HN 0.255 8.213 8.150 -0.323 -0.002 0.442 304 K N -1.912 118.320 120.400 -0.279 0.000 2.147 304 K HA -0.287 nan 4.320 nan 0.000 0.205 304 K C 1.923 178.474 176.600 -0.081 0.000 1.049 304 K CA 2.562 58.731 56.287 -0.196 0.000 0.936 304 K CB 0.052 32.393 32.500 -0.265 0.000 0.722 304 K HN -0.253 7.691 8.250 -0.396 0.068 0.446 305 E N -5.117 115.049 120.200 -0.057 0.000 2.358 305 E HA -0.035 nan 4.350 nan 0.000 0.195 305 E C 0.002 176.595 176.600 -0.012 0.000 1.010 305 E CA -0.400 55.988 56.400 -0.019 0.000 0.856 305 E CB 0.682 30.380 29.700 -0.003 0.000 0.795 305 E HN -0.116 7.997 8.360 -0.071 0.204 0.504 306 G N -2.171 106.616 108.800 -0.023 0.000 2.149 306 G HA2 -0.378 nan 3.960 nan 0.000 0.235 306 G HA3 -0.378 nan 3.960 nan 0.000 0.235 306 G C -0.270 174.650 174.900 0.033 0.000 1.018 306 G CA 0.323 45.425 45.100 0.004 0.000 0.728 306 G HN -0.625 7.439 8.290 -0.053 0.193 0.508 307 I N -0.058 120.528 120.570 0.027 0.000 2.365 307 I HA -0.042 nan 4.170 nan 0.000 0.291 307 I C -1.060 175.115 176.117 0.097 0.000 1.004 307 I CA -0.415 60.924 61.300 0.065 0.000 1.311 307 I CB 0.845 38.873 38.000 0.047 0.000 1.401 307 I HN -0.216 7.992 8.210 -0.002 0.000 0.491 308 Y N 9.027 129.335 120.300 0.014 0.000 2.486 308 Y HA -0.038 nan 4.550 nan 0.000 0.348 308 Y C -2.252 173.663 175.900 0.025 0.000 1.000 308 Y CA -0.896 57.218 58.100 0.024 0.000 1.253 308 Y CB 0.511 38.987 38.460 0.026 0.000 1.140 308 Y HN 0.443 8.868 8.280 0.241 0.000 0.526 309 A N 6.980 129.775 122.820 -0.041 0.000 2.337 309 A HA 0.892 nan 4.320 nan 0.000 0.331 309 A C -2.223 175.334 177.584 -0.045 0.000 1.137 309 A CA -2.071 49.979 52.037 0.020 0.000 0.807 309 A CB 3.445 22.450 19.000 0.008 0.000 1.250 309 A HN -0.134 7.903 8.150 -0.188 0.000 0.468 310 V N 0.428 120.369 119.914 0.044 0.000 2.668 310 V HA 0.450 nan 4.120 nan 0.000 0.304 310 V C -1.970 174.147 176.094 0.038 0.000 1.071 310 V CA -0.540 61.784 62.300 0.040 0.000 0.894 310 V CB 2.628 34.521 31.823 0.116 0.000 1.008 310 V HN 0.500 8.736 8.190 0.078 0.000 0.425 311 R N 3.828 124.342 120.500 0.022 0.000 2.691 311 R HA 0.739 nan 4.340 nan 0.000 0.259 311 R C 0.331 176.645 176.300 0.024 0.000 1.048 311 R CA -1.861 54.254 56.100 0.025 0.000 1.086 311 R CB 2.060 32.371 30.300 0.019 0.000 1.166 311 R HN 0.532 8.809 8.270 0.012 0.000 0.526 312 R N -4.066 116.448 120.500 0.023 0.000 3.405 312 R HA -0.500 nan 4.340 nan 0.000 0.258 312 R C -0.713 175.598 176.300 0.018 0.000 1.030 312 R CA 0.977 57.089 56.100 0.020 0.000 0.691 312 R CB -2.682 27.627 30.300 0.016 0.000 1.093 312 R HN 0.532 8.709 8.270 0.026 0.109 0.448 313 V N -1.215 118.712 119.914 0.022 0.000 2.572 313 V HA -0.131 nan 4.120 nan 0.000 0.291 313 V C 0.097 176.199 176.094 0.012 0.000 1.039 313 V CA 0.353 62.664 62.300 0.019 0.000 1.055 313 V CB 0.304 32.141 31.823 0.023 0.000 0.969 313 V HN -0.143 7.942 8.190 0.025 0.119 0.482 314 K N 6.373 126.777 120.400 0.007 0.000 2.472 314 K HA -0.158 nan 4.320 nan 0.000 0.280 314 K C 0.948 177.550 176.600 0.003 0.000 1.028 314 K CA 0.641 56.931 56.287 0.004 0.000 1.045 314 K CB 0.143 32.642 32.500 -0.000 0.000 0.902 314 K HN 0.189 8.443 8.250 0.006 0.000 0.478 315 K N 6.505 126.907 120.400 0.004 0.000 2.074 315 K HA -0.367 nan 4.320 nan 0.000 0.209 315 K C 1.995 178.594 176.600 -0.000 0.000 1.048 315 K CA 3.127 59.416 56.287 0.003 0.000 0.926 315 K CB -0.914 31.588 32.500 0.004 0.000 0.713 315 K HN 0.670 8.923 8.250 0.005 0.000 0.444 316 S N -1.860 113.839 115.700 -0.002 0.000 2.365 316 S HA -0.347 nan 4.470 nan 0.000 0.225 316 S C 2.374 176.969 174.600 -0.009 0.000 1.039 316 S CA 3.906 62.102 58.200 -0.005 0.000 1.033 316 S CB -0.923 62.273 63.200 -0.006 0.000 0.887 316 S HN 0.266 8.570 8.310 -0.001 0.006 0.447 317 D N 2.512 122.906 120.400 -0.010 0.000 2.097 317 D HA -0.132 nan 4.640 nan 0.000 0.197 317 D C 2.287 178.581 176.300 -0.010 0.000 0.984 317 D CA 2.739 56.730 54.000 -0.015 0.000 0.826 317 D CB -0.473 40.317 40.800 -0.016 0.000 0.973 317 D HN -0.439 7.838 8.370 -0.007 0.088 0.460 318 M N -0.755 118.843 119.600 -0.003 0.000 2.143 318 M HA -0.447 nan 4.480 nan 0.000 0.258 318 M C 2.609 178.908 176.300 -0.002 0.000 1.071 318 M CA 3.005 58.305 55.300 0.001 0.000 1.088 318 M CB -0.939 31.665 32.600 0.005 0.000 1.360 318 M HN 0.374 8.495 8.290 -0.001 0.168 0.404 319 E N -0.855 119.343 120.200 -0.004 0.000 2.028 319 E HA -0.338 nan 4.350 nan 0.000 0.190 319 E C 2.279 178.874 176.600 -0.008 0.000 0.984 319 E CA 3.048 59.445 56.400 -0.005 0.000 0.800 319 E CB -0.324 29.373 29.700 -0.004 0.000 0.758 319 E HN 0.070 8.420 8.360 -0.004 0.007 0.448 320 K N 0.128 120.520 120.400 -0.012 0.000 2.032 320 K HA -0.315 nan 4.320 nan 0.000 0.209 320 K C 2.659 179.247 176.600 -0.019 0.000 1.048 320 K CA 3.303 59.580 56.287 -0.017 0.000 0.927 320 K CB -0.102 32.383 32.500 -0.024 0.000 0.712 320 K HN -0.516 7.671 8.250 -0.012 0.056 0.441 321 L N -1.709 119.502 121.223 -0.020 0.000 2.042 321 L HA -0.441 nan 4.340 nan 0.000 0.210 321 L C 1.885 178.747 176.870 -0.014 0.000 1.076 321 L CA 3.258 58.086 54.840 -0.020 0.000 0.749 321 L CB -0.532 41.518 42.059 -0.016 0.000 0.893 321 L HN 0.463 8.575 8.230 -0.019 0.106 0.432 322 A N -1.418 121.396 122.820 -0.008 0.000 1.883 322 A HA -0.418 nan 4.320 nan 0.000 0.217 322 A C 1.812 179.391 177.584 -0.007 0.000 1.186 322 A CA 3.216 55.250 52.037 -0.005 0.000 0.624 322 A CB -0.964 18.035 19.000 -0.003 0.000 0.822 322 A HN -0.167 7.978 8.150 -0.008 0.000 0.444 323 K N -1.877 118.518 120.400 -0.008 0.000 2.057 323 K HA -0.294 nan 4.320 nan 0.000 0.206 323 K C 1.422 178.016 176.600 -0.010 0.000 1.050 323 K CA 2.593 58.876 56.287 -0.008 0.000 0.935 323 K CB -0.090 32.405 32.500 -0.007 0.000 0.715 323 K HN -0.260 7.917 8.250 -0.009 0.068 0.439 324 A N -3.340 119.471 122.820 -0.014 0.000 1.898 324 A HA -0.021 nan 4.320 nan 0.000 0.216 324 A C 1.634 179.208 177.584 -0.016 0.000 1.181 324 A CA 2.617 54.643 52.037 -0.018 0.000 0.620 324 A CB 0.798 19.782 19.000 -0.028 0.000 0.819 324 A HN 0.192 8.226 8.150 -0.016 0.106 0.442 325 T N -7.578 106.967 114.554 -0.016 0.000 3.060 325 T HA 0.139 nan 4.350 nan 0.000 0.249 325 T C 1.449 176.144 174.700 -0.009 0.000 1.079 325 T CA 0.408 62.499 62.100 -0.014 0.000 1.013 325 T CB 0.536 69.394 68.868 -0.016 0.000 0.975 325 T HN 0.115 8.345 8.240 -0.016 0.000 0.518 326 G N 1.730 110.526 108.800 -0.007 0.000 2.148 326 G HA2 -0.497 nan 3.960 nan 0.000 0.254 326 G HA3 -0.497 nan 3.960 nan 0.000 0.254 326 G C -1.557 173.342 174.900 -0.003 0.000 0.981 326 G CA 0.484 45.582 45.100 -0.004 0.000 0.670 326 G HN -0.100 8.143 8.290 -0.008 0.043 0.528 327 A N -0.612 122.206 122.820 -0.003 0.000 2.332 327 A HA 0.219 nan 4.320 nan 0.000 0.258 327 A C -0.841 176.743 177.584 0.001 0.000 1.087 327 A CA -0.422 51.615 52.037 -0.000 0.000 0.802 327 A CB 0.753 19.753 19.000 0.001 0.000 1.042 327 A HN -0.784 7.318 8.150 -0.004 0.045 0.489 328 K N 0.190 120.592 120.400 0.002 0.000 2.206 328 K HA 0.204 nan 4.320 nan 0.000 0.264 328 K C -0.817 175.786 176.600 0.005 0.000 0.967 328 K CA -1.507 54.781 56.287 0.003 0.000 0.844 328 K CB 1.534 34.036 32.500 0.003 0.000 1.099 328 K HN 0.075 8.217 8.250 0.003 0.110 0.441 329 I N 3.177 123.750 120.570 0.005 0.000 2.494 329 I HA -0.135 nan 4.170 nan 0.000 0.289 329 I C -0.397 175.724 176.117 0.007 0.000 1.106 329 I CA 0.479 61.783 61.300 0.007 0.000 1.369 329 I CB -0.181 37.823 38.000 0.006 0.000 1.410 329 I HN 0.222 8.434 8.210 0.004 0.000 0.523 330 V N 9.388 129.307 119.914 0.009 0.000 2.547 330 V HA 0.258 nan 4.120 nan 0.000 0.299 330 V C -0.071 176.029 176.094 0.010 0.000 1.040 330 V CA -0.910 61.395 62.300 0.009 0.000 0.913 330 V CB 2.624 34.452 31.823 0.008 0.000 0.992 330 V HN 0.118 8.314 8.190 0.011 0.000 0.449 331 T N 5.968 120.527 114.554 0.009 0.000 3.082 331 T HA 0.013 nan 4.350 nan 0.000 0.235 331 T C -1.120 173.585 174.700 0.008 0.000 0.991 331 T CA 2.307 64.412 62.100 0.010 0.000 1.220 331 T CB 0.562 69.434 68.868 0.008 0.000 0.909 331 T HN 0.185 8.430 8.240 0.007 0.000 0.424 332 D N 1.651 122.053 120.400 0.005 0.000 2.342 332 D HA 0.025 nan 4.640 nan 0.000 0.260 332 D C 1.241 177.542 176.300 0.002 0.000 1.278 332 D CA -0.597 53.404 54.000 0.002 0.000 0.910 332 D CB -0.407 40.392 40.800 -0.001 0.000 1.079 332 D HN -0.341 8.032 8.370 0.004 0.000 0.496 333 L N 4.678 125.903 121.223 0.002 0.000 2.556 333 L HA -0.309 nan 4.340 nan 0.000 0.230 333 L C 1.382 178.251 176.870 -0.001 0.000 1.163 333 L CA 1.904 56.746 54.840 0.003 0.000 0.819 333 L CB -0.669 41.392 42.059 0.004 0.000 0.939 333 L HN 0.379 8.611 8.230 0.003 0.000 0.452 334 D N 0.949 121.346 120.400 -0.004 0.000 2.317 334 D HA -0.069 nan 4.640 nan 0.000 0.211 334 D C 0.785 177.082 176.300 -0.004 0.000 0.966 334 D CA 2.460 56.456 54.000 -0.006 0.000 0.876 334 D CB 0.034 40.829 40.800 -0.009 0.000 0.927 334 D HN 0.003 8.637 8.370 -0.005 -0.267 0.519 335 D N -1.182 119.217 120.400 -0.002 0.000 2.615 335 D HA 0.161 nan 4.640 nan 0.000 0.236 335 D C -1.058 175.242 176.300 0.001 0.000 1.233 335 D CA -0.193 53.806 54.000 -0.001 0.000 0.829 335 D CB -0.204 40.596 40.800 -0.000 0.000 1.024 335 D HN 0.276 8.484 8.370 -0.001 0.162 0.490 336 L N 0.577 121.801 121.223 0.002 0.000 2.407 336 L HA 0.259 nan 4.340 nan 0.000 0.261 336 L C -1.122 175.750 176.870 0.003 0.000 1.108 336 L CA -0.884 53.959 54.840 0.004 0.000 0.995 336 L CB 0.252 42.315 42.059 0.007 0.000 1.349 336 L HN -0.697 7.438 8.230 0.000 0.094 0.423 337 T N 6.046 120.602 114.554 0.002 0.000 2.952 337 T HA 0.531 nan 4.350 nan 0.000 0.286 337 T C -0.920 173.781 174.700 0.002 0.000 1.024 337 T CA -3.487 58.613 62.100 0.001 0.000 1.029 337 T CB 1.037 69.905 68.868 0.000 0.000 1.094 337 T HN -0.358 7.883 8.240 0.002 0.000 0.515 338 P HA -0.091 nan 4.420 nan 0.000 0.219 338 P C 1.018 178.319 177.300 0.002 0.000 1.146 338 P CA 2.388 65.489 63.100 0.002 0.000 0.808 338 P CB 0.228 31.929 31.700 0.001 0.000 0.779 339 S N -1.085 114.615 115.700 0.001 0.000 2.419 339 S HA -0.264 nan 4.470 nan 0.000 0.233 339 S C 0.925 175.526 174.600 0.001 0.000 1.016 339 S CA 3.512 61.712 58.200 0.001 0.000 0.974 339 S CB 0.181 63.382 63.200 0.000 0.000 0.786 339 S HN -0.464 7.809 8.310 0.001 0.038 0.492 340 V N -7.071 112.844 119.914 0.002 0.000 3.342 340 V HA 0.336 nan 4.120 nan 0.000 0.322 340 V C -1.326 174.770 176.094 0.003 0.000 1.370 340 V CA -1.868 60.434 62.300 0.003 0.000 1.170 340 V CB -1.052 30.773 31.823 0.003 0.000 1.101 340 V HN -0.502 7.553 8.190 0.002 0.137 0.442 341 L N 1.232 122.457 121.223 0.003 0.000 2.334 341 L HA 0.426 nan 4.340 nan 0.000 0.277 341 L C -0.353 176.518 176.870 0.001 0.000 1.075 341 L CA -0.810 54.033 54.840 0.004 0.000 0.804 341 L CB 0.501 42.563 42.059 0.004 0.000 1.174 341 L HN -0.761 7.409 8.230 0.003 0.062 0.438 342 G N 0.363 109.163 108.800 -0.000 0.000 2.522 342 G HA2 0.381 nan 3.960 nan 0.000 0.304 342 G HA3 0.381 nan 3.960 nan 0.000 0.304 342 G C -1.847 173.049 174.900 -0.007 0.000 1.210 342 G CA -1.497 43.600 45.100 -0.004 0.000 0.960 342 G HN 0.776 8.954 8.290 0.002 0.113 0.497 343 E N -1.576 118.619 120.200 -0.010 0.000 2.266 343 E HA 0.704 nan 4.350 nan 0.000 0.268 343 E C -2.250 174.340 176.600 -0.017 0.000 0.879 343 E CA -1.308 55.084 56.400 -0.012 0.000 0.762 343 E CB 4.271 33.966 29.700 -0.009 0.000 1.199 343 E HN 0.375 8.619 8.360 -0.010 0.111 0.422 344 A N 2.151 124.958 122.820 -0.022 0.000 2.491 344 A HA 0.419 nan 4.320 nan 0.000 0.293 344 A C -0.642 176.926 177.584 -0.027 0.000 1.047 344 A CA -0.583 51.438 52.037 -0.027 0.000 0.735 344 A CB 2.440 21.418 19.000 -0.037 0.000 1.281 344 A HN 0.164 8.302 8.150 -0.021 0.000 0.398 345 E N 3.121 123.308 120.200 -0.022 0.000 2.118 345 E HA -0.338 nan 4.350 nan 0.000 0.195 345 E C 0.072 176.656 176.600 -0.026 0.000 0.992 345 E CA 3.658 60.046 56.400 -0.019 0.000 0.804 345 E CB 0.545 30.237 29.700 -0.014 0.000 0.741 345 E HN 0.090 8.315 8.360 -0.019 0.124 0.458 346 T N -1.503 113.032 114.554 -0.033 0.000 2.956 346 T HA 0.388 nan 4.350 nan 0.000 0.312 346 T C -2.412 172.247 174.700 -0.068 0.000 1.151 346 T CA -0.022 62.050 62.100 -0.046 0.000 1.024 346 T CB 3.278 72.126 68.868 -0.034 0.000 1.140 346 T HN -0.175 8.037 8.240 -0.030 0.010 0.473 347 V N 5.385 125.224 119.914 -0.124 0.000 2.380 347 V HA 0.715 nan 4.120 nan 0.000 0.286 347 V C -2.219 173.700 176.094 -0.291 0.000 1.015 347 V CA -0.833 61.333 62.300 -0.224 0.000 0.834 347 V CB 1.658 33.279 31.823 -0.336 0.000 1.009 347 V HN 1.080 9.080 8.190 -0.122 0.117 0.428 348 E N 5.553 125.652 120.200 -0.168 0.000 2.314 348 E HA 0.683 nan 4.350 nan 0.000 0.272 348 E C -2.466 174.162 176.600 0.048 0.000 0.884 348 E CA -2.355 53.991 56.400 -0.091 0.000 0.753 348 E CB 3.885 33.556 29.700 -0.048 0.000 1.213 348 E HN 1.030 9.243 8.360 -0.068 0.106 0.432 349 E N 4.085 124.379 120.200 0.157 0.000 2.283 349 E HA 0.352 nan 4.350 nan 0.000 0.278 349 E C -1.104 175.562 176.600 0.110 0.000 1.027 349 E CA -0.545 56.001 56.400 0.245 0.000 0.843 349 E CB 1.502 31.402 29.700 0.334 0.000 1.062 349 E HN -0.217 8.252 8.360 0.182 0.000 0.401 350 R N 3.270 123.827 120.500 0.094 0.000 2.651 350 R HA 0.320 nan 4.340 nan 0.000 0.278 350 R C -1.854 174.466 176.300 0.032 0.000 1.010 350 R CA -1.832 54.249 56.100 -0.032 0.000 0.896 350 R CB 2.492 32.627 30.300 -0.275 0.000 1.211 350 R HN 0.818 9.214 8.270 0.208 0.000 0.456 351 K N 4.810 125.216 120.400 0.009 0.000 2.262 351 K HA 0.159 nan 4.320 nan 0.000 0.288 351 K C -0.979 175.641 176.600 0.032 0.000 1.090 351 K CA 0.070 56.376 56.287 0.032 0.000 0.918 351 K CB 0.358 32.867 32.500 0.016 0.000 1.139 351 K HN 0.489 8.729 8.250 -0.016 0.000 0.462 352 I N 7.650 128.266 120.570 0.078 0.000 2.287 352 I HA 0.035 nan 4.170 nan 0.000 0.290 352 I C -0.188 175.967 176.117 0.063 0.000 1.069 352 I CA -1.735 59.617 61.300 0.085 0.000 1.237 352 I CB -1.928 36.171 38.000 0.164 0.000 1.418 352 I HN 0.248 8.521 8.210 0.105 0.000 0.481 353 G N 7.751 116.575 108.800 0.040 0.000 2.527 353 G HA2 -0.435 nan 3.960 nan 0.000 0.262 353 G HA3 -0.435 nan 3.960 nan 0.000 0.262 353 G C -0.126 174.788 174.900 0.022 0.000 1.153 353 G CA 0.639 45.757 45.100 0.030 0.000 0.954 353 G HN -0.148 8.161 8.290 0.032 0.000 0.552 354 D N 4.668 125.080 120.400 0.020 0.000 2.271 354 D HA 0.044 nan 4.640 nan 0.000 0.206 354 D C -0.113 176.199 176.300 0.019 0.000 0.967 354 D CA 0.767 54.776 54.000 0.014 0.000 0.867 354 D CB 0.363 41.168 40.800 0.008 0.000 0.960 354 D HN 0.196 8.579 8.370 0.021 0.000 0.509 355 D N -0.326 120.092 120.400 0.029 0.000 2.264 355 D HA 0.120 nan 4.640 nan 0.000 0.249 355 D C -1.574 174.758 176.300 0.054 0.000 1.070 355 D CA 0.270 54.292 54.000 0.037 0.000 0.912 355 D CB 1.561 42.385 40.800 0.040 0.000 1.193 355 D HN -0.616 7.740 8.370 0.032 0.033 0.427 356 R N 0.553 121.086 120.500 0.055 0.000 2.368 356 R HA 0.507 nan 4.340 nan 0.000 0.302 356 R C -0.734 175.630 176.300 0.107 0.000 1.002 356 R CA -0.423 55.724 56.100 0.077 0.000 0.929 356 R CB 1.680 32.014 30.300 0.057 0.000 1.073 356 R HN 0.221 8.517 8.270 0.043 0.000 0.464 357 M N 1.703 121.406 119.600 0.172 0.000 2.572 357 M HA 0.343 nan 4.480 nan 0.000 0.299 357 M C -1.261 175.210 176.300 0.284 0.000 1.205 357 M CA -1.010 54.406 55.300 0.193 0.000 0.876 357 M CB 5.210 37.932 32.600 0.204 0.000 1.728 357 M HN 0.540 8.948 8.290 0.196 0.000 0.458 358 T N 3.780 118.456 114.554 0.203 0.000 2.738 358 T HA 0.508 nan 4.350 nan 0.000 0.298 358 T C -1.126 173.649 174.700 0.124 0.000 0.962 358 T CA 0.506 62.741 62.100 0.225 0.000 0.972 358 T CB -0.110 68.887 68.868 0.215 0.000 0.928 358 T HN 0.484 8.793 8.240 0.114 0.000 0.474 359 F N 8.123 128.055 119.950 -0.030 0.000 2.391 359 F HA 0.434 nan 4.527 nan 0.000 0.359 359 F C -1.158 174.584 175.800 -0.096 0.000 1.122 359 F CA -1.159 56.806 58.000 -0.057 0.000 1.120 359 F CB 1.119 40.088 39.000 -0.051 0.000 1.142 359 F HN 1.049 9.511 8.300 0.444 0.105 0.483 360 V N 6.836 126.743 119.914 -0.013 0.000 2.294 360 V HA 0.464 nan 4.120 nan 0.000 0.272 360 V C -1.561 174.517 176.094 -0.027 0.000 1.027 360 V CA -0.735 61.541 62.300 -0.041 0.000 0.823 360 V CB -0.288 31.495 31.823 -0.067 0.000 1.030 360 V HN 0.862 8.987 8.190 -0.109 0.000 0.457 361 M N 5.706 125.304 119.600 -0.004 0.000 2.598 361 M HA 0.549 nan 4.480 nan 0.000 0.317 361 M C 0.008 176.296 176.300 -0.020 0.000 1.179 361 M CA -1.278 54.017 55.300 -0.008 0.000 0.936 361 M CB 4.130 36.744 32.600 0.024 0.000 1.713 361 M HN 0.791 9.077 8.290 -0.007 0.000 0.460 362 G N -1.257 107.529 108.800 -0.023 0.000 2.171 362 G HA2 -0.411 nan 3.960 nan 0.000 0.238 362 G HA3 -0.411 nan 3.960 nan 0.000 0.238 362 G C -0.068 174.821 174.900 -0.019 0.000 1.039 362 G CA -0.201 44.889 45.100 -0.018 0.000 0.759 362 G HN 0.184 8.456 8.290 -0.029 0.000 0.501 363 C N -1.751 117.535 119.300 -0.024 0.000 2.665 363 C HA -0.161 nan 4.460 nan 0.000 0.416 363 C C 1.359 176.340 174.990 -0.015 0.000 1.305 363 C CA 0.805 59.810 59.018 -0.022 0.000 1.903 363 C CB -0.194 27.529 27.740 -0.028 0.000 2.704 363 C HN 0.018 8.230 8.230 -0.030 0.000 0.629 364 K N 5.495 125.888 120.400 -0.012 0.000 2.089 364 K HA -0.456 nan 4.320 nan 0.000 0.210 364 K C 0.149 176.746 176.600 -0.005 0.000 1.048 364 K CA 1.965 58.247 56.287 -0.008 0.000 0.926 364 K CB 0.282 32.778 32.500 -0.007 0.000 0.714 364 K HN 0.400 8.641 8.250 -0.014 0.000 0.448 365 N N -1.467 117.229 118.700 -0.007 0.000 2.457 365 N HA 0.190 nan 4.740 nan 0.000 0.250 365 N C -1.800 173.707 175.510 -0.004 0.000 0.982 365 N CA -2.616 50.431 53.050 -0.004 0.000 0.941 365 N CB 1.334 39.819 38.487 -0.004 0.000 1.120 365 N HN -0.313 8.052 8.380 -0.010 0.010 0.505 366 P HA -0.086 nan 4.420 nan 0.000 0.221 366 P C -0.426 176.883 177.300 0.015 0.000 1.150 366 P CA 0.902 64.006 63.100 0.008 0.000 0.800 366 P CB 0.361 32.070 31.700 0.016 0.000 0.787 367 K N -1.657 118.751 120.400 0.013 0.000 3.233 367 K HA 0.014 nan 4.320 nan 0.000 0.283 367 K C -1.587 175.020 176.600 0.011 0.000 1.209 367 K CA -0.657 55.641 56.287 0.018 0.000 1.197 367 K CB -2.579 29.930 32.500 0.014 0.000 1.431 367 K HN -0.054 8.167 8.250 0.009 0.034 0.326 368 A N -0.675 122.149 122.820 0.006 0.000 2.509 368 A HA 0.421 nan 4.320 nan 0.000 0.282 368 A C -2.337 175.232 177.584 -0.026 0.000 1.054 368 A CA 0.018 52.050 52.037 -0.009 0.000 0.820 368 A CB 2.111 21.099 19.000 -0.020 0.000 1.333 368 A HN -0.129 7.941 8.150 0.009 0.086 0.409 369 V N -2.733 117.170 119.914 -0.019 0.000 3.160 369 V HA 0.899 nan 4.120 nan 0.000 0.310 369 V C -2.182 173.874 176.094 -0.062 0.000 1.181 369 V CA -2.386 59.876 62.300 -0.063 0.000 1.047 369 V CB 3.321 35.174 31.823 0.050 0.000 1.068 369 V HN 0.789 8.980 8.190 0.001 0.000 0.441 370 S N -0.631 114.993 115.700 -0.126 0.000 2.632 370 S HA 0.963 nan 4.470 nan 0.000 0.289 370 S C -1.331 173.267 174.600 -0.004 0.000 1.115 370 S CA -1.920 56.232 58.200 -0.080 0.000 0.889 370 S CB 3.634 66.745 63.200 -0.150 0.000 1.116 370 S HN 0.523 8.678 8.310 -0.258 0.000 0.486 371 I N 1.925 122.511 120.570 0.027 0.000 2.542 371 I HA 0.190 nan 4.170 nan 0.000 0.278 371 I C -2.059 174.087 176.117 0.047 0.000 1.069 371 I CA -0.529 60.819 61.300 0.079 0.000 1.100 371 I CB 2.133 40.178 38.000 0.075 0.000 1.204 371 I HN 0.831 9.040 8.210 -0.001 0.000 0.470 372 L N 8.666 129.927 121.223 0.064 0.000 2.334 372 L HA 0.327 nan 4.340 nan 0.000 0.286 372 L C -1.774 175.151 176.870 0.092 0.000 1.108 372 L CA -1.229 53.649 54.840 0.063 0.000 0.875 372 L CB -0.026 42.092 42.059 0.098 0.000 1.246 372 L HN 0.337 8.621 8.230 0.091 0.000 0.439 373 I N 8.220 128.833 120.570 0.071 0.000 2.471 373 I HA -0.009 nan 4.170 nan 0.000 0.286 373 I C -1.127 175.038 176.117 0.079 0.000 1.079 373 I CA 0.735 62.083 61.300 0.080 0.000 1.398 373 I CB -0.306 37.729 38.000 0.059 0.000 1.403 373 I HN 0.903 9.027 8.210 0.050 0.117 0.530 374 R N 7.070 127.625 120.500 0.093 0.000 2.892 374 R HA 0.640 nan 4.340 nan 0.000 0.265 374 R C -0.251 176.090 176.300 0.068 0.000 1.025 374 R CA -2.370 53.775 56.100 0.075 0.000 0.982 374 R CB 2.504 32.850 30.300 0.077 0.000 1.185 374 R HN -0.346 7.994 8.270 0.116 0.000 0.484 375 G N -3.219 105.611 108.800 0.050 0.000 4.248 375 G HA2 -0.024 nan 3.960 nan 0.000 0.218 375 G HA3 -0.024 nan 3.960 nan 0.000 0.218 375 G C -1.369 173.550 174.900 0.033 0.000 0.790 375 G CA 0.021 45.148 45.100 0.045 0.000 0.844 375 G HN 0.653 8.874 8.290 0.043 0.095 0.588 376 G N 0.334 109.149 108.800 0.025 0.000 2.512 376 G HA2 -0.328 nan 3.960 nan 0.000 0.210 376 G HA3 -0.328 nan 3.960 nan 0.000 0.210 376 G C -0.118 174.788 174.900 0.010 0.000 1.295 376 G CA -0.355 44.755 45.100 0.016 0.000 0.934 376 G HN -0.275 7.927 8.290 0.026 0.103 0.554 377 T N -3.557 110.999 114.554 0.004 0.000 9.723 377 T HA -0.361 nan 4.350 nan 0.000 0.319 377 T C -0.490 174.180 174.700 -0.049 0.000 1.568 377 T CA 2.735 64.827 62.100 -0.012 0.000 1.898 377 T CB -0.427 68.453 68.868 0.021 0.000 2.243 377 T HN 0.236 8.480 8.240 0.007 0.000 0.682 378 D N -3.722 116.656 120.400 -0.037 0.000 2.433 378 D HA -0.131 nan 4.640 nan 0.000 0.526 378 D C 0.843 177.150 176.300 0.011 0.000 0.339 378 D CA 0.735 54.698 54.000 -0.061 0.000 0.970 378 D CB -1.692 38.997 40.800 -0.185 0.000 1.859 378 D HN -0.075 8.360 8.370 0.009 -0.060 0.552 379 H N 0.972 120.049 119.070 0.012 0.000 2.457 379 H HA -0.131 nan 4.556 nan 0.000 0.297 379 H C 2.279 177.615 175.328 0.013 0.000 1.092 379 H CA 2.446 58.501 56.048 0.011 0.000 1.309 379 H CB 0.013 29.780 29.762 0.010 0.000 1.382 379 H HN 0.184 8.386 8.280 -0.129 0.000 0.535 380 V N -0.315 119.679 119.914 0.133 0.000 2.535 380 V HA -0.155 nan 4.120 nan 0.000 0.246 380 V C 1.301 177.435 176.094 0.067 0.000 1.045 380 V CA 3.337 65.687 62.300 0.084 0.000 1.058 380 V CB -0.270 31.592 31.823 0.064 0.000 0.689 380 V HN -0.005 8.301 8.190 0.110 -0.050 0.461 381 V N 0.928 120.879 119.914 0.060 0.000 2.358 381 V HA -0.361 nan 4.120 nan 0.000 0.246 381 V C 2.082 178.207 176.094 0.051 0.000 1.047 381 V CA 4.067 66.398 62.300 0.051 0.000 1.035 381 V CB -0.827 31.021 31.823 0.041 0.000 0.658 381 V HN -0.757 7.373 8.190 0.057 0.095 0.452 382 S N -0.693 115.043 115.700 0.061 0.000 2.359 382 S HA -0.397 nan 4.470 nan 0.000 0.223 382 S C 2.160 176.787 174.600 0.045 0.000 1.039 382 S CA 4.390 62.624 58.200 0.056 0.000 1.042 382 S CB -0.530 62.718 63.200 0.079 0.000 0.915 382 S HN 0.109 8.462 8.310 0.071 0.000 0.439 383 E N 1.960 122.189 120.200 0.048 0.000 2.051 383 E HA -0.225 nan 4.350 nan 0.000 0.192 383 E C 2.206 178.823 176.600 0.029 0.000 0.991 383 E CA 2.939 59.358 56.400 0.032 0.000 0.799 383 E CB -0.171 29.546 29.700 0.028 0.000 0.748 383 E HN -0.730 7.668 8.360 0.063 0.000 0.449 384 V N 0.568 120.504 119.914 0.037 0.000 2.469 384 V HA -0.455 nan 4.120 nan 0.000 0.251 384 V C 1.873 177.985 176.094 0.029 0.000 1.064 384 V CA 4.272 66.594 62.300 0.036 0.000 1.066 384 V CB -0.963 30.889 31.823 0.048 0.000 0.667 384 V HN -0.057 8.159 8.190 0.044 0.000 0.461 385 E N -0.444 119.774 120.200 0.030 0.000 2.047 385 E HA -0.380 nan 4.350 nan 0.000 0.191 385 E C 2.113 178.722 176.600 0.015 0.000 0.987 385 E CA 3.622 60.036 56.400 0.023 0.000 0.799 385 E CB -0.208 29.506 29.700 0.024 0.000 0.752 385 E HN 0.015 8.307 8.360 0.035 0.089 0.449 386 R N -1.095 119.415 120.500 0.016 0.000 2.105 386 R HA -0.333 nan 4.340 nan 0.000 0.239 386 R C 2.485 178.788 176.300 0.005 0.000 1.135 386 R CA 3.048 59.154 56.100 0.010 0.000 0.967 386 R CB -0.160 30.146 30.300 0.010 0.000 0.861 386 R HN -0.074 8.141 8.270 0.021 0.068 0.442 387 A N -0.173 122.651 122.820 0.007 0.000 1.872 387 A HA -0.133 nan 4.320 nan 0.000 0.214 387 A C 1.826 179.408 177.584 -0.004 0.000 1.187 387 A CA 2.901 54.939 52.037 0.002 0.000 0.614 387 A CB -0.582 18.422 19.000 0.007 0.000 0.826 387 A HN 0.359 8.317 8.150 0.012 0.199 0.442 388 L N -2.276 118.945 121.223 -0.003 0.000 2.261 388 L HA -0.448 nan 4.340 nan 0.000 0.216 388 L C 1.991 178.853 176.870 -0.014 0.000 1.114 388 L CA 3.216 58.047 54.840 -0.014 0.000 0.777 388 L CB -0.050 42.003 42.059 -0.011 0.000 0.910 388 L HN 0.257 8.382 8.230 0.004 0.108 0.440 389 N N -0.153 118.543 118.700 -0.007 0.000 2.207 389 N HA -0.285 nan 4.740 nan 0.000 0.182 389 N C 1.816 177.320 175.510 -0.009 0.000 1.020 389 N CA 4.355 57.401 53.050 -0.006 0.000 0.858 389 N CB -0.188 38.298 38.487 -0.002 0.000 0.991 389 N HN -0.190 8.070 8.380 -0.002 0.118 0.427 390 D N 0.920 121.315 120.400 -0.008 0.000 2.104 390 D HA -0.305 nan 4.640 nan 0.000 0.194 390 D C 1.799 178.089 176.300 -0.015 0.000 0.994 390 D CA 3.455 57.450 54.000 -0.009 0.000 0.830 390 D CB -0.477 40.318 40.800 -0.008 0.000 0.959 390 D HN -0.579 7.787 8.370 -0.006 0.000 0.452 391 A N -0.312 122.495 122.820 -0.021 0.000 1.865 391 A HA -0.268 nan 4.320 nan 0.000 0.217 391 A C 2.160 179.724 177.584 -0.033 0.000 1.191 391 A CA 3.197 55.215 52.037 -0.032 0.000 0.623 391 A CB -0.574 18.402 19.000 -0.040 0.000 0.826 391 A HN -0.314 7.825 8.150 -0.019 0.000 0.444 392 I N -1.897 118.656 120.570 -0.028 0.000 2.163 392 I HA -0.621 nan 4.170 nan 0.000 0.243 392 I C 2.366 178.472 176.117 -0.018 0.000 1.085 392 I CA 4.087 65.372 61.300 -0.025 0.000 1.347 392 I CB -0.276 37.714 38.000 -0.016 0.000 1.044 392 I HN -0.021 8.065 8.210 -0.026 0.108 0.408 393 R N -0.973 119.519 120.500 -0.013 0.000 2.073 393 R HA -0.331 nan 4.340 nan 0.000 0.234 393 R C 2.401 178.697 176.300 -0.007 0.000 1.134 393 R CA 3.973 60.069 56.100 -0.007 0.000 0.952 393 R CB -0.040 30.258 30.300 -0.003 0.000 0.850 393 R HN 0.012 8.274 8.270 -0.013 0.000 0.433 394 V N -3.069 116.838 119.914 -0.012 0.000 2.427 394 V HA -0.181 nan 4.120 nan 0.000 0.248 394 V C 1.724 177.805 176.094 -0.022 0.000 1.051 394 V CA 3.762 66.054 62.300 -0.014 0.000 1.048 394 V CB -1.110 30.702 31.823 -0.018 0.000 0.666 394 V HN -0.064 8.118 8.190 -0.014 0.000 0.456 395 V N 0.951 120.847 119.914 -0.031 0.000 2.343 395 V HA -0.438 nan 4.120 nan 0.000 0.247 395 V C 1.818 177.896 176.094 -0.025 0.000 1.051 395 V CA 4.488 66.765 62.300 -0.038 0.000 1.036 395 V CB -1.835 29.958 31.823 -0.049 0.000 0.654 395 V HN 0.140 8.311 8.190 -0.032 0.000 0.451 396 A N -0.286 122.523 122.820 -0.018 0.000 1.858 396 A HA -0.354 nan 4.320 nan 0.000 0.216 396 A C 1.832 179.414 177.584 -0.004 0.000 1.190 396 A CA 3.407 55.438 52.037 -0.010 0.000 0.617 396 A CB -0.863 18.134 19.000 -0.006 0.000 0.827 396 A HN -0.388 7.753 8.150 -0.019 -0.003 0.443 397 I N -2.362 118.208 120.570 -0.000 0.000 2.091 397 I HA -0.692 nan 4.170 nan 0.000 0.239 397 I C 1.948 178.068 176.117 0.006 0.000 1.061 397 I CA 4.644 65.948 61.300 0.007 0.000 1.317 397 I CB -0.342 37.666 38.000 0.013 0.000 1.031 397 I HN 0.142 8.351 8.210 -0.002 0.000 0.401 398 T N 1.608 116.164 114.554 0.003 0.000 2.737 398 T HA -0.413 nan 4.350 nan 0.000 0.269 398 T C 1.901 176.608 174.700 0.012 0.000 1.040 398 T CA 4.732 66.840 62.100 0.012 0.000 1.142 398 T CB -0.846 68.023 68.868 0.002 0.000 0.861 398 T HN 0.219 8.458 8.240 -0.003 0.000 0.456 399 K N 0.306 120.706 120.400 0.000 0.000 2.063 399 K HA -0.319 nan 4.320 nan 0.000 0.208 399 K C 1.158 177.760 176.600 0.004 0.000 1.048 399 K CA 2.732 59.019 56.287 -0.000 0.000 0.928 399 K CB -0.254 32.242 32.500 -0.007 0.000 0.713 399 K HN 0.000 8.159 8.250 -0.006 0.087 0.442 400 E N -3.570 116.632 120.200 0.004 0.000 2.051 400 E HA -0.183 nan 4.350 nan 0.000 0.189 400 E C 1.619 178.220 176.600 0.002 0.000 0.979 400 E CA 2.013 58.414 56.400 0.003 0.000 0.803 400 E CB 0.250 29.953 29.700 0.005 0.000 0.761 400 E HN -0.538 7.724 8.360 0.003 0.100 0.451 401 D N -3.352 117.049 120.400 0.003 0.000 2.224 401 D HA -0.038 nan 4.640 nan 0.000 0.205 401 D C 1.750 178.046 176.300 -0.007 0.000 0.965 401 D CA 1.154 55.151 54.000 -0.005 0.000 0.852 401 D CB 0.626 41.422 40.800 -0.007 0.000 0.947 401 D HN 0.115 8.380 8.370 0.006 0.108 0.494 402 G N -0.678 108.128 108.800 0.010 0.000 2.186 402 G HA2 -0.548 nan 3.960 nan 0.000 0.266 402 G HA3 -0.548 nan 3.960 nan 0.000 0.266 402 G C -1.694 173.211 174.900 0.009 0.000 0.982 402 G CA 1.367 46.479 45.100 0.019 0.000 0.670 402 G HN 0.474 8.641 8.290 0.016 0.133 0.533 403 K N -1.630 118.762 120.400 -0.013 0.000 2.340 403 K HA 0.999 nan 4.320 nan 0.000 0.244 403 K C -1.367 175.214 176.600 -0.032 0.000 0.973 403 K CA -2.003 54.215 56.287 -0.115 0.000 0.828 403 K CB 3.452 35.869 32.500 -0.138 0.000 1.226 403 K HN -0.683 7.496 8.250 -0.001 0.070 0.437 404 F N -3.621 116.219 119.950 -0.184 0.000 2.985 404 F HA 0.866 nan 4.527 nan 0.000 0.322 404 F C -2.798 172.799 175.800 -0.338 0.000 1.187 404 F CA -1.637 56.221 58.000 -0.236 0.000 0.910 404 F CB 2.243 41.088 39.000 -0.258 0.000 1.411 404 F HN 0.399 8.118 8.300 -0.787 0.109 0.492 405 L N -3.430 117.794 121.223 0.001 0.000 2.341 405 L HA 0.390 nan 4.340 nan 0.000 0.254 405 L C -0.959 175.749 176.870 -0.270 0.000 1.040 405 L CA -1.834 52.868 54.840 -0.231 0.000 0.837 405 L CB 4.173 46.172 42.059 -0.099 0.000 1.425 405 L HN 0.579 8.802 8.230 0.149 0.097 0.414 406 W N -0.391 120.996 121.300 0.145 0.000 2.437 406 W HA 0.126 nan 4.660 nan 0.000 0.312 406 W C 0.614 177.173 176.519 0.066 0.000 1.242 406 W CA -0.315 57.099 57.345 0.114 0.000 1.340 406 W CB 0.166 29.673 29.460 0.078 0.000 1.327 406 W HN 0.245 8.334 8.180 -0.151 0.000 0.476 407 G N 1.896 110.854 108.800 0.263 0.000 2.583 407 G HA2 -0.079 nan 3.960 nan 0.000 0.275 407 G HA3 -0.079 nan 3.960 nan 0.000 0.275 407 G C -0.314 174.668 174.900 0.136 0.000 1.342 407 G CA -0.820 44.369 45.100 0.149 0.000 1.030 407 G HN 0.654 9.032 8.290 0.305 0.095 0.520 408 G N -1.527 107.321 108.800 0.080 0.000 2.370 408 G HA2 -0.467 nan 3.960 nan 0.000 0.293 408 G HA3 -0.467 nan 3.960 nan 0.000 0.293 408 G C 0.584 175.516 174.900 0.053 0.000 0.992 408 G CA 0.555 45.690 45.100 0.058 0.000 1.247 408 G HN 0.366 8.694 8.290 0.063 0.000 0.505 409 G N -1.244 107.583 108.800 0.045 0.000 2.245 409 G HA2 -0.596 nan 3.960 nan 0.000 0.264 409 G HA3 -0.596 nan 3.960 nan 0.000 0.264 409 G C 0.285 175.216 174.900 0.052 0.000 0.985 409 G CA 0.774 45.895 45.100 0.035 0.000 0.625 409 G HN 0.117 8.431 8.290 0.041 0.000 0.536 410 A N 2.050 124.921 122.820 0.086 0.000 1.834 410 A HA -0.326 nan 4.320 nan 0.000 0.216 410 A C 1.290 178.942 177.584 0.112 0.000 1.203 410 A CA 3.486 55.592 52.037 0.115 0.000 0.621 410 A CB -0.388 18.735 19.000 0.205 0.000 0.841 410 A HN -0.550 7.563 8.150 0.099 0.097 0.446 411 V N -0.600 119.388 119.914 0.124 0.000 2.250 411 V HA -0.606 nan 4.120 nan 0.000 0.250 411 V C 2.370 178.496 176.094 0.054 0.000 1.060 411 V CA 4.631 66.982 62.300 0.086 0.000 1.030 411 V CB -1.300 30.555 31.823 0.054 0.000 0.643 411 V HN -0.204 8.076 8.190 0.150 0.000 0.445 412 E N -0.581 119.642 120.200 0.038 0.000 2.038 412 E HA -0.462 nan 4.350 nan 0.000 0.195 412 E C 1.878 178.493 176.600 0.024 0.000 1.000 412 E CA 3.585 59.995 56.400 0.017 0.000 0.803 412 E CB -0.922 28.776 29.700 -0.003 0.000 0.750 412 E HN -0.168 8.216 8.360 0.041 0.000 0.448 413 A N -1.147 121.691 122.820 0.030 0.000 1.917 413 A HA -0.341 nan 4.320 nan 0.000 0.219 413 A C 2.395 180.001 177.584 0.037 0.000 1.182 413 A CA 3.154 55.209 52.037 0.029 0.000 0.633 413 A CB -0.780 18.238 19.000 0.029 0.000 0.819 413 A HN 0.205 8.376 8.150 0.034 0.000 0.448 414 E N -0.920 119.308 120.200 0.047 0.000 2.017 414 E HA -0.265 nan 4.350 nan 0.000 0.193 414 E C 2.175 178.802 176.600 0.045 0.000 0.997 414 E CA 2.372 58.801 56.400 0.048 0.000 0.804 414 E CB -0.324 29.413 29.700 0.062 0.000 0.757 414 E HN -0.387 8.004 8.360 0.055 0.002 0.448 415 L N -1.060 120.190 121.223 0.046 0.000 2.043 415 L HA -0.455 nan 4.340 nan 0.000 0.212 415 L C 2.238 179.150 176.870 0.069 0.000 1.075 415 L CA 3.125 57.996 54.840 0.052 0.000 0.752 415 L CB -0.477 41.619 42.059 0.061 0.000 0.891 415 L HN 0.123 8.381 8.230 0.046 0.000 0.432 416 A N -1.137 121.720 122.820 0.061 0.000 1.877 416 A HA -0.398 nan 4.320 nan 0.000 0.216 416 A C 1.868 179.493 177.584 0.068 0.000 1.186 416 A CA 3.112 55.189 52.037 0.067 0.000 0.620 416 A CB -0.864 18.159 19.000 0.038 0.000 0.822 416 A HN 0.566 8.633 8.150 0.047 0.111 0.443 417 M N -1.441 118.191 119.600 0.053 0.000 2.086 417 M HA -0.459 nan 4.480 nan 0.000 0.261 417 M C 2.366 178.702 176.300 0.059 0.000 1.067 417 M CA 3.644 58.974 55.300 0.050 0.000 1.116 417 M CB 0.064 32.687 32.600 0.039 0.000 1.348 417 M HN -0.386 7.864 8.290 0.046 0.068 0.407 418 R N -2.070 118.464 120.500 0.056 0.000 2.066 418 R HA -0.302 nan 4.340 nan 0.000 0.232 418 R C 2.569 178.923 176.300 0.090 0.000 1.131 418 R CA 3.319 59.454 56.100 0.059 0.000 0.955 418 R CB -0.074 30.246 30.300 0.034 0.000 0.851 418 R HN 0.041 8.341 8.270 0.050 0.000 0.432 419 L N -1.164 120.114 121.223 0.092 0.000 2.131 419 L HA -0.315 nan 4.340 nan 0.000 0.210 419 L C 2.047 179.027 176.870 0.184 0.000 1.092 419 L CA 2.839 57.763 54.840 0.140 0.000 0.759 419 L CB -0.541 41.604 42.059 0.144 0.000 0.903 419 L HN 0.349 8.514 8.230 0.078 0.111 0.435 420 A N -2.478 120.421 122.820 0.133 0.000 2.067 420 A HA -0.265 nan 4.320 nan 0.000 0.219 420 A C 1.620 179.263 177.584 0.098 0.000 1.158 420 A CA 2.958 55.062 52.037 0.111 0.000 0.661 420 A CB -0.872 18.178 19.000 0.082 0.000 0.801 420 A HN 0.208 8.425 8.150 0.112 0.000 0.452 421 K N -1.193 119.272 120.400 0.107 0.000 2.098 421 K HA -0.205 nan 4.320 nan 0.000 0.203 421 K C 2.177 178.843 176.600 0.110 0.000 1.051 421 K CA 2.602 58.943 56.287 0.089 0.000 0.957 421 K CB 0.109 32.658 32.500 0.082 0.000 0.738 421 K HN -0.512 7.661 8.250 0.113 0.144 0.447 422 Y N 0.300 120.609 120.300 0.015 0.000 2.274 422 Y HA -0.404 nan 4.550 nan 0.000 0.290 422 Y C 1.288 177.193 175.900 0.008 0.000 1.145 422 Y CA 2.752 60.856 58.100 0.007 0.000 1.203 422 Y CB -0.024 38.437 38.460 0.000 0.000 0.984 422 Y HN -0.220 8.215 8.280 0.259 0.000 0.533 423 A N -1.344 121.504 122.820 0.047 0.000 1.883 423 A HA -0.404 nan 4.320 nan 0.000 0.217 423 A C 1.804 179.327 177.584 -0.102 0.000 1.186 423 A CA 3.000 55.014 52.037 -0.038 0.000 0.624 423 A CB -0.811 18.226 19.000 0.061 0.000 0.822 423 A HN 0.009 8.177 8.150 0.184 0.092 0.444 424 N N -2.146 116.522 118.700 -0.053 0.000 2.223 424 N HA -0.256 nan 4.740 nan 0.000 0.185 424 N C 1.537 176.991 175.510 -0.093 0.000 1.016 424 N CA 2.441 55.459 53.050 -0.052 0.000 0.863 424 N CB -0.041 38.434 38.487 -0.019 0.000 0.983 424 N HN -0.341 8.033 8.380 -0.010 0.000 0.429 425 S N -2.088 113.526 115.700 -0.143 0.000 2.803 425 S HA -0.008 nan 4.470 nan 0.000 0.228 425 S C -1.158 173.291 174.600 -0.251 0.000 0.953 425 S CA 0.478 58.579 58.200 -0.165 0.000 0.983 425 S CB -0.106 63.010 63.200 -0.141 0.000 0.784 425 S HN -0.574 7.527 8.310 -0.147 0.121 0.498 426 V N -0.631 119.135 119.914 -0.246 0.000 3.126 426 V HA 0.270 nan 4.120 nan 0.000 0.314 426 V C -0.257 175.761 176.094 -0.126 0.000 1.138 426 V CA -1.004 61.155 62.300 -0.235 0.000 1.034 426 V CB 2.931 34.557 31.823 -0.328 0.000 1.075 426 V HN -0.589 7.297 8.190 -0.194 0.187 0.442 427 G N 0.852 109.595 108.800 -0.095 0.000 2.680 427 G HA2 -0.178 nan 3.960 nan 0.000 0.274 427 G HA3 -0.178 nan 3.960 nan 0.000 0.274 427 G C 0.878 175.752 174.900 -0.045 0.000 1.292 427 G CA 0.273 45.337 45.100 -0.059 0.000 1.007 427 G HN 0.269 8.498 8.290 -0.103 0.000 0.578 428 G N -0.443 108.339 108.800 -0.030 0.000 2.616 428 G HA2 -0.261 nan 3.960 nan 0.000 0.215 428 G HA3 -0.261 nan 3.960 nan 0.000 0.215 428 G C 1.459 176.351 174.900 -0.013 0.000 1.284 428 G CA 1.457 46.545 45.100 -0.019 0.000 0.823 428 G HN 0.075 8.347 8.290 -0.030 0.000 0.569 429 R N -0.047 120.446 120.500 -0.011 0.000 2.080 429 R HA -0.242 nan 4.340 nan 0.000 0.236 429 R C 2.689 178.987 176.300 -0.004 0.000 1.137 429 R CA 3.494 59.591 56.100 -0.005 0.000 0.943 429 R CB -0.540 29.758 30.300 -0.004 0.000 0.846 429 R HN 0.261 8.523 8.270 -0.014 0.000 0.431 430 E N -1.712 118.480 120.200 -0.013 0.000 2.160 430 E HA -0.312 nan 4.350 nan 0.000 0.195 430 E C 2.251 178.854 176.600 0.006 0.000 0.991 430 E CA 3.545 59.941 56.400 -0.007 0.000 0.810 430 E CB -0.912 28.777 29.700 -0.018 0.000 0.742 430 E HN 0.410 8.759 8.360 -0.019 0.000 0.466 431 Q N 0.225 120.018 119.800 -0.012 0.000 2.002 431 Q HA -0.342 nan 4.340 nan 0.000 0.204 431 Q C 2.152 178.175 176.000 0.038 0.000 0.988 431 Q CA 3.259 59.059 55.803 -0.004 0.000 0.843 431 Q CB -0.296 28.430 28.738 -0.020 0.000 0.908 431 Q HN -0.626 7.621 8.270 -0.023 0.009 0.420 432 L N -1.795 119.447 121.223 0.033 0.000 2.064 432 L HA -0.486 nan 4.340 nan 0.000 0.216 432 L C 2.305 179.226 176.870 0.085 0.000 1.077 432 L CA 2.776 57.646 54.840 0.050 0.000 0.766 432 L CB -0.605 41.474 42.059 0.033 0.000 0.890 432 L HN -0.526 7.714 8.230 0.016 0.000 0.435 433 A N -0.992 121.874 122.820 0.077 0.000 1.902 433 A HA -0.306 nan 4.320 nan 0.000 0.217 433 A C 2.172 179.916 177.584 0.266 0.000 1.181 433 A CA 3.039 55.146 52.037 0.116 0.000 0.623 433 A CB -0.702 18.306 19.000 0.014 0.000 0.818 433 A HN -0.317 7.779 8.150 0.045 0.081 0.443 434 I N -2.483 118.208 120.570 0.202 0.000 2.617 434 I HA -0.520 nan 4.170 nan 0.000 0.256 434 I C 2.117 178.379 176.117 0.242 0.000 1.167 434 I CA 3.787 65.229 61.300 0.237 0.000 1.469 434 I CB -0.207 37.908 38.000 0.191 0.000 1.098 434 I HN 0.220 8.422 8.210 0.130 0.086 0.436 435 E N 0.146 120.453 120.200 0.177 0.000 2.106 435 E HA -0.379 nan 4.350 nan 0.000 0.192 435 E C 2.195 178.895 176.600 0.167 0.000 0.984 435 E CA 3.403 59.891 56.400 0.146 0.000 0.806 435 E CB -0.431 29.328 29.700 0.098 0.000 0.750 435 E HN 0.405 8.852 8.360 0.145 0.000 0.458 436 A N -0.431 122.512 122.820 0.206 0.000 1.902 436 A HA -0.224 nan 4.320 nan 0.000 0.217 436 A C 1.855 179.564 177.584 0.208 0.000 1.181 436 A CA 3.001 55.169 52.037 0.217 0.000 0.623 436 A CB -0.742 18.438 19.000 0.299 0.000 0.818 436 A HN -0.301 7.901 8.150 0.207 0.072 0.443 437 F N -0.436 119.571 119.950 0.095 0.000 2.186 437 F HA -0.400 nan 4.527 nan 0.000 0.299 437 F C 0.932 176.707 175.800 -0.041 0.000 1.090 437 F CA 2.775 60.724 58.000 -0.086 0.000 1.307 437 F CB 0.221 39.173 39.000 -0.080 0.000 1.019 437 F HN -0.557 7.952 8.300 0.481 0.080 0.489 438 A N -0.537 122.443 122.820 0.266 0.000 1.883 438 A HA -0.415 nan 4.320 nan 0.000 0.217 438 A C 1.987 179.593 177.584 0.036 0.000 1.186 438 A CA 3.291 55.422 52.037 0.157 0.000 0.624 438 A CB -0.836 18.253 19.000 0.149 0.000 0.822 438 A HN 0.016 8.276 8.150 0.311 0.078 0.444 439 K N -1.961 118.457 120.400 0.030 0.000 2.057 439 K HA -0.337 nan 4.320 nan 0.000 0.207 439 K C 2.797 179.357 176.600 -0.067 0.000 1.049 439 K CA 2.762 59.045 56.287 -0.006 0.000 0.931 439 K CB -0.059 32.450 32.500 0.015 0.000 0.714 439 K HN -0.328 7.965 8.250 0.071 0.000 0.440 440 A N -0.090 122.652 122.820 -0.130 0.000 1.948 440 A HA -0.218 nan 4.320 nan 0.000 0.220 440 A C 2.452 179.887 177.584 -0.249 0.000 1.177 440 A CA 2.790 54.695 52.037 -0.221 0.000 0.636 440 A CB -0.863 17.913 19.000 -0.372 0.000 0.815 440 A HN -0.325 7.762 8.150 -0.105 0.000 0.449 441 L N -3.633 117.425 121.223 -0.277 0.000 2.131 441 L HA -0.356 nan 4.340 nan 0.000 0.210 441 L C 2.220 179.027 176.870 -0.105 0.000 1.092 441 L CA 2.696 57.412 54.840 -0.208 0.000 0.759 441 L CB -0.280 41.691 42.059 -0.146 0.000 0.903 441 L HN -0.225 7.824 8.230 -0.297 0.003 0.435 442 E N -1.446 118.710 120.200 -0.073 0.000 2.516 442 E HA -0.263 nan 4.350 nan 0.000 0.199 442 E C 1.765 178.339 176.600 -0.043 0.000 1.069 442 E CA 1.945 58.321 56.400 -0.040 0.000 0.876 442 E CB -0.637 29.049 29.700 -0.022 0.000 0.843 442 E HN -0.419 7.755 8.360 -0.076 0.140 0.530 443 I N 1.080 121.611 120.570 -0.065 0.000 2.361 443 I HA -0.352 nan 4.170 nan 0.000 0.251 443 I C 0.935 177.025 176.117 -0.045 0.000 1.133 443 I CA 2.556 63.822 61.300 -0.057 0.000 1.413 443 I CB -0.271 37.684 38.000 -0.076 0.000 1.073 443 I HN -0.368 7.590 8.210 -0.092 0.197 0.424 444 I N -0.421 120.120 120.570 -0.047 0.000 2.113 444 I HA -0.219 nan 4.170 nan 0.000 0.238 444 I C -1.046 175.061 176.117 -0.017 0.000 1.070 444 I CA 4.416 65.697 61.300 -0.032 0.000 1.332 444 I CB -3.873 34.109 38.000 -0.030 0.000 1.044 444 I HN -0.729 7.427 8.210 -0.061 0.017 0.402 445 P HA -0.289 nan 4.420 nan 0.000 0.214 445 P C 1.598 178.895 177.300 -0.006 0.000 1.163 445 P CA 3.513 66.611 63.100 -0.003 0.000 0.889 445 P CB -0.489 31.210 31.700 -0.000 0.000 0.790 446 R N -2.774 117.720 120.500 -0.011 0.000 2.096 446 R HA -0.434 nan 4.340 nan 0.000 0.240 446 R C 2.161 178.455 176.300 -0.010 0.000 1.139 446 R CA 3.814 59.908 56.100 -0.010 0.000 0.952 446 R CB -0.157 30.135 30.300 -0.014 0.000 0.854 446 R HN -0.305 7.957 8.270 -0.014 0.000 0.436 447 T N 2.801 117.347 114.554 -0.014 0.000 2.674 447 T HA -0.257 nan 4.350 nan 0.000 0.265 447 T C 2.173 176.868 174.700 -0.008 0.000 1.039 447 T CA 5.196 67.289 62.100 -0.013 0.000 1.150 447 T CB -0.545 68.312 68.868 -0.017 0.000 0.864 447 T HN -0.009 8.151 8.240 -0.018 0.069 0.427 448 L N 0.026 121.246 121.223 -0.006 0.000 2.021 448 L HA -0.512 nan 4.340 nan 0.000 0.215 448 L C 1.760 178.630 176.870 -0.001 0.000 1.074 448 L CA 3.438 58.277 54.840 -0.001 0.000 0.760 448 L CB -0.749 41.312 42.059 0.003 0.000 0.889 448 L HN 0.141 8.367 8.230 -0.007 0.000 0.433 449 A N -1.675 121.144 122.820 -0.001 0.000 1.845 449 A HA -0.412 nan 4.320 nan 0.000 0.215 449 A C 2.127 179.710 177.584 -0.002 0.000 1.195 449 A CA 3.091 55.127 52.037 -0.001 0.000 0.616 449 A CB -1.097 17.902 19.000 -0.001 0.000 0.832 449 A HN 0.054 8.204 8.150 -0.002 -0.001 0.443 450 E N -1.490 118.707 120.200 -0.004 0.000 2.086 450 E HA -0.496 nan 4.350 nan 0.000 0.200 450 E C 3.201 179.799 176.600 -0.003 0.000 1.012 450 E CA 3.285 59.683 56.400 -0.004 0.000 0.812 450 E CB -0.261 29.435 29.700 -0.006 0.000 0.743 450 E HN 0.056 8.414 8.360 -0.005 0.000 0.453 451 N N -0.540 118.158 118.700 -0.004 0.000 2.120 451 N HA -0.272 nan 4.740 nan 0.000 0.188 451 N C 0.921 176.430 175.510 -0.002 0.000 1.024 451 N CA 2.125 55.173 53.050 -0.003 0.000 0.852 451 N CB -0.182 38.303 38.487 -0.003 0.000 1.003 451 N HN -0.037 8.338 8.380 -0.004 0.003 0.424 452 A N -3.785 119.035 122.820 -0.001 0.000 2.070 452 A HA -0.097 nan 4.320 nan 0.000 0.220 452 A C 0.283 177.867 177.584 -0.000 0.000 1.159 452 A CA 0.968 53.005 52.037 0.000 0.000 0.656 452 A CB 0.132 19.133 19.000 0.001 0.000 0.800 452 A HN -0.374 7.702 8.150 -0.001 0.073 0.453 453 G N -3.128 105.671 108.800 -0.001 0.000 2.157 453 G HA2 -0.246 nan 3.960 nan 0.000 0.239 453 G HA3 -0.246 nan 3.960 nan 0.000 0.239 453 G C -0.132 174.768 174.900 -0.001 0.000 0.982 453 G CA -0.081 45.018 45.100 -0.001 0.000 0.650 453 G HN -0.421 7.694 8.290 -0.001 0.174 0.527 454 I N -4.991 115.578 120.570 -0.001 0.000 3.223 454 I HA 0.207 nan 4.170 nan 0.000 0.317 454 I C -0.881 175.235 176.117 -0.001 0.000 1.050 454 I CA -1.828 59.471 61.300 -0.001 0.000 1.069 454 I CB 1.349 39.349 38.000 -0.001 0.000 1.406 454 I HN -0.561 7.609 8.210 -0.001 0.040 0.596 455 D N 1.119 121.518 120.400 -0.001 0.000 2.374 455 D HA 0.316 nan 4.640 nan 0.000 0.240 455 D C -0.539 175.761 176.300 -0.001 0.000 1.229 455 D CA -2.902 51.097 54.000 -0.001 0.000 0.895 455 D CB 0.219 41.018 40.800 -0.001 0.000 1.046 455 D HN -0.055 8.314 8.370 -0.001 0.000 0.498 456 P HA -0.334 nan 4.420 nan 0.000 0.212 456 P C 1.094 178.393 177.300 -0.002 0.000 1.174 456 P CA 2.575 65.673 63.100 -0.002 0.000 0.934 456 P CB -0.059 31.639 31.700 -0.003 0.000 0.791 457 I N -3.422 117.147 120.570 -0.001 0.000 2.118 457 I HA -0.485 nan 4.170 nan 0.000 0.241 457 I C 1.326 177.443 176.117 0.001 0.000 1.070 457 I CA 2.978 64.278 61.300 0.000 0.000 1.327 457 I CB -0.270 37.731 38.000 0.001 0.000 1.034 457 I HN 0.044 8.253 8.210 -0.001 0.000 0.405 458 N N -2.114 116.587 118.700 0.000 0.000 2.188 458 N HA -0.280 nan 4.740 nan 0.000 0.184 458 N C 1.955 177.465 175.510 0.000 0.000 1.018 458 N CA 3.586 56.636 53.050 0.000 0.000 0.858 458 N CB 0.186 38.673 38.487 -0.000 0.000 0.989 458 N HN -0.519 8.056 8.380 0.000 -0.196 0.426 459 T N 4.052 118.606 114.554 -0.000 0.000 2.635 459 T HA -0.401 nan 4.350 nan 0.000 0.267 459 T C 2.073 176.774 174.700 0.001 0.000 1.040 459 T CA 5.056 67.156 62.100 -0.000 0.000 1.156 459 T CB -0.557 68.311 68.868 -0.000 0.000 0.863 459 T HN 0.255 8.495 8.240 -0.000 0.000 0.430 460 L N 0.732 121.955 121.223 0.001 0.000 2.012 460 L HA -0.443 nan 4.340 nan 0.000 0.210 460 L C 1.816 178.688 176.870 0.004 0.000 1.073 460 L CA 3.599 58.440 54.840 0.002 0.000 0.748 460 L CB -0.613 41.446 42.059 0.001 0.000 0.891 460 L HN 0.268 8.391 8.230 0.000 0.107 0.431 461 I N -1.263 119.309 120.570 0.003 0.000 2.194 461 I HA -0.655 nan 4.170 nan 0.000 0.246 461 I C 2.034 178.153 176.117 0.003 0.000 1.093 461 I CA 4.391 65.694 61.300 0.004 0.000 1.355 461 I CB -0.389 37.612 38.000 0.003 0.000 1.046 461 I HN 0.309 8.355 8.210 0.002 0.166 0.413 462 K N -0.252 120.149 120.400 0.001 0.000 2.062 462 K HA -0.269 nan 4.320 nan 0.000 0.205 462 K C 2.408 179.008 176.600 -0.001 0.000 1.051 462 K CA 3.339 59.625 56.287 -0.001 0.000 0.941 462 K CB 0.145 32.644 32.500 -0.002 0.000 0.719 462 K HN -0.165 8.085 8.250 0.001 0.000 0.440 463 L N 0.109 121.333 121.223 0.001 0.000 2.083 463 L HA -0.323 nan 4.340 nan 0.000 0.209 463 L C 1.530 178.403 176.870 0.005 0.000 1.083 463 L CA 2.877 57.719 54.840 0.002 0.000 0.752 463 L CB -0.548 41.514 42.059 0.005 0.000 0.899 463 L HN 0.293 8.523 8.230 0.001 0.000 0.433 464 K N -0.899 119.505 120.400 0.007 0.000 1.985 464 K HA -0.414 nan 4.320 nan 0.000 0.210 464 K C 1.950 178.555 176.600 0.009 0.000 1.047 464 K CA 3.143 59.436 56.287 0.011 0.000 0.932 464 K CB -0.287 32.220 32.500 0.011 0.000 0.716 464 K HN 0.175 8.428 8.250 0.006 0.000 0.439 465 A N -1.358 121.465 122.820 0.006 0.000 1.873 465 A HA -0.366 nan 4.320 nan 0.000 0.218 465 A C 2.282 179.866 177.584 -0.000 0.000 1.193 465 A CA 3.384 55.423 52.037 0.003 0.000 0.629 465 A CB -0.892 18.108 19.000 0.001 0.000 0.826 465 A HN -0.567 7.586 8.150 0.005 0.000 0.447 466 D N -2.140 118.257 120.400 -0.004 0.000 2.123 466 D HA -0.341 nan 4.640 nan 0.000 0.196 466 D C 2.198 178.492 176.300 -0.009 0.000 0.992 466 D CA 4.235 58.229 54.000 -0.010 0.000 0.833 466 D CB -0.177 40.613 40.800 -0.016 0.000 0.954 466 D HN -0.360 8.008 8.370 -0.003 0.000 0.455 467 D N -1.321 119.079 120.400 -0.001 0.000 2.183 467 D HA -0.171 nan 4.640 nan 0.000 0.203 467 D C 2.842 179.148 176.300 0.009 0.000 0.969 467 D CA 3.443 57.446 54.000 0.006 0.000 0.842 467 D CB 0.320 41.130 40.800 0.017 0.000 0.957 467 D HN -0.444 7.927 8.370 0.001 0.000 0.484 468 E N 1.200 121.406 120.200 0.009 0.000 2.072 468 E HA -0.233 nan 4.350 nan 0.000 0.191 468 E C 1.467 178.071 176.600 0.007 0.000 0.985 468 E CA 2.412 58.819 56.400 0.011 0.000 0.801 468 E CB 0.064 29.771 29.700 0.011 0.000 0.750 468 E HN 0.005 8.163 8.360 0.008 0.206 0.452 469 K N -4.319 116.082 120.400 0.001 0.000 2.555 469 K HA -0.140 nan 4.320 nan 0.000 0.193 469 K C 0.277 176.874 176.600 -0.004 0.000 1.032 469 K CA 0.286 56.572 56.287 -0.002 0.000 1.004 469 K CB -0.034 32.462 32.500 -0.007 0.000 0.804 469 K HN -0.069 8.181 8.250 0.000 0.000 0.496 470 G N -2.065 106.734 108.800 -0.001 0.000 2.176 470 G HA2 -0.411 nan 3.960 nan 0.000 0.232 470 G HA3 -0.411 nan 3.960 nan 0.000 0.232 470 G C -0.145 174.748 174.900 -0.012 0.000 0.986 470 G CA -0.250 44.849 45.100 -0.002 0.000 0.643 470 G HN -0.185 7.880 8.290 0.002 0.227 0.522 471 R N 2.003 122.490 120.500 -0.022 0.000 3.641 471 R HA -0.039 nan 4.340 nan 0.000 0.189 471 R C 0.790 177.063 176.300 -0.045 0.000 1.706 471 R CA -0.859 55.213 56.100 -0.047 0.000 1.311 471 R CB -1.909 28.360 30.300 -0.052 0.000 1.330 471 R HN -0.048 8.165 8.270 -0.017 0.047 0.727 472 I N 2.292 122.845 120.570 -0.028 0.000 2.091 472 I HA -0.563 nan 4.170 nan 0.000 0.240 472 I C -0.165 175.946 176.117 -0.009 0.000 1.046 472 I CA 3.624 64.936 61.300 0.021 0.000 1.306 472 I CB -0.175 37.879 38.000 0.090 0.000 1.018 472 I HN 0.047 8.194 8.210 -0.024 0.049 0.404 473 S N -4.181 111.394 115.700 -0.209 0.000 2.803 473 S HA -0.098 nan 4.470 nan 0.000 0.226 473 S C -0.612 173.869 174.600 -0.197 0.000 0.962 473 S CA 0.142 58.113 58.200 -0.383 0.000 0.968 473 S CB -0.508 62.013 63.200 -1.132 0.000 0.786 473 S HN -0.503 7.645 8.310 -0.270 0.000 0.527 474 V N 3.046 122.903 119.914 -0.095 0.000 2.405 474 V HA 0.103 nan 4.120 nan 0.000 0.264 474 V C -0.206 175.884 176.094 -0.008 0.000 1.048 474 V CA 0.694 62.959 62.300 -0.058 0.000 0.966 474 V CB -1.486 30.311 31.823 -0.044 0.000 1.015 474 V HN -0.708 7.366 8.190 -0.070 0.074 0.477 475 G N 6.261 115.063 108.800 0.003 0.000 2.938 475 G HA2 0.678 nan 3.960 nan 0.000 0.258 475 G HA3 0.678 nan 3.960 nan 0.000 0.258 475 G C -1.998 172.912 174.900 0.016 0.000 1.356 475 G CA -1.826 43.293 45.100 0.031 0.000 1.052 475 G HN 0.248 8.529 8.290 -0.014 0.000 0.550 476 V N -0.836 119.090 119.914 0.020 0.000 2.387 476 V HA -0.056 nan 4.120 nan 0.000 0.260 476 V C -0.487 175.613 176.094 0.010 0.000 1.054 476 V CA 0.167 62.474 62.300 0.011 0.000 0.967 476 V CB -0.892 30.938 31.823 0.011 0.000 1.036 476 V HN 0.391 8.486 8.190 0.029 0.112 0.481 477 D N 8.258 128.660 120.400 0.004 0.000 2.468 477 D HA 0.212 nan 4.640 nan 0.000 0.218 477 D C 1.043 177.344 176.300 0.002 0.000 1.155 477 D CA -1.607 52.394 54.000 0.002 0.000 0.924 477 D CB -0.005 40.792 40.800 -0.005 0.000 1.029 477 D HN 0.094 8.288 8.370 0.001 0.176 0.515 478 L N 0.868 122.093 121.223 0.004 0.000 2.079 478 L HA -0.228 nan 4.340 nan 0.000 0.210 478 L C 0.436 177.307 176.870 0.001 0.000 1.081 478 L CA 2.656 57.498 54.840 0.003 0.000 0.752 478 L CB -0.355 41.706 42.059 0.004 0.000 0.896 478 L HN -0.244 7.990 8.230 0.007 0.000 0.433 479 D N -0.940 119.461 120.400 0.001 0.000 2.077 479 D HA -0.087 nan 4.640 nan 0.000 0.196 479 D C 1.141 177.440 176.300 -0.002 0.000 0.986 479 D CA 2.250 56.250 54.000 0.000 0.000 0.829 479 D CB -0.342 40.458 40.800 0.000 0.000 0.983 479 D HN -0.309 8.149 8.370 0.002 -0.087 0.453 480 N N -3.244 115.454 118.700 -0.003 0.000 2.573 480 N HA -0.145 nan 4.740 nan 0.000 0.187 480 N C -0.616 174.891 175.510 -0.004 0.000 1.107 480 N CA 0.778 53.825 53.050 -0.005 0.000 0.918 480 N CB 0.598 39.080 38.487 -0.008 0.000 0.966 480 N HN -0.474 8.248 8.380 -0.003 -0.344 0.448 481 N N -1.818 116.880 118.700 -0.003 0.000 2.726 481 N HA -0.342 nan 4.740 nan 0.000 0.253 481 N C -1.287 174.222 175.510 -0.002 0.000 1.059 481 N CA 0.861 53.910 53.050 -0.002 0.000 0.701 481 N CB -1.069 37.417 38.487 -0.002 0.000 0.899 481 N HN -0.335 7.912 8.380 -0.002 0.132 0.548 482 G N -3.373 105.426 108.800 -0.002 0.000 2.341 482 G HA2 -0.083 nan 3.960 nan 0.000 0.059 482 G HA3 -0.083 nan 3.960 nan 0.000 0.059 482 G C -2.586 172.312 174.900 -0.003 0.000 0.897 482 G CA 0.185 45.283 45.100 -0.002 0.000 1.142 482 G HN 0.221 8.393 8.290 -0.001 0.117 0.433 483 V N -0.511 119.400 119.914 -0.005 0.000 3.096 483 V HA 0.858 nan 4.120 nan 0.000 0.319 483 V C -0.819 175.267 176.094 -0.012 0.000 1.082 483 V CA -3.312 58.984 62.300 -0.007 0.000 1.022 483 V CB 2.303 34.121 31.823 -0.008 0.000 1.103 483 V HN 0.150 8.336 8.190 -0.006 0.000 0.455 484 G N -0.197 108.592 108.800 -0.018 0.000 2.441 484 G HA2 0.111 nan 3.960 nan 0.000 0.294 484 G HA3 0.111 nan 3.960 nan 0.000 0.294 484 G C -2.909 171.963 174.900 -0.047 0.000 1.393 484 G CA 0.278 45.361 45.100 -0.028 0.000 0.796 484 G HN 0.170 8.450 8.290 -0.016 0.000 0.494 485 D N 0.773 121.133 120.400 -0.066 0.000 2.441 485 D HA 0.410 nan 4.640 nan 0.000 0.221 485 D C 1.311 177.540 176.300 -0.117 0.000 1.156 485 D CA -1.951 51.979 54.000 -0.117 0.000 0.896 485 D CB -0.067 40.652 40.800 -0.135 0.000 1.028 485 D HN 0.272 8.609 8.370 -0.056 0.000 0.509 486 M N 5.515 125.052 119.600 -0.105 0.000 2.346 486 M HA -0.415 nan 4.480 nan 0.000 0.263 486 M C 1.890 178.158 176.300 -0.055 0.000 1.064 486 M CA 1.531 56.827 55.300 -0.008 0.000 1.083 486 M CB -1.216 31.463 32.600 0.132 0.000 1.399 486 M HN 0.563 8.786 8.290 -0.111 0.000 0.435 487 K N 0.291 120.429 120.400 -0.437 0.000 2.032 487 K HA -0.377 nan 4.320 nan 0.000 0.209 487 K C 1.251 177.772 176.600 -0.131 0.000 1.048 487 K CA 3.207 59.117 56.287 -0.628 0.000 0.927 487 K CB -0.364 31.685 32.500 -0.752 0.000 0.712 487 K HN -0.312 7.827 8.250 -0.513 -0.197 0.441 488 A N -1.982 120.768 122.820 -0.118 0.000 1.841 488 A HA -0.123 nan 4.320 nan 0.000 0.214 488 A C 1.706 179.288 177.584 -0.003 0.000 1.195 488 A CA 2.530 54.541 52.037 -0.045 0.000 0.611 488 A CB -0.536 18.432 19.000 -0.053 0.000 0.835 488 A HN -0.641 7.409 8.150 -0.168 0.000 0.443 489 K N -3.714 116.686 120.400 -0.001 0.000 2.442 489 K HA -0.210 nan 4.320 nan 0.000 0.198 489 K C 0.787 177.413 176.600 0.044 0.000 1.044 489 K CA 0.719 57.017 56.287 0.019 0.000 0.948 489 K CB 0.217 32.728 32.500 0.018 0.000 0.762 489 K HN -0.566 7.670 8.250 -0.022 0.000 0.472 490 G N -1.699 107.152 108.800 0.086 0.000 2.221 490 G HA2 -0.316 nan 3.960 nan 0.000 0.265 490 G HA3 -0.316 nan 3.960 nan 0.000 0.265 490 G C -0.552 174.407 174.900 0.097 0.000 1.041 490 G CA 0.028 45.196 45.100 0.114 0.000 0.807 490 G HN -0.405 7.767 8.290 0.087 0.170 0.502 491 V N -4.203 115.800 119.914 0.148 0.000 2.372 491 V HA 0.380 nan 4.120 nan 0.000 0.261 491 V C -0.975 175.203 176.094 0.140 0.000 1.055 491 V CA -1.668 60.696 62.300 0.106 0.000 0.930 491 V CB -0.859 31.020 31.823 0.094 0.000 1.031 491 V HN -0.583 7.718 8.190 0.187 0.000 0.479 492 V N 1.862 121.770 119.914 -0.010 0.000 2.531 492 V HA 0.609 nan 4.120 nan 0.000 0.301 492 V C -0.868 175.178 176.094 -0.081 0.000 1.034 492 V CA -2.103 60.127 62.300 -0.117 0.000 0.865 492 V CB 1.821 33.363 31.823 -0.469 0.000 0.995 492 V HN -0.412 7.751 8.190 -0.045 0.000 0.424 493 D N 6.726 127.110 120.400 -0.026 0.000 2.249 493 D HA 0.523 nan 4.640 nan 0.000 0.246 493 D C -1.306 174.993 176.300 -0.001 0.000 1.114 493 D CA -3.013 50.980 54.000 -0.012 0.000 0.854 493 D CB 1.266 42.069 40.800 0.005 0.000 1.132 493 D HN 0.267 8.523 8.370 -0.012 0.108 0.461 494 P HA 0.026 nan 4.420 nan 0.000 0.269 494 P C 0.011 177.309 177.300 -0.003 0.000 1.209 494 P CA -0.138 62.969 63.100 0.012 0.000 0.776 494 P CB 1.071 32.770 31.700 -0.001 0.000 0.876 495 L N 3.073 124.289 121.223 -0.012 0.000 1.961 495 L HA -0.357 nan 4.340 nan 0.000 0.210 495 L C 1.797 178.633 176.870 -0.056 0.000 1.072 495 L CA 3.441 58.253 54.840 -0.046 0.000 0.749 495 L CB 0.021 42.041 42.059 -0.065 0.000 0.889 495 L HN -0.020 8.213 8.230 0.006 0.000 0.432 496 R N -1.529 118.943 120.500 -0.047 0.000 2.153 496 R HA -0.456 nan 4.340 nan 0.000 0.252 496 R C 2.358 178.639 176.300 -0.032 0.000 1.158 496 R CA 3.624 59.691 56.100 -0.055 0.000 0.975 496 R CB -0.386 29.927 30.300 0.021 0.000 0.871 496 R HN -0.201 8.051 8.270 -0.030 0.000 0.450 497 V N -1.215 118.702 119.914 0.005 0.000 2.307 497 V HA -0.318 nan 4.120 nan 0.000 0.245 497 V C 2.289 178.385 176.094 0.003 0.000 1.045 497 V CA 4.283 66.599 62.300 0.027 0.000 1.024 497 V CB -0.775 31.059 31.823 0.018 0.000 0.651 497 V HN -0.151 8.014 8.190 0.000 0.025 0.449 498 K N -0.715 119.671 120.400 -0.023 0.000 2.009 498 K HA -0.333 nan 4.320 nan 0.000 0.210 498 K C 2.191 178.765 176.600 -0.043 0.000 1.049 498 K CA 3.024 59.294 56.287 -0.027 0.000 0.929 498 K CB -0.923 31.558 32.500 -0.032 0.000 0.714 498 K HN -0.158 8.076 8.250 -0.026 0.000 0.440 499 T N -1.583 112.912 114.554 -0.098 0.000 2.652 499 T HA -0.290 nan 4.350 nan 0.000 0.267 499 T C 2.291 176.891 174.700 -0.167 0.000 1.039 499 T CA 4.533 66.539 62.100 -0.156 0.000 1.153 499 T CB -0.808 67.911 68.868 -0.250 0.000 0.863 499 T HN -0.183 7.995 8.240 -0.104 0.000 0.428 500 H N 2.320 121.391 119.070 0.003 0.000 2.421 500 H HA -0.198 nan 4.556 nan 0.000 0.298 500 H C 2.023 177.355 175.328 0.006 0.000 1.087 500 H CA 2.380 58.430 56.048 0.004 0.000 1.330 500 H CB -0.539 29.224 29.762 0.001 0.000 1.388 500 H HN -0.188 7.935 8.280 -0.263 0.000 0.526 501 A N 0.040 122.911 122.820 0.085 0.000 1.858 501 A HA -0.291 nan 4.320 nan 0.000 0.216 501 A C 2.166 179.772 177.584 0.036 0.000 1.190 501 A CA 3.372 55.438 52.037 0.047 0.000 0.617 501 A CB -0.781 18.229 19.000 0.017 0.000 0.827 501 A HN 0.083 8.265 8.150 0.060 0.003 0.443 502 L N -1.958 119.283 121.223 0.030 0.000 1.989 502 L HA -0.501 nan 4.340 nan 0.000 0.211 502 L C 2.348 179.271 176.870 0.088 0.000 1.071 502 L CA 3.164 58.040 54.840 0.059 0.000 0.749 502 L CB -0.497 41.611 42.059 0.082 0.000 0.890 502 L HN 0.342 8.581 8.230 0.015 0.000 0.431 503 E N -1.193 119.051 120.200 0.073 0.000 2.058 503 E HA -0.377 nan 4.350 nan 0.000 0.194 503 E C 2.544 179.202 176.600 0.096 0.000 0.997 503 E CA 2.842 59.294 56.400 0.088 0.000 0.801 503 E CB -0.476 29.277 29.700 0.090 0.000 0.746 503 E HN 0.450 8.730 8.360 0.046 0.107 0.450 504 S N 0.208 115.968 115.700 0.100 0.000 2.359 504 S HA -0.379 nan 4.470 nan 0.000 0.224 504 S C 2.205 176.840 174.600 0.058 0.000 1.035 504 S CA 3.763 62.007 58.200 0.074 0.000 1.018 504 S CB -0.304 62.934 63.200 0.063 0.000 0.876 504 S HN 0.247 8.512 8.310 0.117 0.115 0.448 505 A N 1.403 124.252 122.820 0.048 0.000 1.883 505 A HA -0.278 nan 4.320 nan 0.000 0.217 505 A C 2.167 179.788 177.584 0.063 0.000 1.186 505 A CA 3.282 55.337 52.037 0.029 0.000 0.624 505 A CB -0.733 18.259 19.000 -0.014 0.000 0.822 505 A HN 0.099 8.278 8.150 0.048 0.000 0.444 506 V N -1.266 118.711 119.914 0.105 0.000 2.295 506 V HA -0.553 nan 4.120 nan 0.000 0.246 506 V C 2.348 178.529 176.094 0.144 0.000 1.049 506 V CA 4.629 67.028 62.300 0.165 0.000 1.024 506 V CB -1.220 30.719 31.823 0.194 0.000 0.648 506 V HN 0.056 8.310 8.190 0.106 0.000 0.447 507 E N -0.587 119.676 120.200 0.104 0.000 2.058 507 E HA -0.429 nan 4.350 nan 0.000 0.194 507 E C 2.524 179.169 176.600 0.075 0.000 0.997 507 E CA 3.557 60.007 56.400 0.083 0.000 0.801 507 E CB -0.224 29.515 29.700 0.065 0.000 0.746 507 E HN -0.224 8.193 8.360 0.096 0.000 0.450 508 V N -0.631 119.322 119.914 0.065 0.000 2.453 508 V HA -0.282 nan 4.120 nan 0.000 0.247 508 V C 1.890 178.023 176.094 0.065 0.000 1.048 508 V CA 3.906 66.237 62.300 0.052 0.000 1.049 508 V CB -1.080 30.764 31.823 0.035 0.000 0.672 508 V HN -0.237 7.991 8.190 0.063 0.000 0.457 509 A N -0.990 121.885 122.820 0.092 0.000 1.877 509 A HA -0.346 nan 4.320 nan 0.000 0.216 509 A C 1.988 179.656 177.584 0.139 0.000 1.186 509 A CA 3.696 55.810 52.037 0.127 0.000 0.620 509 A CB -0.797 18.317 19.000 0.190 0.000 0.822 509 A HN 0.474 8.575 8.150 0.094 0.105 0.443 510 T N 1.839 116.482 114.554 0.149 0.000 2.684 510 T HA -0.396 nan 4.350 nan 0.000 0.267 510 T C 1.666 176.403 174.700 0.063 0.000 1.036 510 T CA 4.783 66.947 62.100 0.106 0.000 1.148 510 T CB -0.427 68.503 68.868 0.102 0.000 0.863 510 T HN 0.008 8.348 8.240 0.166 0.000 0.436 511 M N 1.889 121.524 119.600 0.058 0.000 2.088 511 M HA -0.501 nan 4.480 nan 0.000 0.256 511 M C 1.808 178.127 176.300 0.032 0.000 1.071 511 M CA 4.176 59.500 55.300 0.040 0.000 1.097 511 M CB -0.039 32.583 32.600 0.037 0.000 1.315 511 M HN -0.486 7.844 8.290 0.067 0.000 0.406 512 I N -1.931 118.659 120.570 0.033 0.000 2.315 512 I HA -0.400 nan 4.170 nan 0.000 0.248 512 I C 2.404 178.531 176.117 0.017 0.000 1.117 512 I CA 2.975 64.288 61.300 0.022 0.000 1.404 512 I CB -0.077 37.933 38.000 0.017 0.000 1.071 512 I HN -0.638 7.597 8.210 0.042 0.000 0.419 513 L N -0.575 120.662 121.223 0.023 0.000 2.131 513 L HA -0.260 nan 4.340 nan 0.000 0.210 513 L C 1.596 178.455 176.870 -0.019 0.000 1.092 513 L CA 2.491 57.332 54.840 0.002 0.000 0.759 513 L CB -0.513 41.547 42.059 0.002 0.000 0.903 513 L HN -0.303 7.870 8.230 0.041 0.081 0.435 514 R N -3.902 116.596 120.500 -0.003 0.000 2.200 514 R HA -0.120 nan 4.340 nan 0.000 0.208 514 R C 0.441 176.737 176.300 -0.006 0.000 1.033 514 R CA 0.863 56.959 56.100 -0.006 0.000 1.000 514 R CB 0.437 30.746 30.300 0.015 0.000 0.906 514 R HN -0.665 7.593 8.270 0.011 0.019 0.462 515 I N 1.843 122.413 120.570 0.001 0.000 2.576 515 I HA -0.342 nan 4.170 nan 0.000 0.288 515 I C -0.437 175.678 176.117 -0.003 0.000 1.126 515 I CA 1.452 62.756 61.300 0.006 0.000 1.362 515 I CB -0.675 37.334 38.000 0.016 0.000 1.419 515 I HN -0.834 7.245 8.210 0.005 0.135 0.533 516 D N 5.293 125.689 120.400 -0.006 0.000 2.379 516 D HA -0.037 nan 4.640 nan 0.000 0.208 516 D C -1.359 174.940 176.300 -0.002 0.000 1.065 516 D CA -0.058 53.934 54.000 -0.014 0.000 0.848 516 D CB 1.704 42.489 40.800 -0.025 0.000 0.949 516 D HN -0.172 8.197 8.370 -0.001 0.000 0.509 517 D N -1.754 118.649 120.400 0.006 0.000 2.764 517 D HA 0.079 nan 4.640 nan 0.000 0.227 517 D C -1.902 174.407 176.300 0.015 0.000 1.347 517 D CA -0.587 53.419 54.000 0.010 0.000 0.953 517 D CB 2.560 43.364 40.800 0.007 0.000 1.476 517 D HN -0.717 7.610 8.370 0.008 0.048 0.585 518 V N 6.772 126.698 119.914 0.020 0.000 2.417 518 V HA 0.619 nan 4.120 nan 0.000 0.291 518 V C -2.199 173.902 176.094 0.012 0.000 1.024 518 V CA -2.003 60.311 62.300 0.024 0.000 0.861 518 V CB 2.273 34.123 31.823 0.044 0.000 0.985 518 V HN 0.654 8.855 8.190 0.018 0.000 0.436 519 I N 0.000 120.576 120.570 0.009 0.000 2.984 519 I HA 0.000 nan 4.170 nan 0.000 0.288 519 I CA 0.000 61.301 61.300 0.002 0.000 1.566 519 I CB 0.000 38.002 38.000 0.004 0.000 1.214 519 I HN 0.000 8.218 8.210 0.013 0.000 0.494