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 1ig8_1_A DATA FIRST_RESID 18 DATA SEQUENCE DVPKELMQQI ENFEKIFTVP TETLQAVTKH FISELEKGLS KKGGNIPMIP DATA SEQUENCE GWVMDFPTGK ESGDFLAIDL GGTNLRVVLV KLGGDRTFDT TQSKYRLPDA DATA SEQUENCE MRTTQNPDEL WEFIADSLKA FIDEQFPQGI SEPIPLGFTF SFPASQNKIN DATA SEQUENCE EGILQRWTKG FDIPNIENHD VVPMLQKQIT KRNIPIEVVA LINDTTGTLV DATA SEQUENCE ASYYTDPETK MGVIFGTGVN GAYYDVCSDI EKLQGKLSDD IPPSAPMAIN DATA SEQUENCE CEYGSFDNEH VVLPRTKYDI TIDEESPRPG QQTFEKMSSG YYLGEILRLA DATA SEQUENCE LMDMYKQGFI FKNQDLSKFD KPFVMDTSYP ARIEEDPFEN LEDTDDLFQN DATA SEQUENCE EFGINTTVQE RKLIRRLSEL IGARAARLSV CGIAAICQKR GYKTGHIAAD DATA SEQUENCE GSVYNRYPGF KEKAANALKD IYGWTQTSLD DYPIKIVPAE DGSGAGAAVI DATA SEQUENCE AALAQKRIAE GKSVGIIGA 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 18 D HA 0.000 nan 4.640 nan 0.000 0.175 18 D C 0.000 176.301 176.300 0.001 0.000 2.045 18 D CA 0.000 54.002 54.000 0.004 0.000 0.868 18 D CB 0.000 40.803 40.800 0.004 0.000 0.688 19 V N 4.862 124.775 119.914 -0.002 0.000 2.703 19 V HA 0.007 4.126 4.120 -0.001 0.000 0.300 19 V C -1.767 174.322 176.094 -0.007 0.000 1.063 19 V CA -0.128 62.168 62.300 -0.007 0.000 1.240 19 V CB -0.676 31.140 31.823 -0.013 0.000 0.845 19 V HN 0.145 nan 8.190 nan 0.000 0.476 20 P HA 0.075 nan 4.420 nan 0.000 0.270 20 P C 0.867 178.158 177.300 -0.015 0.000 1.227 20 P CA -0.373 62.725 63.100 -0.002 0.000 0.788 20 P CB 0.629 32.334 31.700 0.009 0.000 0.926 21 K N 1.077 121.471 120.400 -0.011 0.000 2.097 21 K HA -0.209 4.110 4.320 -0.001 0.000 0.206 21 K C 1.734 178.310 176.600 -0.040 0.000 1.049 21 K CA 1.827 58.102 56.287 -0.020 0.000 0.933 21 K CB -0.010 32.485 32.500 -0.008 0.000 0.717 21 K HN 0.569 nan 8.250 nan 0.000 0.442 22 E N 0.454 120.636 120.200 -0.029 0.000 2.072 22 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 22 E C 2.046 178.511 176.600 -0.226 0.000 0.985 22 E CA 1.031 57.391 56.400 -0.066 0.000 0.801 22 E CB -0.410 29.334 29.700 0.074 0.000 0.750 22 E HN 0.267 nan 8.360 nan 0.000 0.452 23 L N -0.293 120.835 121.223 -0.158 0.000 2.141 23 L HA -0.080 4.260 4.340 -0.001 0.000 0.209 23 L C 2.609 179.394 176.870 -0.141 0.000 1.094 23 L CA 0.756 55.486 54.840 -0.184 0.000 0.763 23 L CB -0.220 41.787 42.059 -0.087 0.000 0.908 23 L HN 0.227 nan 8.230 nan 0.000 0.437 24 M N -0.279 119.264 119.600 -0.095 0.000 2.175 24 M HA -0.219 4.260 4.480 -0.001 0.000 0.264 24 M C 2.204 178.458 176.300 -0.077 0.000 1.063 24 M CA 1.691 56.954 55.300 -0.062 0.000 1.119 24 M CB -0.389 32.187 32.600 -0.040 0.000 1.377 24 M HN 0.148 nan 8.290 nan 0.000 0.415 25 Q N -0.926 118.806 119.800 -0.114 0.000 2.167 25 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 25 Q C 1.779 177.670 176.000 -0.182 0.000 0.970 25 Q CA 1.124 56.851 55.803 -0.126 0.000 0.855 25 Q CB 0.090 28.750 28.738 -0.130 0.000 0.911 25 Q HN 0.491 nan 8.270 nan 0.000 0.438 26 Q N 0.108 119.750 119.800 -0.264 0.000 2.172 26 Q HA -0.053 4.287 4.340 -0.001 0.000 0.200 26 Q C 2.048 177.995 176.000 -0.089 0.000 0.964 26 Q CA 0.838 56.462 55.803 -0.298 0.000 0.855 26 Q CB 0.003 28.468 28.738 -0.455 0.000 0.918 26 Q HN 0.503 nan 8.270 nan 0.000 0.444 27 I N 0.687 121.262 120.570 0.007 0.000 2.315 27 I HA -0.233 3.936 4.170 -0.001 0.000 0.248 27 I C 1.959 178.136 176.117 0.100 0.000 1.117 27 I CA 1.048 62.425 61.300 0.129 0.000 1.404 27 I CB -0.098 37.942 38.000 0.067 0.000 1.071 27 I HN 0.213 nan 8.210 nan 0.000 0.419 28 E N 0.690 120.897 120.200 0.012 0.000 2.106 28 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 28 E C 1.851 178.440 176.600 -0.019 0.000 0.984 28 E CA 0.852 57.254 56.400 0.004 0.000 0.806 28 E CB -0.009 29.678 29.700 -0.021 0.000 0.750 28 E HN 0.430 nan 8.360 nan 0.000 0.458 29 N N 0.329 118.971 118.700 -0.098 0.000 2.120 29 N HA -0.141 4.599 4.740 -0.001 0.000 0.188 29 N C 1.452 176.886 175.510 -0.127 0.000 1.024 29 N CA 0.973 53.922 53.050 -0.169 0.000 0.852 29 N CB -0.321 37.976 38.487 -0.317 0.000 1.003 29 N HN 0.104 nan 8.380 nan 0.000 0.424 30 F N 1.770 121.735 119.950 0.024 0.000 2.293 30 F HA -0.021 4.505 4.527 -0.001 0.000 0.300 30 F C 2.215 178.092 175.800 0.129 0.000 1.086 30 F CA 0.619 58.678 58.000 0.098 0.000 1.375 30 F CB -0.386 38.714 39.000 0.167 0.000 1.045 30 F HN 0.121 nan 8.300 nan 0.000 0.516 31 E N -0.219 120.128 120.200 0.245 0.000 2.110 31 E HA -0.244 4.105 4.350 -0.001 0.000 0.193 31 E C 2.082 178.752 176.600 0.116 0.000 0.988 31 E CA 1.144 57.649 56.400 0.175 0.000 0.804 31 E CB -0.090 29.675 29.700 0.108 0.000 0.745 31 E HN 0.074 nan 8.360 nan 0.000 0.458 32 K N 1.404 121.838 120.400 0.056 0.000 2.103 32 K HA -0.068 4.251 4.320 -0.001 0.000 0.204 32 K C 1.694 178.279 176.600 -0.026 0.000 1.052 32 K CA 1.002 57.294 56.287 0.007 0.000 0.945 32 K CB -0.228 32.257 32.500 -0.026 0.000 0.722 32 K HN 0.086 nan 8.250 nan 0.000 0.443 33 I N -0.481 120.044 120.570 -0.075 0.000 2.202 33 I HA -0.176 3.993 4.170 -0.001 0.000 0.242 33 I C 1.188 177.141 176.117 -0.274 0.000 1.091 33 I CA 1.110 62.266 61.300 -0.240 0.000 1.368 33 I CB -0.106 37.669 38.000 -0.375 0.000 1.058 33 I HN 0.025 nan 8.210 nan 0.000 0.410 34 F N 0.068 120.101 119.950 0.137 0.000 2.721 34 F HA 0.128 4.654 4.527 -0.001 0.000 0.301 34 F C 1.100 176.941 175.800 0.069 0.000 1.096 34 F CA 0.022 58.084 58.000 0.104 0.000 1.308 34 F CB -0.382 38.675 39.000 0.094 0.000 1.086 34 F HN -0.202 nan 8.300 nan 0.000 0.587 35 T N 1.626 116.296 114.554 0.194 0.000 2.832 35 T HA 0.381 4.731 4.350 -0.001 0.000 0.296 35 T C -0.020 174.736 174.700 0.094 0.000 0.968 35 T CA -0.092 62.085 62.100 0.128 0.000 1.107 35 T CB 1.546 70.467 68.868 0.089 0.000 0.916 35 T HN -0.301 nan 8.240 nan 0.000 0.517 36 V N 7.642 127.605 119.914 0.083 0.000 2.284 36 V HA 0.290 4.409 4.120 -0.001 0.000 0.274 36 V C -1.865 174.253 176.094 0.040 0.000 1.023 36 V CA -1.804 60.534 62.300 0.063 0.000 0.808 36 V CB 0.758 32.628 31.823 0.078 0.000 1.035 36 V HN 0.738 nan 8.190 nan 0.000 0.445 37 P HA 0.183 nan 4.420 nan 0.000 0.273 37 P C 1.161 178.462 177.300 0.001 0.000 1.250 37 P CA -0.108 63.000 63.100 0.013 0.000 0.793 37 P CB 0.714 32.419 31.700 0.010 0.000 1.011 38 T N 0.159 114.705 114.554 -0.013 0.000 2.685 38 T HA -0.227 4.122 4.350 -0.001 0.000 0.268 38 T C 1.589 176.267 174.700 -0.036 0.000 1.034 38 T CA 2.281 64.360 62.100 -0.034 0.000 1.149 38 T CB -0.609 68.232 68.868 -0.044 0.000 0.860 38 T HN 0.709 nan 8.240 nan 0.000 0.449 39 E N 0.646 120.831 120.200 -0.024 0.000 2.153 39 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 39 E C 1.992 178.586 176.600 -0.011 0.000 0.988 39 E CA 1.601 57.987 56.400 -0.023 0.000 0.811 39 E CB -0.597 29.093 29.700 -0.017 0.000 0.746 39 E HN 0.312 nan 8.360 nan 0.000 0.466 40 T N 1.436 115.991 114.554 0.001 0.000 2.777 40 T HA -0.030 4.319 4.350 -0.001 0.000 0.266 40 T C 1.832 176.549 174.700 0.029 0.000 1.040 40 T CA 1.218 63.330 62.100 0.020 0.000 1.141 40 T CB -0.206 68.681 68.868 0.031 0.000 0.868 40 T HN 0.134 nan 8.240 nan 0.000 0.444 41 L N 0.831 122.062 121.223 0.014 0.000 2.042 41 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 41 L C 2.829 179.683 176.870 -0.026 0.000 1.076 41 L CA 1.572 56.415 54.840 0.004 0.000 0.749 41 L CB -0.681 41.361 42.059 -0.028 0.000 0.893 41 L HN 0.338 nan 8.230 nan 0.000 0.432 42 Q N -0.446 119.322 119.800 -0.054 0.000 2.167 42 Q HA -0.129 4.210 4.340 -0.001 0.000 0.202 42 Q C 2.384 178.365 176.000 -0.031 0.000 0.970 42 Q CA 1.363 57.119 55.803 -0.078 0.000 0.855 42 Q CB -0.161 28.522 28.738 -0.091 0.000 0.911 42 Q HN 0.564 nan 8.270 nan 0.000 0.438 43 A N 0.149 122.972 122.820 0.005 0.000 1.930 43 A HA -0.071 4.248 4.320 -0.001 0.000 0.215 43 A C 2.289 179.934 177.584 0.101 0.000 1.176 43 A CA 0.772 52.831 52.037 0.037 0.000 0.632 43 A CB -0.462 18.553 19.000 0.025 0.000 0.819 43 A HN 0.179 nan 8.150 nan 0.000 0.445 44 V N -0.050 119.937 119.914 0.122 0.000 2.287 44 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 44 V C 2.766 178.994 176.094 0.223 0.000 1.053 44 V CA 2.586 65.029 62.300 0.238 0.000 1.027 44 V CB -1.285 30.690 31.823 0.253 0.000 0.646 44 V HN 0.592 nan 8.190 nan 0.000 0.447 45 T N -0.537 114.060 114.554 0.072 0.000 2.684 45 T HA -0.267 4.082 4.350 -0.001 0.000 0.267 45 T C 1.993 176.684 174.700 -0.015 0.000 1.036 45 T CA 1.992 64.068 62.100 -0.041 0.000 1.148 45 T CB -0.254 68.523 68.868 -0.152 0.000 0.863 45 T HN 0.345 nan 8.240 nan 0.000 0.436 46 K N 0.369 120.776 120.400 0.012 0.000 2.074 46 K HA -0.194 4.126 4.320 -0.001 0.000 0.209 46 K C 2.154 178.816 176.600 0.104 0.000 1.048 46 K CA 1.645 57.948 56.287 0.028 0.000 0.926 46 K CB -0.367 32.152 32.500 0.031 0.000 0.713 46 K HN 0.445 nan 8.250 nan 0.000 0.444 47 H N -1.310 117.816 119.070 0.094 0.000 2.428 47 H HA -0.035 4.520 4.556 -0.001 0.000 0.296 47 H C 1.559 177.010 175.328 0.205 0.000 1.062 47 H CA 1.595 57.734 56.048 0.153 0.000 1.350 47 H CB -0.275 29.601 29.762 0.190 0.000 1.403 47 H HN 0.225 nan 8.280 nan 0.000 0.533 48 F N 0.484 120.332 119.950 -0.169 0.000 2.171 48 F HA -0.116 4.410 4.527 -0.001 0.000 0.300 48 F C 2.123 177.674 175.800 -0.415 0.000 1.090 48 F CA 1.203 58.791 58.000 -0.686 0.000 1.293 48 F CB -0.519 37.861 39.000 -1.033 0.000 1.013 48 F HN 0.203 nan 8.300 nan 0.000 0.486 49 I N -1.110 119.433 120.570 -0.045 0.000 2.252 49 I HA -0.305 3.865 4.170 -0.001 0.000 0.245 49 I C 2.378 178.463 176.117 -0.054 0.000 1.102 49 I CA 1.320 62.576 61.300 -0.074 0.000 1.385 49 I CB -0.645 37.304 38.000 -0.086 0.000 1.064 49 I HN -0.052 nan 8.210 nan 0.000 0.414 50 S N 0.391 116.057 115.700 -0.056 0.000 2.370 50 S HA -0.178 4.291 4.470 -0.001 0.000 0.226 50 S C 1.897 176.452 174.600 -0.075 0.000 1.033 50 S CA 1.189 59.356 58.200 -0.054 0.000 1.011 50 S CB -0.286 62.898 63.200 -0.028 0.000 0.852 50 S HN 0.420 nan 8.310 nan 0.000 0.457 51 E N 1.295 121.413 120.200 -0.137 0.000 2.110 51 E HA -0.045 4.304 4.350 -0.001 0.000 0.193 51 E C 2.112 178.707 176.600 -0.008 0.000 0.988 51 E CA 0.592 56.938 56.400 -0.091 0.000 0.804 51 E CB -0.442 29.198 29.700 -0.101 0.000 0.745 51 E HN 0.482 nan 8.360 nan 0.000 0.458 52 L N 0.866 122.100 121.223 0.019 0.000 2.017 52 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 52 L C 2.363 179.256 176.870 0.039 0.000 1.073 52 L CA 1.427 56.302 54.840 0.059 0.000 0.745 52 L CB -0.457 41.622 42.059 0.032 0.000 0.894 52 L HN 0.108 nan 8.230 nan 0.000 0.432 53 E N 0.068 120.275 120.200 0.011 0.000 2.110 53 E HA -0.263 4.087 4.350 -0.001 0.000 0.193 53 E C 2.091 178.698 176.600 0.011 0.000 0.988 53 E CA 0.995 57.402 56.400 0.012 0.000 0.804 53 E CB -0.112 29.588 29.700 -0.001 0.000 0.745 53 E HN 0.376 nan 8.360 nan 0.000 0.458 54 K N 0.986 121.389 120.400 0.005 0.000 2.148 54 K HA -0.085 4.234 4.320 -0.001 0.000 0.204 54 K C 2.135 178.743 176.600 0.012 0.000 1.050 54 K CA 1.239 57.530 56.287 0.006 0.000 0.942 54 K CB -0.138 32.362 32.500 -0.001 0.000 0.724 54 K HN 0.146 nan 8.250 nan 0.000 0.446 55 G N 1.081 109.893 108.800 0.021 0.000 2.443 55 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.219 55 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.219 55 G C 1.350 176.261 174.900 0.018 0.000 1.131 55 G CA 0.268 45.384 45.100 0.026 0.000 0.775 55 G HN 0.221 nan 8.290 nan 0.000 0.547 56 L N 1.509 122.743 121.223 0.020 0.000 2.492 56 L HA 0.139 4.479 4.340 -0.001 0.000 0.223 56 L C 1.804 178.677 176.870 0.005 0.000 1.132 56 L CA 0.032 54.876 54.840 0.008 0.000 0.850 56 L CB -0.177 41.893 42.059 0.017 0.000 0.966 56 L HN 0.278 nan 8.230 nan 0.000 0.454 57 S N -0.761 114.944 115.700 0.009 0.000 2.614 57 S HA 0.133 4.602 4.470 -0.001 0.000 0.265 57 S C 1.031 175.636 174.600 0.008 0.000 1.303 57 S CA -0.679 57.526 58.200 0.008 0.000 1.000 57 S CB 1.211 64.416 63.200 0.009 0.000 0.935 57 S HN 0.101 nan 8.310 nan 0.000 0.551 58 K N 1.122 121.527 120.400 0.009 0.000 2.103 58 K HA -0.117 4.203 4.320 -0.001 0.000 0.207 58 K C 2.020 178.625 176.600 0.009 0.000 1.048 58 K CA 1.459 57.752 56.287 0.010 0.000 0.930 58 K CB -0.207 32.299 32.500 0.010 0.000 0.716 58 K HN 0.635 nan 8.250 nan 0.000 0.444 59 K N 0.496 120.901 120.400 0.008 0.000 2.217 59 K HA 0.044 4.363 4.320 -0.001 0.000 0.202 59 K C 1.138 177.743 176.600 0.008 0.000 1.051 59 K CA 1.096 57.388 56.287 0.007 0.000 0.952 59 K CB -0.571 31.933 32.500 0.006 0.000 0.736 59 K HN 0.252 nan 8.250 nan 0.000 0.453 60 G N 0.263 109.068 108.800 0.009 0.000 2.760 60 G HA2 0.096 4.055 3.960 -0.001 0.000 0.246 60 G HA3 0.096 4.055 3.960 -0.001 0.000 0.246 60 G C -0.056 174.849 174.900 0.009 0.000 1.359 60 G CA -0.319 44.786 45.100 0.010 0.000 0.861 60 G HN 0.725 nan 8.290 nan 0.000 0.541 61 G N -1.938 106.868 108.800 0.011 0.000 2.554 61 G HA2 0.582 4.542 3.960 -0.001 0.000 0.306 61 G HA3 0.582 4.542 3.960 -0.001 0.000 0.306 61 G C 0.481 175.387 174.900 0.011 0.000 1.320 61 G CA 0.652 45.757 45.100 0.008 0.000 0.800 61 G HN 0.831 nan 8.290 nan 0.000 0.481 62 N N -0.681 118.021 118.700 0.004 0.000 2.223 62 N HA -0.025 4.715 4.740 -0.001 0.000 0.185 62 N C 0.959 176.492 175.510 0.038 0.000 1.016 62 N CA 0.768 53.822 53.050 0.007 0.000 0.863 62 N CB -0.055 38.419 38.487 -0.021 0.000 0.983 62 N HN 0.422 nan 8.380 nan 0.000 0.429 63 I N 2.333 122.935 120.570 0.054 0.000 2.379 63 I HA 0.074 4.243 4.170 -0.001 0.000 0.290 63 I C -1.342 174.814 176.117 0.066 0.000 1.063 63 I CA -1.592 59.763 61.300 0.090 0.000 1.351 63 I CB 1.405 39.480 38.000 0.126 0.000 1.410 63 I HN -0.143 nan 8.210 nan 0.000 0.505 64 P HA -0.093 nan 4.420 nan 0.000 0.216 64 P C 0.428 177.738 177.300 0.017 0.000 1.153 64 P CA 0.868 63.986 63.100 0.031 0.000 0.848 64 P CB 0.085 31.800 31.700 0.024 0.000 0.787 65 M N -2.032 117.583 119.600 0.024 0.000 2.573 65 M HA -0.165 4.315 4.480 -0.001 0.000 0.184 65 M C -0.629 175.630 176.300 -0.069 0.000 0.953 65 M CA 0.502 55.804 55.300 0.003 0.000 0.592 65 M CB -2.638 29.979 32.600 0.029 0.000 1.151 65 M HN 0.015 nan 8.290 nan 0.000 0.850 66 I N 2.692 123.203 120.570 -0.098 0.000 2.396 66 I HA 0.200 4.370 4.170 -0.001 0.000 0.289 66 I C -1.528 174.420 176.117 -0.282 0.000 1.056 66 I CA -1.741 59.471 61.300 -0.146 0.000 1.365 66 I CB 0.936 38.877 38.000 -0.099 0.000 1.407 66 I HN 0.147 nan 8.210 nan 0.000 0.509 67 P HA -0.004 nan 4.420 nan 0.000 0.263 67 P C 0.819 177.602 177.300 -0.862 0.000 1.195 67 P CA 0.187 62.831 63.100 -0.760 0.000 0.762 67 P CB 0.665 31.688 31.700 -1.127 0.000 0.799 68 G N 1.943 110.339 108.800 -0.673 0.000 2.880 68 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.209 68 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.209 68 G C -0.183 174.520 174.900 -0.328 0.000 1.157 68 G CA -0.327 44.512 45.100 -0.436 0.000 0.779 68 G HN 0.629 nan 8.290 nan 0.000 0.539 69 W N -1.424 119.814 121.300 -0.103 0.000 4.435 69 W HA -0.189 4.470 4.660 -0.001 0.000 0.351 69 W C -0.383 176.086 176.519 -0.084 0.000 1.319 69 W CA -0.439 56.855 57.345 -0.084 0.000 0.791 69 W CB -2.294 27.125 29.460 -0.069 0.000 2.419 69 W HN 0.040 nan 8.180 nan 0.000 1.406 70 V N 1.509 121.398 119.914 -0.041 0.000 2.328 70 V HA 0.316 4.435 4.120 -0.001 0.000 0.278 70 V C 0.521 176.601 176.094 -0.024 0.000 1.021 70 V CA -0.337 61.946 62.300 -0.028 0.000 0.838 70 V CB 1.303 33.078 31.823 -0.081 0.000 0.999 70 V HN 0.070 nan 8.190 nan 0.000 0.447 71 M N 3.361 122.954 119.600 -0.012 0.000 2.692 71 M HA 0.433 4.913 4.480 -0.001 0.000 0.372 71 M C -0.544 175.676 176.300 -0.132 0.000 1.192 71 M CA 0.301 55.566 55.300 -0.059 0.000 0.928 71 M CB 0.378 32.971 32.600 -0.012 0.000 1.366 71 M HN 0.489 nan 8.290 nan 0.000 0.517 72 D N -0.619 119.686 120.400 -0.159 0.000 2.756 72 D HA 0.377 5.016 4.640 -0.001 0.000 0.226 72 D C -1.149 174.942 176.300 -0.348 0.000 1.186 72 D CA -0.350 53.523 54.000 -0.211 0.000 0.845 72 D CB 2.003 42.766 40.800 -0.061 0.000 1.610 72 D HN -0.098 nan 8.370 nan 0.000 0.465 73 F N 1.243 121.009 119.950 -0.307 0.000 2.394 73 F HA 0.319 4.845 4.527 -0.001 0.000 0.340 73 F C -1.636 174.066 175.800 -0.164 0.000 1.105 73 F CA -1.771 55.926 58.000 -0.505 0.000 1.124 73 F CB 0.512 39.106 39.000 -0.677 0.000 1.145 73 F HN -0.099 nan 8.300 nan 0.000 0.505 74 P HA 0.044 nan 4.420 nan 0.000 0.266 74 P C 0.661 178.134 177.300 0.290 0.000 1.195 74 P CA 0.038 63.300 63.100 0.271 0.000 0.768 74 P CB 0.512 32.471 31.700 0.431 0.000 0.838 75 T N -1.360 113.316 114.554 0.203 0.000 3.067 75 T HA 0.229 4.578 4.350 -0.001 0.000 0.257 75 T C 1.375 176.098 174.700 0.038 0.000 1.105 75 T CA 0.718 62.895 62.100 0.129 0.000 1.104 75 T CB -0.612 68.308 68.868 0.088 0.000 0.925 75 T HN 0.631 nan 8.240 nan 0.000 0.498 76 G N 1.573 110.364 108.800 -0.015 0.000 2.194 76 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.236 76 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.236 76 G C 0.767 175.568 174.900 -0.165 0.000 0.987 76 G CA 0.267 45.144 45.100 -0.372 0.000 0.635 76 G HN 0.552 nan 8.290 nan 0.000 0.520 77 K N 0.290 120.717 120.400 0.044 0.000 2.358 77 K HA 0.247 4.567 4.320 -0.001 0.000 0.200 77 K C 0.266 176.979 176.600 0.189 0.000 1.030 77 K CA -0.152 56.194 56.287 0.098 0.000 1.097 77 K CB 0.509 33.050 32.500 0.067 0.000 0.862 77 K HN 0.398 nan 8.250 nan 0.000 0.534 78 E N 1.857 122.227 120.200 0.283 0.000 2.413 78 E HA 0.007 4.357 4.350 -0.001 0.000 0.263 78 E C -0.112 176.672 176.600 0.307 0.000 1.015 78 E CA 0.163 56.722 56.400 0.265 0.000 0.916 78 E CB 0.744 30.571 29.700 0.211 0.000 0.947 78 E HN 0.165 nan 8.360 nan 0.000 0.440 79 S N 0.813 116.683 115.700 0.284 0.000 2.618 79 S HA 0.920 5.389 4.470 -0.001 0.000 0.277 79 S C 0.051 174.852 174.600 0.335 0.000 1.138 79 S CA -0.346 58.028 58.200 0.289 0.000 0.844 79 S CB 2.039 65.360 63.200 0.203 0.000 1.127 79 S HN 0.993 nan 8.310 nan 0.000 0.474 80 G N 0.621 109.577 108.800 0.260 0.000 2.384 80 G HA2 0.178 4.138 3.960 -0.001 0.000 0.668 80 G HA3 0.178 4.138 3.960 -0.001 0.000 0.668 80 G C -2.205 172.699 174.900 0.006 0.000 1.280 80 G CA -0.797 44.359 45.100 0.093 0.000 0.992 80 G HN 0.799 nan 8.290 nan 0.000 0.512 81 D N 0.420 120.649 120.400 -0.286 0.000 2.317 81 D HA 0.651 5.290 4.640 -0.001 0.000 0.234 81 D C -0.478 175.466 176.300 -0.593 0.000 1.112 81 D CA 0.582 54.449 54.000 -0.222 0.000 0.840 81 D CB 0.772 41.542 40.800 -0.051 0.000 1.078 81 D HN 0.258 nan 8.370 nan 0.000 0.486 82 F N 1.169 121.160 119.950 0.068 0.000 2.576 82 F HA 0.464 4.991 4.527 -0.001 0.000 0.313 82 F C 0.100 175.928 175.800 0.046 0.000 1.078 82 F CA -0.962 57.057 58.000 0.032 0.000 0.921 82 F CB 1.473 40.464 39.000 -0.016 0.000 1.232 82 F HN -0.036 nan 8.300 nan 0.000 0.459 83 L N 1.995 123.334 121.223 0.193 0.000 2.334 83 L HA 0.952 5.292 4.340 -0.001 0.000 0.270 83 L C -0.493 176.424 176.870 0.077 0.000 1.018 83 L CA -0.941 53.969 54.840 0.116 0.000 0.811 83 L CB 1.918 44.027 42.059 0.082 0.000 1.271 83 L HN 0.765 nan 8.230 nan 0.000 0.443 84 A N 2.281 125.115 122.820 0.022 0.000 2.486 84 A HA 0.835 5.154 4.320 -0.001 0.000 0.300 84 A C -1.055 176.531 177.584 0.002 0.000 1.048 84 A CA -0.466 51.586 52.037 0.025 0.000 0.696 84 A CB 1.510 20.518 19.000 0.013 0.000 1.278 84 A HN 0.672 nan 8.150 nan 0.000 0.405 85 I N -1.032 119.572 120.570 0.057 0.000 2.608 85 I HA 0.807 4.977 4.170 -0.001 0.000 0.295 85 I C -1.370 174.877 176.117 0.216 0.000 1.049 85 I CA -0.627 60.707 61.300 0.056 0.000 1.063 85 I CB 2.365 40.333 38.000 -0.053 0.000 1.248 85 I HN 0.459 nan 8.210 nan 0.000 0.424 86 D N 5.544 126.057 120.400 0.189 0.000 2.471 86 D HA 0.331 4.971 4.640 -0.001 0.000 0.245 86 D C -1.367 175.094 176.300 0.268 0.000 1.116 86 D CA -0.372 53.765 54.000 0.229 0.000 0.853 86 D CB 1.893 42.768 40.800 0.124 0.000 1.123 86 D HN 0.608 nan 8.370 nan 0.000 0.540 87 L N 4.672 126.131 121.223 0.393 0.000 2.312 87 L HA 0.658 4.998 4.340 -0.001 0.000 0.287 87 L C 0.441 177.435 176.870 0.207 0.000 1.091 87 L CA 0.106 55.184 54.840 0.396 0.000 0.846 87 L CB 0.496 42.939 42.059 0.639 0.000 1.219 87 L HN 0.427 nan 8.230 nan 0.000 0.439 88 G N 2.661 111.577 108.800 0.194 0.000 2.606 88 G HA2 0.445 4.404 3.960 -0.001 0.000 0.262 88 G HA3 0.445 4.404 3.960 -0.001 0.000 0.262 88 G C 0.671 175.691 174.900 0.199 0.000 1.394 88 G CA -0.179 44.985 45.100 0.107 0.000 1.044 88 G HN 0.719 nan 8.290 nan 0.000 0.553 89 G N -1.397 107.483 108.800 0.133 0.000 2.404 89 G HA2 0.019 3.978 3.960 -0.001 0.000 0.214 89 G HA3 0.019 3.978 3.960 -0.001 0.000 0.214 89 G C 1.498 176.480 174.900 0.137 0.000 1.189 89 G CA 1.890 47.091 45.100 0.170 0.000 0.789 89 G HN 0.561 nan 8.290 nan 0.000 0.533 90 T N 0.155 114.766 114.554 0.095 0.000 3.046 90 T HA 0.178 4.527 4.350 -0.001 0.000 0.242 90 T C 0.535 175.296 174.700 0.102 0.000 1.018 90 T CA 0.033 62.171 62.100 0.062 0.000 1.131 90 T CB 0.124 69.016 68.868 0.041 0.000 0.904 90 T HN 0.071 nan 8.240 nan 0.000 0.459 91 N N 1.121 119.902 118.700 0.134 0.000 2.272 91 N HA 0.500 5.240 4.740 -0.001 0.000 0.305 91 N C -1.495 174.151 175.510 0.227 0.000 1.103 91 N CA -0.637 52.517 53.050 0.173 0.000 0.791 91 N CB 2.216 40.775 38.487 0.120 0.000 1.356 91 N HN 0.092 nan 8.380 nan 0.000 0.486 92 L N 1.190 122.595 121.223 0.303 0.000 2.265 92 L HA 0.432 4.772 4.340 -0.001 0.000 0.288 92 L C 0.183 177.196 176.870 0.238 0.000 1.058 92 L CA -0.242 54.780 54.840 0.303 0.000 0.809 92 L CB 0.405 42.672 42.059 0.347 0.000 1.179 92 L HN 0.450 nan 8.230 nan 0.000 0.429 93 R N 4.343 124.941 120.500 0.164 0.000 2.445 93 R HA 0.726 5.065 4.340 -0.001 0.000 0.308 93 R C -1.817 174.504 176.300 0.036 0.000 0.961 93 R CA -0.671 55.485 56.100 0.093 0.000 0.862 93 R CB 1.593 31.935 30.300 0.069 0.000 1.144 93 R HN 0.557 nan 8.270 nan 0.000 0.447 94 V N 5.145 125.027 119.914 -0.053 0.000 2.444 94 V HA 0.418 4.537 4.120 -0.001 0.000 0.294 94 V C -0.656 175.180 176.094 -0.431 0.000 1.022 94 V CA -0.730 61.400 62.300 -0.283 0.000 0.850 94 V CB 1.813 33.332 31.823 -0.507 0.000 0.992 94 V HN 0.512 nan 8.190 nan 0.000 0.426 95 V N 5.848 125.586 119.914 -0.294 0.000 2.531 95 V HA 0.473 4.592 4.120 -0.001 0.000 0.301 95 V C -0.596 175.487 176.094 -0.018 0.000 1.034 95 V CA -0.679 61.549 62.300 -0.121 0.000 0.865 95 V CB 1.939 33.748 31.823 -0.025 0.000 0.995 95 V HN 0.680 nan 8.190 nan 0.000 0.424 96 L N 6.939 128.269 121.223 0.179 0.000 2.257 96 L HA 0.664 5.003 4.340 -0.001 0.000 0.290 96 L C -0.476 176.504 176.870 0.184 0.000 1.044 96 L CA 0.174 55.179 54.840 0.275 0.000 0.810 96 L CB 1.342 43.654 42.059 0.423 0.000 1.193 96 L HN 0.453 nan 8.230 nan 0.000 0.425 97 V N 5.593 125.599 119.914 0.153 0.000 2.384 97 V HA 0.432 4.551 4.120 -0.001 0.000 0.287 97 V C 0.038 176.239 176.094 0.178 0.000 1.020 97 V CA -0.789 61.578 62.300 0.111 0.000 0.850 97 V CB 1.376 33.185 31.823 -0.023 0.000 0.987 97 V HN 0.679 nan 8.190 nan 0.000 0.436 98 K N 5.782 126.296 120.400 0.191 0.000 2.334 98 K HA 0.474 4.793 4.320 -0.001 0.000 0.265 98 K C -0.881 175.872 176.600 0.255 0.000 1.039 98 K CA -0.537 55.873 56.287 0.205 0.000 0.920 98 K CB 0.811 33.409 32.500 0.163 0.000 1.160 98 K HN 0.628 nan 8.250 nan 0.000 0.451 99 L N 3.876 125.267 121.223 0.279 0.000 2.369 99 L HA 0.120 4.460 4.340 -0.001 0.000 0.279 99 L C 1.705 178.759 176.870 0.307 0.000 1.108 99 L CA -0.220 54.794 54.840 0.289 0.000 0.852 99 L CB 0.959 43.146 42.059 0.213 0.000 1.169 99 L HN 0.878 nan 8.230 nan 0.000 0.452 100 G N 1.928 110.925 108.800 0.328 0.000 2.470 100 G HA2 0.002 3.961 3.960 -0.001 0.000 0.220 100 G HA3 0.002 3.961 3.960 -0.001 0.000 0.220 100 G C 1.207 176.235 174.900 0.213 0.000 1.121 100 G CA 0.584 45.827 45.100 0.238 0.000 0.766 100 G HN 1.015 nan 8.290 nan 0.000 0.553 101 G N 0.630 109.598 108.800 0.281 0.000 2.162 101 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.260 101 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.260 101 G C 0.481 175.443 174.900 0.102 0.000 0.976 101 G CA 0.945 46.166 45.100 0.201 0.000 0.655 101 G HN 0.929 nan 8.290 nan 0.000 0.533 102 D N -1.418 119.032 120.400 0.082 0.000 2.740 102 D HA 0.299 4.939 4.640 -0.001 0.000 0.301 102 D C 0.967 177.222 176.300 -0.074 0.000 1.408 102 D CA -0.461 53.538 54.000 -0.002 0.000 0.808 102 D CB -0.292 40.522 40.800 0.022 0.000 1.128 102 D HN 0.432 nan 8.370 nan 0.000 0.465 103 R N -0.796 119.579 120.500 -0.208 0.000 3.872 103 R HA -0.128 4.211 4.340 -0.001 0.000 0.341 103 R C -0.355 175.900 176.300 -0.075 0.000 1.172 103 R CA 1.333 57.221 56.100 -0.353 0.000 0.901 103 R CB -2.807 27.339 30.300 -0.256 0.000 1.422 103 R HN 0.603 nan 8.270 nan 0.000 0.523 104 T N -2.098 112.525 114.554 0.115 0.000 2.901 104 T HA 0.828 5.177 4.350 -0.001 0.000 0.293 104 T C -0.454 174.382 174.700 0.227 0.000 1.084 104 T CA -0.791 61.324 62.100 0.025 0.000 1.008 104 T CB 2.385 71.236 68.868 -0.028 0.000 1.170 104 T HN 0.280 nan 8.240 nan 0.000 0.509 105 F N -1.375 118.695 119.950 0.199 0.000 2.686 105 F HA 0.817 5.343 4.527 -0.001 0.000 0.311 105 F C -1.585 174.279 175.800 0.107 0.000 1.128 105 F CA -1.253 56.837 58.000 0.150 0.000 0.946 105 F CB 0.986 40.046 39.000 0.100 0.000 1.336 105 F HN 0.468 nan 8.300 nan 0.000 0.457 106 D N 0.954 121.591 120.400 0.395 0.000 2.362 106 D HA 0.507 5.146 4.640 -0.001 0.000 0.247 106 D C -0.830 175.630 176.300 0.267 0.000 1.050 106 D CA 0.006 54.164 54.000 0.263 0.000 0.839 106 D CB 2.487 43.389 40.800 0.168 0.000 1.283 106 D HN 0.843 nan 8.370 nan 0.000 0.477 107 T N -1.282 113.409 114.554 0.228 0.000 2.908 107 T HA 0.695 5.044 4.350 -0.001 0.000 0.290 107 T C -0.310 174.478 174.700 0.146 0.000 1.034 107 T CA -0.627 61.581 62.100 0.179 0.000 1.010 107 T CB 1.934 70.903 68.868 0.168 0.000 1.068 107 T HN 0.084 nan 8.240 nan 0.000 0.481 108 T N 2.371 117.023 114.554 0.163 0.000 2.881 108 T HA 0.549 4.899 4.350 -0.001 0.000 0.291 108 T C -0.862 173.995 174.700 0.261 0.000 0.990 108 T CA -0.753 61.456 62.100 0.181 0.000 0.976 108 T CB 1.375 70.334 68.868 0.152 0.000 0.970 108 T HN 0.894 nan 8.240 nan 0.000 0.438 109 Q N 1.325 121.246 119.800 0.202 0.000 2.433 109 Q HA 0.899 5.239 4.340 -0.001 0.000 0.279 109 Q C -1.300 174.809 176.000 0.182 0.000 1.105 109 Q CA -0.978 54.924 55.803 0.165 0.000 0.815 109 Q CB 2.092 30.873 28.738 0.071 0.000 1.403 109 Q HN 0.406 nan 8.270 nan 0.000 0.435 110 S N 0.140 115.900 115.700 0.101 0.000 2.541 110 S HA 0.489 4.958 4.470 -0.001 0.000 0.280 110 S C -1.342 173.121 174.600 -0.228 0.000 1.112 110 S CA -0.937 57.239 58.200 -0.038 0.000 0.925 110 S CB 1.540 64.768 63.200 0.047 0.000 1.067 110 S HN 0.483 nan 8.310 nan 0.000 0.479 111 K N 1.655 121.865 120.400 -0.316 0.000 2.206 111 K HA 0.471 4.790 4.320 -0.001 0.000 0.264 111 K C -1.629 174.745 176.600 -0.377 0.000 0.967 111 K CA -0.454 55.707 56.287 -0.211 0.000 0.844 111 K CB 1.260 33.721 32.500 -0.065 0.000 1.099 111 K HN 0.570 nan 8.250 nan 0.000 0.441 112 Y N 1.669 122.030 120.300 0.102 0.000 2.555 112 Y HA 0.266 4.816 4.550 -0.001 0.000 0.326 112 Y C 0.254 176.308 175.900 0.257 0.000 0.984 112 Y CA -0.916 57.275 58.100 0.152 0.000 1.298 112 Y CB 1.037 39.544 38.460 0.078 0.000 1.094 112 Y HN 0.412 nan 8.280 nan 0.000 0.500 113 R N 2.785 123.446 120.500 0.268 0.000 2.583 113 R HA 0.068 4.408 4.340 -0.001 0.000 0.274 113 R C -0.526 175.899 176.300 0.207 0.000 0.998 113 R CA 0.034 56.249 56.100 0.193 0.000 1.081 113 R CB 0.371 30.729 30.300 0.097 0.000 0.940 113 R HN 0.724 nan 8.270 nan 0.000 0.413 114 L N 7.969 129.247 121.223 0.091 0.000 2.283 114 L HA 0.293 4.632 4.340 -0.001 0.000 0.287 114 L C -1.890 174.851 176.870 -0.216 0.000 1.073 114 L CA -2.123 52.639 54.840 -0.130 0.000 0.822 114 L CB 1.244 43.287 42.059 -0.026 0.000 1.186 114 L HN 0.603 nan 8.230 nan 0.000 0.436 115 P HA -0.077 nan 4.420 nan 0.000 0.264 115 P C -0.001 177.158 177.300 -0.234 0.000 1.173 115 P CA -0.024 62.934 63.100 -0.238 0.000 0.761 115 P CB 0.557 32.093 31.700 -0.273 0.000 0.794 116 D N 2.407 122.702 120.400 -0.174 0.000 2.116 116 D HA -0.194 4.446 4.640 -0.001 0.000 0.193 116 D C 1.809 177.986 176.300 -0.205 0.000 0.998 116 D CA 2.153 56.049 54.000 -0.172 0.000 0.836 116 D CB -0.767 39.960 40.800 -0.121 0.000 0.951 116 D HN 0.432 nan 8.370 nan 0.000 0.449 117 A N 0.164 122.873 122.820 -0.184 0.000 2.168 117 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 117 A C 2.089 179.536 177.584 -0.229 0.000 1.152 117 A CA 0.614 52.542 52.037 -0.182 0.000 0.716 117 A CB -0.309 18.609 19.000 -0.136 0.000 0.794 117 A HN 0.076 nan 8.150 nan 0.000 0.465 118 M N -0.499 118.930 119.600 -0.284 0.000 2.200 118 M HA -0.052 4.427 4.480 -0.001 0.000 0.265 118 M C 2.081 178.161 176.300 -0.367 0.000 1.066 118 M CA 1.105 56.214 55.300 -0.319 0.000 1.127 118 M CB -0.799 31.553 32.600 -0.413 0.000 1.379 118 M HN 0.443 nan 8.290 nan 0.000 0.420 119 R N -0.720 119.470 120.500 -0.516 0.000 2.159 119 R HA -0.100 4.240 4.340 -0.001 0.000 0.237 119 R C 0.964 176.906 176.300 -0.597 0.000 1.131 119 R CA 1.475 57.057 56.100 -0.863 0.000 0.982 119 R CB -0.428 29.285 30.300 -0.979 0.000 0.868 119 R HN 0.331 nan 8.270 nan 0.000 0.453 120 T N 0.131 114.453 114.554 -0.387 0.000 3.200 120 T HA 0.084 4.434 4.350 -0.001 0.000 0.284 120 T C 0.040 174.623 174.700 -0.196 0.000 1.009 120 T CA -0.224 61.710 62.100 -0.276 0.000 0.907 120 T CB 0.727 69.465 68.868 -0.217 0.000 1.120 120 T HN 0.175 nan 8.240 nan 0.000 0.534 121 T N 2.385 116.820 114.554 -0.198 0.000 2.854 121 T HA -0.019 4.331 4.350 -0.001 0.000 0.336 121 T C 0.953 175.600 174.700 -0.088 0.000 1.095 121 T CA 0.053 62.073 62.100 -0.133 0.000 1.118 121 T CB 0.570 69.362 68.868 -0.127 0.000 1.025 121 T HN -0.012 nan 8.240 nan 0.000 0.549 122 Q N 0.376 120.143 119.800 -0.055 0.000 2.247 122 Q HA 0.229 4.568 4.340 -0.001 0.000 0.211 122 Q C -0.345 175.652 176.000 -0.004 0.000 0.861 122 Q CA 0.088 55.877 55.803 -0.023 0.000 0.949 122 Q CB 0.311 29.037 28.738 -0.019 0.000 1.115 122 Q HN 0.473 nan 8.270 nan 0.000 0.507 123 N N 1.394 120.088 118.700 -0.011 0.000 2.501 123 N HA 0.174 4.913 4.740 -0.001 0.000 0.245 123 N C -2.033 173.491 175.510 0.023 0.000 0.974 123 N CA -1.272 51.783 53.050 0.009 0.000 0.941 123 N CB 1.716 40.206 38.487 0.004 0.000 1.122 123 N HN -0.041 nan 8.380 nan 0.000 0.507 124 P HA -0.104 nan 4.420 nan 0.000 0.219 124 P C 0.398 177.797 177.300 0.166 0.000 1.146 124 P CA 1.122 64.295 63.100 0.121 0.000 0.808 124 P CB 0.610 32.397 31.700 0.145 0.000 0.779 125 D N 0.007 120.502 120.400 0.158 0.000 2.183 125 D HA -0.128 4.511 4.640 -0.001 0.000 0.203 125 D C 1.979 178.351 176.300 0.120 0.000 0.969 125 D CA 0.805 54.945 54.000 0.234 0.000 0.842 125 D CB -0.501 40.396 40.800 0.162 0.000 0.957 125 D HN 0.276 nan 8.370 nan 0.000 0.484 126 E N 0.741 120.954 120.200 0.023 0.000 2.086 126 E HA -0.208 4.142 4.350 -0.001 0.000 0.205 126 E C 2.130 178.694 176.600 -0.060 0.000 1.027 126 E CA 0.897 57.288 56.400 -0.014 0.000 0.830 126 E CB -0.241 29.432 29.700 -0.046 0.000 0.751 126 E HN 0.168 nan 8.360 nan 0.000 0.456 127 L N -0.334 120.742 121.223 -0.245 0.000 2.042 127 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 127 L C 2.036 178.765 176.870 -0.235 0.000 1.076 127 L CA 1.908 56.551 54.840 -0.327 0.000 0.749 127 L CB -0.487 41.182 42.059 -0.650 0.000 0.893 127 L HN 0.435 nan 8.230 nan 0.000 0.432 128 W N 0.339 121.732 121.300 0.154 0.000 2.363 128 W HA -0.174 4.486 4.660 -0.001 0.000 0.296 128 W C 2.409 178.962 176.519 0.057 0.000 1.212 128 W CA 0.460 57.860 57.345 0.092 0.000 1.260 128 W CB -0.333 29.163 29.460 0.060 0.000 1.131 128 W HN 0.181 nan 8.180 nan 0.000 0.530 129 E N 0.015 120.344 120.200 0.214 0.000 2.106 129 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 129 E C 1.850 178.516 176.600 0.109 0.000 0.984 129 E CA 1.365 57.846 56.400 0.134 0.000 0.806 129 E CB -0.532 29.233 29.700 0.108 0.000 0.750 129 E HN 0.330 nan 8.360 nan 0.000 0.458 130 F N 1.308 121.252 119.950 -0.010 0.000 2.186 130 F HA -0.105 4.421 4.527 -0.001 0.000 0.299 130 F C 1.861 177.635 175.800 -0.044 0.000 1.090 130 F CA 1.101 59.082 58.000 -0.032 0.000 1.307 130 F CB -0.022 38.954 39.000 -0.040 0.000 1.019 130 F HN -0.118 nan 8.300 nan 0.000 0.489 131 I N 0.392 120.890 120.570 -0.120 0.000 2.202 131 I HA -0.234 3.936 4.170 -0.001 0.000 0.242 131 I C 2.740 178.721 176.117 -0.228 0.000 1.091 131 I CA 1.213 62.384 61.300 -0.215 0.000 1.368 131 I CB -0.997 37.009 38.000 0.010 0.000 1.058 131 I HN 0.213 nan 8.210 nan 0.000 0.410 132 A N 0.457 123.217 122.820 -0.101 0.000 1.902 132 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 132 A C 1.979 179.480 177.584 -0.138 0.000 1.181 132 A CA 2.016 53.998 52.037 -0.091 0.000 0.623 132 A CB -0.620 18.368 19.000 -0.020 0.000 0.818 132 A HN 0.349 nan 8.150 nan 0.000 0.443 133 D N 0.039 120.345 120.400 -0.158 0.000 2.144 133 D HA -0.082 4.558 4.640 -0.001 0.000 0.199 133 D C 2.213 178.337 176.300 -0.293 0.000 0.984 133 D CA 1.591 55.489 54.000 -0.171 0.000 0.834 133 D CB -0.241 40.487 40.800 -0.120 0.000 0.955 133 D HN 0.431 nan 8.370 nan 0.000 0.465 134 S N 0.306 115.688 115.700 -0.529 0.000 2.406 134 S HA 0.003 4.472 4.470 -0.001 0.000 0.228 134 S C 2.205 176.481 174.600 -0.541 0.000 1.020 134 S CA 0.167 57.857 58.200 -0.850 0.000 0.965 134 S CB -0.008 62.392 63.200 -1.332 0.000 0.798 134 S HN 0.228 nan 8.310 nan 0.000 0.488 135 L N 1.257 122.294 121.223 -0.311 0.000 2.046 135 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 135 L C 2.778 179.657 176.870 0.015 0.000 1.077 135 L CA 1.132 55.911 54.840 -0.103 0.000 0.747 135 L CB -0.325 41.676 42.059 -0.097 0.000 0.896 135 L HN 0.199 nan 8.230 nan 0.000 0.432 136 K N 0.169 120.543 120.400 -0.044 0.000 2.009 136 K HA -0.183 4.137 4.320 -0.001 0.000 0.210 136 K C 2.072 178.689 176.600 0.028 0.000 1.049 136 K CA 1.680 57.965 56.287 -0.004 0.000 0.929 136 K CB -0.246 32.235 32.500 -0.033 0.000 0.714 136 K HN 0.294 nan 8.250 nan 0.000 0.440 137 A N 0.341 123.158 122.820 -0.004 0.000 1.933 137 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 137 A C 2.087 179.760 177.584 0.148 0.000 1.175 137 A CA 1.310 53.380 52.037 0.056 0.000 0.628 137 A CB -0.691 18.343 19.000 0.057 0.000 0.814 137 A HN 0.395 nan 8.150 nan 0.000 0.444 138 F N 0.534 120.514 119.950 0.049 0.000 2.113 138 F HA -0.131 4.396 4.527 -0.001 0.000 0.297 138 F C 1.992 177.867 175.800 0.125 0.000 1.103 138 F CA 1.387 59.467 58.000 0.134 0.000 1.248 138 F CB -0.034 39.056 39.000 0.150 0.000 0.999 138 F HN 0.125 nan 8.300 nan 0.000 0.475 139 I N 0.562 121.276 120.570 0.240 0.000 2.179 139 I HA -0.269 3.901 4.170 -0.001 0.000 0.242 139 I C 2.007 178.213 176.117 0.148 0.000 1.088 139 I CA 1.410 62.871 61.300 0.268 0.000 1.357 139 I CB -1.410 36.724 38.000 0.222 0.000 1.051 139 I HN 0.146 nan 8.210 nan 0.000 0.409 140 D N 0.855 121.300 120.400 0.075 0.000 2.116 140 D HA -0.229 4.411 4.640 -0.001 0.000 0.193 140 D C 2.125 178.411 176.300 -0.023 0.000 0.998 140 D CA 1.414 55.434 54.000 0.034 0.000 0.836 140 D CB -0.203 40.612 40.800 0.025 0.000 0.951 140 D HN 0.444 nan 8.370 nan 0.000 0.449 141 E N -0.294 119.852 120.200 -0.090 0.000 2.107 141 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 141 E C 2.109 178.557 176.600 -0.253 0.000 0.982 141 E CA 0.668 56.975 56.400 -0.156 0.000 0.809 141 E CB 0.190 29.773 29.700 -0.195 0.000 0.756 141 E HN 0.178 nan 8.360 nan 0.000 0.459 142 Q N -0.824 118.738 119.800 -0.397 0.000 2.250 142 Q HA 0.026 4.366 4.340 -0.001 0.000 0.200 142 Q C 0.039 175.608 176.000 -0.718 0.000 0.941 142 Q CA 0.775 56.199 55.803 -0.633 0.000 0.872 142 Q CB 0.392 28.578 28.738 -0.920 0.000 0.965 142 Q HN 0.191 nan 8.270 nan 0.000 0.480 143 F N 1.573 121.458 119.950 -0.110 0.000 2.550 143 F HA 0.291 4.817 4.527 -0.001 0.000 0.348 143 F C -1.560 174.209 175.800 -0.051 0.000 1.219 143 F CA -2.030 55.932 58.000 -0.063 0.000 1.203 143 F CB 1.359 40.333 39.000 -0.044 0.000 1.436 143 F HN -0.078 nan 8.300 nan 0.000 0.541 144 P HA -0.183 nan 4.420 nan 0.000 0.218 144 P C 0.474 177.799 177.300 0.041 0.000 1.149 144 P CA 1.469 64.584 63.100 0.024 0.000 0.817 144 P CB 0.270 31.962 31.700 -0.013 0.000 0.785 145 Q N -0.226 119.608 119.800 0.058 0.000 2.280 145 Q HA 0.385 4.725 4.340 -0.001 0.000 0.202 145 Q C 0.904 176.934 176.000 0.050 0.000 0.903 145 Q CA 0.177 56.007 55.803 0.045 0.000 0.948 145 Q CB -0.026 28.736 28.738 0.039 0.000 1.058 145 Q HN 0.194 nan 8.270 nan 0.000 0.493 146 G N 2.288 111.132 108.800 0.074 0.000 2.796 146 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.571 146 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.571 146 G C -0.662 174.239 174.900 0.003 0.000 1.370 146 G CA -0.305 44.818 45.100 0.038 0.000 0.856 146 G HN 0.464 nan 8.290 nan 0.000 0.538 147 I N -1.994 118.520 120.570 -0.092 0.000 2.545 147 I HA 0.776 4.945 4.170 -0.001 0.000 0.292 147 I C 0.852 176.893 176.117 -0.128 0.000 1.040 147 I CA 0.022 61.212 61.300 -0.184 0.000 1.068 147 I CB 2.276 40.008 38.000 -0.447 0.000 1.251 147 I HN 0.905 nan 8.210 nan 0.000 0.424 148 S N 3.195 118.832 115.700 -0.105 0.000 2.468 148 S HA 0.296 4.765 4.470 -0.001 0.000 0.226 148 S C 0.420 174.971 174.600 -0.083 0.000 1.051 148 S CA -0.064 58.092 58.200 -0.075 0.000 0.943 148 S CB -0.184 62.988 63.200 -0.047 0.000 0.810 148 S HN 0.722 nan 8.310 nan 0.000 0.509 149 E N 2.525 122.666 120.200 -0.099 0.000 2.191 149 E HA 0.503 4.852 4.350 -0.001 0.000 0.274 149 E C -2.986 173.542 176.600 -0.120 0.000 0.948 149 E CA -2.929 53.417 56.400 -0.090 0.000 0.802 149 E CB 0.533 30.190 29.700 -0.071 0.000 1.137 149 E HN 0.118 nan 8.360 nan 0.000 0.397 150 P HA 0.087 nan 4.420 nan 0.000 0.265 150 P C -0.259 176.967 177.300 -0.124 0.000 1.187 150 P CA 0.346 63.383 63.100 -0.105 0.000 0.766 150 P CB 0.392 32.050 31.700 -0.070 0.000 0.820 151 I N 5.034 125.521 120.570 -0.138 0.000 2.354 151 I HA 0.291 4.460 4.170 -0.001 0.000 0.292 151 I C -2.151 173.932 176.117 -0.057 0.000 0.989 151 I CA -2.764 58.449 61.300 -0.145 0.000 1.188 151 I CB 1.745 39.641 38.000 -0.174 0.000 1.342 151 I HN 0.148 nan 8.210 nan 0.000 0.457 152 P HA 0.227 nan 4.420 nan 0.000 0.271 152 P C -1.062 176.314 177.300 0.128 0.000 1.216 152 P CA -0.250 62.911 63.100 0.102 0.000 0.776 152 P CB 0.788 32.629 31.700 0.235 0.000 0.881 153 L N 2.201 123.474 121.223 0.083 0.000 2.381 153 L HA 0.844 5.184 4.340 -0.001 0.000 0.268 153 L C -0.264 176.651 176.870 0.076 0.000 0.997 153 L CA -0.424 54.458 54.840 0.071 0.000 0.818 153 L CB 1.847 43.915 42.059 0.015 0.000 1.310 153 L HN 0.483 nan 8.230 nan 0.000 0.416 154 G N 2.730 111.582 108.800 0.086 0.000 2.452 154 G HA2 0.488 4.447 3.960 -0.001 0.000 0.324 154 G HA3 0.488 4.447 3.960 -0.001 0.000 0.324 154 G C -1.775 173.240 174.900 0.192 0.000 1.214 154 G CA -0.321 44.844 45.100 0.108 0.000 0.947 154 G HN 0.378 nan 8.290 nan 0.000 0.478 155 F N 2.716 122.686 119.950 0.034 0.000 2.347 155 F HA 0.455 4.981 4.527 -0.001 0.000 0.366 155 F C 0.415 176.284 175.800 0.114 0.000 1.107 155 F CA -1.404 56.642 58.000 0.075 0.000 1.058 155 F CB 1.133 40.169 39.000 0.060 0.000 1.236 155 F HN 0.256 nan 8.300 nan 0.000 0.456 156 T N 7.442 122.210 114.554 0.357 0.000 2.743 156 T HA 0.108 4.457 4.350 -0.001 0.000 0.290 156 T C -0.520 174.229 174.700 0.081 0.000 0.908 156 T CA 0.296 62.484 62.100 0.147 0.000 1.092 156 T CB -0.514 68.421 68.868 0.111 0.000 0.882 156 T HN 0.385 nan 8.240 nan 0.000 0.531 157 F N 3.341 123.116 119.950 -0.292 0.000 2.310 157 F HA 0.362 4.888 4.527 -0.001 0.000 0.365 157 F C 0.651 176.360 175.800 -0.152 0.000 1.080 157 F CA -0.914 56.881 58.000 -0.342 0.000 1.187 157 F CB 0.682 39.300 39.000 -0.636 0.000 1.465 157 F HN 0.383 nan 8.300 nan 0.000 0.496 158 S N 5.233 120.718 115.700 -0.360 0.000 2.699 158 S HA 0.262 4.731 4.470 -0.001 0.000 0.251 158 S C -0.318 173.945 174.600 -0.562 0.000 1.179 158 S CA -0.122 57.858 58.200 -0.367 0.000 1.200 158 S CB -0.805 62.236 63.200 -0.265 0.000 0.848 158 S HN 0.365 nan 8.310 nan 0.000 0.472 159 F N 1.727 121.356 119.950 -0.535 0.000 2.440 159 F HA 0.435 4.961 4.527 -0.001 0.000 0.328 159 F C -2.236 173.395 175.800 -0.282 0.000 1.070 159 F CA -2.837 54.885 58.000 -0.464 0.000 1.011 159 F CB 0.194 38.743 39.000 -0.751 0.000 1.226 159 F HN -0.052 nan 8.300 nan 0.000 0.491 160 P HA 0.247 nan 4.420 nan 0.000 0.264 160 P C -1.120 176.206 177.300 0.043 0.000 1.229 160 P CA 0.247 63.363 63.100 0.028 0.000 0.780 160 P CB 0.314 32.032 31.700 0.031 0.000 0.808 161 A N 2.869 125.728 122.820 0.065 0.000 2.566 161 A HA 0.790 5.109 4.320 -0.001 0.000 0.292 161 A C -0.573 177.041 177.584 0.050 0.000 1.112 161 A CA -0.481 51.610 52.037 0.090 0.000 0.707 161 A CB 1.462 20.594 19.000 0.219 0.000 1.302 161 A HN 0.429 nan 8.150 nan 0.000 0.409 162 S N -0.009 115.708 115.700 0.029 0.000 2.566 162 S HA 0.805 5.274 4.470 -0.001 0.000 0.298 162 S C -0.766 173.853 174.600 0.030 0.000 1.083 162 S CA -0.603 57.616 58.200 0.032 0.000 0.978 162 S CB 1.780 64.991 63.200 0.017 0.000 1.073 162 S HN 0.825 nan 8.310 nan 0.000 0.491 163 Q N 0.299 120.150 119.800 0.085 0.000 2.331 163 Q HA 0.484 4.823 4.340 -0.001 0.000 0.272 163 Q C -0.926 175.158 176.000 0.140 0.000 1.062 163 Q CA -0.632 55.230 55.803 0.097 0.000 0.806 163 Q CB 1.705 30.579 28.738 0.226 0.000 1.312 163 Q HN 0.775 nan 8.270 nan 0.000 0.431 164 N N 1.799 120.428 118.700 -0.118 0.000 2.177 164 N HA 0.132 4.872 4.740 -0.001 0.000 0.218 164 N C -1.319 173.557 175.510 -1.058 0.000 1.182 164 N CA 0.327 53.171 53.050 -0.342 0.000 0.882 164 N CB 0.712 39.072 38.487 -0.213 0.000 1.052 164 N HN 0.547 nan 8.380 nan 0.000 0.519 165 K N -1.527 118.309 120.400 -0.939 0.000 2.607 165 K HA 0.230 4.549 4.320 -0.001 0.000 0.287 165 K C 0.124 176.484 176.600 -0.399 0.000 0.996 165 K CA -0.687 55.045 56.287 -0.924 0.000 0.876 165 K CB 0.535 32.713 32.500 -0.536 0.000 1.496 165 K HN -0.266 nan 8.250 nan 0.000 0.415 166 I N 1.483 121.957 120.570 -0.159 0.000 2.454 166 I HA -0.172 3.998 4.170 -0.001 0.000 0.254 166 I C 0.496 176.603 176.117 -0.016 0.000 1.156 166 I CA 1.424 62.745 61.300 0.034 0.000 1.433 166 I CB -0.450 37.593 38.000 0.072 0.000 1.082 166 I HN 0.762 nan 8.210 nan 0.000 0.432 167 N N 0.771 119.429 118.700 -0.072 0.000 2.453 167 N HA 0.077 4.816 4.740 -0.001 0.000 0.270 167 N C -0.329 175.126 175.510 -0.092 0.000 1.195 167 N CA -0.306 52.707 53.050 -0.062 0.000 0.902 167 N CB -0.367 38.086 38.487 -0.058 0.000 1.186 167 N HN 0.618 nan 8.380 nan 0.000 0.510 168 E N -1.407 118.730 120.200 -0.106 0.000 2.410 168 E HA 0.752 5.102 4.350 -0.001 0.000 0.269 168 E C -0.980 175.544 176.600 -0.127 0.000 0.937 168 E CA -1.561 54.763 56.400 -0.126 0.000 0.793 168 E CB 1.883 31.502 29.700 -0.135 0.000 1.314 168 E HN 0.016 nan 8.360 nan 0.000 0.447 169 G N 1.358 110.056 108.800 -0.170 0.000 2.160 169 G HA2 0.426 4.385 3.960 -0.001 0.000 0.288 169 G HA3 0.426 4.385 3.960 -0.001 0.000 0.288 169 G C -1.294 173.489 174.900 -0.195 0.000 1.335 169 G CA -0.656 44.328 45.100 -0.192 0.000 1.249 169 G HN 0.360 nan 8.290 nan 0.000 0.614 170 I N 2.621 123.125 120.570 -0.109 0.000 2.322 170 I HA 0.188 4.357 4.170 -0.001 0.000 0.292 170 I C 0.438 176.519 176.117 -0.059 0.000 1.060 170 I CA -0.649 60.593 61.300 -0.097 0.000 1.309 170 I CB 1.456 39.404 38.000 -0.086 0.000 1.415 170 I HN 0.408 nan 8.210 nan 0.000 0.492 171 L N 7.955 129.131 121.223 -0.079 0.000 2.534 171 L HA 0.018 4.357 4.340 -0.001 0.000 0.271 171 L C 1.198 178.001 176.870 -0.111 0.000 1.178 171 L CA 0.902 55.692 54.840 -0.084 0.000 0.907 171 L CB 0.277 42.163 42.059 -0.289 0.000 1.164 171 L HN 0.666 nan 8.230 nan 0.000 0.482 172 Q N 5.389 125.144 119.800 -0.073 0.000 2.165 172 Q HA 0.094 4.433 4.340 -0.001 0.000 0.197 172 Q C -0.110 175.844 176.000 -0.076 0.000 0.952 172 Q CA 0.813 56.580 55.803 -0.060 0.000 0.848 172 Q CB 0.262 28.987 28.738 -0.021 0.000 0.931 172 Q HN 0.752 nan 8.270 nan 0.000 0.470 173 R N -1.292 119.153 120.500 -0.091 0.000 2.604 173 R HA 0.268 4.608 4.340 -0.001 0.000 0.261 173 R C -1.792 174.485 176.300 -0.037 0.000 1.080 173 R CA -0.747 55.318 56.100 -0.059 0.000 0.917 173 R CB 0.262 30.581 30.300 0.032 0.000 1.252 173 R HN -0.041 nan 8.270 nan 0.000 0.456 174 W N 1.666 122.973 121.300 0.011 0.000 2.123 174 W HA 0.312 4.971 4.660 -0.001 0.000 0.351 174 W C 0.367 176.952 176.519 0.111 0.000 1.292 174 W CA 0.477 57.811 57.345 -0.019 0.000 1.263 174 W CB 1.236 30.700 29.460 0.007 0.000 1.165 174 W HN 0.526 nan 8.180 nan 0.000 0.590 175 T N 0.340 115.261 114.554 0.612 0.000 2.792 175 T HA 0.193 4.542 4.350 -0.001 0.000 0.303 175 T C -0.689 174.326 174.700 0.526 0.000 1.310 175 T CA -0.974 61.404 62.100 0.462 0.000 1.007 175 T CB 1.380 70.475 68.868 0.379 0.000 1.335 175 T HN 0.445 nan 8.240 nan 0.000 0.504 176 K N 0.642 121.219 120.400 0.295 0.000 3.069 176 K HA -0.241 4.079 4.320 -0.001 0.000 0.267 176 K C 0.868 177.580 176.600 0.186 0.000 1.082 176 K CA 0.977 57.403 56.287 0.231 0.000 0.782 176 K CB -1.651 31.008 32.500 0.266 0.000 1.230 176 K HN 1.214 nan 8.250 nan 0.000 0.488 177 G N -0.722 108.152 108.800 0.124 0.000 2.258 177 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.233 177 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.233 177 G C 0.234 175.061 174.900 -0.121 0.000 1.006 177 G CA 0.044 45.125 45.100 -0.032 0.000 0.620 177 G HN 0.197 nan 8.290 nan 0.000 0.511 178 F N 1.508 121.374 119.950 -0.140 0.000 2.595 178 F HA 0.475 5.002 4.527 -0.001 0.000 0.359 178 F C 0.901 176.409 175.800 -0.486 0.000 1.147 178 F CA 1.170 58.870 58.000 -0.500 0.000 1.341 178 F CB 0.727 39.158 39.000 -0.950 0.000 1.104 178 F HN 0.081 nan 8.300 nan 0.000 0.603 179 D N 3.046 123.149 120.400 -0.495 0.000 2.826 179 D HA 0.278 4.917 4.640 -0.001 0.000 0.239 179 D C -1.246 174.901 176.300 -0.256 0.000 1.329 179 D CA -0.075 53.758 54.000 -0.278 0.000 0.854 179 D CB -0.044 40.698 40.800 -0.097 0.000 1.494 179 D HN 0.303 nan 8.370 nan 0.000 0.540 180 I N 2.956 123.346 120.570 -0.300 0.000 2.378 180 I HA 0.442 4.612 4.170 -0.001 0.000 0.291 180 I C -1.960 174.338 176.117 0.302 0.000 0.992 180 I CA -2.062 59.245 61.300 0.012 0.000 1.154 180 I CB 1.878 39.865 38.000 -0.021 0.000 1.315 180 I HN 0.079 nan 8.210 nan 0.000 0.448 181 P HA 0.099 nan 4.420 nan 0.000 0.272 181 P C -0.494 176.913 177.300 0.179 0.000 1.230 181 P CA -0.013 63.189 63.100 0.170 0.000 0.788 181 P CB 0.332 32.089 31.700 0.095 0.000 0.949 182 N N -0.504 118.279 118.700 0.139 0.000 2.708 182 N HA -0.189 4.550 4.740 -0.001 0.000 0.249 182 N C 0.500 176.032 175.510 0.037 0.000 1.097 182 N CA 0.286 53.369 53.050 0.056 0.000 0.710 182 N CB -1.337 37.138 38.487 -0.021 0.000 1.032 182 N HN 0.464 nan 8.380 nan 0.000 0.551 183 I N -0.610 120.079 120.570 0.197 0.000 4.033 183 I HA 0.024 4.193 4.170 -0.001 0.000 0.296 183 I C 0.540 176.742 176.117 0.141 0.000 1.210 183 I CA -0.103 61.321 61.300 0.207 0.000 1.341 183 I CB 0.165 38.379 38.000 0.355 0.000 1.369 183 I HN 0.120 nan 8.210 nan 0.000 0.453 184 E N 2.449 122.676 120.200 0.045 0.000 2.502 184 E HA -0.063 4.287 4.350 -0.001 0.000 0.261 184 E C -0.292 176.326 176.600 0.031 0.000 0.974 184 E CA 0.451 56.822 56.400 -0.049 0.000 0.936 184 E CB -0.002 29.672 29.700 -0.044 0.000 0.926 184 E HN 0.273 nan 8.360 nan 0.000 0.459 185 N N 0.669 119.314 118.700 -0.091 0.000 2.800 185 N HA -0.200 4.540 4.740 -0.001 0.000 0.250 185 N C -1.113 174.149 175.510 -0.414 0.000 1.078 185 N CA 0.583 53.510 53.050 -0.206 0.000 0.804 185 N CB -0.899 37.458 38.487 -0.217 0.000 1.135 185 N HN 0.475 nan 8.380 nan 0.000 0.565 186 H N -0.664 118.361 119.070 -0.076 0.000 2.771 186 H HA 0.372 4.927 4.556 -0.001 0.000 0.367 186 H C -0.587 174.668 175.328 -0.122 0.000 1.172 186 H CA -0.800 55.202 56.048 -0.078 0.000 1.186 186 H CB 1.073 30.805 29.762 -0.049 0.000 1.790 186 H HN -0.012 nan 8.280 nan 0.000 0.556 187 D N 1.132 121.523 120.400 -0.015 0.000 2.312 187 D HA 0.019 4.659 4.640 -0.001 0.000 0.252 187 D C 1.044 177.226 176.300 -0.197 0.000 1.150 187 D CA -0.224 53.703 54.000 -0.121 0.000 0.870 187 D CB 1.269 41.999 40.800 -0.116 0.000 1.153 187 D HN 0.395 nan 8.370 nan 0.000 0.457 188 V N 2.239 121.964 119.914 -0.314 0.000 3.406 188 V HA -0.007 4.113 4.120 -0.001 0.000 0.263 188 V C 1.737 177.518 176.094 -0.522 0.000 1.172 188 V CA 0.394 62.392 62.300 -0.504 0.000 1.140 188 V CB -0.158 31.318 31.823 -0.578 0.000 0.784 188 V HN 0.395 nan 8.190 nan 0.000 0.467 189 V N 1.149 120.868 119.914 -0.326 0.000 2.307 189 V HA -0.034 4.086 4.120 -0.001 0.000 0.245 189 V C 0.432 176.375 176.094 -0.252 0.000 1.045 189 V CA 2.675 64.837 62.300 -0.231 0.000 1.024 189 V CB -1.497 30.240 31.823 -0.143 0.000 0.651 189 V HN 0.519 nan 8.190 nan 0.000 0.449 190 P HA -0.139 nan 4.420 nan 0.000 0.218 190 P C 1.821 178.960 177.300 -0.268 0.000 1.149 190 P CA 1.568 64.548 63.100 -0.200 0.000 0.817 190 P CB -0.117 31.492 31.700 -0.152 0.000 0.785 191 M N -1.735 117.602 119.600 -0.438 0.000 2.132 191 M HA -0.117 4.363 4.480 -0.001 0.000 0.263 191 M C 2.008 177.966 176.300 -0.571 0.000 1.065 191 M CA 1.509 56.448 55.300 -0.603 0.000 1.122 191 M CB -0.916 31.031 32.600 -1.088 0.000 1.365 191 M HN -0.053 nan 8.290 nan 0.000 0.411 192 L N 0.277 121.131 121.223 -0.616 0.000 2.109 192 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 192 L C 2.425 179.204 176.870 -0.152 0.000 1.086 192 L CA 1.810 56.489 54.840 -0.268 0.000 0.760 192 L CB -0.666 41.243 42.059 -0.250 0.000 0.910 192 L HN 0.218 nan 8.230 nan 0.000 0.437 193 Q N 0.025 119.722 119.800 -0.172 0.000 2.079 193 Q HA -0.208 4.132 4.340 -0.001 0.000 0.200 193 Q C 2.173 178.123 176.000 -0.084 0.000 0.974 193 Q CA 1.874 57.610 55.803 -0.111 0.000 0.840 193 Q CB -0.099 28.577 28.738 -0.104 0.000 0.898 193 Q HN 0.474 nan 8.270 nan 0.000 0.430 194 K N -0.435 119.910 120.400 -0.092 0.000 2.044 194 K HA -0.183 4.136 4.320 -0.001 0.000 0.210 194 K C 2.161 178.745 176.600 -0.027 0.000 1.049 194 K CA 1.569 57.822 56.287 -0.057 0.000 0.927 194 K CB -0.031 32.432 32.500 -0.062 0.000 0.713 194 K HN 0.234 nan 8.250 nan 0.000 0.443 195 Q N 0.359 120.155 119.800 -0.006 0.000 2.167 195 Q HA -0.054 4.285 4.340 -0.001 0.000 0.202 195 Q C 2.159 178.159 176.000 -0.001 0.000 0.970 195 Q CA 1.131 56.949 55.803 0.025 0.000 0.855 195 Q CB -0.098 28.693 28.738 0.088 0.000 0.911 195 Q HN 0.415 nan 8.270 nan 0.000 0.438 196 I N 0.402 120.958 120.570 -0.023 0.000 2.252 196 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 196 I C 1.993 178.091 176.117 -0.032 0.000 1.102 196 I CA 1.266 62.545 61.300 -0.035 0.000 1.385 196 I CB -0.221 37.749 38.000 -0.051 0.000 1.064 196 I HN 0.128 nan 8.210 nan 0.000 0.414 197 T N 0.207 114.741 114.554 -0.034 0.000 2.867 197 T HA -0.146 4.204 4.350 -0.001 0.000 0.268 197 T C 1.906 176.592 174.700 -0.023 0.000 1.057 197 T CA 0.951 63.032 62.100 -0.032 0.000 1.136 197 T CB -0.106 68.741 68.868 -0.035 0.000 0.874 197 T HN 0.240 nan 8.240 nan 0.000 0.466 198 K N 0.897 121.287 120.400 -0.016 0.000 2.103 198 K HA -0.053 4.267 4.320 -0.001 0.000 0.207 198 K C 2.011 178.606 176.600 -0.009 0.000 1.048 198 K CA 1.028 57.310 56.287 -0.009 0.000 0.930 198 K CB -0.016 32.485 32.500 0.001 0.000 0.716 198 K HN 0.275 nan 8.250 nan 0.000 0.444 199 R N 0.563 121.056 120.500 -0.012 0.000 2.356 199 R HA 0.107 4.446 4.340 -0.001 0.000 0.234 199 R C -0.114 176.176 176.300 -0.017 0.000 0.929 199 R CA -0.011 56.082 56.100 -0.013 0.000 1.084 199 R CB 0.021 30.312 30.300 -0.015 0.000 1.105 199 R HN 0.203 nan 8.270 nan 0.000 0.515 200 N N 0.896 119.583 118.700 -0.021 0.000 2.741 200 N HA -0.176 4.563 4.740 -0.001 0.000 0.250 200 N C -0.600 174.891 175.510 -0.033 0.000 1.115 200 N CA 0.980 54.015 53.050 -0.025 0.000 0.724 200 N CB -1.450 37.024 38.487 -0.021 0.000 1.090 200 N HN 0.292 nan 8.380 nan 0.000 0.558 201 I N 1.478 122.026 120.570 -0.036 0.000 2.395 201 I HA 0.194 4.364 4.170 -0.001 0.000 0.289 201 I C -1.557 174.526 176.117 -0.057 0.000 1.023 201 I CA -1.623 59.650 61.300 -0.045 0.000 1.350 201 I CB 0.839 38.815 38.000 -0.040 0.000 1.409 201 I HN -0.163 nan 8.210 nan 0.000 0.507 202 P HA 0.381 nan 4.420 nan 0.000 0.219 202 P C -0.552 176.692 177.300 -0.094 0.000 1.832 202 P CA 0.139 63.190 63.100 -0.082 0.000 1.014 202 P CB -0.134 31.511 31.700 -0.092 0.000 1.939 203 I N 0.905 121.430 120.570 -0.074 0.000 2.509 203 I HA 0.366 4.535 4.170 -0.001 0.000 0.293 203 I C 0.120 176.207 176.117 -0.051 0.000 1.020 203 I CA -0.809 60.452 61.300 -0.065 0.000 1.088 203 I CB 2.546 40.513 38.000 -0.055 0.000 1.267 203 I HN -0.091 nan 8.210 nan 0.000 0.430 204 E N 5.172 125.350 120.200 -0.037 0.000 2.176 204 E HA 0.375 4.725 4.350 -0.001 0.000 0.267 204 E C -1.158 175.432 176.600 -0.017 0.000 0.893 204 E CA -0.752 55.630 56.400 -0.030 0.000 0.761 204 E CB 2.002 31.690 29.700 -0.021 0.000 1.133 204 E HN 0.230 nan 8.360 nan 0.000 0.409 205 V N 4.570 124.467 119.914 -0.028 0.000 2.470 205 V HA 0.155 4.274 4.120 -0.001 0.000 0.276 205 V C 0.922 177.015 176.094 -0.002 0.000 1.040 205 V CA -0.168 62.125 62.300 -0.013 0.000 1.008 205 V CB 1.129 32.934 31.823 -0.030 0.000 0.990 205 V HN 0.589 nan 8.190 nan 0.000 0.477 206 V N 3.623 123.549 119.914 0.021 0.000 3.398 206 V HA 0.640 4.760 4.120 -0.001 0.000 0.298 206 V C 0.509 176.613 176.094 0.018 0.000 1.496 206 V CA 0.898 63.206 62.300 0.014 0.000 1.044 206 V CB 0.712 32.553 31.823 0.030 0.000 0.880 206 V HN 0.977 nan 8.190 nan 0.000 0.443 207 A N 0.725 123.568 122.820 0.038 0.000 2.547 207 A HA 0.757 5.076 4.320 -0.001 0.000 0.297 207 A C -2.097 175.530 177.584 0.071 0.000 1.056 207 A CA -0.302 51.760 52.037 0.042 0.000 0.688 207 A CB 2.090 21.112 19.000 0.036 0.000 1.282 207 A HN 0.094 nan 8.150 nan 0.000 0.400 208 L N 4.141 125.390 121.223 0.044 0.000 2.404 208 L HA 0.826 5.165 4.340 -0.001 0.000 0.272 208 L C -1.012 175.868 176.870 0.017 0.000 0.980 208 L CA -0.460 54.391 54.840 0.018 0.000 0.836 208 L CB 0.809 42.830 42.059 -0.063 0.000 1.238 208 L HN 0.907 nan 8.230 nan 0.000 0.408 209 I N 1.847 122.428 120.570 0.019 0.000 3.239 209 I HA 0.592 4.762 4.170 -0.001 0.000 0.314 209 I C -0.707 175.408 176.117 -0.003 0.000 1.126 209 I CA -0.905 60.399 61.300 0.006 0.000 0.973 209 I CB 2.236 40.233 38.000 -0.005 0.000 1.252 209 I HN 0.611 nan 8.210 nan 0.000 0.463 210 N N 2.124 120.806 118.700 -0.030 0.000 2.473 210 N HA 0.066 4.806 4.740 -0.001 0.000 0.291 210 N C 0.402 175.877 175.510 -0.058 0.000 1.083 210 N CA -0.134 52.885 53.050 -0.050 0.000 0.951 210 N CB 1.571 40.018 38.487 -0.066 0.000 1.164 210 N HN 0.921 nan 8.380 nan 0.000 0.480 211 D N 2.173 122.537 120.400 -0.061 0.000 2.218 211 D HA -0.147 4.493 4.640 -0.001 0.000 0.204 211 D C 0.748 177.011 176.300 -0.061 0.000 0.976 211 D CA 1.330 55.300 54.000 -0.051 0.000 0.853 211 D CB -0.110 40.660 40.800 -0.049 0.000 0.939 211 D HN 0.498 nan 8.370 nan 0.000 0.481 212 T N 0.051 114.555 114.554 -0.084 0.000 2.857 212 T HA -0.147 4.203 4.350 -0.001 0.000 0.266 212 T C 2.040 176.679 174.700 -0.102 0.000 1.048 212 T CA 1.934 63.974 62.100 -0.099 0.000 1.139 212 T CB -0.503 68.287 68.868 -0.131 0.000 0.874 212 T HN 0.397 nan 8.240 nan 0.000 0.455 213 T N 0.788 115.274 114.554 -0.114 0.000 2.995 213 T HA 0.046 4.396 4.350 -0.001 0.000 0.269 213 T C 2.178 176.815 174.700 -0.105 0.000 1.091 213 T CA 1.541 63.557 62.100 -0.140 0.000 1.128 213 T CB -0.634 68.127 68.868 -0.179 0.000 0.891 213 T HN 0.401 nan 8.240 nan 0.000 0.492 214 G N 0.328 109.087 108.800 -0.068 0.000 2.421 214 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.217 214 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.217 214 G C 1.703 176.594 174.900 -0.016 0.000 1.143 214 G CA 1.159 46.233 45.100 -0.044 0.000 0.784 214 G HN 0.523 nan 8.290 nan 0.000 0.541 215 T N 1.330 115.873 114.554 -0.019 0.000 2.684 215 T HA -0.177 4.172 4.350 -0.001 0.000 0.267 215 T C 2.245 176.970 174.700 0.042 0.000 1.036 215 T CA 1.358 63.464 62.100 0.010 0.000 1.148 215 T CB -0.259 68.598 68.868 -0.019 0.000 0.863 215 T HN 0.174 nan 8.240 nan 0.000 0.436 216 L N 1.390 122.622 121.223 0.014 0.000 1.989 216 L HA -0.065 4.275 4.340 -0.001 0.000 0.211 216 L C 2.423 179.380 176.870 0.144 0.000 1.071 216 L CA 1.709 56.584 54.840 0.058 0.000 0.749 216 L CB -0.767 41.259 42.059 -0.056 0.000 0.890 216 L HN 0.101 nan 8.230 nan 0.000 0.431 217 V N 0.182 120.140 119.914 0.074 0.000 2.358 217 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 217 V C 2.798 179.021 176.094 0.214 0.000 1.047 217 V CA 1.513 63.902 62.300 0.147 0.000 1.035 217 V CB -1.530 30.318 31.823 0.041 0.000 0.658 217 V HN 0.608 nan 8.190 nan 0.000 0.452 218 A N 0.001 122.907 122.820 0.143 0.000 1.969 218 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 218 A C 2.444 180.225 177.584 0.329 0.000 1.169 218 A CA 1.970 54.119 52.037 0.186 0.000 0.635 218 A CB -0.536 18.502 19.000 0.063 0.000 0.810 218 A HN 0.521 nan 8.150 nan 0.000 0.445 219 S N -1.663 114.197 115.700 0.267 0.000 2.406 219 S HA -0.115 4.355 4.470 -0.001 0.000 0.228 219 S C 1.775 176.535 174.600 0.266 0.000 1.020 219 S CA 1.136 59.486 58.200 0.251 0.000 0.965 219 S CB -0.537 62.774 63.200 0.185 0.000 0.798 219 S HN 0.664 nan 8.310 nan 0.000 0.488 220 Y N 1.056 121.481 120.300 0.209 0.000 2.224 220 Y HA -0.211 4.339 4.550 -0.001 0.000 0.289 220 Y C 2.195 178.212 175.900 0.195 0.000 1.146 220 Y CA 1.299 59.517 58.100 0.195 0.000 1.182 220 Y CB -0.532 38.093 38.460 0.275 0.000 0.983 220 Y HN 0.304 nan 8.280 nan 0.000 0.524 221 Y N 0.552 121.058 120.300 0.342 0.000 2.151 221 Y HA -0.300 4.250 4.550 -0.001 0.000 0.284 221 Y C 2.639 178.633 175.900 0.156 0.000 1.166 221 Y CA 2.525 60.780 58.100 0.258 0.000 1.163 221 Y CB -0.627 37.992 38.460 0.266 0.000 0.974 221 Y HN 0.244 nan 8.280 nan 0.000 0.511 222 T N -3.136 111.543 114.554 0.207 0.000 3.065 222 T HA 0.070 4.419 4.350 -0.001 0.000 0.252 222 T C 0.026 174.698 174.700 -0.047 0.000 1.099 222 T CA 0.548 62.668 62.100 0.033 0.000 1.063 222 T CB 0.083 69.007 68.868 0.093 0.000 0.948 222 T HN 0.267 nan 8.240 nan 0.000 0.506 223 D N 1.479 121.838 120.400 -0.068 0.000 2.323 223 D HA 0.282 4.921 4.640 -0.001 0.000 0.242 223 D C -2.535 173.542 176.300 -0.372 0.000 1.347 223 D CA -2.175 51.738 54.000 -0.145 0.000 0.988 223 D CB 2.099 42.897 40.800 -0.003 0.000 1.314 223 D HN -0.075 nan 8.370 nan 0.000 0.564 224 P HA 0.025 nan 4.420 nan 0.000 0.242 224 P C 0.417 177.285 177.300 -0.721 0.000 1.197 224 P CA 0.404 62.951 63.100 -0.922 0.000 0.765 224 P CB 0.452 31.795 31.700 -0.596 0.000 0.936 225 E N -0.489 119.399 120.200 -0.520 0.000 2.489 225 E HA 0.034 4.384 4.350 -0.001 0.000 0.193 225 E C 0.189 176.611 176.600 -0.296 0.000 1.057 225 E CA 0.278 56.397 56.400 -0.469 0.000 0.866 225 E CB -0.481 28.754 29.700 -0.776 0.000 0.916 225 E HN 0.181 nan 8.360 nan 0.000 0.500 226 T N 2.670 117.101 114.554 -0.206 0.000 2.792 226 T HA 0.022 4.371 4.350 -0.001 0.000 0.286 226 T C 1.096 175.865 174.700 0.116 0.000 0.970 226 T CA 0.324 62.449 62.100 0.040 0.000 1.187 226 T CB 0.629 69.588 68.868 0.151 0.000 0.915 226 T HN -0.047 nan 8.240 nan 0.000 0.529 227 K N 2.497 122.933 120.400 0.059 0.000 2.367 227 K HA 0.357 4.676 4.320 -0.001 0.000 0.195 227 K C 0.400 177.116 176.600 0.193 0.000 1.060 227 K CA 0.263 56.535 56.287 -0.026 0.000 1.022 227 K CB 0.630 32.991 32.500 -0.232 0.000 0.894 227 K HN 0.581 nan 8.250 nan 0.000 0.540 228 M N -0.822 118.892 119.600 0.189 0.000 2.643 228 M HA 0.376 4.855 4.480 -0.001 0.000 0.276 228 M C -1.579 174.790 176.300 0.115 0.000 1.200 228 M CA -0.626 54.785 55.300 0.185 0.000 0.863 228 M CB 2.498 35.203 32.600 0.176 0.000 1.711 228 M HN 0.057 nan 8.290 nan 0.000 0.492 229 G N 1.624 110.460 108.800 0.060 0.000 2.470 229 G HA2 0.700 4.659 3.960 -0.001 0.000 0.320 229 G HA3 0.700 4.659 3.960 -0.001 0.000 0.320 229 G C -1.521 173.336 174.900 -0.070 0.000 1.245 229 G CA -0.554 44.545 45.100 -0.001 0.000 0.935 229 G HN 0.783 nan 8.290 nan 0.000 0.476 230 V N 0.308 120.133 119.914 -0.149 0.000 2.841 230 V HA 0.651 4.770 4.120 -0.001 0.000 0.310 230 V C -0.773 175.074 176.094 -0.411 0.000 1.090 230 V CA -1.225 60.898 62.300 -0.294 0.000 0.930 230 V CB 1.947 33.503 31.823 -0.445 0.000 1.014 230 V HN 0.580 nan 8.190 nan 0.000 0.425 231 I N 3.743 124.064 120.570 -0.415 0.000 2.406 231 I HA 0.531 4.701 4.170 -0.001 0.000 0.290 231 I C -1.190 174.706 176.117 -0.369 0.000 0.999 231 I CA -0.367 60.749 61.300 -0.307 0.000 1.124 231 I CB 1.584 39.502 38.000 -0.136 0.000 1.289 231 I HN 0.606 nan 8.210 nan 0.000 0.441 232 F N 4.757 124.736 119.950 0.048 0.000 2.363 232 F HA 0.622 5.148 4.527 -0.001 0.000 0.366 232 F C 0.738 176.523 175.800 -0.026 0.000 1.083 232 F CA -0.545 57.472 58.000 0.027 0.000 1.176 232 F CB 1.286 40.273 39.000 -0.023 0.000 1.432 232 F HN 0.532 nan 8.300 nan 0.000 0.482 233 G N 0.275 109.156 108.800 0.136 0.000 3.259 233 G HA2 0.231 4.190 3.960 -0.001 0.000 0.178 233 G HA3 0.231 4.190 3.960 -0.001 0.000 0.178 233 G C 0.749 175.696 174.900 0.078 0.000 1.129 233 G CA -0.147 45.001 45.100 0.080 0.000 0.816 233 G HN 0.181 nan 8.290 nan 0.000 0.634 234 T N 0.483 115.064 114.554 0.046 0.000 2.708 234 T HA 0.130 4.480 4.350 -0.001 0.000 0.266 234 T C 1.345 176.041 174.700 -0.007 0.000 1.037 234 T CA 1.481 63.587 62.100 0.010 0.000 1.146 234 T CB -0.529 68.295 68.868 -0.073 0.000 0.865 234 T HN 0.640 nan 8.240 nan 0.000 0.435 235 G N 0.663 109.462 108.800 -0.003 0.000 2.488 235 G HA2 0.551 4.511 3.960 -0.001 0.000 0.318 235 G HA3 0.551 4.511 3.960 -0.001 0.000 0.318 235 G C -0.885 174.065 174.900 0.083 0.000 1.188 235 G CA -0.499 44.619 45.100 0.030 0.000 0.944 235 G HN 0.433 nan 8.290 nan 0.000 0.495 236 V N -1.460 118.533 119.914 0.132 0.000 2.823 236 V HA 0.869 4.988 4.120 -0.001 0.000 0.312 236 V C -0.647 175.552 176.094 0.176 0.000 1.072 236 V CA -1.092 61.324 62.300 0.193 0.000 0.937 236 V CB 1.573 33.580 31.823 0.307 0.000 1.013 236 V HN 0.996 nan 8.190 nan 0.000 0.430 237 N N 0.803 119.535 118.700 0.053 0.000 3.265 237 N HA 0.639 5.379 4.740 -0.001 0.000 0.235 237 N C -0.910 174.337 175.510 -0.437 0.000 1.343 237 N CA -0.121 52.768 53.050 -0.268 0.000 0.904 237 N CB 2.125 40.501 38.487 -0.185 0.000 1.492 237 N HN 1.343 nan 8.380 nan 0.000 0.504 238 G N 0.049 108.392 108.800 -0.762 0.000 2.696 238 G HA2 0.807 4.767 3.960 -0.001 0.000 0.295 238 G HA3 0.807 4.767 3.960 -0.001 0.000 0.295 238 G C -1.846 172.919 174.900 -0.225 0.000 1.398 238 G CA -0.366 44.510 45.100 -0.372 0.000 0.920 238 G HN 0.604 nan 8.290 nan 0.000 0.492 239 A N 0.252 123.026 122.820 -0.076 0.000 2.475 239 A HA 0.961 5.281 4.320 -0.001 0.000 0.301 239 A C -1.133 176.498 177.584 0.078 0.000 1.059 239 A CA -0.751 51.257 52.037 -0.048 0.000 0.710 239 A CB 1.497 20.404 19.000 -0.154 0.000 1.288 239 A HN 2.025 nan 8.150 nan 0.000 0.408 240 Y N -1.104 119.126 120.300 -0.115 0.000 2.705 240 Y HA 0.756 5.306 4.550 -0.001 0.000 0.332 240 Y C -1.885 173.955 175.900 -0.101 0.000 1.221 240 Y CA -1.919 56.166 58.100 -0.025 0.000 1.059 240 Y CB 0.704 39.239 38.460 0.125 0.000 1.298 240 Y HN 0.517 nan 8.280 nan 0.000 0.459 241 Y N 2.174 122.507 120.300 0.054 0.000 2.341 241 Y HA 0.335 4.884 4.550 -0.001 0.000 0.340 241 Y C 0.392 176.285 175.900 -0.012 0.000 0.997 241 Y CA -0.139 57.897 58.100 -0.106 0.000 1.149 241 Y CB 0.848 39.331 38.460 0.039 0.000 1.171 241 Y HN 0.722 nan 8.280 nan 0.000 0.494 242 D N 1.101 121.446 120.400 -0.091 0.000 2.511 242 D HA 0.552 5.191 4.640 -0.001 0.000 0.283 242 D C -1.176 175.164 176.300 0.067 0.000 1.198 242 D CA -0.195 53.848 54.000 0.072 0.000 1.097 242 D CB 1.686 42.480 40.800 -0.011 0.000 1.160 242 D HN 0.225 nan 8.370 nan 0.000 0.589 243 V N 0.507 120.446 119.914 0.041 0.000 2.686 243 V HA 0.116 4.235 4.120 -0.001 0.000 0.306 243 V C 1.097 177.190 176.094 -0.002 0.000 1.065 243 V CA -0.794 61.523 62.300 0.028 0.000 0.894 243 V CB 1.688 33.545 31.823 0.058 0.000 1.004 243 V HN 0.791 nan 8.190 nan 0.000 0.424 244 C N 1.770 121.061 119.300 -0.016 0.000 2.422 244 C HA -0.120 4.339 4.460 -0.001 0.000 0.279 244 C C 2.839 177.828 174.990 -0.001 0.000 1.305 244 C CA 1.514 60.521 59.018 -0.017 0.000 1.757 244 C CB -0.928 26.807 27.740 -0.008 0.000 1.962 244 C HN 1.048 nan 8.230 nan 0.000 0.499 245 S N 0.709 116.414 115.700 0.008 0.000 2.474 245 S HA -0.123 4.347 4.470 -0.001 0.000 0.235 245 S C 0.839 175.447 174.600 0.012 0.000 0.997 245 S CA 1.444 59.651 58.200 0.012 0.000 0.949 245 S CB -0.401 62.808 63.200 0.016 0.000 0.766 245 S HN 0.559 nan 8.310 nan 0.000 0.517 246 D N 1.137 121.544 120.400 0.013 0.000 2.328 246 D HA 0.296 4.936 4.640 -0.001 0.000 0.221 246 D C -0.099 176.206 176.300 0.009 0.000 1.072 246 D CA 0.158 54.167 54.000 0.015 0.000 0.850 246 D CB 0.079 40.895 40.800 0.026 0.000 0.922 246 D HN 0.497 nan 8.370 nan 0.000 0.516 247 I N 1.137 121.706 120.570 -0.001 0.000 2.442 247 I HA 0.099 4.268 4.170 -0.001 0.000 0.279 247 I C 1.554 177.669 176.117 -0.003 0.000 1.081 247 I CA -0.311 60.983 61.300 -0.011 0.000 1.197 247 I CB 1.350 39.325 38.000 -0.042 0.000 1.394 247 I HN -0.183 nan 8.210 nan 0.000 0.488 248 E N 5.828 126.031 120.200 0.003 0.000 2.114 248 E HA -0.265 4.084 4.350 -0.001 0.000 0.199 248 E C 1.894 178.500 176.600 0.010 0.000 1.008 248 E CA 1.763 58.168 56.400 0.008 0.000 0.810 248 E CB 0.234 29.939 29.700 0.008 0.000 0.739 248 E HN 0.685 nan 8.360 nan 0.000 0.456 249 K N 0.089 120.494 120.400 0.008 0.000 2.504 249 K HA -0.081 4.239 4.320 -0.001 0.000 0.195 249 K C 1.705 178.322 176.600 0.028 0.000 1.036 249 K CA 0.785 57.081 56.287 0.015 0.000 0.984 249 K CB 0.043 32.550 32.500 0.011 0.000 0.788 249 K HN 0.241 nan 8.250 nan 0.000 0.488 250 L N 1.116 122.357 121.223 0.029 0.000 2.640 250 L HA 0.118 4.457 4.340 -0.001 0.000 0.230 250 L C 0.327 177.224 176.870 0.046 0.000 1.123 250 L CA -0.219 54.654 54.840 0.056 0.000 0.900 250 L CB 0.160 42.248 42.059 0.048 0.000 1.146 250 L HN 0.228 nan 8.230 nan 0.000 0.484 251 Q N 0.676 120.494 119.800 0.029 0.000 2.264 251 Q HA 0.059 4.399 4.340 -0.001 0.000 0.296 251 Q C 1.184 177.199 176.000 0.024 0.000 1.103 251 Q CA 0.998 56.815 55.803 0.023 0.000 0.967 251 Q CB 0.178 28.926 28.738 0.017 0.000 1.090 251 Q HN 0.430 nan 8.270 nan 0.000 0.379 252 G N 2.907 111.720 108.800 0.023 0.000 2.159 252 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.256 252 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.256 252 G C 0.458 175.371 174.900 0.021 0.000 0.977 252 G CA 0.311 45.421 45.100 0.018 0.000 0.652 252 G HN 0.620 nan 8.290 nan 0.000 0.531 253 K N -1.133 119.289 120.400 0.035 0.000 2.402 253 K HA 0.388 4.707 4.320 -0.001 0.000 0.204 253 K C -0.060 176.567 176.600 0.046 0.000 1.056 253 K CA -0.277 56.034 56.287 0.040 0.000 1.069 253 K CB 1.057 33.597 32.500 0.066 0.000 0.888 253 K HN 0.236 nan 8.250 nan 0.000 0.546 254 L N 2.035 123.287 121.223 0.048 0.000 2.313 254 L HA 0.221 4.561 4.340 -0.001 0.000 0.283 254 L C 0.452 177.336 176.870 0.024 0.000 1.013 254 L CA -0.500 54.372 54.840 0.053 0.000 0.816 254 L CB 1.565 43.665 42.059 0.069 0.000 1.236 254 L HN 0.059 nan 8.230 nan 0.000 0.419 255 S N 1.401 117.108 115.700 0.011 0.000 2.600 255 S HA 0.103 4.572 4.470 -0.001 0.000 0.265 255 S C 0.739 175.343 174.600 0.007 0.000 1.325 255 S CA -0.355 57.846 58.200 0.001 0.000 1.002 255 S CB 0.527 63.720 63.200 -0.012 0.000 0.921 255 S HN 0.610 nan 8.310 nan 0.000 0.554 256 D N 0.923 121.324 120.400 0.003 0.000 2.351 256 D HA -0.071 4.569 4.640 -0.001 0.000 0.216 256 D C 1.082 177.386 176.300 0.006 0.000 0.968 256 D CA 1.201 55.204 54.000 0.005 0.000 0.899 256 D CB -0.374 40.427 40.800 0.003 0.000 0.907 256 D HN 0.845 nan 8.370 nan 0.000 0.514 257 D N -0.153 120.250 120.400 0.004 0.000 2.336 257 D HA -0.063 4.576 4.640 -0.001 0.000 0.229 257 D C 0.430 176.735 176.300 0.009 0.000 1.061 257 D CA -0.095 53.908 54.000 0.005 0.000 0.875 257 D CB -0.334 40.467 40.800 0.002 0.000 0.904 257 D HN 0.182 nan 8.370 nan 0.000 0.525 258 I N 1.786 122.364 120.570 0.013 0.000 2.337 258 I HA 0.244 4.414 4.170 -0.001 0.000 0.285 258 I C -2.186 173.939 176.117 0.014 0.000 1.041 258 I CA -2.257 59.053 61.300 0.017 0.000 1.199 258 I CB 1.310 39.329 38.000 0.031 0.000 1.370 258 I HN -0.287 nan 8.210 nan 0.000 0.470 259 P HA 0.082 nan 4.420 nan 0.000 0.266 259 P C -1.920 175.387 177.300 0.012 0.000 1.195 259 P CA -1.110 61.996 63.100 0.011 0.000 0.768 259 P CB -0.062 31.645 31.700 0.012 0.000 0.838 260 P HA -0.179 nan 4.420 nan 0.000 0.216 260 P C 1.078 178.387 177.300 0.015 0.000 1.150 260 P CA 1.647 64.756 63.100 0.014 0.000 0.843 260 P CB -0.280 31.429 31.700 0.015 0.000 0.787 261 S N -1.616 114.095 115.700 0.018 0.000 2.650 261 S HA 0.309 4.778 4.470 -0.001 0.000 0.219 261 S C 1.025 175.636 174.600 0.018 0.000 0.960 261 S CA -0.233 57.982 58.200 0.026 0.000 0.925 261 S CB -0.940 62.281 63.200 0.034 0.000 0.775 261 S HN 0.196 nan 8.310 nan 0.000 0.525 262 A N 3.244 126.063 122.820 -0.002 0.000 2.483 262 A HA 0.522 4.842 4.320 -0.001 0.000 0.238 262 A C -2.139 175.403 177.584 -0.071 0.000 1.070 262 A CA -1.309 50.706 52.037 -0.036 0.000 0.770 262 A CB -0.235 18.744 19.000 -0.034 0.000 1.008 262 A HN 0.407 nan 8.150 nan 0.000 0.497 263 P HA 0.372 nan 4.420 nan 0.000 0.274 263 P C -0.744 176.471 177.300 -0.142 0.000 1.231 263 P CA -0.170 62.781 63.100 -0.248 0.000 0.790 263 P CB 0.786 31.985 31.700 -0.836 0.000 0.951 264 M N 2.026 121.579 119.600 -0.079 0.000 2.149 264 M HA 0.544 5.023 4.480 -0.001 0.000 0.273 264 M C -1.158 174.997 176.300 -0.241 0.000 0.972 264 M CA -0.793 54.417 55.300 -0.150 0.000 0.984 264 M CB 1.290 33.769 32.600 -0.201 0.000 1.699 264 M HN 0.379 nan 8.290 nan 0.000 0.462 265 A N 5.754 128.370 122.820 -0.341 0.000 2.520 265 A HA 0.537 4.856 4.320 -0.001 0.000 0.245 265 A C -0.444 176.819 177.584 -0.535 0.000 1.072 265 A CA 0.046 51.722 52.037 -0.600 0.000 0.761 265 A CB -0.250 18.376 19.000 -0.623 0.000 1.004 265 A HN 0.784 nan 8.150 nan 0.000 0.499 266 I N 2.842 123.045 120.570 -0.613 0.000 2.406 266 I HA 0.195 4.365 4.170 -0.001 0.000 0.290 266 I C 0.245 176.150 176.117 -0.352 0.000 0.999 266 I CA -0.227 60.768 61.300 -0.507 0.000 1.124 266 I CB 1.544 39.173 38.000 -0.619 0.000 1.289 266 I HN 0.854 nan 8.210 nan 0.000 0.441 267 N N 5.245 123.790 118.700 -0.259 0.000 2.558 267 N HA 0.123 4.862 4.740 -0.001 0.000 0.233 267 N C 0.842 176.276 175.510 -0.128 0.000 1.038 267 N CA -0.503 52.436 53.050 -0.184 0.000 0.934 267 N CB 0.937 39.327 38.487 -0.162 0.000 1.175 267 N HN 0.621 nan 8.380 nan 0.000 0.512 268 C N 1.676 120.914 119.300 -0.104 0.000 2.432 268 C HA -0.027 4.432 4.460 -0.001 0.000 0.277 268 C C 0.832 175.808 174.990 -0.023 0.000 1.249 268 C CA 0.155 59.159 59.018 -0.023 0.000 1.725 268 C CB -0.880 26.878 27.740 0.030 0.000 2.028 268 C HN 0.749 nan 8.230 nan 0.000 0.477 269 E N -0.211 119.926 120.200 -0.105 0.000 2.320 269 E HA -0.202 4.147 4.350 -0.001 0.000 0.234 269 E C -0.109 176.579 176.600 0.146 0.000 1.183 269 E CA 0.657 57.051 56.400 -0.010 0.000 0.713 269 E CB -1.750 27.957 29.700 0.011 0.000 1.226 269 E HN 0.962 nan 8.360 nan 0.000 0.382 270 Y N -2.017 118.394 120.300 0.184 0.000 2.471 270 Y HA 0.503 5.053 4.550 -0.001 0.000 0.321 270 Y C 1.603 177.721 175.900 0.364 0.000 1.195 270 Y CA -0.388 57.856 58.100 0.240 0.000 1.272 270 Y CB -0.751 37.892 38.460 0.305 0.000 1.097 270 Y HN 0.004 nan 8.280 nan 0.000 0.507 271 G N 0.402 109.546 108.800 0.573 0.000 2.509 271 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.218 271 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.218 271 G C 1.375 176.495 174.900 0.366 0.000 1.124 271 G CA 0.745 46.143 45.100 0.496 0.000 0.776 271 G HN 0.516 nan 8.290 nan 0.000 0.547 272 S N -0.238 115.625 115.700 0.272 0.000 2.605 272 S HA 0.252 4.721 4.470 -0.001 0.000 0.217 272 S C 0.576 175.245 174.600 0.115 0.000 0.958 272 S CA -0.840 57.456 58.200 0.160 0.000 0.919 272 S CB -0.293 62.966 63.200 0.099 0.000 0.780 272 S HN 0.178 nan 8.310 nan 0.000 0.507 273 F N 3.986 123.916 119.950 -0.034 0.000 2.623 273 F HA 0.207 4.733 4.527 -0.001 0.000 0.383 273 F C 0.791 176.487 175.800 -0.173 0.000 1.077 273 F CA 0.082 57.895 58.000 -0.312 0.000 1.268 273 F CB -0.374 38.053 39.000 -0.955 0.000 1.053 273 F HN 0.313 nan 8.300 nan 0.000 0.571 274 D N 3.567 123.448 120.400 -0.865 0.000 2.835 274 D HA -0.288 4.351 4.640 -0.001 0.000 0.230 274 D C 0.713 176.740 176.300 -0.455 0.000 1.130 274 D CA 1.241 54.757 54.000 -0.807 0.000 0.738 274 D CB -1.800 38.358 40.800 -1.070 0.000 1.090 274 D HN 0.871 nan 8.370 nan 0.000 0.433 275 N N -0.077 118.409 118.700 -0.357 0.000 2.443 275 N HA -0.152 4.587 4.740 -0.001 0.000 0.184 275 N C 1.577 176.678 175.510 -0.682 0.000 1.037 275 N CA 1.032 53.833 53.050 -0.414 0.000 0.896 275 N CB 0.064 38.432 38.487 -0.198 0.000 0.959 275 N HN 0.491 nan 8.380 nan 0.000 0.442 276 E N 0.781 120.697 120.200 -0.473 0.000 2.427 276 E HA -0.153 4.196 4.350 -0.001 0.000 0.196 276 E C -0.560 175.842 176.600 -0.331 0.000 1.028 276 E CA 0.592 56.781 56.400 -0.352 0.000 0.864 276 E CB -0.695 28.904 29.700 -0.167 0.000 0.813 276 E HN 0.448 nan 8.360 nan 0.000 0.514 277 H N -0.985 118.004 119.070 -0.136 0.000 2.750 277 H HA -0.093 4.463 4.556 -0.001 0.000 0.327 277 H C 0.329 175.569 175.328 -0.147 0.000 1.199 277 H CA 0.239 56.208 56.048 -0.131 0.000 1.149 277 H CB -1.812 27.898 29.762 -0.087 0.000 1.543 277 H HN 0.061 nan 8.280 nan 0.000 0.427 278 V N 0.333 120.163 119.914 -0.141 0.000 3.570 278 V HA -0.007 4.112 4.120 -0.001 0.000 0.257 278 V C 1.635 177.603 176.094 -0.210 0.000 1.272 278 V CA 1.149 63.325 62.300 -0.205 0.000 1.079 278 V CB 1.282 32.905 31.823 -0.333 0.000 0.829 278 V HN 0.549 nan 8.190 nan 0.000 0.454 279 V N -4.051 115.752 119.914 -0.184 0.000 3.165 279 V HA 0.390 4.509 4.120 -0.001 0.000 0.231 279 V C 0.835 176.925 176.094 -0.006 0.000 1.365 279 V CA -0.140 62.108 62.300 -0.087 0.000 1.286 279 V CB -0.108 31.697 31.823 -0.030 0.000 1.081 279 V HN 0.158 nan 8.190 nan 0.000 0.477 280 L N 3.694 124.918 121.223 0.002 0.000 2.543 280 L HA 0.178 4.517 4.340 -0.001 0.000 0.285 280 L C -1.579 175.323 176.870 0.054 0.000 1.236 280 L CA -0.619 54.267 54.840 0.077 0.000 0.871 280 L CB 0.110 42.230 42.059 0.101 0.000 1.121 280 L HN 0.257 nan 8.230 nan 0.000 0.501 281 P HA 0.082 nan 4.420 nan 0.000 0.226 281 P C -0.610 176.711 177.300 0.035 0.000 1.783 281 P CA -0.143 62.983 63.100 0.043 0.000 0.980 281 P CB -0.092 31.643 31.700 0.058 0.000 1.967 282 R N 0.903 121.409 120.500 0.009 0.000 2.401 282 R HA 0.230 4.570 4.340 -0.001 0.000 0.299 282 R C 1.209 177.484 176.300 -0.042 0.000 1.064 282 R CA 0.190 56.283 56.100 -0.010 0.000 1.000 282 R CB 0.358 30.621 30.300 -0.063 0.000 0.973 282 R HN 0.333 nan 8.270 nan 0.000 0.438 283 T N -1.549 112.990 114.554 -0.025 0.000 2.884 283 T HA 0.160 4.509 4.350 -0.001 0.000 0.277 283 T C 1.324 175.944 174.700 -0.133 0.000 0.976 283 T CA -0.954 61.094 62.100 -0.086 0.000 0.956 283 T CB 1.296 70.115 68.868 -0.081 0.000 1.113 283 T HN 0.638 nan 8.240 nan 0.000 0.554 284 K N -0.193 120.043 120.400 -0.274 0.000 2.103 284 K HA -0.220 4.100 4.320 -0.001 0.000 0.207 284 K C 1.595 178.002 176.600 -0.321 0.000 1.048 284 K CA 1.713 57.790 56.287 -0.350 0.000 0.930 284 K CB -0.785 31.420 32.500 -0.491 0.000 0.716 284 K HN 0.657 nan 8.250 nan 0.000 0.444 285 Y N 2.381 122.703 120.300 0.037 0.000 2.293 285 Y HA -0.094 4.455 4.550 -0.001 0.000 0.291 285 Y C 1.974 177.906 175.900 0.053 0.000 1.137 285 Y CA 1.163 59.310 58.100 0.078 0.000 1.202 285 Y CB -0.306 38.261 38.460 0.179 0.000 0.990 285 Y HN 0.177 nan 8.280 nan 0.000 0.537 286 D N -0.087 120.407 120.400 0.157 0.000 2.149 286 D HA -0.128 4.511 4.640 -0.001 0.000 0.201 286 D C 2.125 178.426 176.300 0.002 0.000 0.972 286 D CA 0.983 55.026 54.000 0.072 0.000 0.835 286 D CB -0.006 40.824 40.800 0.049 0.000 0.966 286 D HN 0.240 nan 8.370 nan 0.000 0.476 287 I N 1.506 122.056 120.570 -0.034 0.000 2.179 287 I HA -0.193 3.976 4.170 -0.001 0.000 0.242 287 I C 2.376 178.483 176.117 -0.016 0.000 1.088 287 I CA 1.179 62.441 61.300 -0.062 0.000 1.357 287 I CB -1.456 36.488 38.000 -0.093 0.000 1.051 287 I HN -0.027 nan 8.210 nan 0.000 0.409 288 T N 1.877 116.437 114.554 0.010 0.000 2.746 288 T HA -0.097 4.253 4.350 -0.001 0.000 0.267 288 T C 2.085 176.828 174.700 0.072 0.000 1.039 288 T CA 1.039 63.166 62.100 0.044 0.000 1.142 288 T CB -0.116 68.796 68.868 0.073 0.000 0.866 288 T HN 0.078 nan 8.240 nan 0.000 0.444 289 I N 1.917 122.537 120.570 0.084 0.000 2.118 289 I HA -0.194 3.975 4.170 -0.001 0.000 0.241 289 I C 2.478 178.654 176.117 0.098 0.000 1.070 289 I CA 1.671 63.039 61.300 0.112 0.000 1.327 289 I CB -1.292 36.745 38.000 0.063 0.000 1.034 289 I HN 0.268 nan 8.210 nan 0.000 0.405 290 D N 0.910 121.329 120.400 0.032 0.000 2.123 290 D HA -0.221 4.419 4.640 -0.001 0.000 0.196 290 D C 2.072 178.406 176.300 0.057 0.000 0.992 290 D CA 1.505 55.523 54.000 0.031 0.000 0.833 290 D CB 0.016 40.815 40.800 -0.001 0.000 0.954 290 D HN 0.401 nan 8.370 nan 0.000 0.455 291 E N -0.325 119.903 120.200 0.047 0.000 2.204 291 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 291 E C 1.636 178.280 176.600 0.073 0.000 0.989 291 E CA 0.975 57.405 56.400 0.049 0.000 0.824 291 E CB -0.120 29.599 29.700 0.033 0.000 0.756 291 E HN 0.642 nan 8.360 nan 0.000 0.477 292 E N 1.188 121.450 120.200 0.103 0.000 2.479 292 E HA -0.000 4.349 4.350 -0.001 0.000 0.193 292 E C 0.361 177.052 176.600 0.151 0.000 1.049 292 E CA -0.067 56.409 56.400 0.127 0.000 0.870 292 E CB 0.251 30.040 29.700 0.150 0.000 0.944 292 E HN 0.007 nan 8.360 nan 0.000 0.492 293 S N 0.650 116.440 115.700 0.149 0.000 2.645 293 S HA 0.233 4.703 4.470 -0.001 0.000 0.266 293 S C -1.584 173.074 174.600 0.098 0.000 1.258 293 S CA -1.234 57.058 58.200 0.153 0.000 0.990 293 S CB 1.126 64.431 63.200 0.175 0.000 0.967 293 S HN -0.164 nan 8.310 nan 0.000 0.556 294 P HA -0.048 nan 4.420 nan 0.000 0.217 294 P C 0.050 177.384 177.300 0.057 0.000 1.148 294 P CA 1.220 64.353 63.100 0.054 0.000 0.828 294 P CB 0.042 31.765 31.700 0.037 0.000 0.783 295 R N -1.191 119.350 120.500 0.067 0.000 2.629 295 R HA 0.296 4.635 4.340 -0.001 0.000 0.275 295 R C -2.733 173.607 176.300 0.066 0.000 1.719 295 R CA -1.850 54.287 56.100 0.061 0.000 1.472 295 R CB 1.244 31.579 30.300 0.057 0.000 1.237 295 R HN 0.054 nan 8.270 nan 0.000 0.589 296 P HA -0.003 nan 4.420 nan 0.000 0.264 296 P C 0.866 178.208 177.300 0.069 0.000 1.193 296 P CA 0.986 64.124 63.100 0.064 0.000 0.763 296 P CB 0.873 32.605 31.700 0.054 0.000 0.810 297 G N 1.161 110.016 108.800 0.091 0.000 2.217 297 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.246 297 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.246 297 G C 0.031 174.977 174.900 0.076 0.000 0.990 297 G CA -0.294 44.873 45.100 0.112 0.000 0.627 297 G HN 0.576 nan 8.290 nan 0.000 0.522 298 Q N -0.382 119.460 119.800 0.070 0.000 2.306 298 Q HA 0.623 4.962 4.340 -0.001 0.000 0.269 298 Q C 0.518 176.566 176.000 0.080 0.000 1.053 298 Q CA -0.370 55.470 55.803 0.061 0.000 0.879 298 Q CB 0.675 29.448 28.738 0.059 0.000 1.344 298 Q HN 0.511 nan 8.270 nan 0.000 0.464 299 Q N -0.571 119.283 119.800 0.089 0.000 2.481 299 Q HA -0.221 4.118 4.340 -0.001 0.000 0.272 299 Q C 0.515 176.590 176.000 0.125 0.000 1.157 299 Q CA 0.792 56.667 55.803 0.121 0.000 0.935 299 Q CB -2.013 26.798 28.738 0.122 0.000 1.338 299 Q HN 0.765 nan 8.270 nan 0.000 0.494 300 T N -0.323 114.302 114.554 0.117 0.000 2.635 300 T HA -0.211 4.139 4.350 -0.001 0.000 0.267 300 T C 1.011 175.818 174.700 0.179 0.000 1.040 300 T CA 1.628 63.804 62.100 0.127 0.000 1.156 300 T CB -0.274 68.660 68.868 0.110 0.000 0.863 300 T HN 0.496 nan 8.240 nan 0.000 0.430 301 F N 1.769 121.770 119.950 0.086 0.000 2.186 301 F HA 0.005 4.532 4.527 -0.001 0.000 0.299 301 F C 2.387 178.305 175.800 0.196 0.000 1.090 301 F CA 1.321 59.417 58.000 0.161 0.000 1.307 301 F CB -0.360 38.782 39.000 0.238 0.000 1.019 301 F HN 0.191 nan 8.300 nan 0.000 0.489 302 E N 0.286 120.553 120.200 0.112 0.000 2.077 302 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 302 E C 2.076 178.728 176.600 0.087 0.000 0.989 302 E CA 1.432 57.874 56.400 0.069 0.000 0.800 302 E CB -0.090 29.722 29.700 0.186 0.000 0.746 302 E HN 0.416 nan 8.360 nan 0.000 0.452 303 K N -0.468 119.928 120.400 -0.006 0.000 2.211 303 K HA -0.057 4.263 4.320 -0.001 0.000 0.203 303 K C 1.826 178.317 176.600 -0.181 0.000 1.050 303 K CA 0.941 57.035 56.287 -0.322 0.000 0.945 303 K CB 0.087 32.357 32.500 -0.383 0.000 0.732 303 K HN 0.218 nan 8.250 nan 0.000 0.451 304 M N -0.256 119.312 119.600 -0.052 0.000 2.541 304 M HA 0.015 4.495 4.480 -0.001 0.000 0.252 304 M C 1.705 178.003 176.300 -0.002 0.000 1.125 304 M CA 1.020 56.325 55.300 0.008 0.000 1.091 304 M CB 0.295 32.951 32.600 0.093 0.000 1.420 304 M HN 0.102 nan 8.290 nan 0.000 0.486 305 S N -2.416 113.232 115.700 -0.086 0.000 2.651 305 S HA 0.108 4.578 4.470 -0.001 0.000 0.259 305 S C 0.825 175.458 174.600 0.054 0.000 1.073 305 S CA -0.249 57.899 58.200 -0.086 0.000 1.090 305 S CB 0.188 63.126 63.200 -0.437 0.000 1.042 305 S HN 0.247 nan 8.310 nan 0.000 0.581 306 S N 0.773 116.554 115.700 0.134 0.000 2.576 306 S HA 0.519 4.989 4.470 -0.001 0.000 0.276 306 S C 1.448 176.176 174.600 0.213 0.000 1.339 306 S CA 0.170 58.499 58.200 0.214 0.000 1.039 306 S CB 0.773 64.150 63.200 0.294 0.000 0.902 306 S HN 0.523 nan 8.310 nan 0.000 0.516 307 G N 2.481 111.347 108.800 0.110 0.000 2.471 307 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.219 307 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.219 307 G C 1.020 175.963 174.900 0.072 0.000 1.125 307 G CA 0.694 45.806 45.100 0.020 0.000 0.775 307 G HN 0.912 nan 8.290 nan 0.000 0.548 308 Y N 0.606 120.881 120.300 -0.041 0.000 2.256 308 Y HA -0.175 4.375 4.550 -0.001 0.000 0.288 308 Y C 1.826 177.611 175.900 -0.191 0.000 1.155 308 Y CA 1.350 59.347 58.100 -0.171 0.000 1.203 308 Y CB -0.001 38.240 38.460 -0.365 0.000 0.980 308 Y HN 0.306 nan 8.280 nan 0.000 0.530 309 Y N -1.082 119.268 120.300 0.083 0.000 2.462 309 Y HA 0.107 4.656 4.550 -0.001 0.000 0.261 309 Y C 1.831 177.676 175.900 -0.092 0.000 1.146 309 Y CA 0.036 58.151 58.100 0.024 0.000 1.283 309 Y CB -0.155 38.395 38.460 0.150 0.000 1.090 309 Y HN 0.039 nan 8.280 nan 0.000 0.526 310 L N -0.852 120.390 121.223 0.031 0.000 2.131 310 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 310 L C 2.542 179.370 176.870 -0.069 0.000 1.092 310 L CA 1.406 56.231 54.840 -0.026 0.000 0.759 310 L CB -0.892 41.142 42.059 -0.042 0.000 0.903 310 L HN 0.330 nan 8.230 nan 0.000 0.435 311 G N -0.222 108.528 108.800 -0.083 0.000 2.422 311 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.218 311 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.218 311 G C 1.508 176.253 174.900 -0.258 0.000 1.140 311 G CA 0.702 45.731 45.100 -0.119 0.000 0.775 311 G HN 0.338 nan 8.290 nan 0.000 0.545 312 E N 0.592 120.564 120.200 -0.379 0.000 2.112 312 E HA 0.019 4.368 4.350 -0.001 0.000 0.190 312 E C 2.394 178.823 176.600 -0.285 0.000 0.979 312 E CA 0.425 56.507 56.400 -0.532 0.000 0.814 312 E CB -0.308 28.748 29.700 -1.073 0.000 0.762 312 E HN 0.480 nan 8.360 nan 0.000 0.460 313 I N 0.277 120.747 120.570 -0.166 0.000 2.163 313 I HA -0.246 3.923 4.170 -0.001 0.000 0.243 313 I C 2.290 178.281 176.117 -0.211 0.000 1.085 313 I CA 0.808 62.038 61.300 -0.116 0.000 1.347 313 I CB -0.389 37.566 38.000 -0.075 0.000 1.044 313 I HN 0.226 nan 8.210 nan 0.000 0.408 314 L N 1.118 122.218 121.223 -0.205 0.000 2.013 314 L HA -0.246 4.093 4.340 -0.001 0.000 0.212 314 L C 2.659 179.468 176.870 -0.101 0.000 1.073 314 L CA 1.869 56.604 54.840 -0.175 0.000 0.753 314 L CB -0.733 41.285 42.059 -0.068 0.000 0.890 314 L HN 0.107 nan 8.230 nan 0.000 0.432 315 R N -0.764 119.662 120.500 -0.123 0.000 2.083 315 R HA -0.187 4.153 4.340 -0.001 0.000 0.237 315 R C 2.324 178.576 176.300 -0.081 0.000 1.137 315 R CA 2.202 58.210 56.100 -0.154 0.000 0.951 315 R CB -0.418 29.614 30.300 -0.448 0.000 0.851 315 R HN 0.464 nan 8.270 nan 0.000 0.434 316 L N -0.053 121.103 121.223 -0.112 0.000 2.046 316 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 316 L C 2.736 179.595 176.870 -0.018 0.000 1.077 316 L CA 1.284 56.124 54.840 0.002 0.000 0.747 316 L CB -0.579 41.542 42.059 0.104 0.000 0.896 316 L HN 0.310 nan 8.230 nan 0.000 0.432 317 A N 0.170 122.797 122.820 -0.322 0.000 1.940 317 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 317 A C 2.266 179.871 177.584 0.035 0.000 1.176 317 A CA 1.514 53.367 52.037 -0.306 0.000 0.631 317 A CB -0.682 17.953 19.000 -0.608 0.000 0.814 317 A HN 0.374 nan 8.150 nan 0.000 0.446 318 L N -1.432 119.818 121.223 0.045 0.000 2.093 318 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 318 L C 2.746 179.764 176.870 0.247 0.000 1.085 318 L CA 0.842 55.757 54.840 0.125 0.000 0.755 318 L CB -0.454 41.755 42.059 0.249 0.000 0.904 318 L HN 0.289 nan 8.230 nan 0.000 0.435 319 M N -0.451 119.339 119.600 0.317 0.000 2.159 319 M HA -0.206 4.273 4.480 -0.001 0.000 0.263 319 M C 1.785 178.280 176.300 0.323 0.000 1.063 319 M CA 1.586 57.098 55.300 0.353 0.000 1.110 319 M CB -1.105 31.645 32.600 0.250 0.000 1.374 319 M HN 0.142 nan 8.290 nan 0.000 0.411 320 D N -0.221 120.356 120.400 0.295 0.000 2.104 320 D HA -0.145 4.494 4.640 -0.001 0.000 0.194 320 D C 2.014 178.471 176.300 0.261 0.000 0.994 320 D CA 1.164 55.337 54.000 0.289 0.000 0.830 320 D CB 0.015 41.051 40.800 0.393 0.000 0.959 320 D HN 0.152 nan 8.370 nan 0.000 0.452 321 M N -0.629 119.147 119.600 0.292 0.000 2.159 321 M HA -0.150 4.330 4.480 -0.001 0.000 0.263 321 M C 2.108 178.522 176.300 0.190 0.000 1.063 321 M CA 1.014 56.493 55.300 0.298 0.000 1.110 321 M CB -1.126 31.614 32.600 0.232 0.000 1.374 321 M HN 0.199 nan 8.290 nan 0.000 0.411 322 Y N 1.411 121.741 120.300 0.051 0.000 2.145 322 Y HA -0.181 4.368 4.550 -0.001 0.000 0.286 322 Y C 2.249 178.173 175.900 0.041 0.000 1.145 322 Y CA 1.804 59.929 58.100 0.042 0.000 1.148 322 Y CB -0.395 38.151 38.460 0.144 0.000 0.981 322 Y HN 0.118 nan 8.280 nan 0.000 0.507 323 K N -0.081 120.222 120.400 -0.162 0.000 2.147 323 K HA -0.184 4.135 4.320 -0.001 0.000 0.205 323 K C 1.770 178.225 176.600 -0.243 0.000 1.049 323 K CA 1.739 57.879 56.287 -0.245 0.000 0.936 323 K CB -0.141 32.363 32.500 0.007 0.000 0.722 323 K HN 0.529 nan 8.250 nan 0.000 0.446 324 Q N -0.740 118.949 119.800 -0.184 0.000 2.320 324 Q HA 0.072 4.411 4.340 -0.001 0.000 0.201 324 Q C 0.454 176.086 176.000 -0.613 0.000 0.910 324 Q CA 0.320 55.943 55.803 -0.299 0.000 0.946 324 Q CB 0.899 29.552 28.738 -0.142 0.000 1.062 324 Q HN 0.486 nan 8.270 nan 0.000 0.503 325 G N 0.256 108.764 108.800 -0.487 0.000 2.147 325 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.244 325 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.244 325 G C 0.223 174.879 174.900 -0.407 0.000 1.005 325 G CA 0.136 44.972 45.100 -0.439 0.000 0.713 325 G HN 0.369 nan 8.290 nan 0.000 0.515 326 F N 0.297 120.211 119.950 -0.060 0.000 2.317 326 F HA 0.415 4.941 4.527 -0.001 0.000 0.293 326 F C 1.845 177.614 175.800 -0.052 0.000 1.085 326 F CA 0.850 58.823 58.000 -0.046 0.000 1.390 326 F CB 0.074 39.050 39.000 -0.040 0.000 1.077 326 F HN 0.495 nan 8.300 nan 0.000 0.517 327 I N -6.235 114.388 120.570 0.090 0.000 3.174 327 I HA 0.385 4.555 4.170 -0.001 0.000 0.313 327 I C -0.445 175.743 176.117 0.119 0.000 1.155 327 I CA -1.174 60.104 61.300 -0.035 0.000 0.977 327 I CB 1.816 39.572 38.000 -0.406 0.000 1.248 327 I HN -0.112 nan 8.210 nan 0.000 0.453 328 F N -0.037 119.978 119.950 0.108 0.000 3.093 328 F HA -0.196 4.331 4.527 -0.001 0.000 0.287 328 F C 0.456 176.368 175.800 0.187 0.000 0.882 328 F CA 0.136 58.198 58.000 0.104 0.000 1.063 328 F CB -2.503 36.520 39.000 0.038 0.000 1.097 328 F HN 0.587 nan 8.300 nan 0.000 0.604 329 K N 1.619 122.191 120.400 0.286 0.000 2.472 329 K HA 0.088 4.407 4.320 -0.001 0.000 0.280 329 K C 1.092 177.792 176.600 0.167 0.000 1.028 329 K CA 0.477 56.880 56.287 0.194 0.000 1.045 329 K CB 0.034 32.599 32.500 0.108 0.000 0.902 329 K HN 0.292 nan 8.250 nan 0.000 0.478 330 N N 1.522 120.318 118.700 0.161 0.000 2.782 330 N HA -0.172 4.567 4.740 -0.001 0.000 0.251 330 N C -0.807 174.763 175.510 0.099 0.000 1.101 330 N CA 1.023 54.141 53.050 0.114 0.000 0.764 330 N CB -0.720 37.813 38.487 0.076 0.000 1.122 330 N HN 0.594 nan 8.380 nan 0.000 0.561 331 Q N 0.600 120.471 119.800 0.119 0.000 2.215 331 Q HA 0.339 4.679 4.340 -0.001 0.000 0.256 331 Q C -0.087 175.916 176.000 0.005 0.000 0.972 331 Q CA -0.404 55.418 55.803 0.032 0.000 0.889 331 Q CB 1.388 30.104 28.738 -0.037 0.000 1.281 331 Q HN 0.104 nan 8.270 nan 0.000 0.456 332 D N 1.366 121.751 120.400 -0.026 0.000 2.280 332 D HA 0.151 4.790 4.640 -0.001 0.000 0.243 332 D C 0.000 176.256 176.300 -0.075 0.000 1.129 332 D CA -0.219 53.767 54.000 -0.024 0.000 0.848 332 D CB 0.658 41.458 40.800 -0.000 0.000 1.107 332 D HN 0.383 nan 8.370 nan 0.000 0.471 333 L N 3.373 124.534 121.223 -0.104 0.000 2.791 333 L HA 0.032 4.371 4.340 -0.001 0.000 0.239 333 L C 1.988 178.852 176.870 -0.010 0.000 1.203 333 L CA -0.045 54.728 54.840 -0.112 0.000 1.002 333 L CB -0.308 41.598 42.059 -0.255 0.000 1.295 333 L HN 0.391 nan 8.230 nan 0.000 0.504 334 S N -0.186 115.520 115.700 0.009 0.000 2.382 334 S HA -0.192 4.278 4.470 -0.001 0.000 0.228 334 S C 1.777 176.402 174.600 0.042 0.000 1.027 334 S CA 0.923 59.138 58.200 0.026 0.000 0.991 334 S CB -0.079 63.137 63.200 0.028 0.000 0.823 334 S HN 0.444 nan 8.310 nan 0.000 0.469 335 K N -0.548 119.901 120.400 0.082 0.000 2.305 335 K HA 0.205 4.525 4.320 -0.001 0.000 0.199 335 K C 1.598 178.283 176.600 0.142 0.000 1.047 335 K CA 0.661 57.032 56.287 0.141 0.000 0.976 335 K CB -0.169 32.465 32.500 0.223 0.000 0.765 335 K HN 0.442 nan 8.250 nan 0.000 0.474 336 F N 1.870 121.728 119.950 -0.154 0.000 2.387 336 F HA 0.027 4.554 4.527 -0.001 0.000 0.294 336 F C 0.699 176.329 175.800 -0.283 0.000 1.093 336 F CA 0.410 58.139 58.000 -0.452 0.000 1.420 336 F CB 0.344 39.006 39.000 -0.564 0.000 1.086 336 F HN -0.172 nan 8.300 nan 0.000 0.531 337 D N 2.239 122.560 120.400 -0.132 0.000 2.688 337 D HA 0.127 4.766 4.640 -0.001 0.000 0.228 337 D C -0.834 175.389 176.300 -0.128 0.000 1.116 337 D CA 0.322 54.241 54.000 -0.136 0.000 1.023 337 D CB -0.635 40.157 40.800 -0.014 0.000 1.100 337 D HN 0.178 nan 8.370 nan 0.000 0.487 338 K N 2.224 122.499 120.400 -0.209 0.000 2.589 338 K HA 0.286 4.605 4.320 -0.001 0.000 0.253 338 K C -2.912 173.598 176.600 -0.150 0.000 0.974 338 K CA -1.662 54.553 56.287 -0.120 0.000 0.835 338 K CB 1.915 34.367 32.500 -0.081 0.000 1.272 338 K HN -0.033 nan 8.250 nan 0.000 0.444 339 P HA 0.046 nan 4.420 nan 0.000 0.268 339 P C -0.411 176.935 177.300 0.077 0.000 1.204 339 P CA 0.335 63.418 63.100 -0.028 0.000 0.768 339 P CB 0.031 31.795 31.700 0.106 0.000 0.842 340 F N 0.038 119.900 119.950 -0.146 0.000 3.093 340 F HA -0.205 4.321 4.527 -0.001 0.000 0.287 340 F C 1.654 177.348 175.800 -0.177 0.000 0.882 340 F CA 0.495 58.397 58.000 -0.164 0.000 1.063 340 F CB -2.181 36.753 39.000 -0.110 0.000 1.097 340 F HN 0.123 nan 8.300 nan 0.000 0.604 341 V N 0.043 119.871 119.914 -0.143 0.000 2.667 341 V HA -0.039 4.081 4.120 -0.001 0.000 0.252 341 V C 1.375 177.301 176.094 -0.280 0.000 1.065 341 V CA 1.654 63.870 62.300 -0.141 0.000 1.083 341 V CB -0.018 31.719 31.823 -0.144 0.000 0.692 341 V HN 0.255 nan 8.190 nan 0.000 0.468 342 M N 1.561 120.900 119.600 -0.434 0.000 2.066 342 M HA 0.325 4.805 4.480 -0.001 0.000 0.340 342 M C -0.328 175.791 176.300 -0.302 0.000 1.053 342 M CA -0.585 54.321 55.300 -0.658 0.000 0.983 342 M CB 1.255 33.481 32.600 -0.623 0.000 1.520 342 M HN 0.344 nan 8.290 nan 0.000 0.428 343 D N 1.194 121.536 120.400 -0.098 0.000 2.478 343 D HA 0.238 4.878 4.640 -0.001 0.000 0.274 343 D C 0.843 177.201 176.300 0.096 0.000 1.234 343 D CA -0.485 53.519 54.000 0.007 0.000 1.069 343 D CB 0.247 41.088 40.800 0.067 0.000 1.113 343 D HN 0.432 nan 8.370 nan 0.000 0.571 344 T N -1.018 113.579 114.554 0.071 0.000 2.778 344 T HA -0.207 4.143 4.350 -0.001 0.000 0.269 344 T C 1.784 176.613 174.700 0.214 0.000 1.050 344 T CA 1.950 64.135 62.100 0.142 0.000 1.137 344 T CB -0.644 68.305 68.868 0.135 0.000 0.860 344 T HN 0.585 nan 8.240 nan 0.000 0.468 345 S N 0.212 116.022 115.700 0.184 0.000 2.507 345 S HA -0.053 4.416 4.470 -0.001 0.000 0.235 345 S C 1.589 176.216 174.600 0.044 0.000 0.988 345 S CA 0.268 58.520 58.200 0.086 0.000 0.944 345 S CB -0.595 62.610 63.200 0.009 0.000 0.762 345 S HN 0.506 nan 8.310 nan 0.000 0.526 346 Y N 2.879 123.201 120.300 0.038 0.000 2.114 346 Y HA 0.099 4.649 4.550 -0.001 0.000 0.284 346 Y C -0.198 175.748 175.900 0.076 0.000 1.119 346 Y CA 0.983 59.116 58.100 0.054 0.000 1.108 346 Y CB -1.825 36.678 38.460 0.072 0.000 0.995 346 Y HN 0.254 nan 8.280 nan 0.000 0.491 347 P HA -0.227 nan 4.420 nan 0.000 0.216 347 P C 1.338 178.690 177.300 0.086 0.000 1.153 347 P CA 2.396 65.613 63.100 0.195 0.000 0.858 347 P CB -0.241 31.600 31.700 0.235 0.000 0.789 348 A N 0.504 123.330 122.820 0.011 0.000 1.873 348 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 348 A C 2.447 179.907 177.584 -0.207 0.000 1.193 348 A CA 2.014 53.854 52.037 -0.327 0.000 0.629 348 A CB -1.334 17.498 19.000 -0.280 0.000 0.826 348 A HN 0.075 nan 8.150 nan 0.000 0.447 349 R N -0.822 119.604 120.500 -0.123 0.000 2.096 349 R HA -0.018 4.321 4.340 -0.001 0.000 0.235 349 R C 2.028 178.282 176.300 -0.077 0.000 1.127 349 R CA 1.480 57.508 56.100 -0.120 0.000 0.968 349 R CB -0.448 29.762 30.300 -0.148 0.000 0.861 349 R HN 0.611 nan 8.270 nan 0.000 0.440 350 I N 0.821 121.383 120.570 -0.014 0.000 2.226 350 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 350 I C 2.039 178.143 176.117 -0.022 0.000 1.100 350 I CA 1.404 62.717 61.300 0.022 0.000 1.374 350 I CB -0.230 37.833 38.000 0.105 0.000 1.057 350 I HN 0.214 nan 8.210 nan 0.000 0.413 351 E N 0.528 120.699 120.200 -0.048 0.000 2.150 351 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 351 E C 1.899 178.446 176.600 -0.089 0.000 0.985 351 E CA 1.035 57.397 56.400 -0.064 0.000 0.814 351 E CB -0.049 29.597 29.700 -0.089 0.000 0.752 351 E HN 0.567 nan 8.360 nan 0.000 0.466 352 E N 0.856 120.985 120.200 -0.119 0.000 2.299 352 E HA -0.071 4.279 4.350 -0.001 0.000 0.193 352 E C 0.269 176.788 176.600 -0.134 0.000 0.998 352 E CA -0.142 56.184 56.400 -0.124 0.000 0.851 352 E CB 0.144 29.759 29.700 -0.142 0.000 0.795 352 E HN 0.052 nan 8.360 nan 0.000 0.492 353 D N 1.268 121.592 120.400 -0.126 0.000 2.570 353 D HA -0.077 4.563 4.640 -0.001 0.000 0.243 353 D C -1.473 174.711 176.300 -0.193 0.000 1.171 353 D CA -0.920 52.982 54.000 -0.163 0.000 0.879 353 D CB 0.964 41.708 40.800 -0.094 0.000 1.143 353 D HN 0.021 nan 8.370 nan 0.000 0.511 354 P HA 0.029 nan 4.420 nan 0.000 0.226 354 P C -0.101 177.173 177.300 -0.044 0.000 1.161 354 P CA 0.376 63.303 63.100 -0.288 0.000 0.804 354 P CB 0.225 31.620 31.700 -0.509 0.000 0.829 355 F N 0.111 120.056 119.950 -0.008 0.000 2.432 355 F HA 0.354 4.880 4.527 -0.001 0.000 0.329 355 F C 2.061 177.859 175.800 -0.005 0.000 1.076 355 F CA -2.287 55.710 58.000 -0.006 0.000 1.018 355 F CB 0.020 39.017 39.000 -0.006 0.000 1.201 355 F HN -0.145 nan 8.300 nan 0.000 0.489 356 E N 0.912 121.231 120.200 0.198 0.000 2.171 356 E HA -0.260 4.090 4.350 -0.001 0.000 0.197 356 E C 0.937 177.584 176.600 0.078 0.000 0.997 356 E CA 1.805 58.266 56.400 0.102 0.000 0.810 356 E CB -0.035 29.709 29.700 0.074 0.000 0.738 356 E HN 0.583 nan 8.360 nan 0.000 0.467 357 N N 0.171 118.928 118.700 0.095 0.000 2.398 357 N HA -0.012 4.727 4.740 -0.001 0.000 0.188 357 N C -0.224 175.320 175.510 0.056 0.000 1.122 357 N CA 0.234 53.323 53.050 0.066 0.000 0.866 357 N CB 0.452 38.978 38.487 0.065 0.000 0.970 357 N HN 0.118 nan 8.380 nan 0.000 0.462 358 L N 1.266 122.525 121.223 0.060 0.000 3.550 358 L HA -0.184 4.156 4.340 -0.001 0.000 0.523 358 L C 0.838 177.721 176.870 0.022 0.000 1.312 358 L CA 0.479 55.331 54.840 0.021 0.000 0.864 358 L CB -2.050 40.014 42.059 0.009 0.000 1.592 358 L HN 0.132 nan 8.230 nan 0.000 0.859 359 E N -0.560 119.658 120.200 0.030 0.000 2.106 359 E HA -0.124 4.225 4.350 -0.001 0.000 0.192 359 E C 1.489 178.092 176.600 0.006 0.000 0.984 359 E CA 1.536 57.956 56.400 0.034 0.000 0.806 359 E CB 0.133 29.878 29.700 0.074 0.000 0.750 359 E HN 0.539 nan 8.360 nan 0.000 0.458 360 D N -0.450 119.929 120.400 -0.036 0.000 2.144 360 D HA -0.085 4.555 4.640 -0.001 0.000 0.200 360 D C 1.766 178.072 176.300 0.010 0.000 0.978 360 D CA 1.302 55.276 54.000 -0.044 0.000 0.833 360 D CB -0.441 40.302 40.800 -0.095 0.000 0.961 360 D HN 0.109 nan 8.370 nan 0.000 0.470 361 T N 0.512 115.089 114.554 0.040 0.000 2.746 361 T HA -0.173 4.176 4.350 -0.001 0.000 0.267 361 T C 1.498 176.311 174.700 0.187 0.000 1.039 361 T CA 1.464 63.646 62.100 0.136 0.000 1.142 361 T CB -0.314 68.607 68.868 0.088 0.000 0.866 361 T HN 0.095 nan 8.240 nan 0.000 0.444 362 D N 1.196 121.654 120.400 0.097 0.000 2.104 362 D HA -0.130 4.510 4.640 -0.001 0.000 0.194 362 D C 1.819 178.180 176.300 0.101 0.000 0.994 362 D CA 1.139 55.194 54.000 0.090 0.000 0.830 362 D CB -0.337 40.493 40.800 0.050 0.000 0.959 362 D HN 0.196 nan 8.370 nan 0.000 0.452 363 D N -0.395 120.041 120.400 0.060 0.000 2.117 363 D HA -0.133 4.506 4.640 -0.001 0.000 0.197 363 D C 2.102 178.413 176.300 0.019 0.000 0.987 363 D CA 0.378 54.394 54.000 0.027 0.000 0.829 363 D CB -0.416 40.380 40.800 -0.007 0.000 0.961 363 D HN 0.224 nan 8.370 nan 0.000 0.460 364 L N -0.159 121.089 121.223 0.042 0.000 1.994 364 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 364 L C 2.093 178.955 176.870 -0.014 0.000 1.071 364 L CA 1.566 56.394 54.840 -0.020 0.000 0.745 364 L CB -0.760 41.317 42.059 0.031 0.000 0.892 364 L HN -0.094 nan 8.230 nan 0.000 0.431 365 F N -0.356 119.629 119.950 0.058 0.000 2.171 365 F HA -0.199 4.327 4.527 -0.001 0.000 0.300 365 F C 2.651 178.464 175.800 0.022 0.000 1.090 365 F CA 1.560 59.632 58.000 0.120 0.000 1.293 365 F CB -0.466 38.570 39.000 0.060 0.000 1.013 365 F HN 0.225 nan 8.300 nan 0.000 0.486 366 Q N -0.182 119.695 119.800 0.129 0.000 2.016 366 Q HA -0.171 4.169 4.340 -0.001 0.000 0.200 366 Q C 2.025 178.011 176.000 -0.024 0.000 0.978 366 Q CA 1.393 57.221 55.803 0.043 0.000 0.833 366 Q CB -0.175 28.581 28.738 0.031 0.000 0.895 366 Q HN 0.327 nan 8.270 nan 0.000 0.427 367 N N 0.212 118.875 118.700 -0.061 0.000 2.142 367 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 367 N C 1.589 176.989 175.510 -0.183 0.000 1.023 367 N CA 1.021 54.010 53.050 -0.102 0.000 0.852 367 N CB -0.094 38.332 38.487 -0.101 0.000 0.998 367 N HN 0.203 nan 8.380 nan 0.000 0.424 368 E N -0.128 119.870 120.200 -0.336 0.000 2.051 368 E HA 0.010 4.359 4.350 -0.001 0.000 0.189 368 E C 1.224 177.463 176.600 -0.603 0.000 0.979 368 E CA 0.887 56.918 56.400 -0.614 0.000 0.803 368 E CB -0.198 28.824 29.700 -1.131 0.000 0.761 368 E HN 0.376 nan 8.360 nan 0.000 0.451 369 F N -0.962 118.951 119.950 -0.061 0.000 2.724 369 F HA 0.356 4.883 4.527 -0.001 0.000 0.306 369 F C 1.432 177.192 175.800 -0.067 0.000 1.100 369 F CA 0.384 58.348 58.000 -0.060 0.000 1.255 369 F CB 0.462 39.406 39.000 -0.094 0.000 1.072 369 F HN 0.096 nan 8.300 nan 0.000 0.589 370 G N 1.605 110.439 108.800 0.056 0.000 2.160 370 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.244 370 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.244 370 G C 0.015 174.916 174.900 0.002 0.000 1.022 370 G CA -0.102 45.011 45.100 0.020 0.000 0.741 370 G HN 0.309 nan 8.290 nan 0.000 0.508 371 I N 0.623 121.197 120.570 0.006 0.000 2.336 371 I HA 0.266 4.436 4.170 -0.001 0.000 0.292 371 I C 0.191 176.286 176.117 -0.037 0.000 0.991 371 I CA -0.730 60.511 61.300 -0.099 0.000 1.227 371 I CB 1.279 39.089 38.000 -0.315 0.000 1.366 371 I HN 0.115 nan 8.210 nan 0.000 0.466 372 N N 4.308 122.984 118.700 -0.041 0.000 2.434 372 N HA 0.385 5.124 4.740 -0.001 0.000 0.272 372 N C -0.493 175.024 175.510 0.011 0.000 1.040 372 N CA -0.447 52.604 53.050 0.002 0.000 0.956 372 N CB 1.277 39.772 38.487 0.014 0.000 1.108 372 N HN 0.599 nan 8.380 nan 0.000 0.481 373 T N -1.690 112.880 114.554 0.025 0.000 2.949 373 T HA 0.576 4.925 4.350 -0.001 0.000 0.287 373 T C 0.381 175.105 174.700 0.041 0.000 1.034 373 T CA -0.960 61.171 62.100 0.052 0.000 1.018 373 T CB 1.425 70.292 68.868 -0.000 0.000 1.135 373 T HN 0.399 nan 8.240 nan 0.000 0.532 374 T N -1.329 113.251 114.554 0.044 0.000 2.912 374 T HA 0.450 4.800 4.350 -0.001 0.000 0.280 374 T C 1.553 176.259 174.700 0.011 0.000 0.989 374 T CA -0.618 61.499 62.100 0.028 0.000 0.995 374 T CB 0.798 69.685 68.868 0.032 0.000 1.077 374 T HN 0.381 nan 8.240 nan 0.000 0.531 375 V N 1.782 121.702 119.914 0.010 0.000 2.255 375 V HA -0.219 3.900 4.120 -0.001 0.000 0.247 375 V C 3.066 179.157 176.094 -0.005 0.000 1.051 375 V CA 1.842 64.145 62.300 0.005 0.000 1.018 375 V CB -1.194 30.636 31.823 0.011 0.000 0.641 375 V HN 0.891 nan 8.190 nan 0.000 0.445 376 Q N 0.868 120.666 119.800 -0.003 0.000 2.096 376 Q HA -0.271 4.068 4.340 -0.001 0.000 0.204 376 Q C 1.965 177.948 176.000 -0.029 0.000 0.982 376 Q CA 1.991 57.787 55.803 -0.011 0.000 0.850 376 Q CB -0.763 27.972 28.738 -0.005 0.000 0.901 376 Q HN 0.732 nan 8.270 nan 0.000 0.422 377 E N 0.844 121.025 120.200 -0.032 0.000 2.110 377 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 377 E C 2.213 178.754 176.600 -0.099 0.000 0.988 377 E CA 0.817 57.174 56.400 -0.070 0.000 0.804 377 E CB -0.037 29.640 29.700 -0.037 0.000 0.745 377 E HN 0.360 nan 8.360 nan 0.000 0.458 378 R N 0.709 121.163 120.500 -0.076 0.000 2.115 378 R HA -0.062 4.277 4.340 -0.001 0.000 0.230 378 R C 2.153 178.416 176.300 -0.062 0.000 1.111 378 R CA 0.909 56.956 56.100 -0.088 0.000 0.976 378 R CB -0.095 30.171 30.300 -0.057 0.000 0.870 378 R HN 0.036 nan 8.270 nan 0.000 0.445 379 K N 0.562 120.937 120.400 -0.041 0.000 2.097 379 K HA -0.116 4.204 4.320 -0.001 0.000 0.205 379 K C 1.992 178.569 176.600 -0.038 0.000 1.050 379 K CA 0.830 57.100 56.287 -0.028 0.000 0.938 379 K CB -0.146 32.344 32.500 -0.015 0.000 0.718 379 K HN 0.014 nan 8.250 nan 0.000 0.442 380 L N 1.417 122.608 121.223 -0.054 0.000 2.056 380 L HA -0.093 4.247 4.340 -0.001 0.000 0.207 380 L C 1.766 178.579 176.870 -0.095 0.000 1.078 380 L CA 1.531 56.335 54.840 -0.060 0.000 0.749 380 L CB -0.287 41.733 42.059 -0.065 0.000 0.901 380 L HN 0.114 nan 8.230 nan 0.000 0.433 381 I N -0.546 119.954 120.570 -0.115 0.000 2.226 381 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 381 I C 2.680 178.761 176.117 -0.060 0.000 1.100 381 I CA 1.396 62.630 61.300 -0.109 0.000 1.374 381 I CB -0.347 37.560 38.000 -0.156 0.000 1.057 381 I HN 0.293 nan 8.210 nan 0.000 0.413 382 R N 1.386 121.860 120.500 -0.044 0.000 2.073 382 R HA -0.197 4.143 4.340 -0.001 0.000 0.234 382 R C 2.306 178.589 176.300 -0.028 0.000 1.134 382 R CA 1.689 57.777 56.100 -0.021 0.000 0.952 382 R CB -0.500 29.791 30.300 -0.016 0.000 0.850 382 R HN 0.064 nan 8.270 nan 0.000 0.433 383 R N -0.092 120.388 120.500 -0.033 0.000 2.096 383 R HA -0.025 4.315 4.340 -0.001 0.000 0.235 383 R C 1.894 178.161 176.300 -0.055 0.000 1.127 383 R CA 1.224 57.310 56.100 -0.024 0.000 0.968 383 R CB -0.860 29.437 30.300 -0.004 0.000 0.861 383 R HN 0.323 nan 8.270 nan 0.000 0.440 384 L N 0.048 121.200 121.223 -0.118 0.000 2.056 384 L HA -0.032 4.307 4.340 -0.001 0.000 0.207 384 L C 1.990 178.731 176.870 -0.215 0.000 1.078 384 L CA 1.830 56.530 54.840 -0.233 0.000 0.749 384 L CB -0.873 40.982 42.059 -0.340 0.000 0.901 384 L HN 0.166 nan 8.230 nan 0.000 0.433 385 S N -0.764 114.870 115.700 -0.111 0.000 2.402 385 S HA -0.144 4.325 4.470 -0.001 0.000 0.229 385 S C 1.716 176.308 174.600 -0.014 0.000 1.021 385 S CA 1.021 59.193 58.200 -0.047 0.000 0.974 385 S CB -0.145 63.073 63.200 0.029 0.000 0.800 385 S HN 0.530 nan 8.310 nan 0.000 0.484 386 E N 1.142 121.334 120.200 -0.013 0.000 2.072 386 E HA -0.041 4.309 4.350 -0.001 0.000 0.191 386 E C 1.977 178.571 176.600 -0.010 0.000 0.985 386 E CA 0.780 57.188 56.400 0.014 0.000 0.801 386 E CB -0.285 29.424 29.700 0.014 0.000 0.750 386 E HN 0.395 nan 8.360 nan 0.000 0.452 387 L N 0.643 121.835 121.223 -0.052 0.000 2.046 387 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 387 L C 2.429 179.210 176.870 -0.148 0.000 1.077 387 L CA 1.004 55.814 54.840 -0.050 0.000 0.747 387 L CB -0.260 41.798 42.059 -0.002 0.000 0.896 387 L HN 0.142 nan 8.230 nan 0.000 0.432 388 I N -0.570 119.815 120.570 -0.307 0.000 2.353 388 I HA -0.151 4.018 4.170 -0.001 0.000 0.248 388 I C 2.504 178.528 176.117 -0.156 0.000 1.119 388 I CA 1.283 62.367 61.300 -0.359 0.000 1.417 388 I CB -0.575 37.150 38.000 -0.458 0.000 1.078 388 I HN 0.237 nan 8.210 nan 0.000 0.421 389 G N 0.149 108.910 108.800 -0.065 0.000 2.430 389 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.216 389 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.216 389 G C 1.834 176.715 174.900 -0.032 0.000 1.146 389 G CA 0.679 45.754 45.100 -0.042 0.000 0.793 389 G HN 0.451 nan 8.290 nan 0.000 0.537 390 A N 0.738 123.550 122.820 -0.014 0.000 1.898 390 A HA 0.058 4.378 4.320 -0.001 0.000 0.216 390 A C 2.280 179.838 177.584 -0.043 0.000 1.181 390 A CA 1.679 53.697 52.037 -0.031 0.000 0.620 390 A CB -0.414 18.586 19.000 -0.000 0.000 0.819 390 A HN 0.332 nan 8.150 nan 0.000 0.442 391 R N -0.275 120.219 120.500 -0.009 0.000 2.081 391 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 391 R C 2.260 178.569 176.300 0.016 0.000 1.131 391 R CA 1.476 57.597 56.100 0.035 0.000 0.960 391 R CB -0.397 29.966 30.300 0.106 0.000 0.856 391 R HN 0.426 nan 8.270 nan 0.000 0.436 392 A N 0.559 123.373 122.820 -0.010 0.000 1.933 392 A HA -0.079 4.240 4.320 -0.001 0.000 0.218 392 A C 2.300 179.869 177.584 -0.024 0.000 1.175 392 A CA 1.608 53.654 52.037 0.015 0.000 0.628 392 A CB -0.609 18.401 19.000 0.017 0.000 0.814 392 A HN 0.548 nan 8.150 nan 0.000 0.444 393 A N -0.240 122.454 122.820 -0.210 0.000 1.898 393 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 393 A C 2.247 179.624 177.584 -0.345 0.000 1.181 393 A CA 1.408 53.063 52.037 -0.637 0.000 0.620 393 A CB -0.390 18.120 19.000 -0.815 0.000 0.819 393 A HN 0.537 nan 8.150 nan 0.000 0.442 394 R N -0.521 119.882 120.500 -0.162 0.000 2.062 394 R HA 0.009 4.349 4.340 -0.001 0.000 0.231 394 R C 2.038 178.349 176.300 0.019 0.000 1.136 394 R CA 1.500 57.560 56.100 -0.065 0.000 0.948 394 R CB -0.528 29.757 30.300 -0.025 0.000 0.845 394 R HN 0.472 nan 8.270 nan 0.000 0.430 395 L N 0.782 122.052 121.223 0.078 0.000 2.131 395 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 395 L C 2.542 179.602 176.870 0.316 0.000 1.092 395 L CA 1.301 56.269 54.840 0.213 0.000 0.759 395 L CB -0.462 41.737 42.059 0.234 0.000 0.903 395 L HN 0.313 nan 8.230 nan 0.000 0.435 396 S N -0.347 115.472 115.700 0.198 0.000 2.481 396 S HA -0.085 4.384 4.470 -0.001 0.000 0.231 396 S C 1.649 176.506 174.600 0.427 0.000 0.996 396 S CA 0.848 59.249 58.200 0.336 0.000 0.942 396 S CB -0.389 62.949 63.200 0.230 0.000 0.768 396 S HN 0.344 nan 8.310 nan 0.000 0.520 397 V N -1.757 118.289 119.914 0.220 0.000 3.647 397 V HA 0.211 4.330 4.120 -0.001 0.000 0.279 397 V C 2.076 178.206 176.094 0.060 0.000 1.314 397 V CA 0.200 62.613 62.300 0.189 0.000 1.125 397 V CB -1.480 30.410 31.823 0.111 0.000 0.907 397 V HN 0.570 nan 8.190 nan 0.000 0.434 398 C N 2.012 121.339 119.300 0.045 0.000 2.413 398 C HA -0.009 4.451 4.460 -0.001 0.000 0.277 398 C C 2.975 177.601 174.990 -0.606 0.000 1.265 398 C CA 1.474 60.399 59.018 -0.154 0.000 1.752 398 C CB -1.684 26.077 27.740 0.036 0.000 1.998 398 C HN 0.712 nan 8.230 nan 0.000 0.489 399 G N 0.275 108.556 108.800 -0.864 0.000 2.408 399 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.217 399 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.217 399 G C 1.454 176.008 174.900 -0.577 0.000 1.150 399 G CA 0.647 44.882 45.100 -1.443 0.000 0.776 399 G HN 0.535 nan 8.290 nan 0.000 0.542 400 I N 1.333 121.794 120.570 -0.180 0.000 2.142 400 I HA -0.151 4.018 4.170 -0.001 0.000 0.240 400 I C 3.292 179.373 176.117 -0.061 0.000 1.078 400 I CA 1.082 62.373 61.300 -0.014 0.000 1.343 400 I CB -0.225 37.861 38.000 0.144 0.000 1.046 400 I HN 0.226 nan 8.210 nan 0.000 0.405 401 A N 0.654 123.416 122.820 -0.097 0.000 1.902 401 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 401 A C 2.507 179.972 177.584 -0.198 0.000 1.181 401 A CA 1.889 53.873 52.037 -0.088 0.000 0.623 401 A CB -0.891 17.980 19.000 -0.216 0.000 0.818 401 A HN 0.445 nan 8.150 nan 0.000 0.443 402 A N -0.414 122.182 122.820 -0.374 0.000 1.972 402 A HA -0.027 4.292 4.320 -0.001 0.000 0.219 402 A C 2.081 179.470 177.584 -0.326 0.000 1.169 402 A CA 1.455 53.259 52.037 -0.388 0.000 0.635 402 A CB -0.513 18.117 19.000 -0.616 0.000 0.810 402 A HN 0.504 nan 8.150 nan 0.000 0.446 403 I N -1.027 119.340 120.570 -0.339 0.000 2.406 403 I HA -0.241 3.929 4.170 -0.001 0.000 0.249 403 I C 2.273 178.238 176.117 -0.252 0.000 1.122 403 I CA 0.749 61.821 61.300 -0.381 0.000 1.431 403 I CB -0.229 37.496 38.000 -0.459 0.000 1.087 403 I HN 0.363 nan 8.210 nan 0.000 0.424 404 C N 0.072 119.336 119.300 -0.059 0.000 2.457 404 C HA -0.117 4.342 4.460 -0.001 0.000 0.278 404 C C 2.779 177.760 174.990 -0.015 0.000 1.309 404 C CA 0.640 59.711 59.018 0.088 0.000 1.735 404 C CB -0.955 26.956 27.740 0.285 0.000 1.992 404 C HN 0.504 nan 8.230 nan 0.000 0.493 405 Q N 0.736 120.521 119.800 -0.025 0.000 2.123 405 Q HA -0.167 4.173 4.340 -0.001 0.000 0.199 405 Q C 2.322 178.254 176.000 -0.113 0.000 0.966 405 Q CA 1.210 56.988 55.803 -0.043 0.000 0.845 405 Q CB -0.157 28.533 28.738 -0.080 0.000 0.907 405 Q HN 0.649 nan 8.270 nan 0.000 0.439 406 K N 0.552 120.851 120.400 -0.168 0.000 2.032 406 K HA -0.159 4.161 4.320 -0.001 0.000 0.209 406 K C 1.734 178.217 176.600 -0.195 0.000 1.048 406 K CA 1.145 57.333 56.287 -0.165 0.000 0.927 406 K CB 0.183 32.571 32.500 -0.186 0.000 0.712 406 K HN -0.015 nan 8.250 nan 0.000 0.441 407 R N -0.777 119.515 120.500 -0.347 0.000 2.297 407 R HA 0.060 4.400 4.340 -0.001 0.000 0.197 407 R C 0.945 176.958 176.300 -0.477 0.000 0.943 407 R CA 0.857 56.656 56.100 -0.502 0.000 1.038 407 R CB 0.269 29.970 30.300 -0.998 0.000 0.957 407 R HN 0.588 nan 8.270 nan 0.000 0.484 408 G N 1.245 109.875 108.800 -0.283 0.000 2.160 408 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.244 408 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.244 408 G C -0.575 174.345 174.900 0.034 0.000 1.022 408 G CA -0.115 44.931 45.100 -0.090 0.000 0.741 408 G HN 0.224 nan 8.290 nan 0.000 0.508 409 Y N 0.111 120.456 120.300 0.075 0.000 2.584 409 Y HA 0.490 5.039 4.550 -0.001 0.000 0.351 409 Y C 1.495 177.436 175.900 0.069 0.000 1.030 409 Y CA -0.782 57.360 58.100 0.071 0.000 1.332 409 Y CB 1.036 39.545 38.460 0.083 0.000 1.148 409 Y HN 0.068 nan 8.280 nan 0.000 0.528 410 K N 0.740 121.255 120.400 0.192 0.000 2.262 410 K HA 0.054 4.374 4.320 -0.001 0.000 0.200 410 K C 0.502 177.129 176.600 0.046 0.000 1.049 410 K CA 0.670 57.023 56.287 0.109 0.000 0.979 410 K CB 0.336 32.886 32.500 0.083 0.000 0.773 410 K HN 0.733 nan 8.250 nan 0.000 0.474 411 T N -2.975 111.605 114.554 0.043 0.000 2.901 411 T HA 0.830 5.180 4.350 -0.001 0.000 0.293 411 T C 0.053 174.752 174.700 -0.002 0.000 1.084 411 T CA -0.542 61.551 62.100 -0.012 0.000 1.008 411 T CB 2.302 71.141 68.868 -0.048 0.000 1.170 411 T HN 0.168 nan 8.240 nan 0.000 0.509 412 G N 0.047 108.852 108.800 0.008 0.000 2.352 412 G HA2 0.334 4.293 3.960 -0.001 0.000 0.302 412 G HA3 0.334 4.293 3.960 -0.001 0.000 0.302 412 G C -1.936 173.079 174.900 0.191 0.000 1.370 412 G CA -1.061 44.039 45.100 -0.001 0.000 0.918 412 G HN 1.058 nan 8.290 nan 0.000 0.610 413 H N -0.350 118.705 119.070 -0.025 0.000 2.469 413 H HA 0.524 5.080 4.556 -0.001 0.000 0.342 413 H C -0.314 175.040 175.328 0.043 0.000 1.115 413 H CA -0.935 55.121 56.048 0.014 0.000 1.204 413 H CB 1.990 31.748 29.762 -0.006 0.000 1.492 413 H HN 0.227 nan 8.280 nan 0.000 0.499 414 I N 2.544 123.219 120.570 0.175 0.000 2.328 414 I HA 0.221 4.390 4.170 -0.001 0.000 0.287 414 I C 0.387 176.555 176.117 0.085 0.000 1.012 414 I CA -0.496 60.886 61.300 0.136 0.000 1.195 414 I CB 0.673 38.767 38.000 0.157 0.000 1.350 414 I HN 0.576 nan 8.210 nan 0.000 0.464 415 A N 5.852 128.714 122.820 0.070 0.000 2.302 415 A HA 0.746 5.066 4.320 -0.001 0.000 0.295 415 A C 0.289 177.834 177.584 -0.064 0.000 1.235 415 A CA -0.294 51.761 52.037 0.031 0.000 0.876 415 A CB 0.275 19.320 19.000 0.075 0.000 1.133 415 A HN 0.844 nan 8.150 nan 0.000 0.533 416 A N 2.693 125.407 122.820 -0.177 0.000 2.356 416 A HA 0.828 5.148 4.320 -0.001 0.000 0.323 416 A C -0.592 176.810 177.584 -0.303 0.000 1.119 416 A CA -0.449 51.348 52.037 -0.400 0.000 0.790 416 A CB 1.350 19.754 19.000 -0.993 0.000 1.273 416 A HN 0.799 nan 8.150 nan 0.000 0.452 417 D N -1.381 118.898 120.400 -0.203 0.000 2.692 417 D HA 0.665 5.305 4.640 -0.001 0.000 0.303 417 D C -0.335 176.017 176.300 0.086 0.000 1.278 417 D CA 0.990 55.008 54.000 0.030 0.000 0.852 417 D CB 1.977 42.790 40.800 0.021 0.000 1.375 417 D HN 1.738 nan 8.370 nan 0.000 0.453 418 G N -0.574 108.304 108.800 0.130 0.000 2.539 418 G HA2 0.087 4.046 3.960 -0.001 0.000 0.686 418 G HA3 0.087 4.046 3.960 -0.001 0.000 0.686 418 G C 0.639 175.625 174.900 0.143 0.000 1.258 418 G CA 0.463 45.634 45.100 0.118 0.000 0.846 418 G HN 0.738 nan 8.290 nan 0.000 0.647 419 S N -0.835 114.918 115.700 0.089 0.000 2.406 419 S HA -0.041 4.429 4.470 -0.001 0.000 0.228 419 S C 2.331 176.960 174.600 0.048 0.000 1.020 419 S CA 2.060 60.302 58.200 0.070 0.000 0.965 419 S CB -0.102 63.134 63.200 0.060 0.000 0.798 419 S HN 1.309 nan 8.310 nan 0.000 0.488 420 V N 1.017 120.935 119.914 0.005 0.000 2.270 420 V HA -0.148 3.971 4.120 -0.001 0.000 0.245 420 V C 2.248 178.172 176.094 -0.284 0.000 1.043 420 V CA 1.994 64.211 62.300 -0.138 0.000 1.014 420 V CB -1.170 30.476 31.823 -0.295 0.000 0.645 420 V HN 0.559 nan 8.190 nan 0.000 0.447 421 Y N 2.203 122.284 120.300 -0.366 0.000 2.114 421 Y HA -0.292 4.258 4.550 -0.001 0.000 0.282 421 Y C 2.515 178.439 175.900 0.040 0.000 1.165 421 Y CA 2.290 60.311 58.100 -0.132 0.000 1.148 421 Y CB -0.416 38.178 38.460 0.224 0.000 0.972 421 Y HN 0.302 nan 8.280 nan 0.000 0.504 422 N N -0.079 118.617 118.700 -0.007 0.000 2.216 422 N HA -0.069 4.671 4.740 -0.001 0.000 0.183 422 N C 1.686 177.149 175.510 -0.077 0.000 1.017 422 N CA 1.529 54.531 53.050 -0.079 0.000 0.861 422 N CB -0.208 38.314 38.487 0.058 0.000 0.986 422 N HN 0.423 nan 8.380 nan 0.000 0.428 423 R N -1.445 119.041 120.500 -0.024 0.000 2.369 423 R HA 0.146 4.486 4.340 -0.001 0.000 0.210 423 R C -0.170 176.133 176.300 0.004 0.000 0.881 423 R CA -0.329 55.763 56.100 -0.014 0.000 1.031 423 R CB 0.278 30.582 30.300 0.006 0.000 1.184 423 R HN 0.100 nan 8.270 nan 0.000 0.581 424 Y N 4.421 124.690 120.300 -0.051 0.000 2.465 424 Y HA 0.132 4.682 4.550 -0.001 0.000 0.331 424 Y C -2.055 173.870 175.900 0.041 0.000 1.102 424 Y CA -2.791 55.310 58.100 0.001 0.000 1.358 424 Y CB 0.595 39.060 38.460 0.008 0.000 1.213 424 Y HN -0.049 nan 8.280 nan 0.000 0.525 425 P HA 0.075 nan 4.420 nan 0.000 0.263 425 P C 0.620 177.943 177.300 0.039 0.000 1.195 425 P CA 1.288 64.281 63.100 -0.178 0.000 0.762 425 P CB 0.725 32.253 31.700 -0.286 0.000 0.799 426 G N 3.132 111.977 108.800 0.075 0.000 2.189 426 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.267 426 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.267 426 G C 0.611 175.612 174.900 0.168 0.000 0.975 426 G CA 0.311 45.471 45.100 0.101 0.000 0.644 426 G HN 0.491 nan 8.290 nan 0.000 0.537 427 F N 1.248 121.270 119.950 0.119 0.000 2.171 427 F HA 0.035 4.561 4.527 -0.001 0.000 0.300 427 F C 2.521 178.340 175.800 0.033 0.000 1.090 427 F CA 2.457 60.506 58.000 0.082 0.000 1.293 427 F CB -0.138 38.925 39.000 0.105 0.000 1.013 427 F HN 0.277 nan 8.300 nan 0.000 0.486 428 K N -0.052 120.483 120.400 0.224 0.000 2.025 428 K HA -0.218 4.102 4.320 -0.001 0.000 0.207 428 K C 2.109 178.767 176.600 0.097 0.000 1.049 428 K CA 1.695 58.088 56.287 0.176 0.000 0.933 428 K CB -0.395 32.151 32.500 0.076 0.000 0.714 428 K HN 0.432 nan 8.250 nan 0.000 0.438 429 E N 1.813 122.049 120.200 0.060 0.000 2.047 429 E HA -0.196 4.153 4.350 -0.001 0.000 0.191 429 E C 1.679 178.303 176.600 0.040 0.000 0.987 429 E CA 1.296 57.729 56.400 0.055 0.000 0.799 429 E CB 0.140 29.864 29.700 0.040 0.000 0.752 429 E HN 0.135 nan 8.360 nan 0.000 0.449 430 K N 0.188 120.574 120.400 -0.023 0.000 2.097 430 K HA -0.109 4.210 4.320 -0.001 0.000 0.206 430 K C 2.174 178.695 176.600 -0.132 0.000 1.049 430 K CA 1.042 57.283 56.287 -0.076 0.000 0.933 430 K CB -0.129 32.297 32.500 -0.124 0.000 0.717 430 K HN 0.204 nan 8.250 nan 0.000 0.442 431 A N 1.467 124.153 122.820 -0.225 0.000 1.898 431 A HA -0.067 4.252 4.320 -0.001 0.000 0.216 431 A C 2.365 179.963 177.584 0.024 0.000 1.181 431 A CA 1.682 53.594 52.037 -0.208 0.000 0.620 431 A CB -0.578 18.246 19.000 -0.293 0.000 0.819 431 A HN 0.315 nan 8.150 nan 0.000 0.442 432 A N 0.284 123.182 122.820 0.131 0.000 1.898 432 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 432 A C 1.886 179.662 177.584 0.321 0.000 1.181 432 A CA 1.641 53.858 52.037 0.299 0.000 0.620 432 A CB -0.562 18.645 19.000 0.344 0.000 0.819 432 A HN 0.535 nan 8.150 nan 0.000 0.442 433 N N 0.401 119.234 118.700 0.222 0.000 2.331 433 N HA -0.047 4.693 4.740 -0.001 0.000 0.180 433 N C 1.795 177.330 175.510 0.042 0.000 1.019 433 N CA 1.267 54.422 53.050 0.175 0.000 0.881 433 N CB -0.430 38.139 38.487 0.137 0.000 0.972 433 N HN 0.479 nan 8.380 nan 0.000 0.435 434 A N 1.055 123.879 122.820 0.006 0.000 1.930 434 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 434 A C 2.092 179.626 177.584 -0.084 0.000 1.175 434 A CA 0.756 52.767 52.037 -0.042 0.000 0.627 434 A CB -0.383 18.587 19.000 -0.051 0.000 0.815 434 A HN 0.078 nan 8.150 nan 0.000 0.443 435 L N 0.306 121.495 121.223 -0.056 0.000 2.017 435 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 435 L C 2.427 179.018 176.870 -0.466 0.000 1.073 435 L CA 2.203 56.967 54.840 -0.126 0.000 0.745 435 L CB -1.057 41.039 42.059 0.061 0.000 0.894 435 L HN 0.492 nan 8.230 nan 0.000 0.432 436 K N -0.108 120.033 120.400 -0.432 0.000 2.044 436 K HA -0.230 4.089 4.320 -0.001 0.000 0.210 436 K C 1.648 178.022 176.600 -0.376 0.000 1.049 436 K CA 1.995 57.979 56.287 -0.504 0.000 0.927 436 K CB -0.102 32.240 32.500 -0.263 0.000 0.713 436 K HN 0.288 nan 8.250 nan 0.000 0.443 437 D N 0.855 121.125 120.400 -0.217 0.000 2.097 437 D HA -0.146 4.494 4.640 -0.001 0.000 0.195 437 D C 2.089 178.257 176.300 -0.220 0.000 0.989 437 D CA 1.179 55.083 54.000 -0.160 0.000 0.827 437 D CB -0.320 40.423 40.800 -0.096 0.000 0.966 437 D HN 0.291 nan 8.370 nan 0.000 0.456 438 I N -0.145 120.263 120.570 -0.271 0.000 2.118 438 I HA -0.325 3.844 4.170 -0.001 0.000 0.241 438 I C 2.017 177.857 176.117 -0.461 0.000 1.070 438 I CA 1.335 62.428 61.300 -0.346 0.000 1.327 438 I CB -0.258 37.503 38.000 -0.397 0.000 1.034 438 I HN 0.046 nan 8.210 nan 0.000 0.405 439 Y N 0.590 120.532 120.300 -0.597 0.000 2.519 439 Y HA 0.136 4.686 4.550 -0.001 0.000 0.287 439 Y C 1.751 177.359 175.900 -0.487 0.000 1.128 439 Y CA 0.631 58.330 58.100 -0.667 0.000 1.282 439 Y CB -0.229 37.441 38.460 -1.316 0.000 1.027 439 Y HN 0.313 nan 8.280 nan 0.000 0.551 440 G N -0.438 108.202 108.800 -0.267 0.000 2.272 440 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.280 440 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.280 440 G C -0.209 174.710 174.900 0.031 0.000 1.067 440 G CA -0.256 44.786 45.100 -0.096 0.000 0.902 440 G HN 0.167 nan 8.290 nan 0.000 0.500 441 W N -0.463 120.829 121.300 -0.014 0.000 2.161 441 W HA 0.549 5.209 4.660 -0.001 0.000 0.344 441 W C 1.531 178.040 176.519 -0.016 0.000 1.262 441 W CA 0.204 57.523 57.345 -0.043 0.000 1.270 441 W CB 0.546 29.912 29.460 -0.156 0.000 1.126 441 W HN 0.453 nan 8.180 nan 0.000 0.598 442 T N -2.085 112.625 114.554 0.260 0.000 3.044 442 T HA 0.125 4.475 4.350 -0.001 0.000 0.260 442 T C 0.258 175.061 174.700 0.172 0.000 1.019 442 T CA -0.208 61.994 62.100 0.170 0.000 0.921 442 T CB 0.196 69.134 68.868 0.117 0.000 1.053 442 T HN 0.243 nan 8.240 nan 0.000 0.533 443 Q N 2.085 122.011 119.800 0.209 0.000 2.417 443 Q HA 0.437 4.776 4.340 -0.001 0.000 0.241 443 Q C 1.329 177.490 176.000 0.268 0.000 1.008 443 Q CA 0.492 56.411 55.803 0.194 0.000 0.901 443 Q CB 0.865 29.696 28.738 0.154 0.000 1.259 443 Q HN 0.448 nan 8.270 nan 0.000 0.489 444 T N -3.866 110.781 114.554 0.156 0.000 3.044 444 T HA 0.219 4.568 4.350 -0.001 0.000 0.260 444 T C 0.446 175.169 174.700 0.038 0.000 1.019 444 T CA -0.139 62.038 62.100 0.129 0.000 0.921 444 T CB 0.450 69.367 68.868 0.082 0.000 1.053 444 T HN 0.307 nan 8.240 nan 0.000 0.533 445 S N 0.703 116.370 115.700 -0.054 0.000 2.472 445 S HA 0.540 5.010 4.470 -0.001 0.000 0.303 445 S C 1.126 175.442 174.600 -0.473 0.000 1.099 445 S CA -0.919 57.178 58.200 -0.171 0.000 1.077 445 S CB 0.704 63.835 63.200 -0.115 0.000 1.031 445 S HN 0.355 nan 8.310 nan 0.000 0.487 446 L N 2.916 123.799 121.223 -0.566 0.000 2.197 446 L HA -0.131 4.209 4.340 -0.001 0.000 0.215 446 L C 1.979 178.512 176.870 -0.561 0.000 1.095 446 L CA 1.533 55.850 54.840 -0.871 0.000 0.764 446 L CB -0.605 41.225 42.059 -0.381 0.000 0.897 446 L HN 0.676 nan 8.230 nan 0.000 0.436 447 D N -0.062 120.154 120.400 -0.306 0.000 2.310 447 D HA -0.150 4.489 4.640 -0.001 0.000 0.212 447 D C 1.372 177.579 176.300 -0.155 0.000 0.965 447 D CA 0.784 54.676 54.000 -0.180 0.000 0.879 447 D CB 0.141 40.871 40.800 -0.116 0.000 0.921 447 D HN 0.273 nan 8.370 nan 0.000 0.510 448 D N -0.815 119.482 120.400 -0.172 0.000 2.349 448 D HA -0.053 4.587 4.640 -0.001 0.000 0.214 448 D C -0.069 176.184 176.300 -0.078 0.000 1.063 448 D CA -0.083 53.855 54.000 -0.103 0.000 0.847 448 D CB 0.009 40.769 40.800 -0.067 0.000 0.933 448 D HN 0.242 nan 8.370 nan 0.000 0.513 449 Y N 1.605 121.766 120.300 -0.232 0.000 2.610 449 Y HA 0.055 4.605 4.550 -0.001 0.000 0.332 449 Y C -0.973 174.580 175.900 -0.578 0.000 1.201 449 Y CA -2.393 55.407 58.100 -0.500 0.000 1.465 449 Y CB -0.118 38.172 38.460 -0.282 0.000 1.283 449 Y HN -0.066 nan 8.280 nan 0.000 0.563 450 P HA -0.028 nan 4.420 nan 0.000 0.219 450 P C 0.058 177.206 177.300 -0.255 0.000 1.150 450 P CA 1.416 64.229 63.100 -0.478 0.000 0.814 450 P CB 0.643 32.001 31.700 -0.571 0.000 0.787 451 I N 0.846 121.276 120.570 -0.234 0.000 2.359 451 I HA 0.190 4.359 4.170 -0.001 0.000 0.284 451 I C 0.285 176.509 176.117 0.178 0.000 1.018 451 I CA -0.819 60.535 61.300 0.089 0.000 1.173 451 I CB 1.045 39.179 38.000 0.223 0.000 1.326 451 I HN -0.163 nan 8.210 nan 0.000 0.462 452 K N 6.858 127.344 120.400 0.144 0.000 2.207 452 K HA 0.694 5.013 4.320 -0.001 0.000 0.255 452 K C -0.850 175.813 176.600 0.105 0.000 0.941 452 K CA -0.769 55.586 56.287 0.112 0.000 0.825 452 K CB 2.265 34.755 32.500 -0.016 0.000 1.119 452 K HN 0.381 nan 8.250 nan 0.000 0.430 453 I N 2.817 123.479 120.570 0.153 0.000 2.325 453 I HA 0.173 4.343 4.170 -0.001 0.000 0.291 453 I C 0.035 176.229 176.117 0.128 0.000 1.019 453 I CA -0.866 60.534 61.300 0.168 0.000 1.302 453 I CB 1.241 39.409 38.000 0.279 0.000 1.401 453 I HN 0.483 nan 8.210 nan 0.000 0.485 454 V N 4.324 124.280 119.914 0.069 0.000 3.102 454 V HA 0.692 4.811 4.120 -0.001 0.000 0.312 454 V C -2.813 173.356 176.094 0.124 0.000 1.135 454 V CA -2.749 59.591 62.300 0.066 0.000 1.022 454 V CB 1.681 33.451 31.823 -0.089 0.000 1.056 454 V HN 0.410 nan 8.190 nan 0.000 0.436 455 P HA 0.374 nan 4.420 nan 0.000 0.267 455 P C -0.184 177.190 177.300 0.123 0.000 1.205 455 P CA 0.500 63.726 63.100 0.209 0.000 0.765 455 P CB 0.502 32.325 31.700 0.206 0.000 0.828 456 A N 3.512 126.390 122.820 0.096 0.000 2.332 456 A HA 0.255 4.575 4.320 -0.001 0.000 0.258 456 A C 0.589 178.249 177.584 0.126 0.000 1.087 456 A CA -0.365 51.726 52.037 0.090 0.000 0.802 456 A CB 0.089 19.120 19.000 0.052 0.000 1.042 456 A HN 0.449 nan 8.150 nan 0.000 0.489 457 E N 0.263 120.557 120.200 0.156 0.000 2.376 457 E HA 0.109 4.459 4.350 -0.001 0.000 0.254 457 E C -0.723 175.976 176.600 0.166 0.000 1.213 457 E CA -0.246 56.284 56.400 0.216 0.000 0.945 457 E CB 0.397 30.306 29.700 0.348 0.000 1.057 457 E HN 0.662 nan 8.360 nan 0.000 0.479 458 D N -0.700 119.808 120.400 0.181 0.000 2.339 458 D HA 0.147 4.787 4.640 -0.001 0.000 0.256 458 D C 0.972 177.300 176.300 0.047 0.000 1.214 458 D CA 0.099 54.160 54.000 0.102 0.000 0.877 458 D CB 0.740 41.604 40.800 0.107 0.000 1.111 458 D HN 0.428 nan 8.370 nan 0.000 0.478 459 G N 2.099 110.917 108.800 0.030 0.000 2.453 459 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.215 459 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.215 459 G C 1.463 176.358 174.900 -0.008 0.000 1.147 459 G CA 0.100 45.202 45.100 0.003 0.000 0.802 459 G HN 0.506 nan 8.290 nan 0.000 0.535 460 S N 0.180 115.883 115.700 0.005 0.000 2.387 460 S HA 0.071 4.541 4.470 -0.001 0.000 0.226 460 S C 2.199 176.808 174.600 0.015 0.000 1.026 460 S CA 1.155 59.364 58.200 0.016 0.000 0.972 460 S CB -0.074 63.143 63.200 0.027 0.000 0.814 460 S HN 0.495 nan 8.310 nan 0.000 0.477 461 G N 0.885 109.682 108.800 -0.004 0.000 2.680 461 G HA2 0.344 4.303 3.960 -0.001 0.000 0.224 461 G HA3 0.344 4.303 3.960 -0.001 0.000 0.224 461 G C 1.541 176.382 174.900 -0.099 0.000 1.454 461 G CA 0.485 45.570 45.100 -0.026 0.000 0.900 461 G HN 0.466 nan 8.290 nan 0.000 0.570 462 A N 0.762 123.474 122.820 -0.180 0.000 1.892 462 A HA 0.074 4.393 4.320 -0.001 0.000 0.218 462 A C 2.646 180.038 177.584 -0.319 0.000 1.188 462 A CA 2.504 54.287 52.037 -0.422 0.000 0.631 462 A CB -1.328 17.246 19.000 -0.711 0.000 0.822 462 A HN 0.700 nan 8.150 nan 0.000 0.447 463 G N -0.608 108.092 108.800 -0.166 0.000 2.459 463 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.217 463 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.217 463 G C 1.802 176.643 174.900 -0.097 0.000 1.183 463 G CA 1.736 46.775 45.100 -0.102 0.000 0.776 463 G HN 0.907 nan 8.290 nan 0.000 0.552 464 A N 1.034 123.816 122.820 -0.063 0.000 1.940 464 A HA 0.230 4.550 4.320 -0.001 0.000 0.219 464 A C 2.800 180.345 177.584 -0.066 0.000 1.176 464 A CA 2.367 54.385 52.037 -0.031 0.000 0.631 464 A CB -0.732 18.286 19.000 0.029 0.000 0.814 464 A HN 0.843 nan 8.150 nan 0.000 0.446 465 A N -0.659 122.096 122.820 -0.108 0.000 1.898 465 A HA 0.034 4.353 4.320 -0.001 0.000 0.216 465 A C 2.203 179.594 177.584 -0.322 0.000 1.181 465 A CA 1.683 53.644 52.037 -0.128 0.000 0.620 465 A CB -0.839 18.102 19.000 -0.099 0.000 0.819 465 A HN 0.387 nan 8.150 nan 0.000 0.442 466 V N 0.073 119.778 119.914 -0.349 0.000 2.427 466 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 466 V C 2.374 178.309 176.094 -0.264 0.000 1.051 466 V CA 1.938 64.005 62.300 -0.388 0.000 1.048 466 V CB -0.631 30.999 31.823 -0.320 0.000 0.666 466 V HN 0.562 nan 8.190 nan 0.000 0.456 467 I N 0.313 120.784 120.570 -0.165 0.000 2.315 467 I HA -0.180 3.990 4.170 -0.001 0.000 0.248 467 I C 2.633 178.690 176.117 -0.100 0.000 1.117 467 I CA 1.263 62.504 61.300 -0.099 0.000 1.404 467 I CB -0.505 37.461 38.000 -0.057 0.000 1.071 467 I HN 0.269 nan 8.210 nan 0.000 0.419 468 A N 0.813 123.567 122.820 -0.109 0.000 1.902 468 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 468 A C 2.552 180.068 177.584 -0.113 0.000 1.181 468 A CA 1.905 53.911 52.037 -0.052 0.000 0.623 468 A CB -0.884 18.136 19.000 0.032 0.000 0.818 468 A HN 0.421 nan 8.150 nan 0.000 0.443 469 A N -0.325 122.237 122.820 -0.429 0.000 1.908 469 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 469 A C 2.161 179.640 177.584 -0.175 0.000 1.181 469 A CA 1.621 53.334 52.037 -0.541 0.000 0.627 469 A CB -0.576 17.732 19.000 -1.152 0.000 0.818 469 A HN 0.493 nan 8.150 nan 0.000 0.445 470 L N -1.225 119.919 121.223 -0.132 0.000 2.131 470 L HA -0.069 4.270 4.340 -0.001 0.000 0.206 470 L C 3.027 179.889 176.870 -0.014 0.000 1.087 470 L CA 0.836 55.650 54.840 -0.045 0.000 0.767 470 L CB -0.503 41.539 42.059 -0.027 0.000 0.917 470 L HN 0.410 nan 8.230 nan 0.000 0.441 471 A N -0.801 122.011 122.820 -0.014 0.000 1.898 471 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 471 A C 2.288 179.882 177.584 0.018 0.000 1.181 471 A CA 1.163 53.203 52.037 0.006 0.000 0.620 471 A CB -0.415 18.591 19.000 0.009 0.000 0.819 471 A HN 0.355 nan 8.150 nan 0.000 0.442 472 Q N -0.244 119.577 119.800 0.035 0.000 2.119 472 Q HA -0.185 4.154 4.340 -0.001 0.000 0.201 472 Q C 2.110 178.142 176.000 0.053 0.000 0.972 472 Q CA 1.708 57.546 55.803 0.058 0.000 0.847 472 Q CB -0.165 28.642 28.738 0.115 0.000 0.903 472 Q HN 0.736 nan 8.270 nan 0.000 0.433 473 K N 0.249 120.682 120.400 0.055 0.000 2.063 473 K HA -0.166 4.154 4.320 -0.001 0.000 0.208 473 K C 2.070 178.687 176.600 0.030 0.000 1.048 473 K CA 1.202 57.518 56.287 0.048 0.000 0.928 473 K CB 0.083 32.612 32.500 0.048 0.000 0.713 473 K HN 0.111 nan 8.250 nan 0.000 0.442 474 R N 0.238 120.750 120.500 0.021 0.000 2.066 474 R HA -0.051 4.288 4.340 -0.001 0.000 0.232 474 R C 2.438 178.741 176.300 0.006 0.000 1.131 474 R CA 1.528 57.636 56.100 0.012 0.000 0.955 474 R CB -0.436 29.869 30.300 0.009 0.000 0.851 474 R HN 0.214 nan 8.270 nan 0.000 0.432 475 I N 1.137 121.710 120.570 0.004 0.000 2.194 475 I HA -0.312 3.858 4.170 -0.001 0.000 0.246 475 I C 2.643 178.760 176.117 -0.000 0.000 1.093 475 I CA 1.429 62.727 61.300 -0.004 0.000 1.355 475 I CB -0.468 37.529 38.000 -0.005 0.000 1.046 475 I HN 0.221 nan 8.210 nan 0.000 0.413 476 A N 0.227 123.053 122.820 0.010 0.000 1.978 476 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 476 A C 2.078 179.667 177.584 0.008 0.000 1.170 476 A CA 1.577 53.621 52.037 0.011 0.000 0.636 476 A CB -0.358 18.656 19.000 0.022 0.000 0.810 476 A HN 0.448 nan 8.150 nan 0.000 0.448 477 E N -1.501 118.704 120.200 0.008 0.000 2.479 477 E HA 0.206 4.555 4.350 -0.001 0.000 0.193 477 E C 1.145 177.745 176.600 0.001 0.000 1.049 477 E CA 0.591 56.995 56.400 0.007 0.000 0.870 477 E CB -0.040 29.666 29.700 0.010 0.000 0.944 477 E HN 0.799 nan 8.360 nan 0.000 0.492 478 G N 2.409 111.207 108.800 -0.004 0.000 2.143 478 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.248 478 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.248 478 G C 0.141 175.034 174.900 -0.012 0.000 0.991 478 G CA 0.362 45.456 45.100 -0.010 0.000 0.689 478 G HN 0.189 nan 8.290 nan 0.000 0.522 479 K N 0.618 121.014 120.400 -0.008 0.000 2.154 479 K HA 0.490 4.809 4.320 -0.001 0.000 0.264 479 K C 0.828 177.418 176.600 -0.016 0.000 1.008 479 K CA -0.339 55.943 56.287 -0.008 0.000 0.937 479 K CB 0.893 33.393 32.500 0.000 0.000 1.002 479 K HN 0.111 nan 8.250 nan 0.000 0.469 480 S N 0.701 116.390 115.700 -0.018 0.000 2.558 480 S HA -0.010 4.460 4.470 -0.001 0.000 0.291 480 S C 0.775 175.359 174.600 -0.028 0.000 1.306 480 S CA -0.423 57.757 58.200 -0.033 0.000 1.056 480 S CB 0.348 63.536 63.200 -0.020 0.000 0.836 480 S HN 0.542 nan 8.310 nan 0.000 0.504 481 V N 0.120 119.994 119.914 -0.068 0.000 3.276 481 V HA 0.712 4.831 4.120 -0.001 0.000 0.319 481 V C 0.458 176.439 176.094 -0.188 0.000 1.476 481 V CA 0.310 62.576 62.300 -0.056 0.000 1.097 481 V CB -0.149 31.643 31.823 -0.052 0.000 0.988 481 V HN 0.874 nan 8.190 nan 0.000 0.473 482 G N 0.775 109.382 108.800 -0.321 0.000 2.489 482 G HA2 0.558 4.517 3.960 -0.001 0.000 0.305 482 G HA3 0.558 4.517 3.960 -0.001 0.000 0.305 482 G C -0.885 173.695 174.900 -0.533 0.000 1.311 482 G CA -0.360 44.246 45.100 -0.823 0.000 0.813 482 G HN 0.688 nan 8.290 nan 0.000 0.480 483 I N -1.106 119.089 120.570 -0.626 0.000 3.004 483 I HA 0.502 4.671 4.170 -0.001 0.000 0.287 483 I C 0.304 176.321 176.117 -0.167 0.000 1.144 483 I CA -0.641 60.520 61.300 -0.233 0.000 1.353 483 I CB 0.480 38.403 38.000 -0.128 0.000 1.417 483 I HN 0.386 nan 8.210 nan 0.000 0.602 484 I N 4.082 124.600 120.570 -0.086 0.000 2.752 484 I HA 0.120 4.289 4.170 -0.001 0.000 0.286 484 I C 1.290 177.359 176.117 -0.080 0.000 1.180 484 I CA 1.534 62.792 61.300 -0.070 0.000 1.404 484 I CB -0.284 37.693 38.000 -0.038 0.000 1.389 484 I HN 1.078 nan 8.210 nan 0.000 0.549 485 G N 3.889 112.636 108.800 -0.088 0.000 2.659 485 G HA2 0.057 4.016 3.960 -0.001 0.000 0.202 485 G HA3 0.057 4.016 3.960 -0.001 0.000 0.202 485 G C 0.407 175.243 174.900 -0.106 0.000 1.186 485 G CA -0.243 44.806 45.100 -0.085 0.000 0.783 485 G HN 1.589 nan 8.290 nan 0.000 0.521 486 A N 0.000 122.733 122.820 -0.145 0.000 2.254 486 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 486 A CA 0.000 51.941 52.037 -0.161 0.000 0.836 486 A CB 0.000 18.913 19.000 -0.146 0.000 0.831 486 A HN 0.000 nan 8.150 nan 0.000 0.486