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 2fyp_1_A DATA FIRST_RESID 65 DATA SEQUENCE GSHMLREKSE KFAFQAEVNR MMKLIINSLY KNKEIFLREL ISNASDALDK DATA SEQUENCE IRLISLTDEN ALAGNEELTV KIKCDKEKNL LHVTDTGVGM TREELVKNLG DATA SEQUENCE TIAKSGTSEF LNKMTEAQED GQSTSELIGQ FGVGFYSAFL VADKVIVTSK DATA SEQUENCE HNNDTQHIWE SDSNEFSVIA DPRGNTLGRG TTITLVLKEE ASDYLELDTI DATA SEQUENCE KNLVKKYSQF INFPIYVWSS KTXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXKTVWDWE LMN 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 65 G HA2 0.000 nan 3.960 nan 0.000 0.244 65 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 65 G C 0.000 175.013 174.900 0.189 0.000 0.946 65 G CA 0.000 45.229 45.100 0.215 0.000 0.502 66 S N 0.123 115.918 115.700 0.159 0.000 2.572 66 S HA 0.090 4.560 4.470 -0.000 0.000 0.228 66 S C 1.771 176.388 174.600 0.029 0.000 0.963 66 S CA 0.371 58.599 58.200 0.047 0.000 0.939 66 S CB -0.433 62.785 63.200 0.030 0.000 0.804 66 S HN 0.740 nan 8.310 nan 0.000 0.480 67 H N 1.672 120.735 119.070 -0.010 0.000 2.321 67 H HA 0.002 4.558 4.556 -0.000 0.000 0.300 67 H C 1.938 177.255 175.328 -0.019 0.000 1.087 67 H CA 1.441 57.481 56.048 -0.014 0.000 1.319 67 H CB -0.908 28.848 29.762 -0.010 0.000 1.379 67 H HN 0.518 nan 8.280 nan 0.000 0.501 68 M N 0.377 119.503 119.600 -0.790 0.000 2.080 68 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 68 M C 2.346 178.511 176.300 -0.225 0.000 1.068 68 M CA 1.697 56.715 55.300 -0.470 0.000 1.109 68 M CB -0.091 32.201 32.600 -0.515 0.000 1.342 68 M HN 0.264 nan 8.290 nan 0.000 0.405 69 L N 0.457 121.569 121.223 -0.185 0.000 2.027 69 L HA -0.104 4.235 4.340 -0.000 0.000 0.206 69 L C 2.303 179.122 176.870 -0.085 0.000 1.074 69 L CA 1.842 56.616 54.840 -0.110 0.000 0.745 69 L CB -0.587 41.424 42.059 -0.081 0.000 0.898 69 L HN 0.252 nan 8.230 nan 0.000 0.433 70 R N -0.461 119.997 120.500 -0.069 0.000 2.237 70 R HA -0.071 4.269 4.340 -0.000 0.000 0.219 70 R C 1.410 177.680 176.300 -0.050 0.000 1.080 70 R CA 1.184 57.256 56.100 -0.046 0.000 0.995 70 R CB -0.121 30.167 30.300 -0.021 0.000 0.875 70 R HN 0.536 nan 8.270 nan 0.000 0.462 71 E N 0.008 120.170 120.200 -0.065 0.000 2.481 71 E HA 0.053 4.403 4.350 -0.000 0.000 0.198 71 E C 0.290 176.828 176.600 -0.103 0.000 1.027 71 E CA 0.307 56.667 56.400 -0.067 0.000 0.900 71 E CB 0.824 30.496 29.700 -0.046 0.000 0.993 71 E HN 0.235 nan 8.360 nan 0.000 0.482 72 K N 0.828 121.158 120.400 -0.116 0.000 3.069 72 K HA -0.238 4.082 4.320 -0.000 0.000 0.267 72 K C 0.969 177.439 176.600 -0.216 0.000 1.082 72 K CA 1.160 57.357 56.287 -0.150 0.000 0.782 72 K CB -3.353 29.061 32.500 -0.144 0.000 1.230 72 K HN 0.392 nan 8.250 nan 0.000 0.488 73 S N -1.139 114.445 115.700 -0.193 0.000 2.653 73 S HA 0.006 4.476 4.470 -0.000 0.000 0.233 73 S C 1.192 175.620 174.600 -0.287 0.000 0.970 73 S CA 0.914 58.975 58.200 -0.231 0.000 0.947 73 S CB 0.050 63.173 63.200 -0.129 0.000 0.771 73 S HN 0.810 nan 8.310 nan 0.000 0.538 74 E N 0.354 120.405 120.200 -0.249 0.000 2.498 74 E HA 0.174 4.524 4.350 -0.000 0.000 0.203 74 E C -0.214 176.250 176.600 -0.226 0.000 1.013 74 E CA -0.092 56.233 56.400 -0.125 0.000 0.927 74 E CB 0.381 30.069 29.700 -0.020 0.000 1.012 74 E HN 0.292 nan 8.360 nan 0.000 0.482 75 K N 0.898 121.000 120.400 -0.497 0.000 2.138 75 K HA 0.461 4.781 4.320 -0.000 0.000 0.263 75 K C -0.670 175.391 176.600 -0.899 0.000 0.965 75 K CA -0.260 55.736 56.287 -0.485 0.000 0.868 75 K CB 1.166 33.471 32.500 -0.325 0.000 1.083 75 K HN -0.138 nan 8.250 nan 0.000 0.443 76 F N -0.295 119.242 119.950 -0.688 0.000 2.626 76 F HA 0.515 5.042 4.527 -0.000 0.000 0.311 76 F C 0.012 175.318 175.800 -0.822 0.000 1.088 76 F CA -1.173 56.321 58.000 -0.844 0.000 0.949 76 F CB 1.633 39.825 39.000 -1.348 0.000 1.322 76 F HN 0.465 nan 8.300 nan 0.000 0.461 77 A N 1.193 123.869 122.820 -0.240 0.000 2.312 77 A HA 0.771 5.091 4.320 -0.000 0.000 0.328 77 A C -1.142 176.503 177.584 0.103 0.000 1.158 77 A CA -0.469 51.531 52.037 -0.061 0.000 0.821 77 A CB 0.371 19.386 19.000 0.026 0.000 1.170 77 A HN 0.572 nan 8.150 nan 0.000 0.490 78 F N 0.548 120.665 119.950 0.279 0.000 2.410 78 F HA 0.257 4.784 4.527 -0.000 0.000 0.334 78 F C 1.255 177.184 175.800 0.215 0.000 1.134 78 F CA 0.519 58.737 58.000 0.364 0.000 1.227 78 F CB 0.894 40.069 39.000 0.291 0.000 1.194 78 F HN 0.697 nan 8.300 nan 0.000 0.571 79 Q N 1.839 121.892 119.800 0.421 0.000 2.392 79 Q HA 0.220 4.560 4.340 -0.000 0.000 0.262 79 Q C 0.932 177.052 176.000 0.199 0.000 1.003 79 Q CA 0.089 56.043 55.803 0.251 0.000 0.888 79 Q CB 1.424 30.290 28.738 0.214 0.000 1.260 79 Q HN 0.901 nan 8.270 nan 0.000 0.435 80 A N 3.786 126.685 122.820 0.133 0.000 1.903 80 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 80 A C 1.636 179.254 177.584 0.056 0.000 1.191 80 A CA 2.169 54.258 52.037 0.085 0.000 0.638 80 A CB -0.589 18.448 19.000 0.063 0.000 0.823 80 A HN 0.942 nan 8.150 nan 0.000 0.451 81 E N -0.433 119.806 120.200 0.066 0.000 2.118 81 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 81 E C 1.931 178.538 176.600 0.012 0.000 0.992 81 E CA 1.241 57.671 56.400 0.049 0.000 0.804 81 E CB -0.428 29.322 29.700 0.083 0.000 0.741 81 E HN 0.409 nan 8.360 nan 0.000 0.458 82 V N 1.508 121.433 119.914 0.018 0.000 2.358 82 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 82 V C 1.767 177.714 176.094 -0.245 0.000 1.047 82 V CA 1.592 63.819 62.300 -0.121 0.000 1.035 82 V CB -0.517 31.322 31.823 0.026 0.000 0.658 82 V HN 0.288 nan 8.190 nan 0.000 0.452 83 N N 0.632 119.251 118.700 -0.134 0.000 2.069 83 N HA -0.154 4.585 4.740 -0.000 0.000 0.191 83 N C 1.997 177.417 175.510 -0.151 0.000 1.031 83 N CA 1.489 54.435 53.050 -0.173 0.000 0.852 83 N CB -0.331 38.119 38.487 -0.061 0.000 1.018 83 N HN 0.494 nan 8.380 nan 0.000 0.423 84 R N 0.391 120.836 120.500 -0.092 0.000 2.096 84 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 84 R C 2.285 178.531 176.300 -0.089 0.000 1.127 84 R CA 0.927 56.983 56.100 -0.075 0.000 0.968 84 R CB -0.275 29.999 30.300 -0.043 0.000 0.861 84 R HN 0.269 nan 8.270 nan 0.000 0.440 85 M N 0.379 119.916 119.600 -0.105 0.000 2.099 85 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 85 M C 2.150 178.378 176.300 -0.120 0.000 1.067 85 M CA 1.652 56.900 55.300 -0.087 0.000 1.124 85 M CB 0.061 32.614 32.600 -0.079 0.000 1.353 85 M HN 0.128 nan 8.290 nan 0.000 0.410 86 M N -0.076 119.381 119.600 -0.238 0.000 2.108 86 M HA -0.265 4.215 4.480 -0.000 0.000 0.261 86 M C 1.997 178.239 176.300 -0.097 0.000 1.066 86 M CA 1.880 57.068 55.300 -0.186 0.000 1.107 86 M CB -0.458 31.947 32.600 -0.325 0.000 1.356 86 M HN 0.223 nan 8.290 nan 0.000 0.406 87 K N 0.353 120.685 120.400 -0.113 0.000 2.057 87 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 87 K C 1.898 178.469 176.600 -0.047 0.000 1.049 87 K CA 1.117 57.358 56.287 -0.076 0.000 0.931 87 K CB -0.250 32.203 32.500 -0.077 0.000 0.714 87 K HN 0.306 nan 8.250 nan 0.000 0.440 88 L N 0.899 122.092 121.223 -0.050 0.000 2.017 88 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 88 L C 2.379 179.241 176.870 -0.014 0.000 1.073 88 L CA 1.277 56.091 54.840 -0.044 0.000 0.745 88 L CB -0.427 41.592 42.059 -0.067 0.000 0.894 88 L HN 0.193 nan 8.230 nan 0.000 0.432 89 I N -0.143 120.438 120.570 0.018 0.000 2.127 89 I HA -0.348 3.822 4.170 -0.000 0.000 0.241 89 I C 2.431 178.577 176.117 0.050 0.000 1.075 89 I CA 1.649 62.985 61.300 0.061 0.000 1.334 89 I CB -0.276 37.796 38.000 0.121 0.000 1.040 89 I HN 0.201 nan 8.210 nan 0.000 0.405 90 I N 0.718 121.311 120.570 0.039 0.000 2.361 90 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 90 I C 1.781 177.910 176.117 0.021 0.000 1.133 90 I CA 1.741 63.062 61.300 0.035 0.000 1.413 90 I CB -0.534 37.478 38.000 0.021 0.000 1.073 90 I HN 0.333 nan 8.210 nan 0.000 0.424 91 N N -0.475 118.228 118.700 0.005 0.000 2.416 91 N HA -0.046 4.694 4.740 -0.000 0.000 0.177 91 N C 1.741 177.253 175.510 0.003 0.000 1.036 91 N CA 0.601 53.651 53.050 -0.001 0.000 0.901 91 N CB 0.241 38.719 38.487 -0.015 0.000 0.976 91 N HN 0.158 nan 8.380 nan 0.000 0.444 92 S N 0.396 116.100 115.700 0.006 0.000 2.427 92 S HA 0.191 4.661 4.470 -0.000 0.000 0.224 92 S C 1.384 175.999 174.600 0.024 0.000 1.047 92 S CA 0.327 58.531 58.200 0.007 0.000 0.953 92 S CB 0.271 63.468 63.200 -0.004 0.000 0.824 92 S HN 0.183 nan 8.310 nan 0.000 0.502 93 L N 1.262 122.508 121.223 0.038 0.000 2.685 93 L HA 0.244 4.584 4.340 -0.000 0.000 0.233 93 L C 2.289 179.195 176.870 0.060 0.000 1.173 93 L CA 0.057 54.929 54.840 0.053 0.000 0.961 93 L CB -1.169 40.929 42.059 0.066 0.000 1.217 93 L HN 0.468 nan 8.230 nan 0.000 0.478 94 Y N 0.511 120.839 120.300 0.048 0.000 2.298 94 Y HA -0.286 4.264 4.550 -0.000 0.000 0.287 94 Y C 2.492 178.428 175.900 0.060 0.000 1.164 94 Y CA 2.042 60.172 58.100 0.050 0.000 1.229 94 Y CB -0.888 37.594 38.460 0.036 0.000 0.977 94 Y HN 0.430 nan 8.280 nan 0.000 0.538 95 K N -0.246 120.188 120.400 0.057 0.000 2.314 95 K HA 0.135 4.455 4.320 -0.000 0.000 0.198 95 K C 0.765 177.413 176.600 0.079 0.000 1.045 95 K CA 0.915 57.238 56.287 0.060 0.000 0.988 95 K CB -0.029 32.498 32.500 0.047 0.000 0.783 95 K HN 0.591 nan 8.250 nan 0.000 0.484 96 N N 0.380 119.134 118.700 0.089 0.000 2.765 96 N HA 0.198 4.938 4.740 -0.000 0.000 0.277 96 N C 0.109 175.702 175.510 0.139 0.000 1.750 96 N CA -0.225 52.892 53.050 0.112 0.000 0.827 96 N CB 0.615 39.157 38.487 0.092 0.000 1.200 96 N HN 0.282 nan 8.380 nan 0.000 0.494 97 K N 0.130 120.635 120.400 0.175 0.000 2.147 97 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 97 K C 1.299 178.093 176.600 0.323 0.000 1.049 97 K CA 1.230 57.646 56.287 0.214 0.000 0.936 97 K CB 0.212 32.842 32.500 0.216 0.000 0.722 97 K HN 0.586 nan 8.250 nan 0.000 0.446 98 E N 1.718 122.126 120.200 0.347 0.000 2.333 98 E HA -0.209 4.141 4.350 -0.000 0.000 0.200 98 E C 1.684 178.314 176.600 0.049 0.000 1.010 98 E CA 1.219 57.811 56.400 0.320 0.000 0.841 98 E CB -0.696 29.229 29.700 0.375 0.000 0.757 98 E HN 0.479 nan 8.360 nan 0.000 0.508 99 I N -0.365 120.233 120.570 0.047 0.000 2.916 99 I HA -0.090 4.080 4.170 -0.000 0.000 0.267 99 I C 2.159 178.136 176.117 -0.235 0.000 1.263 99 I CA 0.582 61.792 61.300 -0.150 0.000 1.471 99 I CB -0.934 37.032 38.000 -0.057 0.000 1.089 99 I HN 0.149 nan 8.210 nan 0.000 0.468 100 F N 0.549 120.416 119.950 -0.140 0.000 2.171 100 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 100 F C 1.945 177.644 175.800 -0.168 0.000 1.090 100 F CA 1.205 59.106 58.000 -0.165 0.000 1.293 100 F CB -1.194 37.685 39.000 -0.202 0.000 1.013 100 F HN 0.154 nan 8.300 nan 0.000 0.486 101 L N 1.229 121.542 121.223 -1.517 0.000 2.046 101 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 101 L C 2.816 179.401 176.870 -0.476 0.000 1.077 101 L CA 1.800 56.063 54.840 -0.962 0.000 0.747 101 L CB -0.981 40.591 42.059 -0.812 0.000 0.896 101 L HN 0.320 nan 8.230 nan 0.000 0.432 102 R N -0.774 119.296 120.500 -0.716 0.000 2.091 102 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 102 R C 1.995 178.085 176.300 -0.351 0.000 1.136 102 R CA 1.535 57.178 56.100 -0.761 0.000 0.959 102 R CB -0.115 29.393 30.300 -1.321 0.000 0.856 102 R HN 0.399 nan 8.270 nan 0.000 0.437 103 E N 0.801 120.834 120.200 -0.277 0.000 2.072 103 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 103 E C 2.147 178.698 176.600 -0.081 0.000 0.985 103 E CA 0.934 57.255 56.400 -0.132 0.000 0.801 103 E CB -0.213 29.444 29.700 -0.070 0.000 0.750 103 E HN 0.422 nan 8.360 nan 0.000 0.452 104 L N 0.437 121.613 121.223 -0.079 0.000 2.056 104 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 104 L C 2.547 179.400 176.870 -0.028 0.000 1.078 104 L CA 0.824 55.652 54.840 -0.019 0.000 0.749 104 L CB -0.384 41.686 42.059 0.019 0.000 0.901 104 L HN 0.083 nan 8.230 nan 0.000 0.433 105 I N -0.947 119.593 120.570 -0.050 0.000 2.315 105 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 105 I C 2.818 178.926 176.117 -0.016 0.000 1.117 105 I CA 1.169 62.459 61.300 -0.016 0.000 1.404 105 I CB -0.208 37.797 38.000 0.007 0.000 1.071 105 I HN 0.214 nan 8.210 nan 0.000 0.419 106 S N 1.028 116.704 115.700 -0.040 0.000 2.368 106 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 106 S C 1.850 176.432 174.600 -0.029 0.000 1.029 106 S CA 1.534 59.717 58.200 -0.028 0.000 0.988 106 S CB -0.218 62.953 63.200 -0.048 0.000 0.838 106 S HN 0.398 nan 8.310 nan 0.000 0.462 107 N N 1.862 120.537 118.700 -0.042 0.000 2.120 107 N HA 0.030 4.770 4.740 -0.000 0.000 0.188 107 N C 1.889 177.358 175.510 -0.069 0.000 1.024 107 N CA 1.326 54.340 53.050 -0.059 0.000 0.852 107 N CB -0.915 37.536 38.487 -0.060 0.000 1.003 107 N HN 0.494 nan 8.380 nan 0.000 0.424 108 A N 0.336 123.122 122.820 -0.057 0.000 1.883 108 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 108 A C 2.460 179.981 177.584 -0.104 0.000 1.186 108 A CA 2.171 54.162 52.037 -0.077 0.000 0.624 108 A CB -1.138 17.834 19.000 -0.048 0.000 0.822 108 A HN 0.340 nan 8.150 nan 0.000 0.444 109 S N -0.296 115.384 115.700 -0.033 0.000 2.370 109 S HA -0.229 4.241 4.470 -0.000 0.000 0.226 109 S C 1.699 176.305 174.600 0.010 0.000 1.033 109 S CA 1.947 60.175 58.200 0.046 0.000 1.011 109 S CB -0.600 62.685 63.200 0.141 0.000 0.852 109 S HN 0.563 nan 8.310 nan 0.000 0.457 110 D N 1.337 121.728 120.400 -0.015 0.000 2.097 110 D HA -0.001 4.639 4.640 -0.000 0.000 0.195 110 D C 2.260 178.513 176.300 -0.078 0.000 0.989 110 D CA 1.386 55.369 54.000 -0.027 0.000 0.827 110 D CB -0.762 40.010 40.800 -0.046 0.000 0.966 110 D HN 0.502 nan 8.370 nan 0.000 0.456 111 A N 0.340 123.087 122.820 -0.122 0.000 1.972 111 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 111 A C 2.329 179.788 177.584 -0.208 0.000 1.169 111 A CA 0.934 52.881 52.037 -0.149 0.000 0.635 111 A CB -0.675 18.233 19.000 -0.153 0.000 0.810 111 A HN 0.226 nan 8.150 nan 0.000 0.446 112 L N -0.840 120.180 121.223 -0.338 0.000 2.179 112 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 112 L C 1.891 178.547 176.870 -0.357 0.000 1.096 112 L CA 0.970 55.447 54.840 -0.605 0.000 0.779 112 L CB -0.421 40.779 42.059 -1.432 0.000 0.922 112 L HN 0.252 nan 8.230 nan 0.000 0.443 113 D N 0.373 120.726 120.400 -0.078 0.000 2.144 113 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 113 D C 2.147 178.464 176.300 0.029 0.000 0.978 113 D CA 1.082 55.163 54.000 0.136 0.000 0.833 113 D CB 0.063 40.948 40.800 0.142 0.000 0.961 113 D HN 0.275 nan 8.370 nan 0.000 0.470 114 K N 0.189 120.569 120.400 -0.034 0.000 2.026 114 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 114 K C 2.101 178.670 176.600 -0.052 0.000 1.048 114 K CA 0.591 56.853 56.287 -0.042 0.000 0.929 114 K CB -0.099 32.366 32.500 -0.060 0.000 0.713 114 K HN 0.054 nan 8.250 nan 0.000 0.439 115 I N 1.466 121.983 120.570 -0.089 0.000 2.493 115 I HA -0.178 3.992 4.170 -0.000 0.000 0.254 115 I C 2.282 178.369 176.117 -0.050 0.000 1.160 115 I CA 1.140 62.385 61.300 -0.093 0.000 1.445 115 I CB -0.152 37.768 38.000 -0.134 0.000 1.086 115 I HN 0.039 nan 8.210 nan 0.000 0.433 116 R N -0.080 120.410 120.500 -0.017 0.000 2.075 116 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 116 R C 2.279 178.595 176.300 0.026 0.000 1.126 116 R CA 1.582 57.707 56.100 0.041 0.000 0.963 116 R CB -0.280 30.109 30.300 0.148 0.000 0.858 116 R HN 0.361 nan 8.270 nan 0.000 0.435 117 L N 0.337 121.572 121.223 0.019 0.000 2.017 117 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 117 L C 2.419 179.286 176.870 -0.004 0.000 1.073 117 L CA 1.361 56.207 54.840 0.009 0.000 0.745 117 L CB -0.362 41.700 42.059 0.005 0.000 0.894 117 L HN 0.248 nan 8.230 nan 0.000 0.432 118 I N -0.250 120.310 120.570 -0.015 0.000 2.264 118 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 118 I C 2.723 178.828 176.117 -0.020 0.000 1.111 118 I CA 1.637 62.923 61.300 -0.022 0.000 1.382 118 I CB -0.350 37.626 38.000 -0.040 0.000 1.060 118 I HN 0.365 nan 8.210 nan 0.000 0.418 119 S N 0.963 116.651 115.700 -0.020 0.000 2.469 119 S HA -0.092 4.378 4.470 -0.000 0.000 0.238 119 S C 1.903 176.499 174.600 -0.007 0.000 0.998 119 S CA 0.720 58.911 58.200 -0.015 0.000 0.957 119 S CB -0.680 62.513 63.200 -0.012 0.000 0.764 119 S HN 0.442 nan 8.310 nan 0.000 0.514 120 L N 1.528 122.749 121.223 -0.003 0.000 2.056 120 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 120 L C 2.915 179.783 176.870 -0.004 0.000 1.078 120 L CA 1.686 56.526 54.840 -0.001 0.000 0.749 120 L CB -0.965 41.095 42.059 0.001 0.000 0.901 120 L HN 0.626 nan 8.230 nan 0.000 0.433 121 T N -5.823 108.727 114.554 -0.006 0.000 3.001 121 T HA 0.058 4.408 4.350 -0.000 0.000 0.251 121 T C 0.408 175.103 174.700 -0.007 0.000 1.040 121 T CA -0.300 61.797 62.100 -0.006 0.000 0.985 121 T CB 0.203 69.068 68.868 -0.005 0.000 1.011 121 T HN -0.015 nan 8.240 nan 0.000 0.509 122 D N 1.332 121.726 120.400 -0.010 0.000 2.460 122 D HA 0.460 5.100 4.640 -0.000 0.000 0.232 122 D C 1.165 177.457 176.300 -0.014 0.000 1.079 122 D CA -0.030 53.963 54.000 -0.012 0.000 0.864 122 D CB 1.529 42.319 40.800 -0.017 0.000 1.048 122 D HN 0.312 nan 8.370 nan 0.000 0.523 123 E N 3.363 123.556 120.200 -0.011 0.000 2.209 123 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 123 E C 1.024 177.616 176.600 -0.014 0.000 0.993 123 E CA 1.151 57.545 56.400 -0.010 0.000 0.819 123 E CB -0.513 29.183 29.700 -0.007 0.000 0.745 123 E HN 0.497 nan 8.360 nan 0.000 0.477 124 N N -0.448 118.242 118.700 -0.016 0.000 2.270 124 N HA 0.278 5.017 4.740 -0.000 0.000 0.198 124 N C 1.841 177.333 175.510 -0.031 0.000 1.117 124 N CA 0.712 53.750 53.050 -0.020 0.000 0.845 124 N CB 0.623 39.101 38.487 -0.015 0.000 0.980 124 N HN 0.457 nan 8.380 nan 0.000 0.486 125 A N 1.195 123.994 122.820 -0.035 0.000 1.903 125 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 125 A C 1.786 179.332 177.584 -0.063 0.000 1.191 125 A CA 1.149 53.154 52.037 -0.054 0.000 0.638 125 A CB -0.564 18.407 19.000 -0.048 0.000 0.823 125 A HN 0.284 nan 8.150 nan 0.000 0.451 126 L N -0.779 120.416 121.223 -0.047 0.000 2.685 126 L HA 0.217 4.557 4.340 -0.000 0.000 0.233 126 L C 2.329 179.174 176.870 -0.041 0.000 1.173 126 L CA 0.195 55.006 54.840 -0.048 0.000 0.961 126 L CB -0.236 41.802 42.059 -0.036 0.000 1.217 126 L HN 0.401 nan 8.230 nan 0.000 0.478 127 A N 0.778 123.575 122.820 -0.038 0.000 1.933 127 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 127 A C 2.337 179.902 177.584 -0.032 0.000 1.175 127 A CA 1.778 53.797 52.037 -0.030 0.000 0.628 127 A CB -0.753 18.232 19.000 -0.025 0.000 0.814 127 A HN 0.452 nan 8.150 nan 0.000 0.444 128 G N -1.611 107.164 108.800 -0.042 0.000 2.484 128 G HA2 0.030 3.990 3.960 -0.000 0.000 0.218 128 G HA3 0.030 3.990 3.960 -0.000 0.000 0.218 128 G C 0.499 175.373 174.900 -0.043 0.000 1.130 128 G CA 0.822 45.898 45.100 -0.041 0.000 0.784 128 G HN 0.504 nan 8.290 nan 0.000 0.543 129 N N -1.636 117.035 118.700 -0.049 0.000 2.777 129 N HA 0.260 5.000 4.740 -0.000 0.000 0.260 129 N C 0.592 176.074 175.510 -0.048 0.000 1.113 129 N CA 0.487 53.506 53.050 -0.051 0.000 0.996 129 N CB 0.857 39.306 38.487 -0.064 0.000 1.584 129 N HN 0.071 nan 8.380 nan 0.000 0.573 130 E N 2.026 122.204 120.200 -0.037 0.000 2.274 130 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 130 E C 0.616 177.201 176.600 -0.025 0.000 0.996 130 E CA 1.133 57.516 56.400 -0.028 0.000 0.840 130 E CB -0.361 29.328 29.700 -0.018 0.000 0.772 130 E HN 0.771 nan 8.360 nan 0.000 0.491 131 E N -0.922 119.257 120.200 -0.035 0.000 2.280 131 E HA 0.552 4.902 4.350 -0.000 0.000 0.264 131 E C -0.459 176.118 176.600 -0.038 0.000 1.064 131 E CA -0.747 55.638 56.400 -0.026 0.000 0.900 131 E CB 1.274 30.949 29.700 -0.041 0.000 1.123 131 E HN 0.219 nan 8.360 nan 0.000 0.418 132 L N 2.277 123.498 121.223 -0.003 0.000 2.433 132 L HA 0.343 4.683 4.340 -0.000 0.000 0.256 132 L C -0.496 176.378 176.870 0.008 0.000 1.063 132 L CA -0.419 54.395 54.840 -0.042 0.000 0.922 132 L CB 1.082 43.172 42.059 0.052 0.000 1.238 132 L HN 0.793 nan 8.230 nan 0.000 0.466 133 T N -1.203 113.321 114.554 -0.049 0.000 2.838 133 T HA 0.759 5.109 4.350 -0.000 0.000 0.292 133 T C -0.698 173.978 174.700 -0.039 0.000 1.113 133 T CA -0.790 61.323 62.100 0.022 0.000 1.008 133 T CB 2.516 71.434 68.868 0.084 0.000 1.259 133 T HN -0.069 nan 8.240 nan 0.000 0.520 134 V N 1.328 121.253 119.914 0.017 0.000 2.482 134 V HA 0.561 4.681 4.120 -0.000 0.000 0.295 134 V C -0.626 175.497 176.094 0.048 0.000 1.026 134 V CA -0.785 61.518 62.300 0.004 0.000 0.856 134 V CB 1.530 33.362 31.823 0.016 0.000 1.001 134 V HN 0.876 nan 8.190 nan 0.000 0.424 135 K N 5.393 125.792 120.400 -0.002 0.000 2.376 135 K HA 0.721 5.041 4.320 -0.000 0.000 0.257 135 K C -1.210 175.533 176.600 0.238 0.000 0.939 135 K CA -0.497 55.790 56.287 -0.001 0.000 0.809 135 K CB 2.564 34.736 32.500 -0.546 0.000 1.121 135 K HN 0.529 nan 8.250 nan 0.000 0.425 136 I N 2.986 123.816 120.570 0.434 0.000 2.404 136 I HA 0.337 4.507 4.170 -0.000 0.000 0.293 136 I C -0.480 175.946 176.117 0.515 0.000 0.992 136 I CA -0.773 60.770 61.300 0.405 0.000 1.149 136 I CB 1.544 39.728 38.000 0.307 0.000 1.315 136 I HN 0.330 nan 8.210 nan 0.000 0.446 137 K N 5.289 125.937 120.400 0.414 0.000 2.471 137 K HA 0.524 4.844 4.320 -0.000 0.000 0.252 137 K C -1.606 175.177 176.600 0.304 0.000 0.938 137 K CA -0.614 55.890 56.287 0.362 0.000 0.796 137 K CB 2.328 34.969 32.500 0.236 0.000 1.161 137 K HN 0.526 nan 8.250 nan 0.000 0.425 138 C N 1.816 121.281 119.300 0.275 0.000 2.273 138 C HA 0.267 4.727 4.460 -0.000 0.000 0.328 138 C C 0.092 175.174 174.990 0.153 0.000 1.275 138 C CA -0.630 58.510 59.018 0.204 0.000 1.704 138 C CB -0.028 27.843 27.740 0.219 0.000 2.326 138 C HN 0.695 nan 8.230 nan 0.000 0.517 139 D N 2.132 122.595 120.400 0.104 0.000 2.460 139 D HA 0.262 4.902 4.640 -0.000 0.000 0.268 139 D C 0.990 177.319 176.300 0.048 0.000 1.153 139 D CA -0.134 53.906 54.000 0.066 0.000 0.929 139 D CB 0.781 41.634 40.800 0.089 0.000 1.015 139 D HN 0.663 nan 8.370 nan 0.000 0.502 140 K N 1.902 122.336 120.400 0.058 0.000 2.032 140 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 140 K C 1.967 178.589 176.600 0.037 0.000 1.048 140 K CA 2.254 58.574 56.287 0.056 0.000 0.927 140 K CB -1.320 31.223 32.500 0.071 0.000 0.712 140 K HN 0.528 nan 8.250 nan 0.000 0.441 141 E N 1.329 121.545 120.200 0.027 0.000 2.058 141 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 141 E C 2.256 178.867 176.600 0.019 0.000 0.997 141 E CA 2.054 58.465 56.400 0.019 0.000 0.801 141 E CB -0.485 29.219 29.700 0.007 0.000 0.746 141 E HN 0.637 nan 8.360 nan 0.000 0.450 142 K N -0.589 119.824 120.400 0.021 0.000 2.459 142 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 142 K C 0.751 177.360 176.600 0.015 0.000 1.030 142 K CA 0.585 56.885 56.287 0.022 0.000 1.026 142 K CB 0.219 32.741 32.500 0.037 0.000 0.809 142 K HN 0.466 nan 8.250 nan 0.000 0.504 143 N N 0.243 118.952 118.700 0.016 0.000 2.758 143 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 143 N C -1.516 173.984 175.510 -0.017 0.000 1.076 143 N CA 0.586 53.643 53.050 0.011 0.000 0.696 143 N CB -1.334 37.161 38.487 0.013 0.000 0.979 143 N HN 0.144 nan 8.380 nan 0.000 0.550 144 L N -0.273 120.923 121.223 -0.044 0.000 2.381 144 L HA 0.687 5.027 4.340 -0.000 0.000 0.268 144 L C -0.289 176.455 176.870 -0.210 0.000 0.997 144 L CA -1.216 53.527 54.840 -0.162 0.000 0.818 144 L CB 1.708 43.621 42.059 -0.243 0.000 1.310 144 L HN 0.071 nan 8.230 nan 0.000 0.416 145 L N 2.327 123.401 121.223 -0.249 0.000 2.341 145 L HA 0.554 4.894 4.340 -0.000 0.000 0.278 145 L C -0.884 175.844 176.870 -0.237 0.000 1.005 145 L CA 0.063 54.831 54.840 -0.119 0.000 0.818 145 L CB 1.113 43.195 42.059 0.039 0.000 1.259 145 L HN 0.434 nan 8.230 nan 0.000 0.418 146 H N 4.354 123.496 119.070 0.119 0.000 2.495 146 H HA 0.632 5.188 4.556 -0.000 0.000 0.348 146 H C -1.185 174.222 175.328 0.131 0.000 1.113 146 H CA -0.681 55.431 56.048 0.107 0.000 1.195 146 H CB 2.298 32.114 29.762 0.090 0.000 1.521 146 H HN 0.380 nan 8.280 nan 0.000 0.509 147 V N 3.479 123.528 119.914 0.226 0.000 2.419 147 V HA 0.194 4.314 4.120 -0.000 0.000 0.287 147 V C -0.041 176.121 176.094 0.113 0.000 1.017 147 V CA -0.554 61.843 62.300 0.161 0.000 0.844 147 V CB 1.559 33.455 31.823 0.122 0.000 1.011 147 V HN 0.778 nan 8.190 nan 0.000 0.429 148 T N 3.950 118.557 114.554 0.089 0.000 2.797 148 T HA 0.628 4.978 4.350 -0.000 0.000 0.279 148 T C -0.658 174.027 174.700 -0.024 0.000 0.991 148 T CA -0.528 61.587 62.100 0.025 0.000 0.979 148 T CB 1.551 70.424 68.868 0.008 0.000 0.943 148 T HN 0.923 nan 8.240 nan 0.000 0.444 149 D N -0.079 120.289 120.400 -0.054 0.000 2.527 149 D HA 0.439 5.079 4.640 -0.000 0.000 0.233 149 D C 0.331 176.562 176.300 -0.115 0.000 1.063 149 D CA -0.839 53.103 54.000 -0.096 0.000 0.880 149 D CB 1.056 41.786 40.800 -0.117 0.000 1.457 149 D HN 0.390 nan 8.370 nan 0.000 0.475 150 T N -1.222 113.245 114.554 -0.145 0.000 3.240 150 T HA 0.502 4.852 4.350 -0.000 0.000 0.248 150 T C 0.935 175.531 174.700 -0.173 0.000 0.929 150 T CA -0.565 61.452 62.100 -0.140 0.000 0.939 150 T CB -0.353 68.439 68.868 -0.126 0.000 1.114 150 T HN 0.526 nan 8.240 nan 0.000 0.558 151 G N 0.529 109.217 108.800 -0.186 0.000 2.486 151 G HA2 0.300 4.260 3.960 -0.000 0.000 0.272 151 G HA3 0.300 4.260 3.960 -0.000 0.000 0.272 151 G C 1.145 175.942 174.900 -0.171 0.000 1.426 151 G CA -0.142 44.834 45.100 -0.206 0.000 1.058 151 G HN 0.227 nan 8.290 nan 0.000 0.531 152 V N 0.112 119.928 119.914 -0.164 0.000 2.490 152 V HA 0.256 4.376 4.120 -0.000 0.000 0.250 152 V C 1.613 177.605 176.094 -0.170 0.000 1.061 152 V CA 2.720 64.913 62.300 -0.177 0.000 1.064 152 V CB -1.212 30.536 31.823 -0.126 0.000 0.670 152 V HN 2.125 nan 8.190 nan 0.000 0.461 153 G N -0.413 108.331 108.800 -0.094 0.000 2.760 153 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.246 153 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.246 153 G C -0.636 174.303 174.900 0.066 0.000 1.359 153 G CA 0.096 45.176 45.100 -0.034 0.000 0.861 153 G HN 0.560 nan 8.290 nan 0.000 0.541 154 M N 0.796 120.426 119.600 0.049 0.000 2.446 154 M HA 0.482 4.962 4.480 -0.000 0.000 0.294 154 M C 0.730 177.002 176.300 -0.047 0.000 1.158 154 M CA -0.363 54.926 55.300 -0.018 0.000 0.899 154 M CB 2.626 35.145 32.600 -0.136 0.000 1.687 154 M HN 1.110 nan 8.290 nan 0.000 0.455 155 T N -1.759 112.679 114.554 -0.192 0.000 2.754 155 T HA 0.302 4.652 4.350 -0.000 0.000 0.286 155 T C 1.020 175.580 174.700 -0.232 0.000 0.997 155 T CA -0.502 61.468 62.100 -0.217 0.000 0.982 155 T CB 1.213 69.891 68.868 -0.318 0.000 1.027 155 T HN 0.853 nan 8.240 nan 0.000 0.529 156 R N 0.337 120.622 120.500 -0.357 0.000 2.091 156 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 156 R C 2.051 178.206 176.300 -0.242 0.000 1.136 156 R CA 1.999 57.821 56.100 -0.463 0.000 0.959 156 R CB -0.456 29.363 30.300 -0.802 0.000 0.856 156 R HN 0.798 nan 8.270 nan 0.000 0.437 157 E N 0.475 120.553 120.200 -0.202 0.000 2.110 157 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 157 E C 1.832 178.337 176.600 -0.158 0.000 0.988 157 E CA 1.639 57.952 56.400 -0.145 0.000 0.804 157 E CB 0.009 29.639 29.700 -0.117 0.000 0.745 157 E HN 0.509 nan 8.360 nan 0.000 0.458 158 E N 0.107 120.195 120.200 -0.186 0.000 2.150 158 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 158 E C 2.026 178.487 176.600 -0.232 0.000 0.985 158 E CA 0.528 56.811 56.400 -0.195 0.000 0.814 158 E CB -0.065 29.514 29.700 -0.203 0.000 0.752 158 E HN 0.236 nan 8.360 nan 0.000 0.466 159 L N 0.475 121.560 121.223 -0.230 0.000 2.046 159 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 159 L C 2.444 179.142 176.870 -0.288 0.000 1.077 159 L CA 0.814 55.480 54.840 -0.290 0.000 0.747 159 L CB -0.363 41.616 42.059 -0.133 0.000 0.896 159 L HN 0.054 nan 8.230 nan 0.000 0.432 160 V N -0.024 119.782 119.914 -0.180 0.000 2.307 160 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 160 V C 2.511 178.517 176.094 -0.148 0.000 1.045 160 V CA 1.992 64.184 62.300 -0.181 0.000 1.024 160 V CB -0.458 31.157 31.823 -0.346 0.000 0.651 160 V HN 0.438 nan 8.190 nan 0.000 0.449 161 K N 0.156 120.474 120.400 -0.137 0.000 2.044 161 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 161 K C 1.973 178.508 176.600 -0.108 0.000 1.049 161 K CA 1.561 57.796 56.287 -0.086 0.000 0.945 161 K CB -0.138 32.316 32.500 -0.077 0.000 0.724 161 K HN 0.395 nan 8.250 nan 0.000 0.440 162 N N 0.765 119.354 118.700 -0.185 0.000 2.244 162 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 162 N C 1.597 176.952 175.510 -0.257 0.000 1.016 162 N CA 1.013 53.933 53.050 -0.216 0.000 0.866 162 N CB 0.031 38.352 38.487 -0.277 0.000 0.980 162 N HN 0.252 nan 8.380 nan 0.000 0.430 163 L N -1.373 119.622 121.223 -0.379 0.000 2.470 163 L HA 0.272 4.612 4.340 -0.000 0.000 0.219 163 L C 1.986 178.864 176.870 0.014 0.000 1.071 163 L CA 0.449 55.035 54.840 -0.425 0.000 0.850 163 L CB -0.068 41.289 42.059 -1.170 0.000 1.040 163 L HN 0.118 nan 8.230 nan 0.000 0.475 164 G N -0.296 108.444 108.800 -0.100 0.000 2.838 164 G HA2 0.038 3.998 3.960 -0.000 0.000 0.210 164 G HA3 0.038 3.998 3.960 -0.000 0.000 0.210 164 G C 0.656 175.753 174.900 0.327 0.000 1.153 164 G CA 0.802 45.965 45.100 0.105 0.000 0.778 164 G HN 0.350 nan 8.290 nan 0.000 0.539 165 T N -2.421 112.255 114.554 0.205 0.000 2.865 165 T HA 0.676 5.026 4.350 -0.000 0.000 0.294 165 T C -1.341 173.448 174.700 0.149 0.000 1.119 165 T CA -0.870 61.340 62.100 0.182 0.000 1.007 165 T CB 2.646 71.588 68.868 0.123 0.000 1.225 165 T HN 0.081 nan 8.240 nan 0.000 0.515 166 I N 0.657 121.307 120.570 0.134 0.000 2.608 166 I HA 0.851 5.021 4.170 -0.000 0.000 0.295 166 I C -0.052 176.119 176.117 0.090 0.000 1.049 166 I CA -0.637 60.736 61.300 0.121 0.000 1.063 166 I CB 1.426 39.537 38.000 0.186 0.000 1.248 166 I HN 1.138 nan 8.210 nan 0.000 0.424 167 A N 4.789 127.627 122.820 0.031 0.000 2.751 167 A HA 0.726 5.046 4.320 -0.000 0.000 0.201 167 A C 1.154 178.737 177.584 -0.003 0.000 1.619 167 A CA 0.756 52.805 52.037 0.020 0.000 1.607 167 A CB -0.756 18.232 19.000 -0.020 0.000 1.580 167 A HN 1.555 nan 8.150 nan 0.000 0.499 168 K N -1.950 118.394 120.400 -0.094 0.000 3.529 168 K HA 0.037 4.357 4.320 -0.000 0.000 0.313 168 K C 1.510 178.133 176.600 0.039 0.000 1.316 168 K CA 2.511 58.711 56.287 -0.145 0.000 0.988 168 K CB -3.016 29.144 32.500 -0.567 0.000 1.252 168 K HN 2.772 nan 8.250 nan 0.000 0.438 169 S N -2.565 113.186 115.700 0.084 0.000 3.319 169 S HA 0.072 4.542 4.470 -0.000 0.000 0.319 169 S C 2.070 176.763 174.600 0.154 0.000 1.236 169 S CA 2.208 60.470 58.200 0.102 0.000 0.964 169 S CB -1.984 61.251 63.200 0.058 0.000 1.040 169 S HN 2.573 nan 8.310 nan 0.000 0.620 170 G N -1.057 107.913 108.800 0.282 0.000 4.658 170 G HA2 0.473 4.433 3.960 -0.000 0.000 0.279 170 G HA3 0.473 4.433 3.960 -0.000 0.000 0.279 170 G C 0.695 175.722 174.900 0.211 0.000 0.997 170 G CA 1.283 46.546 45.100 0.271 0.000 0.765 170 G HN 0.468 nan 8.290 nan 0.000 0.442 171 T N 0.735 115.462 114.554 0.288 0.000 2.674 171 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 171 T C 2.745 177.458 174.700 0.021 0.000 1.039 171 T CA 1.953 64.166 62.100 0.188 0.000 1.150 171 T CB -0.111 68.904 68.868 0.244 0.000 0.864 171 T HN 0.238 nan 8.240 nan 0.000 0.427 172 S N 0.962 116.687 115.700 0.041 0.000 2.368 172 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 172 S C 2.699 177.284 174.600 -0.025 0.000 1.030 172 S CA 1.508 59.712 58.200 0.006 0.000 0.999 172 S CB -0.661 62.551 63.200 0.019 0.000 0.844 172 S HN 0.788 nan 8.310 nan 0.000 0.459 173 E N 0.735 120.929 120.200 -0.009 0.000 2.077 173 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 173 E C 1.662 178.232 176.600 -0.051 0.000 0.989 173 E CA 1.449 57.840 56.400 -0.014 0.000 0.800 173 E CB -0.959 28.755 29.700 0.024 0.000 0.746 173 E HN 0.596 nan 8.360 nan 0.000 0.452 174 F N 0.811 120.570 119.950 -0.317 0.000 2.367 174 F HA 0.204 4.731 4.527 -0.000 0.000 0.298 174 F C 2.716 178.331 175.800 -0.308 0.000 1.094 174 F CA 1.368 59.099 58.000 -0.449 0.000 1.409 174 F CB -0.159 38.176 39.000 -1.109 0.000 1.064 174 F HN 0.286 nan 8.300 nan 0.000 0.528 175 L N 0.038 121.136 121.223 -0.207 0.000 2.083 175 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 175 L C 2.116 178.862 176.870 -0.205 0.000 1.083 175 L CA 2.545 57.273 54.840 -0.187 0.000 0.752 175 L CB -2.648 39.364 42.059 -0.079 0.000 0.899 175 L HN 0.459 nan 8.230 nan 0.000 0.433 176 N N -0.075 118.527 118.700 -0.164 0.000 2.446 176 N HA 0.043 4.783 4.740 -0.000 0.000 0.179 176 N C 2.234 177.639 175.510 -0.175 0.000 1.054 176 N CA 1.855 54.824 53.050 -0.135 0.000 0.905 176 N CB -0.509 37.928 38.487 -0.083 0.000 0.973 176 N HN 0.872 nan 8.380 nan 0.000 0.448 177 K N -0.019 120.227 120.400 -0.256 0.000 2.167 177 K HA 0.261 4.581 4.320 -0.000 0.000 0.203 177 K C 2.051 178.422 176.600 -0.381 0.000 1.052 177 K CA 1.242 57.360 56.287 -0.281 0.000 0.956 177 K CB -0.470 31.866 32.500 -0.273 0.000 0.735 177 K HN 0.405 nan 8.250 nan 0.000 0.451 178 M N 1.089 120.355 119.600 -0.557 0.000 2.123 178 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 178 M C 2.333 178.483 176.300 -0.250 0.000 1.069 178 M CA 1.944 56.958 55.300 -0.478 0.000 1.133 178 M CB -0.865 31.407 32.600 -0.547 0.000 1.356 178 M HN 0.436 nan 8.290 nan 0.000 0.415 179 T N 0.909 115.339 114.554 -0.207 0.000 2.708 179 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 179 T C 2.072 176.708 174.700 -0.107 0.000 1.037 179 T CA 2.247 64.269 62.100 -0.130 0.000 1.146 179 T CB -0.607 68.197 68.868 -0.108 0.000 0.865 179 T HN 0.623 nan 8.240 nan 0.000 0.435 180 E N 1.180 121.312 120.200 -0.113 0.000 2.160 180 E HA 0.073 4.423 4.350 -0.000 0.000 0.195 180 E C 2.111 178.665 176.600 -0.077 0.000 0.991 180 E CA 1.384 57.734 56.400 -0.084 0.000 0.810 180 E CB -0.988 28.663 29.700 -0.081 0.000 0.742 180 E HN 0.651 nan 8.360 nan 0.000 0.466 181 A N -1.277 121.483 122.820 -0.101 0.000 2.238 181 A HA 0.423 4.743 4.320 -0.000 0.000 0.208 181 A C 2.149 179.695 177.584 -0.062 0.000 1.177 181 A CA 1.743 53.732 52.037 -0.079 0.000 0.804 181 A CB -0.094 18.846 19.000 -0.100 0.000 0.823 181 A HN 0.817 nan 8.150 nan 0.000 0.482 182 Q N -2.284 117.477 119.800 -0.065 0.000 2.086 182 Q HA 0.509 4.849 4.340 -0.000 0.000 0.220 182 Q C 0.725 176.701 176.000 -0.039 0.000 0.792 182 Q CA 1.046 56.821 55.803 -0.048 0.000 1.062 182 Q CB -0.734 27.972 28.738 -0.054 0.000 1.198 182 Q HN 0.924 nan 8.270 nan 0.000 0.466 183 E N -1.210 118.966 120.200 -0.040 0.000 2.508 183 E HA 0.314 4.664 4.350 -0.000 0.000 0.217 183 E C 1.144 177.729 176.600 -0.025 0.000 0.896 183 E CA 1.230 57.611 56.400 -0.032 0.000 1.118 183 E CB 0.135 29.813 29.700 -0.037 0.000 1.133 183 E HN 0.802 nan 8.360 nan 0.000 0.526 184 D N -0.518 119.866 120.400 -0.026 0.000 2.431 184 D HA 0.444 5.084 4.640 -0.000 0.000 0.213 184 D C 1.234 177.525 176.300 -0.015 0.000 1.130 184 D CA 0.515 54.503 54.000 -0.020 0.000 0.834 184 D CB -0.056 40.731 40.800 -0.021 0.000 0.985 184 D HN 1.279 nan 8.370 nan 0.000 0.504 185 G N -0.897 107.893 108.800 -0.016 0.000 2.438 185 G HA2 0.408 4.368 3.960 -0.000 0.000 0.272 185 G HA3 0.408 4.368 3.960 -0.000 0.000 0.272 185 G C 0.110 175.005 174.900 -0.008 0.000 0.991 185 G CA 1.075 46.169 45.100 -0.010 0.000 1.348 185 G HN 1.432 nan 8.290 nan 0.000 0.483 186 Q N -0.768 119.025 119.800 -0.012 0.000 3.017 186 Q HA 0.905 5.245 4.340 -0.000 0.000 0.299 186 Q C 0.330 176.328 176.000 -0.003 0.000 1.046 186 Q CA 0.213 56.011 55.803 -0.008 0.000 0.821 186 Q CB 1.301 30.029 28.738 -0.017 0.000 1.481 186 Q HN 1.815 nan 8.270 nan 0.000 0.494 187 S N -0.497 115.205 115.700 0.004 0.000 2.462 187 S HA 0.508 4.977 4.470 -0.000 0.000 0.294 187 S C 0.432 175.040 174.600 0.015 0.000 1.144 187 S CA 0.257 58.465 58.200 0.014 0.000 1.088 187 S CB 0.707 63.921 63.200 0.024 0.000 1.009 187 S HN 1.230 nan 8.310 nan 0.000 0.484 188 T N 0.879 115.445 114.554 0.020 0.000 3.085 188 T HA 0.161 4.511 4.350 -0.000 0.000 0.264 188 T C 1.600 176.343 174.700 0.071 0.000 1.019 188 T CA 0.326 62.443 62.100 0.028 0.000 0.910 188 T CB 0.165 69.032 68.868 -0.002 0.000 1.059 188 T HN 0.436 nan 8.240 nan 0.000 0.542 189 S N 1.424 117.159 115.700 0.059 0.000 2.368 189 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 189 S C 2.374 177.014 174.600 0.066 0.000 1.029 189 S CA 1.802 60.036 58.200 0.057 0.000 0.988 189 S CB -0.530 62.695 63.200 0.042 0.000 0.838 189 S HN 0.833 nan 8.310 nan 0.000 0.462 190 E N 0.768 121.010 120.200 0.071 0.000 2.299 190 E HA 0.226 4.576 4.350 -0.000 0.000 0.193 190 E C 1.973 178.647 176.600 0.124 0.000 0.998 190 E CA 0.727 57.173 56.400 0.076 0.000 0.851 190 E CB -0.731 29.007 29.700 0.063 0.000 0.795 190 E HN 0.662 nan 8.360 nan 0.000 0.492 191 L N 0.239 121.569 121.223 0.178 0.000 2.027 191 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 191 L C 3.003 180.139 176.870 0.444 0.000 1.074 191 L CA 1.664 56.709 54.840 0.341 0.000 0.745 191 L CB -0.493 41.766 42.059 0.333 0.000 0.898 191 L HN 0.567 nan 8.230 nan 0.000 0.433 192 I N -2.597 118.202 120.570 0.381 0.000 2.264 192 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 192 I C 2.367 178.583 176.117 0.164 0.000 1.111 192 I CA 1.702 63.206 61.300 0.340 0.000 1.382 192 I CB -1.149 37.003 38.000 0.254 0.000 1.060 192 I HN 0.115 nan 8.210 nan 0.000 0.418 193 G N 0.413 109.278 108.800 0.109 0.000 2.402 193 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 193 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 193 G C 1.612 176.523 174.900 0.019 0.000 1.162 193 G CA 0.640 45.766 45.100 0.043 0.000 0.777 193 G HN 0.525 nan 8.290 nan 0.000 0.539 194 Q N -0.979 118.849 119.800 0.047 0.000 2.096 194 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 194 Q C 2.049 178.027 176.000 -0.036 0.000 0.982 194 Q CA 1.132 56.950 55.803 0.025 0.000 0.850 194 Q CB -0.197 28.591 28.738 0.083 0.000 0.901 194 Q HN 0.491 nan 8.270 nan 0.000 0.422 195 F N -0.196 119.532 119.950 -0.369 0.000 2.797 195 F HA 0.206 4.733 4.527 -0.000 0.000 0.302 195 F C 1.035 176.650 175.800 -0.308 0.000 1.130 195 F CA 0.842 58.498 58.000 -0.573 0.000 1.387 195 F CB 0.281 38.355 39.000 -1.544 0.000 1.107 195 F HN 0.142 nan 8.300 nan 0.000 0.577 196 G N 0.900 109.590 108.800 -0.183 0.000 2.198 196 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 196 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 196 G C 0.445 175.304 174.900 -0.068 0.000 1.042 196 G CA 0.456 45.459 45.100 -0.162 0.000 0.791 196 G HN 1.019 nan 8.290 nan 0.000 0.502 197 V N -2.811 117.152 119.914 0.082 0.000 3.085 197 V HA 0.675 4.795 4.120 -0.000 0.000 0.345 197 V C 1.890 178.152 176.094 0.279 0.000 1.397 197 V CA 1.072 63.537 62.300 0.276 0.000 1.165 197 V CB 0.139 32.234 31.823 0.453 0.000 1.153 197 V HN 0.790 nan 8.190 nan 0.000 0.495 198 G N 0.696 109.580 108.800 0.141 0.000 2.450 198 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 198 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 198 G C 1.140 176.082 174.900 0.070 0.000 1.130 198 G CA 1.212 46.373 45.100 0.101 0.000 0.760 198 G HN 0.591 nan 8.290 nan 0.000 0.557 199 F N 1.320 121.181 119.950 -0.149 0.000 2.085 199 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 199 F C 2.306 177.950 175.800 -0.259 0.000 1.096 199 F CA 1.440 59.263 58.000 -0.295 0.000 1.227 199 F CB -0.455 38.219 39.000 -0.543 0.000 0.983 199 F HN 0.244 nan 8.300 nan 0.000 0.482 200 Y N 0.575 120.837 120.300 -0.064 0.000 2.483 200 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 200 Y C 2.804 178.679 175.900 -0.042 0.000 1.143 200 Y CA 1.050 59.115 58.100 -0.058 0.000 1.289 200 Y CB -1.411 37.141 38.460 0.154 0.000 0.983 200 Y HN 0.250 nan 8.280 nan 0.000 0.556 201 S N -0.579 115.153 115.700 0.053 0.000 2.547 201 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 201 S C 2.115 176.690 174.600 -0.041 0.000 0.980 201 S CA 0.462 58.699 58.200 0.060 0.000 0.941 201 S CB -0.477 62.774 63.200 0.084 0.000 0.763 201 S HN 0.371 nan 8.310 nan 0.000 0.532 202 A N 1.080 123.747 122.820 -0.255 0.000 1.969 202 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 202 A C 1.590 178.893 177.584 -0.468 0.000 1.169 202 A CA 0.864 52.637 52.037 -0.441 0.000 0.635 202 A CB -0.953 17.628 19.000 -0.700 0.000 0.810 202 A HN 0.555 nan 8.150 nan 0.000 0.445 203 F N -0.090 119.747 119.950 -0.189 0.000 2.641 203 F HA 0.033 4.560 4.527 -0.000 0.000 0.298 203 F C 1.764 177.495 175.800 -0.115 0.000 1.146 203 F CA 0.413 58.339 58.000 -0.123 0.000 1.464 203 F CB -0.398 38.568 39.000 -0.057 0.000 1.101 203 F HN 0.124 nan 8.300 nan 0.000 0.585 204 L N -0.493 120.734 121.223 0.007 0.000 2.217 204 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 204 L C 1.871 178.689 176.870 -0.087 0.000 1.107 204 L CA 0.957 55.791 54.840 -0.010 0.000 0.783 204 L CB -0.242 41.821 42.059 0.007 0.000 0.919 204 L HN 0.168 nan 8.230 nan 0.000 0.442 205 V N -5.519 114.240 119.914 -0.259 0.000 3.432 205 V HA 0.546 4.666 4.120 -0.000 0.000 0.298 205 V C 0.402 176.343 176.094 -0.256 0.000 1.464 205 V CA -0.074 62.039 62.300 -0.311 0.000 1.046 205 V CB 0.127 31.526 31.823 -0.707 0.000 0.887 205 V HN 0.084 nan 8.190 nan 0.000 0.441 206 A N -0.138 122.556 122.820 -0.210 0.000 2.386 206 A HA 0.715 5.035 4.320 -0.000 0.000 0.311 206 A C 0.173 177.777 177.584 0.033 0.000 1.068 206 A CA -0.176 51.779 52.037 -0.137 0.000 0.743 206 A CB 1.503 20.350 19.000 -0.255 0.000 1.258 206 A HN 0.100 nan 8.150 nan 0.000 0.429 207 D N 0.179 120.610 120.400 0.051 0.000 2.249 207 D HA 0.072 4.712 4.640 -0.000 0.000 0.205 207 D C 0.086 176.492 176.300 0.177 0.000 0.962 207 D CA 1.363 55.431 54.000 0.114 0.000 0.860 207 D CB 0.414 41.253 40.800 0.065 0.000 0.955 207 D HN 0.419 nan 8.370 nan 0.000 0.505 208 K N -0.038 120.431 120.400 0.116 0.000 2.468 208 K HA 0.442 4.762 4.320 -0.000 0.000 0.252 208 K C -1.564 175.065 176.600 0.048 0.000 0.932 208 K CA -0.557 55.815 56.287 0.142 0.000 0.794 208 K CB 2.772 35.329 32.500 0.095 0.000 1.241 208 K HN -0.354 nan 8.250 nan 0.000 0.428 209 V N 5.392 125.364 119.914 0.096 0.000 2.531 209 V HA 0.559 4.679 4.120 -0.000 0.000 0.301 209 V C -0.641 175.639 176.094 0.310 0.000 1.034 209 V CA -0.710 61.613 62.300 0.038 0.000 0.865 209 V CB 1.453 33.119 31.823 -0.263 0.000 0.995 209 V HN 0.651 nan 8.190 nan 0.000 0.424 210 I N 4.732 125.459 120.570 0.263 0.000 2.509 210 I HA 0.582 4.752 4.170 -0.000 0.000 0.293 210 I C -0.748 175.563 176.117 0.324 0.000 1.020 210 I CA -0.868 60.627 61.300 0.326 0.000 1.088 210 I CB 2.317 40.439 38.000 0.204 0.000 1.267 210 I HN 0.261 nan 8.210 nan 0.000 0.430 211 V N 4.562 124.705 119.914 0.381 0.000 2.376 211 V HA 0.363 4.483 4.120 -0.000 0.000 0.287 211 V C -0.207 175.987 176.094 0.166 0.000 1.015 211 V CA -0.446 61.973 62.300 0.198 0.000 0.834 211 V CB 1.610 33.434 31.823 0.001 0.000 1.001 211 V HN 0.742 nan 8.190 nan 0.000 0.428 212 T N 3.524 118.145 114.554 0.113 0.000 2.795 212 T HA 0.599 4.949 4.350 -0.000 0.000 0.282 212 T C -0.153 174.577 174.700 0.049 0.000 0.980 212 T CA -0.283 61.872 62.100 0.092 0.000 1.012 212 T CB 1.457 70.368 68.868 0.071 0.000 0.936 212 T HN 0.611 nan 8.240 nan 0.000 0.457 213 S N 1.777 117.511 115.700 0.057 0.000 2.541 213 S HA 0.666 5.136 4.470 -0.000 0.000 0.271 213 S C -1.599 173.035 174.600 0.057 0.000 1.133 213 S CA -0.847 57.370 58.200 0.027 0.000 0.876 213 S CB 1.320 64.513 63.200 -0.012 0.000 1.105 213 S HN 0.569 nan 8.310 nan 0.000 0.470 214 K N 2.873 123.295 120.400 0.036 0.000 2.579 214 K HA 0.416 4.736 4.320 -0.000 0.000 0.250 214 K C -1.435 175.195 176.600 0.051 0.000 0.952 214 K CA -0.538 55.781 56.287 0.053 0.000 0.857 214 K CB 0.671 33.183 32.500 0.020 0.000 1.123 214 K HN 0.755 nan 8.250 nan 0.000 0.433 215 H N 3.488 122.549 119.070 -0.016 0.000 2.499 215 H HA 0.345 4.901 4.556 -0.000 0.000 0.340 215 H C 0.106 175.421 175.328 -0.021 0.000 1.148 215 H CA -0.314 55.714 56.048 -0.033 0.000 1.215 215 H CB 1.568 31.302 29.762 -0.046 0.000 1.529 215 H HN 0.646 nan 8.280 nan 0.000 0.510 216 N N 2.415 120.981 118.700 -0.224 0.000 2.192 216 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 216 N C 0.618 176.219 175.510 0.152 0.000 1.013 216 N CA 0.899 53.924 53.050 -0.043 0.000 0.863 216 N CB 0.071 38.473 38.487 -0.140 0.000 0.990 216 N HN 0.556 nan 8.380 nan 0.000 0.430 217 N N 0.544 119.515 118.700 0.452 0.000 2.383 217 N HA 0.007 4.747 4.740 -0.000 0.000 0.192 217 N C -0.446 175.126 175.510 0.105 0.000 1.141 217 N CA 0.376 53.553 53.050 0.212 0.000 0.851 217 N CB 0.417 38.977 38.487 0.122 0.000 0.976 217 N HN 0.265 nan 8.380 nan 0.000 0.465 218 D N -1.301 119.178 120.400 0.132 0.000 2.643 218 D HA 0.198 4.838 4.640 -0.000 0.000 0.283 218 D C -0.628 175.748 176.300 0.126 0.000 1.242 218 D CA -0.325 53.730 54.000 0.092 0.000 0.863 218 D CB 1.279 42.098 40.800 0.033 0.000 1.382 218 D HN 0.022 nan 8.370 nan 0.000 0.444 219 T N -1.538 113.116 114.554 0.167 0.000 2.902 219 T HA 0.397 4.747 4.350 -0.000 0.000 0.280 219 T C 0.393 175.216 174.700 0.205 0.000 0.992 219 T CA -0.686 61.497 62.100 0.138 0.000 1.015 219 T CB 0.922 69.842 68.868 0.086 0.000 1.044 219 T HN 0.335 nan 8.240 nan 0.000 0.520 220 Q N 0.851 120.700 119.800 0.082 0.000 2.300 220 Q HA 0.142 4.482 4.340 -0.000 0.000 0.280 220 Q C -1.040 174.959 176.000 -0.003 0.000 1.033 220 Q CA 0.381 56.227 55.803 0.071 0.000 0.903 220 Q CB 0.126 28.872 28.738 0.013 0.000 1.195 220 Q HN 0.769 nan 8.270 nan 0.000 0.386 221 H N 2.126 121.220 119.070 0.041 0.000 2.865 221 H HA 0.575 5.131 4.556 -0.000 0.000 0.372 221 H C -0.973 174.404 175.328 0.082 0.000 1.173 221 H CA -0.580 55.505 56.048 0.061 0.000 1.147 221 H CB 1.414 31.215 29.762 0.066 0.000 1.805 221 H HN 0.535 nan 8.280 nan 0.000 0.553 222 I N 1.113 121.816 120.570 0.223 0.000 2.498 222 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 222 I C -1.175 175.124 176.117 0.303 0.000 1.032 222 I CA -0.618 60.810 61.300 0.214 0.000 1.073 222 I CB 1.787 39.871 38.000 0.141 0.000 1.251 222 I HN 0.444 nan 8.210 nan 0.000 0.426 223 W N 6.873 128.234 121.300 0.103 0.000 2.606 223 W HA 0.600 5.260 4.660 -0.000 0.000 0.332 223 W C -0.872 175.737 176.519 0.151 0.000 1.052 223 W CA -0.156 57.261 57.345 0.121 0.000 1.223 223 W CB 1.422 30.894 29.460 0.021 0.000 1.383 223 W HN 0.525 nan 8.180 nan 0.000 0.524 224 E N 3.442 123.558 120.200 -0.140 0.000 2.343 224 E HA 0.670 5.020 4.350 -0.000 0.000 0.278 224 E C -1.517 174.816 176.600 -0.445 0.000 0.910 224 E CA -0.950 55.372 56.400 -0.129 0.000 0.757 224 E CB 1.964 31.675 29.700 0.018 0.000 1.218 224 E HN 0.252 nan 8.360 nan 0.000 0.435 225 S N 1.029 116.611 115.700 -0.196 0.000 2.537 225 S HA 0.405 4.875 4.470 -0.000 0.000 0.271 225 S C -1.379 173.415 174.600 0.323 0.000 1.148 225 S CA -0.302 57.908 58.200 0.016 0.000 0.868 225 S CB 1.033 64.260 63.200 0.045 0.000 1.115 225 S HN 0.678 nan 8.310 nan 0.000 0.461 226 D N 1.416 121.971 120.400 0.258 0.000 2.462 226 D HA 0.188 4.828 4.640 -0.000 0.000 0.221 226 D C 0.901 177.234 176.300 0.055 0.000 1.173 226 D CA 0.748 54.892 54.000 0.241 0.000 0.831 226 D CB -0.036 40.840 40.800 0.127 0.000 1.001 226 D HN 1.129 nan 8.370 nan 0.000 0.499 227 S N -0.437 115.262 115.700 -0.003 0.000 2.319 227 S HA -0.252 4.218 4.470 -0.000 0.000 0.253 227 S C 0.712 175.289 174.600 -0.039 0.000 1.235 227 S CA 0.752 58.735 58.200 -0.362 0.000 1.388 227 S CB -2.367 60.292 63.200 -0.902 0.000 1.723 227 S HN 0.347 nan 8.310 nan 0.000 0.611 228 N N 2.899 121.659 118.700 0.099 0.000 2.336 228 N HA 0.258 4.998 4.740 -0.000 0.000 0.189 228 N C 0.364 176.006 175.510 0.219 0.000 1.113 228 N CA 1.113 54.235 53.050 0.120 0.000 0.858 228 N CB 0.302 38.818 38.487 0.048 0.000 0.970 228 N HN 1.032 nan 8.380 nan 0.000 0.471 229 E N -0.736 119.666 120.200 0.336 0.000 2.373 229 E HA 0.275 4.625 4.350 -0.000 0.000 0.272 229 E C -1.504 175.153 176.600 0.096 0.000 1.231 229 E CA -1.002 55.490 56.400 0.154 0.000 0.906 229 E CB 0.606 30.304 29.700 -0.003 0.000 1.397 229 E HN -0.067 nan 8.360 nan 0.000 0.410 230 F N -0.537 119.240 119.950 -0.289 0.000 2.668 230 F HA 0.861 5.388 4.527 -0.000 0.000 0.309 230 F C -1.263 174.378 175.800 -0.264 0.000 1.117 230 F CA -0.198 57.509 58.000 -0.489 0.000 0.951 230 F CB 1.917 40.326 39.000 -0.984 0.000 1.323 230 F HN 0.813 nan 8.300 nan 0.000 0.451 231 S N 0.940 116.589 115.700 -0.084 0.000 2.595 231 S HA 0.907 5.377 4.470 -0.000 0.000 0.281 231 S C -1.942 172.761 174.600 0.172 0.000 1.117 231 S CA -0.737 57.499 58.200 0.060 0.000 0.873 231 S CB 1.787 64.979 63.200 -0.014 0.000 1.108 231 S HN 0.987 nan 8.310 nan 0.000 0.477 232 V N 2.637 122.738 119.914 0.310 0.000 2.525 232 V HA 0.625 4.745 4.120 -0.000 0.000 0.299 232 V C -0.458 175.807 176.094 0.285 0.000 1.034 232 V CA -0.603 61.895 62.300 0.331 0.000 0.863 232 V CB 1.068 33.114 31.823 0.372 0.000 0.999 232 V HN 1.021 nan 8.190 nan 0.000 0.423 233 I N 1.507 122.221 120.570 0.239 0.000 2.828 233 I HA 0.994 5.164 4.170 -0.000 0.000 0.302 233 I C 0.210 176.368 176.117 0.069 0.000 1.101 233 I CA -1.078 60.314 61.300 0.154 0.000 1.031 233 I CB 2.223 40.263 38.000 0.067 0.000 1.231 233 I HN 0.600 nan 8.210 nan 0.000 0.427 234 A N 2.604 125.360 122.820 -0.107 0.000 2.477 234 A HA 0.118 4.438 4.320 -0.000 0.000 0.246 234 A C -0.094 177.353 177.584 -0.229 0.000 1.078 234 A CA 0.005 51.752 52.037 -0.483 0.000 0.770 234 A CB 0.028 18.834 19.000 -0.323 0.000 1.011 234 A HN 0.804 nan 8.150 nan 0.000 0.494 235 D N 3.458 123.720 120.400 -0.229 0.000 2.338 235 D HA 0.150 4.790 4.640 -0.000 0.000 0.255 235 D C -1.095 175.159 176.300 -0.075 0.000 1.237 235 D CA -1.606 52.339 54.000 -0.091 0.000 0.883 235 D CB 0.999 41.767 40.800 -0.054 0.000 1.087 235 D HN 0.295 nan 8.370 nan 0.000 0.485 236 P HA -0.117 nan 4.420 nan 0.000 0.225 236 P C 0.827 178.109 177.300 -0.030 0.000 1.148 236 P CA 0.609 63.687 63.100 -0.037 0.000 0.779 236 P CB 0.354 32.039 31.700 -0.025 0.000 0.780 237 R N -0.501 119.982 120.500 -0.027 0.000 2.307 237 R HA 0.223 4.563 4.340 -0.000 0.000 0.199 237 R C 1.456 177.741 176.300 -0.026 0.000 1.000 237 R CA 0.514 56.600 56.100 -0.024 0.000 1.023 237 R CB -0.452 29.834 30.300 -0.022 0.000 0.908 237 R HN 0.229 nan 8.270 nan 0.000 0.473 238 G N 1.634 110.415 108.800 -0.032 0.000 2.593 238 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.237 238 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.237 238 G C -0.703 174.182 174.900 -0.024 0.000 1.312 238 G CA -0.174 44.908 45.100 -0.030 0.000 0.896 238 G HN 0.406 nan 8.290 nan 0.000 0.574 239 N N 0.939 119.629 118.700 -0.016 0.000 2.448 239 N HA 0.416 5.156 4.740 -0.000 0.000 0.250 239 N C 1.479 176.979 175.510 -0.017 0.000 1.136 239 N CA 1.006 54.049 53.050 -0.012 0.000 0.953 239 N CB 0.584 39.068 38.487 -0.006 0.000 1.251 239 N HN 0.979 nan 8.380 nan 0.000 0.502 240 T N 0.159 114.701 114.554 -0.020 0.000 3.023 240 T HA 0.116 4.466 4.350 -0.000 0.000 0.249 240 T C 1.603 176.285 174.700 -0.031 0.000 1.050 240 T CA 0.081 62.165 62.100 -0.027 0.000 1.088 240 T CB -0.158 68.691 68.868 -0.032 0.000 0.946 240 T HN 0.325 nan 8.240 nan 0.000 0.480 241 L N 0.729 121.936 121.223 -0.028 0.000 2.270 241 L HA 0.310 4.650 4.340 -0.000 0.000 0.210 241 L C 2.510 179.357 176.870 -0.040 0.000 1.104 241 L CA 0.933 55.752 54.840 -0.035 0.000 0.804 241 L CB -0.754 41.288 42.059 -0.029 0.000 0.937 241 L HN 0.644 nan 8.230 nan 0.000 0.450 242 G N 0.423 109.204 108.800 -0.032 0.000 3.909 242 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 242 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 242 G C 0.536 175.410 174.900 -0.042 0.000 1.404 242 G CA 0.372 45.450 45.100 -0.035 0.000 0.905 242 G HN 0.355 nan 8.290 nan 0.000 0.589 243 R N -0.088 120.379 120.500 -0.055 0.000 2.633 243 R HA 0.548 4.888 4.340 -0.000 0.000 0.255 243 R C 0.009 176.261 176.300 -0.080 0.000 1.106 243 R CA 0.702 56.759 56.100 -0.073 0.000 0.959 243 R CB 0.756 30.996 30.300 -0.099 0.000 1.259 243 R HN 2.315 nan 8.270 nan 0.000 0.453 244 G N 0.884 109.636 108.800 -0.080 0.000 2.298 244 G HA2 0.048 4.008 3.960 -0.000 0.000 0.309 244 G HA3 0.048 4.008 3.960 -0.000 0.000 0.309 244 G C -1.520 173.343 174.900 -0.062 0.000 1.279 244 G CA -0.365 44.684 45.100 -0.085 0.000 1.042 244 G HN 0.619 nan 8.290 nan 0.000 0.480 245 T N 0.179 114.694 114.554 -0.064 0.000 2.956 245 T HA 0.685 5.035 4.350 -0.000 0.000 0.312 245 T C -0.778 173.909 174.700 -0.022 0.000 1.151 245 T CA -0.205 61.867 62.100 -0.047 0.000 1.024 245 T CB 1.991 70.812 68.868 -0.079 0.000 1.140 245 T HN 0.778 nan 8.240 nan 0.000 0.473 246 T N 3.405 117.965 114.554 0.010 0.000 2.792 246 T HA 0.541 4.891 4.350 -0.000 0.000 0.280 246 T C -0.336 174.418 174.700 0.089 0.000 0.990 246 T CA -0.665 61.467 62.100 0.053 0.000 0.960 246 T CB 0.505 69.409 68.868 0.060 0.000 0.939 246 T HN 0.344 nan 8.240 nan 0.000 0.439 247 I N 3.670 124.307 120.570 0.112 0.000 2.321 247 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 247 I C 0.468 176.675 176.117 0.150 0.000 0.998 247 I CA -0.462 60.916 61.300 0.130 0.000 1.227 247 I CB 1.004 39.077 38.000 0.122 0.000 1.368 247 I HN 0.549 nan 8.210 nan 0.000 0.466 248 T N 7.695 122.338 114.554 0.148 0.000 2.770 248 T HA 0.577 4.927 4.350 -0.000 0.000 0.283 248 T C 0.088 174.780 174.700 -0.013 0.000 0.988 248 T CA -0.443 61.709 62.100 0.087 0.000 0.957 248 T CB 1.094 70.071 68.868 0.183 0.000 0.930 248 T HN 0.246 nan 8.240 nan 0.000 0.443 249 L N 3.415 124.576 121.223 -0.104 0.000 2.296 249 L HA 0.543 4.883 4.340 -0.000 0.000 0.286 249 L C -0.229 176.569 176.870 -0.120 0.000 1.023 249 L CA -1.156 53.606 54.840 -0.131 0.000 0.812 249 L CB 1.597 43.546 42.059 -0.183 0.000 1.223 249 L HN 0.330 nan 8.230 nan 0.000 0.421 250 V N 5.266 125.132 119.914 -0.079 0.000 2.304 250 V HA 0.214 4.334 4.120 -0.000 0.000 0.262 250 V C 0.558 176.622 176.094 -0.050 0.000 1.061 250 V CA -0.399 61.874 62.300 -0.045 0.000 0.872 250 V CB 0.784 32.605 31.823 -0.003 0.000 1.077 250 V HN 0.534 nan 8.190 nan 0.000 0.480 251 L N 4.776 125.969 121.223 -0.051 0.000 2.490 251 L HA 0.188 4.528 4.340 -0.000 0.000 0.274 251 L C 0.916 177.781 176.870 -0.008 0.000 1.201 251 L CA 0.052 54.867 54.840 -0.042 0.000 0.869 251 L CB 0.184 42.243 42.059 0.001 0.000 1.123 251 L HN 0.540 nan 8.230 nan 0.000 0.484 252 K N 1.709 122.104 120.400 -0.008 0.000 2.380 252 K HA -0.072 4.248 4.320 -0.000 0.000 0.267 252 K C 0.887 177.503 176.600 0.027 0.000 0.990 252 K CA -0.210 56.085 56.287 0.014 0.000 0.946 252 K CB 0.668 33.177 32.500 0.016 0.000 0.937 252 K HN 0.447 nan 8.250 nan 0.000 0.491 253 E N 2.463 122.678 120.200 0.026 0.000 2.097 253 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 253 E C 1.360 177.979 176.600 0.032 0.000 1.000 253 E CA 1.945 58.361 56.400 0.027 0.000 0.804 253 E CB 0.061 29.774 29.700 0.022 0.000 0.740 253 E HN 0.621 nan 8.360 nan 0.000 0.454 254 E N -0.370 119.851 120.200 0.036 0.000 2.511 254 E HA -0.033 4.317 4.350 -0.000 0.000 0.196 254 E C 0.810 177.446 176.600 0.061 0.000 1.066 254 E CA 0.881 57.305 56.400 0.040 0.000 0.871 254 E CB 0.132 29.856 29.700 0.040 0.000 0.863 254 E HN 0.271 nan 8.360 nan 0.000 0.520 255 A N 1.559 124.431 122.820 0.087 0.000 2.500 255 A HA 0.158 4.478 4.320 -0.000 0.000 0.267 255 A C 1.918 179.603 177.584 0.169 0.000 1.290 255 A CA 0.308 52.455 52.037 0.184 0.000 0.928 255 A CB -0.216 18.905 19.000 0.201 0.000 1.066 255 A HN 0.281 nan 8.150 nan 0.000 0.516 256 S N 0.034 115.777 115.700 0.071 0.000 2.440 256 S HA -0.220 4.250 4.470 -0.000 0.000 0.238 256 S C 1.467 176.079 174.600 0.021 0.000 1.010 256 S CA 1.515 59.747 58.200 0.053 0.000 0.972 256 S CB -0.340 62.879 63.200 0.031 0.000 0.774 256 S HN 0.480 nan 8.310 nan 0.000 0.501 257 D N 1.062 121.416 120.400 -0.076 0.000 2.221 257 D HA -0.130 4.510 4.640 -0.000 0.000 0.204 257 D C 0.922 177.112 176.300 -0.183 0.000 0.982 257 D CA 0.895 54.789 54.000 -0.177 0.000 0.857 257 D CB -0.489 40.122 40.800 -0.315 0.000 0.934 257 D HN 0.687 nan 8.370 nan 0.000 0.475 258 Y N -0.477 119.882 120.300 0.099 0.000 2.553 258 Y HA 0.155 4.704 4.550 -0.000 0.000 0.303 258 Y C 1.654 177.628 175.900 0.122 0.000 1.194 258 Y CA 0.014 58.200 58.100 0.142 0.000 1.305 258 Y CB 0.130 38.710 38.460 0.201 0.000 1.045 258 Y HN -0.013 nan 8.280 nan 0.000 0.514 259 L N -0.568 120.763 121.223 0.180 0.000 2.640 259 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 259 L C 0.304 177.254 176.870 0.134 0.000 1.123 259 L CA 0.075 55.004 54.840 0.148 0.000 0.900 259 L CB 0.237 42.359 42.059 0.105 0.000 1.146 259 L HN -0.013 nan 8.230 nan 0.000 0.484 260 E N 0.996 121.261 120.200 0.108 0.000 2.229 260 E HA 0.142 4.492 4.350 -0.000 0.000 0.283 260 E C 0.976 177.642 176.600 0.110 0.000 1.030 260 E CA -0.149 56.304 56.400 0.088 0.000 0.836 260 E CB 1.995 31.718 29.700 0.037 0.000 1.068 260 E HN 0.165 nan 8.360 nan 0.000 0.401 261 L N 2.123 123.417 121.223 0.119 0.000 2.013 261 L HA -0.303 4.037 4.340 -0.000 0.000 0.212 261 L C 1.904 178.821 176.870 0.078 0.000 1.073 261 L CA 2.094 57.005 54.840 0.119 0.000 0.753 261 L CB -0.462 41.657 42.059 0.099 0.000 0.890 261 L HN 0.542 nan 8.230 nan 0.000 0.432 262 D N -1.395 119.032 120.400 0.044 0.000 2.123 262 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 262 D C 1.780 178.096 176.300 0.027 0.000 0.992 262 D CA 1.962 55.975 54.000 0.022 0.000 0.833 262 D CB -0.588 40.214 40.800 0.004 0.000 0.954 262 D HN 0.145 nan 8.370 nan 0.000 0.455 263 T N 0.239 114.814 114.554 0.034 0.000 2.777 263 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 263 T C 1.850 176.603 174.700 0.090 0.000 1.040 263 T CA 0.889 63.009 62.100 0.035 0.000 1.141 263 T CB -0.101 68.762 68.868 -0.008 0.000 0.868 263 T HN 0.146 nan 8.240 nan 0.000 0.444 264 I N 1.367 122.015 120.570 0.131 0.000 2.286 264 I HA -0.064 4.106 4.170 -0.000 0.000 0.245 264 I C 2.304 178.484 176.117 0.105 0.000 1.104 264 I CA 1.354 62.751 61.300 0.162 0.000 1.397 264 I CB -0.902 37.219 38.000 0.202 0.000 1.072 264 I HN 0.288 nan 8.210 nan 0.000 0.417 265 K N 0.678 121.128 120.400 0.085 0.000 2.032 265 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 265 K C 1.893 178.498 176.600 0.009 0.000 1.048 265 K CA 1.327 57.647 56.287 0.055 0.000 0.927 265 K CB -0.205 32.322 32.500 0.043 0.000 0.712 265 K HN 0.312 nan 8.250 nan 0.000 0.441 266 N N 1.085 119.781 118.700 -0.006 0.000 2.120 266 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 266 N C 1.915 177.353 175.510 -0.119 0.000 1.024 266 N CA 1.095 54.115 53.050 -0.051 0.000 0.852 266 N CB -0.178 38.284 38.487 -0.041 0.000 1.003 266 N HN 0.152 nan 8.380 nan 0.000 0.424 267 L N 0.309 121.475 121.223 -0.095 0.000 2.044 267 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 267 L C 2.336 179.054 176.870 -0.252 0.000 1.075 267 L CA 0.705 55.411 54.840 -0.223 0.000 0.747 267 L CB -0.566 41.496 42.059 0.005 0.000 0.903 267 L HN -0.061 nan 8.230 nan 0.000 0.435 268 V N 0.329 120.221 119.914 -0.037 0.000 2.287 268 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 268 V C 2.567 178.648 176.094 -0.023 0.000 1.053 268 V CA 2.058 64.375 62.300 0.028 0.000 1.027 268 V CB -0.587 31.281 31.823 0.074 0.000 0.646 268 V HN 0.448 nan 8.190 nan 0.000 0.447 269 K N 0.272 120.641 120.400 -0.052 0.000 2.147 269 K HA -0.248 4.072 4.320 -0.000 0.000 0.205 269 K C 2.265 178.803 176.600 -0.102 0.000 1.049 269 K CA 1.785 58.038 56.287 -0.057 0.000 0.936 269 K CB -0.148 32.322 32.500 -0.049 0.000 0.722 269 K HN 0.416 nan 8.250 nan 0.000 0.446 270 K N -0.462 119.805 120.400 -0.221 0.000 2.155 270 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 270 K C 0.973 177.418 176.600 -0.259 0.000 1.052 270 K CA 1.243 57.336 56.287 -0.323 0.000 0.948 270 K CB 0.070 32.230 32.500 -0.567 0.000 0.728 270 K HN 0.305 nan 8.250 nan 0.000 0.448 271 Y N -0.823 119.464 120.300 -0.022 0.000 2.467 271 Y HA 0.172 4.722 4.550 -0.000 0.000 0.250 271 Y C 1.556 177.442 175.900 -0.023 0.000 1.155 271 Y CA -0.543 57.540 58.100 -0.028 0.000 1.249 271 Y CB 1.068 39.498 38.460 -0.050 0.000 1.146 271 Y HN 0.008 nan 8.280 nan 0.000 0.524 272 S N -0.301 115.454 115.700 0.091 0.000 2.524 272 S HA -0.074 4.396 4.470 -0.000 0.000 0.215 272 S C 1.691 176.301 174.600 0.017 0.000 0.986 272 S CA -0.061 58.167 58.200 0.047 0.000 0.911 272 S CB 0.141 63.351 63.200 0.017 0.000 0.805 272 S HN 0.444 nan 8.310 nan 0.000 0.501 273 Q N 0.371 120.180 119.800 0.015 0.000 2.181 273 Q HA -0.157 4.183 4.340 -0.000 0.000 0.205 273 Q C 1.243 177.242 176.000 -0.002 0.000 0.980 273 Q CA 1.714 57.516 55.803 -0.002 0.000 0.862 273 Q CB -0.144 28.593 28.738 -0.002 0.000 0.905 273 Q HN 0.722 nan 8.270 nan 0.000 0.429 274 F N -0.302 119.655 119.950 0.012 0.000 2.654 274 F HA 0.330 4.857 4.527 -0.000 0.000 0.303 274 F C 0.402 176.199 175.800 -0.006 0.000 1.099 274 F CA -0.591 57.409 58.000 0.000 0.000 1.270 274 F CB 0.523 39.530 39.000 0.011 0.000 1.024 274 F HN -0.067 nan 8.300 nan 0.000 0.548 275 I N 1.636 122.207 120.570 0.001 0.000 2.371 275 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 275 I C 0.307 176.393 176.117 -0.053 0.000 1.028 275 I CA -0.396 60.911 61.300 0.011 0.000 1.345 275 I CB 0.972 39.005 38.000 0.055 0.000 1.407 275 I HN 0.253 nan 8.210 nan 0.000 0.501 276 N N 4.793 123.407 118.700 -0.145 0.000 2.459 276 N HA -0.022 4.718 4.740 -0.000 0.000 0.181 276 N C -0.019 175.213 175.510 -0.462 0.000 1.046 276 N CA 0.758 53.603 53.050 -0.341 0.000 0.904 276 N CB 0.110 38.297 38.487 -0.500 0.000 0.964 276 N HN 0.353 nan 8.380 nan 0.000 0.444 277 F N 1.792 121.717 119.950 -0.042 0.000 2.425 277 F HA 0.361 4.888 4.527 -0.000 0.000 0.331 277 F C -1.734 174.017 175.800 -0.082 0.000 1.085 277 F CA -2.699 55.272 58.000 -0.048 0.000 1.028 277 F CB 0.821 39.798 39.000 -0.039 0.000 1.177 277 F HN -0.171 nan 8.300 nan 0.000 0.487 278 P HA 0.149 nan 4.420 nan 0.000 0.267 278 P C -0.670 176.468 177.300 -0.270 0.000 1.205 278 P CA 0.433 63.438 63.100 -0.159 0.000 0.765 278 P CB 0.877 32.498 31.700 -0.133 0.000 0.828 279 I N 4.480 124.823 120.570 -0.377 0.000 2.406 279 I HA 0.331 4.500 4.170 -0.000 0.000 0.290 279 I C -0.200 175.700 176.117 -0.362 0.000 0.999 279 I CA -0.928 60.225 61.300 -0.245 0.000 1.124 279 I CB 1.119 39.081 38.000 -0.063 0.000 1.289 279 I HN 0.295 nan 8.210 nan 0.000 0.441 280 Y N 4.648 125.009 120.300 0.102 0.000 2.509 280 Y HA 0.665 5.215 4.550 -0.000 0.000 0.341 280 Y C -0.166 175.964 175.900 0.384 0.000 1.038 280 Y CA -1.080 57.160 58.100 0.233 0.000 1.089 280 Y CB 1.966 40.570 38.460 0.241 0.000 1.241 280 Y HN 0.111 nan 8.280 nan 0.000 0.468 281 V N 1.625 121.906 119.914 0.612 0.000 2.483 281 V HA 0.102 4.222 4.120 -0.000 0.000 0.297 281 V C -0.885 175.548 176.094 0.565 0.000 1.027 281 V CA -1.211 61.412 62.300 0.539 0.000 0.855 281 V CB 1.684 33.697 31.823 0.317 0.000 0.995 281 V HN 0.853 nan 8.190 nan 0.000 0.424 282 W N 6.290 127.766 121.300 0.293 0.000 2.655 282 W HA 0.347 5.007 4.660 -0.000 0.000 0.333 282 W C 0.124 176.765 176.519 0.204 0.000 1.382 282 W CA 0.328 57.632 57.345 -0.068 0.000 1.398 282 W CB 0.862 30.104 29.460 -0.363 0.000 1.481 282 W HN 0.741 nan 8.180 nan 0.000 0.526 283 S N 3.263 118.861 115.700 -0.171 0.000 2.632 283 S HA 0.633 5.103 4.470 -0.000 0.000 0.289 283 S C -0.399 173.766 174.600 -0.724 0.000 1.115 283 S CA -0.908 57.157 58.200 -0.226 0.000 0.889 283 S CB 1.662 64.787 63.200 -0.126 0.000 1.116 283 S HN 0.418 nan 8.310 nan 0.000 0.486 284 S N -0.189 114.807 115.700 -1.174 0.000 2.617 284 S HA 0.920 5.390 4.470 -0.000 0.000 0.283 284 S C -0.197 173.971 174.600 -0.721 0.000 1.189 284 S CA -0.515 56.807 58.200 -1.463 0.000 1.036 284 S CB 0.925 62.932 63.200 -1.989 0.000 1.014 284 S HN 1.388 nan 8.310 nan 0.000 0.522 285 K N 0.592 120.645 120.400 -0.578 0.000 2.495 285 K HA 0.819 5.139 4.320 -0.000 0.000 0.268 285 K C -0.332 176.107 176.600 -0.268 0.000 1.008 285 K CA -0.896 55.188 56.287 -0.337 0.000 0.882 285 K CB 1.110 33.456 32.500 -0.256 0.000 1.443 285 K HN 0.789 nan 8.250 nan 0.000 0.447 329 T N 2.327 116.850 114.554 -0.052 0.000 2.821 329 T HA 0.573 4.923 4.350 -0.000 0.000 0.307 329 T C -0.134 174.500 174.700 -0.110 0.000 1.034 329 T CA 0.049 62.077 62.100 -0.120 0.000 0.953 329 T CB 0.053 68.874 68.868 -0.079 0.000 0.968 329 T HN 1.324 nan 8.240 nan 0.000 0.462 330 V N 0.776 120.565 119.914 -0.209 0.000 2.667 330 V HA 0.832 4.952 4.120 -0.000 0.000 0.308 330 V C -1.199 174.668 176.094 -0.378 0.000 1.048 330 V CA -1.299 60.913 62.300 -0.147 0.000 0.928 330 V CB 1.390 33.150 31.823 -0.105 0.000 1.004 330 V HN 0.795 nan 8.190 nan 0.000 0.444 331 W N 1.627 122.731 121.300 -0.328 0.000 2.627 331 W HA 0.816 5.476 4.660 -0.000 0.000 0.339 331 W C -0.245 175.660 176.519 -1.023 0.000 1.058 331 W CA 0.156 57.062 57.345 -0.732 0.000 1.223 331 W CB 1.686 30.683 29.460 -0.773 0.000 1.389 331 W HN 0.935 nan 8.180 nan 0.000 0.541 332 D N -0.023 119.672 120.400 -1.176 0.000 2.742 332 D HA 0.215 4.855 4.640 -0.000 0.000 0.262 332 D C -1.863 174.093 176.300 -0.574 0.000 1.240 332 D CA -0.900 52.569 54.000 -0.884 0.000 0.752 332 D CB 0.742 41.374 40.800 -0.278 0.000 1.290 332 D HN 0.267 nan 8.370 nan 0.000 0.420 333 W N 1.624 122.963 121.300 0.065 0.000 2.308 333 W HA 0.288 4.948 4.660 -0.000 0.000 0.324 333 W C 0.670 177.286 176.519 0.162 0.000 1.387 333 W CA -0.163 57.300 57.345 0.197 0.000 1.250 333 W CB 0.474 29.974 29.460 0.067 0.000 1.257 333 W HN 0.168 nan 8.180 nan 0.000 0.554 334 E N 3.812 124.290 120.200 0.463 0.000 2.145 334 E HA 0.210 4.560 4.350 -0.000 0.000 0.270 334 E C -1.130 175.700 176.600 0.384 0.000 0.906 334 E CA -1.189 55.401 56.400 0.317 0.000 0.761 334 E CB 1.077 30.864 29.700 0.145 0.000 1.116 334 E HN 0.374 nan 8.360 nan 0.000 0.408 335 L N 5.164 126.584 121.223 0.329 0.000 2.455 335 L HA 0.018 4.357 4.340 -0.000 0.000 0.272 335 L C 0.571 177.445 176.870 0.007 0.000 1.174 335 L CA 0.534 55.416 54.840 0.070 0.000 0.869 335 L CB 0.610 42.700 42.059 0.051 0.000 1.130 335 L HN 0.776 nan 8.230 nan 0.000 0.474 336 M N 3.073 122.634 119.600 -0.065 0.000 2.414 336 M HA 0.222 4.702 4.480 -0.000 0.000 0.251 336 M C -0.107 176.163 176.300 -0.050 0.000 1.116 336 M CA 0.234 55.517 55.300 -0.028 0.000 1.056 336 M CB -1.111 31.490 32.600 0.002 0.000 1.388 336 M HN 0.798 nan 8.290 nan 0.000 0.487 337 N N 0.000 118.647 118.700 -0.088 0.000 1.763 337 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 337 N CA 0.000 53.009 53.050 -0.069 0.000 0.885 337 N CB 0.000 38.450 38.487 -0.062 0.000 1.341 337 N HN 0.000 nan 8.380 nan 0.000 0.667