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 2ed6_1_L DATA FIRST_RESID 32 DATA SEQUENCE TVTKTIETHT DNIETNMDEN LRIPVTAEVG SGYFKMTDVS FDSDTLGKIK DATA SEQUENCE IRNGKSDAQM KEEDADLVIT PVEGRALEVT VGQNLTFEGT FKVWNNTSRK DATA SEQUENCE INITGMQMVP KINPSKAFVG SSNTSSFTPV SIDEDEVGTF VCGTTFGAPI DATA SEQUENCE AATAGGNLFD MYVHVTYSGT 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 32 T HA 0.000 nan 4.350 nan 0.000 0.228 32 T C 0.000 174.675 174.700 -0.041 0.000 1.109 32 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 32 T CB 0.000 68.853 68.868 -0.024 0.000 0.612 33 V N 2.540 122.427 119.914 -0.045 0.000 2.343 33 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 33 V C 2.732 178.784 176.094 -0.071 0.000 1.051 33 V CA 2.511 64.773 62.300 -0.063 0.000 1.036 33 V CB -0.709 31.082 31.823 -0.053 0.000 0.654 33 V HN 1.003 nan 8.190 nan 0.000 0.451 34 T N -0.361 114.163 114.554 -0.050 0.000 2.721 34 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 34 T C 1.918 176.588 174.700 -0.049 0.000 1.038 34 T CA 1.752 63.825 62.100 -0.045 0.000 1.145 34 T CB -0.244 68.606 68.868 -0.031 0.000 0.858 34 T HN 0.502 nan 8.240 nan 0.000 0.459 35 K N 0.303 120.675 120.400 -0.048 0.000 2.025 35 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 35 K C 2.625 179.186 176.600 -0.065 0.000 1.049 35 K CA 1.489 57.750 56.287 -0.043 0.000 0.933 35 K CB -0.317 32.163 32.500 -0.033 0.000 0.714 35 K HN 0.278 nan 8.250 nan 0.000 0.438 36 T N 1.869 116.361 114.554 -0.104 0.000 2.821 36 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 36 T C 1.908 176.434 174.700 -0.290 0.000 1.046 36 T CA 0.935 62.919 62.100 -0.192 0.000 1.139 36 T CB -0.131 68.596 68.868 -0.235 0.000 0.871 36 T HN 0.134 nan 8.240 nan 0.000 0.454 37 I N 0.724 121.174 120.570 -0.200 0.000 2.286 37 I HA -0.139 4.031 4.170 -0.000 0.000 0.248 37 I C 2.679 178.767 176.117 -0.049 0.000 1.115 37 I CA 1.210 62.425 61.300 -0.141 0.000 1.392 37 I CB -0.295 37.657 38.000 -0.080 0.000 1.065 37 I HN 0.161 nan 8.210 nan 0.000 0.418 38 E N 0.693 120.869 120.200 -0.040 0.000 2.051 38 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 38 E C 2.159 178.769 176.600 0.017 0.000 0.991 38 E CA 1.701 58.094 56.400 -0.011 0.000 0.799 38 E CB -0.337 29.354 29.700 -0.015 0.000 0.748 38 E HN 0.328 nan 8.360 nan 0.000 0.449 39 T N 0.042 114.609 114.554 0.022 0.000 2.720 39 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 39 T C 1.387 176.185 174.700 0.163 0.000 1.037 39 T CA 1.692 63.837 62.100 0.076 0.000 1.144 39 T CB -0.424 68.494 68.868 0.084 0.000 0.864 39 T HN 0.222 nan 8.240 nan 0.000 0.444 40 H N 1.008 120.070 119.070 -0.013 0.000 2.321 40 H HA -0.001 4.555 4.556 -0.000 0.000 0.300 40 H C 2.652 177.967 175.328 -0.021 0.000 1.087 40 H CA 1.482 57.521 56.048 -0.015 0.000 1.319 40 H CB -1.025 28.730 29.762 -0.013 0.000 1.379 40 H HN 0.271 nan 8.280 nan 0.000 0.501 41 T N 0.880 115.498 114.554 0.108 0.000 2.720 41 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 41 T C 1.477 176.177 174.700 0.000 0.000 1.037 41 T CA 1.650 63.768 62.100 0.030 0.000 1.144 41 T CB -0.242 68.630 68.868 0.007 0.000 0.864 41 T HN 0.385 nan 8.240 nan 0.000 0.444 42 D N 1.165 121.572 120.400 0.011 0.000 2.084 42 D HA -0.063 4.577 4.640 -0.000 0.000 0.194 42 D C 2.206 178.501 176.300 -0.008 0.000 0.990 42 D CA 0.947 54.943 54.000 -0.006 0.000 0.826 42 D CB -0.515 40.289 40.800 0.007 0.000 0.971 42 D HN 0.256 nan 8.370 nan 0.000 0.453 43 N N 0.739 119.443 118.700 0.006 0.000 2.120 43 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 43 N C 2.148 177.642 175.510 -0.027 0.000 1.024 43 N CA 0.364 53.408 53.050 -0.010 0.000 0.852 43 N CB -0.334 38.142 38.487 -0.019 0.000 1.003 43 N HN 0.281 nan 8.380 nan 0.000 0.424 44 I N 1.293 121.841 120.570 -0.037 0.000 2.208 44 I HA -0.255 3.914 4.170 -0.000 0.000 0.245 44 I C 2.478 178.575 176.117 -0.034 0.000 1.097 44 I CA 1.194 62.469 61.300 -0.041 0.000 1.363 44 I CB -0.220 37.757 38.000 -0.038 0.000 1.051 44 I HN 0.250 nan 8.210 nan 0.000 0.413 45 E N 0.790 120.959 120.200 -0.051 0.000 2.077 45 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 45 E C 2.099 178.680 176.600 -0.030 0.000 0.989 45 E CA 2.130 58.474 56.400 -0.093 0.000 0.800 45 E CB -0.018 29.586 29.700 -0.160 0.000 0.746 45 E HN 0.563 nan 8.360 nan 0.000 0.452 46 T N -1.015 113.537 114.554 -0.003 0.000 2.929 46 T HA -0.076 4.274 4.350 -0.000 0.000 0.271 46 T C 1.394 176.129 174.700 0.057 0.000 1.085 46 T CA 1.095 63.222 62.100 0.044 0.000 1.125 46 T CB -0.226 68.660 68.868 0.030 0.000 0.874 46 T HN 0.036 nan 8.240 nan 0.000 0.494 47 N N 0.567 119.287 118.700 0.033 0.000 2.398 47 N HA 0.250 4.990 4.740 -0.000 0.000 0.188 47 N C 0.103 175.641 175.510 0.048 0.000 1.122 47 N CA 0.103 53.172 53.050 0.032 0.000 0.866 47 N CB -0.284 38.206 38.487 0.005 0.000 0.970 47 N HN 0.553 nan 8.380 nan 0.000 0.462 48 M N 1.200 120.848 119.600 0.080 0.000 2.251 48 M HA 0.063 4.543 4.480 -0.000 0.000 0.346 48 M C -0.601 175.746 176.300 0.079 0.000 1.499 48 M CA 0.720 56.084 55.300 0.108 0.000 1.128 48 M CB 0.384 33.111 32.600 0.212 0.000 1.809 48 M HN -0.161 nan 8.290 nan 0.000 0.464 49 D N 2.552 122.963 120.400 0.018 0.000 2.671 49 D HA 0.570 5.210 4.640 -0.000 0.000 0.232 49 D C -1.145 175.107 176.300 -0.080 0.000 1.114 49 D CA -0.355 53.611 54.000 -0.056 0.000 0.858 49 D CB 2.411 43.232 40.800 0.035 0.000 1.544 49 D HN 0.425 nan 8.370 nan 0.000 0.471 50 E N 0.579 120.662 120.200 -0.195 0.000 2.363 50 E HA 0.287 4.637 4.350 -0.000 0.000 0.281 50 E C -1.718 174.801 176.600 -0.134 0.000 0.953 50 E CA -0.635 55.692 56.400 -0.122 0.000 0.778 50 E CB 1.216 30.855 29.700 -0.102 0.000 1.220 50 E HN 0.112 nan 8.360 nan 0.000 0.431 51 N N 3.911 122.605 118.700 -0.010 0.000 2.558 51 N HA 0.274 5.014 4.740 -0.000 0.000 0.242 51 N C -1.087 174.444 175.510 0.034 0.000 0.979 51 N CA -0.535 52.556 53.050 0.068 0.000 0.931 51 N CB 0.752 39.330 38.487 0.153 0.000 1.122 51 N HN 0.289 nan 8.380 nan 0.000 0.508 52 L N 1.596 122.792 121.223 -0.047 0.000 2.367 52 L HA 0.268 4.608 4.340 -0.000 0.000 0.275 52 L C 1.162 177.898 176.870 -0.223 0.000 1.129 52 L CA 0.179 54.935 54.840 -0.140 0.000 0.839 52 L CB 0.224 42.217 42.059 -0.110 0.000 1.133 52 L HN 0.235 nan 8.230 nan 0.000 0.453 53 R N 4.568 124.833 120.500 -0.393 0.000 2.207 53 R HA 0.529 4.869 4.340 -0.000 0.000 0.334 53 R C -1.078 174.942 176.300 -0.467 0.000 1.013 53 R CA -0.353 55.346 56.100 -0.668 0.000 0.858 53 R CB 0.377 30.259 30.300 -0.698 0.000 1.094 53 R HN 0.617 nan 8.270 nan 0.000 0.457 54 I N 7.761 128.107 120.570 -0.373 0.000 2.382 54 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 54 I C -1.980 174.036 176.117 -0.169 0.000 1.007 54 I CA -2.523 58.662 61.300 -0.192 0.000 1.142 54 I CB 1.978 39.889 38.000 -0.148 0.000 1.289 54 I HN 0.429 nan 8.210 nan 0.000 0.453 55 P HA 0.150 nan 4.420 nan 0.000 0.271 55 P C -0.684 176.609 177.300 -0.011 0.000 1.216 55 P CA 0.063 63.123 63.100 -0.065 0.000 0.771 55 P CB 1.717 33.392 31.700 -0.042 0.000 0.864 56 V N 3.102 123.033 119.914 0.029 0.000 3.078 56 V HA 0.469 4.589 4.120 -0.000 0.000 0.311 56 V C -0.009 176.198 176.094 0.188 0.000 1.138 56 V CA -0.469 61.887 62.300 0.094 0.000 1.007 56 V CB 2.622 34.469 31.823 0.040 0.000 1.045 56 V HN 0.479 nan 8.190 nan 0.000 0.432 57 T N 2.532 117.226 114.554 0.235 0.000 2.815 57 T HA 0.573 4.923 4.350 -0.000 0.000 0.289 57 T C -0.038 174.856 174.700 0.322 0.000 1.000 57 T CA -0.184 62.061 62.100 0.243 0.000 0.958 57 T CB 1.371 70.332 68.868 0.154 0.000 0.944 57 T HN 0.966 nan 8.240 nan 0.000 0.442 58 A N 3.278 126.289 122.820 0.318 0.000 2.475 58 A HA 0.280 4.600 4.320 -0.000 0.000 0.293 58 A C 0.505 178.163 177.584 0.123 0.000 1.252 58 A CA -0.343 51.727 52.037 0.056 0.000 0.920 58 A CB -0.298 18.350 19.000 -0.588 0.000 1.125 58 A HN 0.858 nan 8.150 nan 0.000 0.528 59 E N 3.509 123.882 120.200 0.287 0.000 2.104 59 E HA 0.284 4.634 4.350 -0.000 0.000 0.278 59 E C -0.336 176.466 176.600 0.338 0.000 1.127 59 E CA -0.457 56.099 56.400 0.259 0.000 0.897 59 E CB 0.358 30.193 29.700 0.225 0.000 1.043 59 E HN 0.475 nan 8.360 nan 0.000 0.410 60 V N 4.644 124.714 119.914 0.260 0.000 2.752 60 V HA 0.009 4.129 4.120 -0.000 0.000 0.306 60 V C 1.490 177.670 176.094 0.143 0.000 1.099 60 V CA 1.465 63.912 62.300 0.245 0.000 1.240 60 V CB 0.558 32.468 31.823 0.145 0.000 0.887 60 V HN 1.076 nan 8.190 nan 0.000 0.499 61 G N 3.862 112.706 108.800 0.073 0.000 2.198 61 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 61 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 61 G C 0.702 175.582 174.900 -0.033 0.000 1.025 61 G CA 0.938 46.033 45.100 -0.009 0.000 0.769 61 G HN 1.474 nan 8.290 nan 0.000 0.507 62 S N -2.283 113.387 115.700 -0.049 0.000 2.631 62 S HA 0.452 4.922 4.470 -0.000 0.000 0.246 62 S C 2.145 176.578 174.600 -0.279 0.000 1.068 62 S CA 1.388 59.557 58.200 -0.051 0.000 0.995 62 S CB 0.415 63.686 63.200 0.119 0.000 0.944 62 S HN 2.228 nan 8.310 nan 0.000 0.529 63 G N 0.629 109.154 108.800 -0.457 0.000 2.168 63 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 63 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 63 G C -0.137 174.413 174.900 -0.583 0.000 0.997 63 G CA 0.794 45.438 45.100 -0.760 0.000 0.708 63 G HN 0.658 nan 8.290 nan 0.000 0.520 64 Y N -1.560 118.732 120.300 -0.015 0.000 2.499 64 Y HA 0.615 5.165 4.550 -0.000 0.000 0.347 64 Y C 0.247 176.278 175.900 0.218 0.000 0.987 64 Y CA -1.435 56.719 58.100 0.090 0.000 1.044 64 Y CB 1.542 40.063 38.460 0.103 0.000 1.245 64 Y HN 0.016 nan 8.280 nan 0.000 0.461 65 F N 3.833 124.064 119.950 0.469 0.000 2.404 65 F HA 0.307 4.834 4.527 -0.000 0.000 0.358 65 F C 0.097 176.035 175.800 0.229 0.000 1.120 65 F CA -0.774 57.406 58.000 0.299 0.000 1.144 65 F CB 0.637 39.775 39.000 0.230 0.000 1.133 65 F HN 0.170 nan 8.300 nan 0.000 0.495 66 K N 6.227 126.855 120.400 0.379 0.000 2.172 66 K HA 0.490 4.810 4.320 -0.000 0.000 0.276 66 K C -0.424 176.278 176.600 0.171 0.000 1.013 66 K CA -0.446 55.980 56.287 0.232 0.000 0.913 66 K CB 1.845 34.460 32.500 0.190 0.000 1.055 66 K HN 0.709 nan 8.250 nan 0.000 0.461 67 M N -0.482 119.185 119.600 0.112 0.000 2.326 67 M HA 0.393 4.873 4.480 -0.000 0.000 0.306 67 M C -0.559 175.763 176.300 0.038 0.000 1.054 67 M CA -0.681 54.657 55.300 0.064 0.000 0.922 67 M CB 1.799 34.417 32.600 0.030 0.000 1.632 67 M HN 0.116 nan 8.290 nan 0.000 0.436 68 T N 1.127 115.699 114.554 0.030 0.000 2.909 68 T HA 0.228 4.578 4.350 -0.000 0.000 0.289 68 T C -0.550 174.149 174.700 -0.002 0.000 1.005 68 T CA -0.232 61.879 62.100 0.018 0.000 1.084 68 T CB 0.662 69.544 68.868 0.023 0.000 0.975 68 T HN 0.631 nan 8.240 nan 0.000 0.509 69 D N 1.838 122.231 120.400 -0.012 0.000 2.520 69 D HA 0.308 4.948 4.640 -0.000 0.000 0.243 69 D C -0.306 175.971 176.300 -0.039 0.000 1.160 69 D CA 0.720 54.700 54.000 -0.034 0.000 0.877 69 D CB 0.246 41.029 40.800 -0.028 0.000 1.150 69 D HN 0.144 nan 8.370 nan 0.000 0.494 70 V N 0.973 120.839 119.914 -0.079 0.000 3.188 70 V HA 0.659 4.779 4.120 -0.000 0.000 0.305 70 V C -0.550 175.414 176.094 -0.217 0.000 1.232 70 V CA -0.960 61.292 62.300 -0.081 0.000 1.043 70 V CB 2.392 34.220 31.823 0.009 0.000 1.068 70 V HN 0.433 nan 8.190 nan 0.000 0.439 71 S N 1.638 117.221 115.700 -0.196 0.000 2.736 71 S HA 0.831 5.301 4.470 -0.000 0.000 0.285 71 S C -1.262 173.232 174.600 -0.178 0.000 1.163 71 S CA -0.476 57.545 58.200 -0.299 0.000 1.025 71 S CB 0.568 63.677 63.200 -0.151 0.000 1.030 71 S HN 0.822 nan 8.310 nan 0.000 0.486 72 F N 1.083 121.011 119.950 -0.038 0.000 2.664 72 F HA 0.799 5.326 4.527 -0.000 0.000 0.329 72 F C -0.723 175.057 175.800 -0.034 0.000 1.090 72 F CA -1.285 56.693 58.000 -0.037 0.000 0.978 72 F CB 0.758 39.730 39.000 -0.047 0.000 1.378 72 F HN 0.240 nan 8.300 nan 0.000 0.495 73 D N 0.798 121.368 120.400 0.283 0.000 2.593 73 D HA 0.304 4.944 4.640 -0.000 0.000 0.251 73 D C -1.281 175.094 176.300 0.126 0.000 1.140 73 D CA -0.219 53.875 54.000 0.158 0.000 0.855 73 D CB 2.162 43.008 40.800 0.077 0.000 1.267 73 D HN 0.607 nan 8.370 nan 0.000 0.532 74 S N 1.227 116.993 115.700 0.110 0.000 2.525 74 S HA 0.154 4.624 4.470 -0.000 0.000 0.290 74 S C 0.697 175.316 174.600 0.032 0.000 1.152 74 S CA -0.548 57.682 58.200 0.051 0.000 1.072 74 S CB 1.323 64.552 63.200 0.047 0.000 1.027 74 S HN 0.158 nan 8.310 nan 0.000 0.500 75 D N 3.037 123.446 120.400 0.015 0.000 2.263 75 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 75 D C 1.351 177.660 176.300 0.016 0.000 0.971 75 D CA 1.289 55.296 54.000 0.011 0.000 0.867 75 D CB 0.080 40.882 40.800 0.003 0.000 0.929 75 D HN 0.614 nan 8.370 nan 0.000 0.492 76 T N -0.218 114.349 114.554 0.022 0.000 3.044 76 T HA 0.162 4.512 4.350 -0.000 0.000 0.237 76 T C 2.070 176.813 174.700 0.071 0.000 1.001 76 T CA 0.019 62.142 62.100 0.039 0.000 1.160 76 T CB 0.266 69.152 68.868 0.031 0.000 0.889 76 T HN 0.035 nan 8.240 nan 0.000 0.442 77 L N 0.540 121.798 121.223 0.058 0.000 2.375 77 L HA 0.314 4.654 4.340 -0.000 0.000 0.215 77 L C 1.665 178.567 176.870 0.053 0.000 1.108 77 L CA 0.296 55.179 54.840 0.072 0.000 0.830 77 L CB -0.742 41.330 42.059 0.022 0.000 0.959 77 L HN 0.537 nan 8.230 nan 0.000 0.457 78 G N 0.701 109.527 108.800 0.044 0.000 2.499 78 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.232 78 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.232 78 G C -0.451 174.467 174.900 0.031 0.000 1.251 78 G CA -0.600 44.517 45.100 0.028 0.000 0.917 78 G HN 0.177 nan 8.290 nan 0.000 0.580 79 K N 0.452 120.852 120.400 0.001 0.000 2.383 79 K HA 0.464 4.784 4.320 -0.000 0.000 0.286 79 K C -0.087 176.473 176.600 -0.067 0.000 1.051 79 K CA 0.373 56.646 56.287 -0.023 0.000 0.974 79 K CB 0.538 33.020 32.500 -0.031 0.000 0.968 79 K HN 0.394 nan 8.250 nan 0.000 0.475 80 I N 3.643 124.127 120.570 -0.143 0.000 2.418 80 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 80 I C -0.382 175.430 176.117 -0.508 0.000 1.008 80 I CA -0.753 60.379 61.300 -0.281 0.000 1.104 80 I CB 1.551 39.415 38.000 -0.226 0.000 1.264 80 I HN 0.365 nan 8.210 nan 0.000 0.438 81 K N 6.950 127.159 120.400 -0.318 0.000 2.345 81 K HA 0.628 4.948 4.320 -0.000 0.000 0.255 81 K C -0.961 175.501 176.600 -0.230 0.000 0.934 81 K CA -0.648 55.466 56.287 -0.288 0.000 0.801 81 K CB 2.783 35.199 32.500 -0.140 0.000 1.137 81 K HN 0.487 nan 8.250 nan 0.000 0.424 82 I N 3.540 123.962 120.570 -0.247 0.000 2.331 82 I HA 0.276 4.446 4.170 -0.000 0.000 0.292 82 I C -0.025 176.035 176.117 -0.094 0.000 0.998 82 I CA -0.634 60.569 61.300 -0.162 0.000 1.267 82 I CB 0.730 38.636 38.000 -0.157 0.000 1.386 82 I HN 0.299 nan 8.210 nan 0.000 0.476 83 R N 5.547 126.014 120.500 -0.055 0.000 2.467 83 R HA 0.325 4.665 4.340 -0.000 0.000 0.299 83 R C -0.722 175.568 176.300 -0.015 0.000 1.120 83 R CA -0.748 55.333 56.100 -0.032 0.000 0.940 83 R CB 1.000 31.286 30.300 -0.023 0.000 1.161 83 R HN 0.587 nan 8.270 nan 0.000 0.506 84 N N 0.350 119.042 118.700 -0.014 0.000 2.441 84 N HA -0.004 4.736 4.740 -0.000 0.000 0.251 84 N C 0.923 176.430 175.510 -0.006 0.000 1.242 84 N CA 1.309 54.357 53.050 -0.005 0.000 0.898 84 N CB 0.726 39.212 38.487 -0.001 0.000 1.100 84 N HN 0.759 nan 8.380 nan 0.000 0.443 85 G N 1.217 110.015 108.800 -0.004 0.000 2.390 85 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.299 85 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.299 85 G C -0.220 174.674 174.900 -0.011 0.000 1.002 85 G CA 0.593 45.689 45.100 -0.007 0.000 0.979 85 G HN 0.552 nan 8.290 nan 0.000 0.513 86 K N 0.256 120.649 120.400 -0.011 0.000 2.270 86 K HA 0.540 4.860 4.320 -0.000 0.000 0.255 86 K C 0.742 177.328 176.600 -0.024 0.000 0.936 86 K CA -0.161 56.113 56.287 -0.023 0.000 0.809 86 K CB 1.693 34.175 32.500 -0.030 0.000 1.131 86 K HN 0.370 nan 8.250 nan 0.000 0.427 87 S N 1.074 116.752 115.700 -0.036 0.000 2.608 87 S HA 0.035 4.505 4.470 -0.000 0.000 0.261 87 S C 0.546 175.110 174.600 -0.060 0.000 1.314 87 S CA -0.272 57.905 58.200 -0.038 0.000 0.992 87 S CB 0.675 63.850 63.200 -0.041 0.000 0.935 87 S HN 0.501 nan 8.310 nan 0.000 0.564 88 D N 1.707 122.075 120.400 -0.054 0.000 2.106 88 D HA -0.106 4.534 4.640 -0.000 0.000 0.191 88 D C 2.264 178.461 176.300 -0.171 0.000 0.997 88 D CA 2.155 56.106 54.000 -0.081 0.000 0.834 88 D CB -1.020 39.752 40.800 -0.046 0.000 0.956 88 D HN 0.733 nan 8.370 nan 0.000 0.448 89 A N 0.549 123.285 122.820 -0.140 0.000 1.948 89 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 89 A C 2.070 179.528 177.584 -0.209 0.000 1.177 89 A CA 1.807 53.742 52.037 -0.169 0.000 0.636 89 A CB -0.665 18.271 19.000 -0.106 0.000 0.815 89 A HN 0.313 nan 8.150 nan 0.000 0.449 90 Q N -1.153 118.549 119.800 -0.162 0.000 2.172 90 Q HA -0.026 4.314 4.340 -0.000 0.000 0.200 90 Q C 2.126 178.004 176.000 -0.203 0.000 0.964 90 Q CA 1.279 56.992 55.803 -0.150 0.000 0.855 90 Q CB -0.258 28.425 28.738 -0.092 0.000 0.918 90 Q HN 0.739 nan 8.270 nan 0.000 0.444 91 M N 0.699 120.154 119.600 -0.242 0.000 2.108 91 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 91 M C 2.196 178.129 176.300 -0.611 0.000 1.066 91 M CA 1.417 56.561 55.300 -0.260 0.000 1.107 91 M CB -0.248 32.255 32.600 -0.163 0.000 1.356 91 M HN -0.002 nan 8.290 nan 0.000 0.406 92 K N 0.667 120.423 120.400 -1.073 0.000 2.442 92 K HA -0.139 4.181 4.320 -0.000 0.000 0.198 92 K C 1.318 177.496 176.600 -0.704 0.000 1.042 92 K CA 1.049 56.319 56.287 -1.694 0.000 0.958 92 K CB 0.121 31.904 32.500 -1.196 0.000 0.766 92 K HN 0.411 nan 8.250 nan 0.000 0.474 93 E N 0.338 120.314 120.200 -0.373 0.000 2.285 93 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 93 E C -0.032 176.532 176.600 -0.061 0.000 0.997 93 E CA 0.130 56.435 56.400 -0.159 0.000 0.845 93 E CB 0.219 29.847 29.700 -0.120 0.000 0.782 93 E HN 0.195 nan 8.360 nan 0.000 0.491 94 E N 1.559 121.732 120.200 -0.045 0.000 2.392 94 E HA -0.023 4.327 4.350 -0.000 0.000 0.264 94 E C -0.991 175.713 176.600 0.173 0.000 1.024 94 E CA 0.097 56.535 56.400 0.064 0.000 0.903 94 E CB 0.758 30.509 29.700 0.086 0.000 0.963 94 E HN -0.133 nan 8.360 nan 0.000 0.432 95 D N 2.141 122.606 120.400 0.108 0.000 2.441 95 D HA 0.530 5.170 4.640 -0.000 0.000 0.221 95 D C -1.378 174.969 176.300 0.077 0.000 1.156 95 D CA 0.045 54.108 54.000 0.105 0.000 0.896 95 D CB 0.072 40.905 40.800 0.055 0.000 1.028 95 D HN 0.470 nan 8.370 nan 0.000 0.509 96 A N 3.056 125.932 122.820 0.093 0.000 2.566 96 A HA 0.282 4.602 4.320 -0.000 0.000 0.290 96 A C 0.146 177.691 177.584 -0.065 0.000 1.071 96 A CA -0.707 51.339 52.037 0.014 0.000 0.658 96 A CB 0.960 19.966 19.000 0.011 0.000 1.285 96 A HN 0.347 nan 8.150 nan 0.000 0.427 97 D N -0.328 120.016 120.400 -0.093 0.000 2.137 97 D HA 0.123 4.763 4.640 -0.000 0.000 0.202 97 D C 0.163 176.335 176.300 -0.214 0.000 0.970 97 D CA 1.474 55.384 54.000 -0.149 0.000 0.837 97 D CB 0.195 40.950 40.800 -0.074 0.000 0.981 97 D HN 0.389 nan 8.370 nan 0.000 0.475 98 L N 0.897 122.040 121.223 -0.133 0.000 2.408 98 L HA 0.392 4.732 4.340 -0.000 0.000 0.268 98 L C -0.945 175.905 176.870 -0.032 0.000 0.986 98 L CA -0.727 54.048 54.840 -0.109 0.000 0.820 98 L CB 3.255 45.263 42.059 -0.085 0.000 1.303 98 L HN -0.342 nan 8.230 nan 0.000 0.411 99 V N 4.332 124.291 119.914 0.076 0.000 2.448 99 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 99 V C -0.084 176.062 176.094 0.086 0.000 1.025 99 V CA -0.319 62.052 62.300 0.117 0.000 0.859 99 V CB 2.119 34.117 31.823 0.292 0.000 0.988 99 V HN 0.496 nan 8.190 nan 0.000 0.431 100 I N 3.862 124.426 120.570 -0.009 0.000 2.404 100 I HA 0.554 4.724 4.170 -0.000 0.000 0.293 100 I C -0.145 175.968 176.117 -0.006 0.000 0.992 100 I CA -0.116 61.165 61.300 -0.030 0.000 1.149 100 I CB 2.131 39.987 38.000 -0.240 0.000 1.315 100 I HN 0.513 nan 8.210 nan 0.000 0.446 101 T N 6.812 121.416 114.554 0.083 0.000 2.949 101 T HA 0.329 4.679 4.350 -0.000 0.000 0.300 101 T C -2.603 172.179 174.700 0.136 0.000 0.988 101 T CA -1.137 61.007 62.100 0.074 0.000 0.993 101 T CB 1.842 70.749 68.868 0.066 0.000 0.984 101 T HN 0.340 nan 8.240 nan 0.000 0.442 102 P HA 0.240 nan 4.420 nan 0.000 0.269 102 P C -0.902 176.431 177.300 0.055 0.000 1.215 102 P CA -0.274 62.905 63.100 0.131 0.000 0.780 102 P CB 0.800 32.541 31.700 0.069 0.000 0.898 103 V N 3.141 123.071 119.914 0.026 0.000 2.483 103 V HA 0.158 4.278 4.120 -0.000 0.000 0.297 103 V C 0.454 176.441 176.094 -0.178 0.000 1.027 103 V CA -0.425 61.852 62.300 -0.037 0.000 0.855 103 V CB 1.633 33.467 31.823 0.017 0.000 0.995 103 V HN 0.438 nan 8.190 nan 0.000 0.424 104 E N 4.019 124.081 120.200 -0.231 0.000 2.122 104 E HA 0.267 4.617 4.350 -0.000 0.000 0.288 104 E C 1.002 177.590 176.600 -0.021 0.000 1.260 104 E CA 0.010 56.181 56.400 -0.383 0.000 1.344 104 E CB 1.094 30.629 29.700 -0.274 0.000 1.337 104 E HN 0.869 nan 8.360 nan 0.000 0.484 105 G N 1.146 109.979 108.800 0.055 0.000 3.324 105 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.251 105 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.251 105 G C 0.848 175.835 174.900 0.143 0.000 1.072 105 G CA -0.693 44.465 45.100 0.096 0.000 0.787 105 G HN 0.349 nan 8.290 nan 0.000 0.537 106 R N -0.352 120.315 120.500 0.278 0.000 3.264 106 R HA -0.238 4.102 4.340 -0.000 0.000 0.251 106 R C 1.399 177.746 176.300 0.079 0.000 0.971 106 R CA 0.833 57.032 56.100 0.165 0.000 0.658 106 R CB -1.721 28.621 30.300 0.071 0.000 1.095 106 R HN 0.393 nan 8.270 nan 0.000 0.443 107 A N -0.301 122.573 122.820 0.091 0.000 2.168 107 A HA 0.154 4.474 4.320 -0.000 0.000 0.215 107 A C 0.429 178.015 177.584 0.003 0.000 1.152 107 A CA 0.689 52.745 52.037 0.031 0.000 0.716 107 A CB 0.224 19.234 19.000 0.017 0.000 0.794 107 A HN 0.201 nan 8.150 nan 0.000 0.465 108 L N -0.521 120.705 121.223 0.005 0.000 2.365 108 L HA 0.337 4.677 4.340 -0.000 0.000 0.273 108 L C 0.075 176.907 176.870 -0.063 0.000 1.000 108 L CA -0.643 54.177 54.840 -0.033 0.000 0.819 108 L CB 1.800 43.841 42.059 -0.030 0.000 1.284 108 L HN 0.337 nan 8.230 nan 0.000 0.418 109 E N 3.118 123.278 120.200 -0.066 0.000 2.220 109 E HA 0.414 4.764 4.350 -0.000 0.000 0.272 109 E C -1.517 175.019 176.600 -0.106 0.000 1.099 109 E CA -0.068 56.286 56.400 -0.077 0.000 0.907 109 E CB 0.572 30.236 29.700 -0.061 0.000 1.022 109 E HN 0.414 nan 8.360 nan 0.000 0.428 110 V N 3.712 123.542 119.914 -0.139 0.000 2.841 110 V HA 0.216 4.336 4.120 -0.000 0.000 0.310 110 V C -0.183 175.806 176.094 -0.174 0.000 1.090 110 V CA -0.920 61.271 62.300 -0.181 0.000 0.930 110 V CB 2.420 34.076 31.823 -0.279 0.000 1.014 110 V HN 0.648 nan 8.190 nan 0.000 0.425 111 T N 2.755 117.213 114.554 -0.161 0.000 3.281 111 T HA 0.169 4.519 4.350 -0.000 0.000 0.359 111 T C 1.386 175.983 174.700 -0.172 0.000 1.459 111 T CA -0.129 61.890 62.100 -0.135 0.000 1.114 111 T CB 0.718 69.530 68.868 -0.093 0.000 1.162 111 T HN 0.442 nan 8.240 nan 0.000 0.665 112 V N 2.554 122.341 119.914 -0.211 0.000 2.352 112 V HA -0.312 3.808 4.120 -0.000 0.000 0.263 112 V C 2.640 178.625 176.094 -0.181 0.000 1.103 112 V CA 2.570 64.722 62.300 -0.246 0.000 1.099 112 V CB -0.911 30.791 31.823 -0.203 0.000 0.685 112 V HN 0.872 nan 8.190 nan 0.000 0.455 113 G N -1.837 106.894 108.800 -0.114 0.000 2.471 113 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 113 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 113 G C 1.400 176.268 174.900 -0.052 0.000 1.125 113 G CA 0.620 45.679 45.100 -0.068 0.000 0.775 113 G HN 0.611 nan 8.290 nan 0.000 0.548 114 Q N -0.282 119.476 119.800 -0.069 0.000 2.245 114 Q HA 0.013 4.353 4.340 -0.000 0.000 0.201 114 Q C 0.547 176.545 176.000 -0.004 0.000 0.955 114 Q CA 0.239 56.023 55.803 -0.032 0.000 0.870 114 Q CB 0.087 28.803 28.738 -0.035 0.000 0.945 114 Q HN 0.351 nan 8.270 nan 0.000 0.461 115 N N -0.164 118.491 118.700 -0.075 0.000 2.735 115 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 115 N C 0.190 175.847 175.510 0.246 0.000 1.083 115 N CA 0.639 53.695 53.050 0.010 0.000 0.703 115 N CB -1.145 37.464 38.487 0.204 0.000 1.005 115 N HN 0.321 nan 8.380 nan 0.000 0.550 116 L N -1.200 120.088 121.223 0.110 0.000 2.425 116 L HA 0.095 4.435 4.340 -0.000 0.000 0.215 116 L C 0.573 177.630 176.870 0.312 0.000 1.065 116 L CA 0.929 55.925 54.840 0.260 0.000 0.842 116 L CB 0.358 42.492 42.059 0.125 0.000 1.033 116 L HN -0.009 nan 8.230 nan 0.000 0.474 117 T N 0.091 114.651 114.554 0.011 0.000 2.824 117 T HA 0.565 4.915 4.350 -0.000 0.000 0.282 117 T C -1.075 173.410 174.700 -0.358 0.000 0.993 117 T CA -0.198 61.875 62.100 -0.044 0.000 0.967 117 T CB 1.603 70.401 68.868 -0.117 0.000 0.960 117 T HN -0.246 nan 8.240 nan 0.000 0.441 118 F N 1.310 121.084 119.950 -0.293 0.000 2.556 118 F HA 0.451 4.978 4.527 -0.000 0.000 0.314 118 F C 0.351 175.892 175.800 -0.432 0.000 1.106 118 F CA -1.141 56.501 58.000 -0.597 0.000 0.911 118 F CB 1.866 40.055 39.000 -1.351 0.000 1.190 118 F HN 0.468 nan 8.300 nan 0.000 0.448 119 E N 1.044 121.242 120.200 -0.004 0.000 2.174 119 E HA 0.529 4.879 4.350 -0.000 0.000 0.282 119 E C 0.283 177.189 176.600 0.510 0.000 0.992 119 E CA -0.300 56.268 56.400 0.279 0.000 0.803 119 E CB 1.326 31.218 29.700 0.319 0.000 1.090 119 E HN 0.890 nan 8.360 nan 0.000 0.396 120 G N 3.291 112.414 108.800 0.539 0.000 3.774 120 G HA2 0.027 3.987 3.960 -0.000 0.000 0.287 120 G HA3 0.027 3.987 3.960 -0.000 0.000 0.287 120 G C 0.157 175.298 174.900 0.402 0.000 1.030 120 G CA -0.228 45.198 45.100 0.544 0.000 0.824 120 G HN 0.496 nan 8.290 nan 0.000 0.518 121 T N 1.882 116.577 114.554 0.235 0.000 2.923 121 T HA 0.332 4.682 4.350 -0.000 0.000 0.304 121 T C -0.405 174.397 174.700 0.169 0.000 1.044 121 T CA 0.788 62.931 62.100 0.072 0.000 1.141 121 T CB 0.006 68.896 68.868 0.037 0.000 1.023 121 T HN 0.456 nan 8.240 nan 0.000 0.533 122 F N -0.056 119.984 119.950 0.149 0.000 2.668 122 F HA 0.725 5.252 4.527 -0.000 0.000 0.309 122 F C -0.824 175.059 175.800 0.138 0.000 1.117 122 F CA -1.696 56.376 58.000 0.119 0.000 0.951 122 F CB 1.477 40.548 39.000 0.118 0.000 1.323 122 F HN 0.483 nan 8.300 nan 0.000 0.451 123 K N 1.375 121.995 120.400 0.368 0.000 2.221 123 K HA 0.884 5.204 4.320 -0.000 0.000 0.243 123 K C -1.359 175.444 176.600 0.337 0.000 0.968 123 K CA -1.019 55.428 56.287 0.268 0.000 0.846 123 K CB 2.626 35.221 32.500 0.159 0.000 1.141 123 K HN 1.102 nan 8.250 nan 0.000 0.434 124 V N -1.318 118.758 119.914 0.269 0.000 2.841 124 V HA 0.556 4.676 4.120 -0.000 0.000 0.310 124 V C -1.914 174.326 176.094 0.243 0.000 1.090 124 V CA -0.808 61.635 62.300 0.239 0.000 0.930 124 V CB 1.407 33.354 31.823 0.206 0.000 1.014 124 V HN 0.970 nan 8.190 nan 0.000 0.425 125 W N 4.936 126.261 121.300 0.042 0.000 2.335 125 W HA 0.495 5.155 4.660 -0.000 0.000 0.307 125 W C 0.094 176.627 176.519 0.024 0.000 1.117 125 W CA -0.888 56.474 57.345 0.029 0.000 1.228 125 W CB 0.970 30.440 29.460 0.017 0.000 1.240 125 W HN 0.904 nan 8.180 nan 0.000 0.468 126 N N 5.093 123.622 118.700 -0.285 0.000 2.482 126 N HA -0.002 4.738 4.740 -0.000 0.000 0.242 126 N C 0.083 175.151 175.510 -0.736 0.000 1.100 126 N CA -0.008 52.816 53.050 -0.376 0.000 0.946 126 N CB -0.007 38.397 38.487 -0.138 0.000 1.227 126 N HN 0.715 nan 8.380 nan 0.000 0.508 127 N N 2.782 120.899 118.700 -0.970 0.000 2.378 127 N HA 0.053 4.793 4.740 -0.000 0.000 0.243 127 N C -0.833 174.428 175.510 -0.416 0.000 1.137 127 N CA -0.122 52.333 53.050 -0.992 0.000 0.862 127 N CB 0.424 38.093 38.487 -1.364 0.000 1.116 127 N HN 0.380 nan 8.380 nan 0.000 0.499 128 T N -0.869 113.532 114.554 -0.255 0.000 2.940 128 T HA 0.092 4.442 4.350 -0.000 0.000 0.288 128 T C 1.247 175.903 174.700 -0.074 0.000 1.033 128 T CA -0.669 61.368 62.100 -0.105 0.000 1.033 128 T CB 1.738 70.630 68.868 0.040 0.000 1.079 128 T HN 0.198 nan 8.240 nan 0.000 0.496 129 S N 0.758 116.410 115.700 -0.080 0.000 2.603 129 S HA 0.100 4.570 4.470 -0.000 0.000 0.229 129 S C 0.642 175.206 174.600 -0.061 0.000 0.972 129 S CA 0.026 58.183 58.200 -0.071 0.000 0.935 129 S CB -0.093 63.057 63.200 -0.083 0.000 0.769 129 S HN 0.608 nan 8.310 nan 0.000 0.536 130 R N 0.790 121.271 120.500 -0.032 0.000 2.668 130 R HA 0.367 4.707 4.340 -0.000 0.000 0.272 130 R C -1.232 175.176 176.300 0.179 0.000 1.019 130 R CA -0.793 55.321 56.100 0.023 0.000 0.894 130 R CB 1.196 31.430 30.300 -0.110 0.000 1.228 130 R HN 0.164 nan 8.270 nan 0.000 0.460 131 K N 3.542 124.021 120.400 0.133 0.000 2.511 131 K HA 0.015 4.335 4.320 -0.000 0.000 0.280 131 K C -0.635 176.055 176.600 0.151 0.000 1.008 131 K CA 0.337 56.692 56.287 0.114 0.000 1.050 131 K CB 0.401 32.948 32.500 0.078 0.000 0.889 131 K HN 0.501 nan 8.250 nan 0.000 0.484 132 I N 3.612 124.192 120.570 0.018 0.000 2.562 132 I HA 0.254 4.424 4.170 -0.000 0.000 0.301 132 I C -1.021 175.014 176.117 -0.137 0.000 1.003 132 I CA -0.919 60.268 61.300 -0.188 0.000 1.127 132 I CB 1.496 39.304 38.000 -0.319 0.000 1.304 132 I HN 0.701 nan 8.210 nan 0.000 0.446 133 N N 8.105 126.691 118.700 -0.190 0.000 2.399 133 N HA 0.444 5.184 4.740 -0.000 0.000 0.280 133 N C -1.190 174.225 175.510 -0.158 0.000 1.008 133 N CA -0.342 52.645 53.050 -0.105 0.000 0.894 133 N CB 2.358 40.820 38.487 -0.041 0.000 1.273 133 N HN 0.426 nan 8.380 nan 0.000 0.486 134 I N 1.616 122.101 120.570 -0.141 0.000 2.330 134 I HA 0.157 4.327 4.170 -0.000 0.000 0.286 134 I C 0.986 177.019 176.117 -0.139 0.000 1.025 134 I CA -0.263 60.850 61.300 -0.312 0.000 1.197 134 I CB 0.914 38.576 38.000 -0.565 0.000 1.358 134 I HN 0.546 nan 8.210 nan 0.000 0.467 135 T N 0.610 115.132 114.554 -0.054 0.000 3.145 135 T HA 0.486 4.836 4.350 -0.000 0.000 0.281 135 T C 0.313 175.035 174.700 0.037 0.000 1.003 135 T CA -0.461 61.727 62.100 0.148 0.000 0.901 135 T CB 0.453 69.434 68.868 0.189 0.000 1.112 135 T HN 0.682 nan 8.240 nan 0.000 0.535 136 G N 0.919 109.549 108.800 -0.282 0.000 2.667 136 G HA2 0.566 4.526 3.960 -0.000 0.000 0.294 136 G HA3 0.566 4.526 3.960 -0.000 0.000 0.294 136 G C -1.999 172.577 174.900 -0.541 0.000 1.467 136 G CA -0.727 43.980 45.100 -0.656 0.000 0.852 136 G HN 0.287 nan 8.290 nan 0.000 0.521 137 M N 0.875 120.114 119.600 -0.601 0.000 2.413 137 M HA 0.620 5.100 4.480 -0.000 0.000 0.287 137 M C -2.143 174.166 176.300 0.015 0.000 1.186 137 M CA -0.558 54.664 55.300 -0.129 0.000 0.927 137 M CB 2.212 34.850 32.600 0.063 0.000 1.715 137 M HN 0.747 nan 8.290 nan 0.000 0.478 138 Q N 3.811 123.665 119.800 0.090 0.000 2.268 138 Q HA 0.471 4.811 4.340 -0.000 0.000 0.266 138 Q C -1.801 174.281 176.000 0.137 0.000 1.006 138 Q CA -0.597 55.272 55.803 0.110 0.000 0.824 138 Q CB 2.225 31.012 28.738 0.082 0.000 1.306 138 Q HN 0.748 nan 8.270 nan 0.000 0.424 139 M N 4.103 123.756 119.600 0.088 0.000 2.069 139 M HA 0.322 4.802 4.480 -0.000 0.000 0.349 139 M C -1.235 175.206 176.300 0.235 0.000 1.194 139 M CA -0.416 54.920 55.300 0.061 0.000 1.081 139 M CB 1.056 33.586 32.600 -0.116 0.000 1.500 139 M HN 0.410 nan 8.290 nan 0.000 0.438 140 V N 7.717 127.818 119.914 0.312 0.000 2.370 140 V HA 0.358 4.478 4.120 -0.000 0.000 0.279 140 V C -2.130 174.177 176.094 0.354 0.000 1.029 140 V CA -1.782 60.695 62.300 0.295 0.000 0.870 140 V CB 1.383 33.352 31.823 0.244 0.000 0.984 140 V HN 0.612 nan 8.190 nan 0.000 0.451 141 P HA 0.100 nan 4.420 nan 0.000 0.268 141 P C -0.456 176.792 177.300 -0.087 0.000 1.204 141 P CA -0.186 62.928 63.100 0.024 0.000 0.768 141 P CB 0.486 32.298 31.700 0.186 0.000 0.842 142 K N 4.074 124.347 120.400 -0.211 0.000 2.297 142 K HA 0.234 4.554 4.320 -0.000 0.000 0.286 142 K C -0.138 176.433 176.600 -0.049 0.000 1.053 142 K CA -0.445 55.775 56.287 -0.112 0.000 0.940 142 K CB 0.016 32.443 32.500 -0.121 0.000 1.019 142 K HN 0.398 nan 8.250 nan 0.000 0.475 143 I N 5.176 125.735 120.570 -0.019 0.000 2.517 143 I HA -0.088 4.082 4.170 -0.000 0.000 0.285 143 I C 0.653 176.784 176.117 0.023 0.000 1.106 143 I CA -0.401 60.933 61.300 0.056 0.000 1.402 143 I CB 0.149 38.167 38.000 0.031 0.000 1.399 143 I HN 0.750 nan 8.210 nan 0.000 0.535 144 N N 7.865 126.583 118.700 0.029 0.000 2.364 144 N HA 0.280 5.020 4.740 -0.000 0.000 0.264 144 N C -2.114 173.399 175.510 0.006 0.000 1.263 144 N CA -1.813 51.236 53.050 -0.000 0.000 0.959 144 N CB -0.375 38.103 38.487 -0.015 0.000 1.204 144 N HN 0.154 nan 8.380 nan 0.000 0.550 145 P HA -0.017 nan 4.420 nan 0.000 0.219 145 P C 0.351 177.653 177.300 0.003 0.000 1.146 145 P CA 1.266 64.366 63.100 -0.000 0.000 0.808 145 P CB 0.096 31.793 31.700 -0.004 0.000 0.779 146 S N -1.037 114.665 115.700 0.002 0.000 2.593 146 S HA 0.083 4.553 4.470 -0.000 0.000 0.217 146 S C 0.526 175.134 174.600 0.012 0.000 0.966 146 S CA 0.036 58.237 58.200 0.002 0.000 0.914 146 S CB -0.627 62.569 63.200 -0.007 0.000 0.776 146 S HN 0.189 nan 8.310 nan 0.000 0.523 147 K N -0.296 120.120 120.400 0.027 0.000 3.291 147 K HA -0.168 4.152 4.320 -0.000 0.000 0.290 147 K C -0.121 176.530 176.600 0.084 0.000 1.235 147 K CA 0.495 56.814 56.287 0.054 0.000 0.848 147 K CB -1.975 30.550 32.500 0.042 0.000 1.295 147 K HN 0.443 nan 8.250 nan 0.000 0.497 148 A N 0.658 123.518 122.820 0.066 0.000 2.350 148 A HA 0.930 5.250 4.320 -0.000 0.000 0.318 148 A C -0.542 177.115 177.584 0.120 0.000 1.132 148 A CA -0.647 51.406 52.037 0.026 0.000 0.811 148 A CB 0.890 19.855 19.000 -0.057 0.000 1.313 148 A HN 0.460 nan 8.150 nan 0.000 0.454 149 F N -1.632 118.292 119.950 -0.043 0.000 2.678 149 F HA 0.584 5.111 4.527 -0.000 0.000 0.308 149 F C -1.057 174.714 175.800 -0.048 0.000 1.118 149 F CA -1.247 56.714 58.000 -0.065 0.000 0.959 149 F CB 0.780 39.751 39.000 -0.048 0.000 1.305 149 F HN 0.301 nan 8.300 nan 0.000 0.443 150 V N 2.436 122.387 119.914 0.062 0.000 2.425 150 V HA 0.338 4.458 4.120 -0.000 0.000 0.276 150 V C 0.939 177.130 176.094 0.161 0.000 1.017 150 V CA 1.046 63.356 62.300 0.018 0.000 1.062 150 V CB 0.398 32.219 31.823 -0.002 0.000 0.997 150 V HN 1.106 nan 8.190 nan 0.000 0.476 151 G N 3.366 112.160 108.800 -0.011 0.000 3.605 151 G HA2 0.210 4.170 3.960 -0.000 0.000 0.277 151 G HA3 0.210 4.170 3.960 -0.000 0.000 0.277 151 G C 0.576 175.555 174.900 0.133 0.000 1.093 151 G CA 0.343 45.500 45.100 0.095 0.000 0.821 151 G HN 0.739 nan 8.290 nan 0.000 0.532 152 S N 0.193 115.989 115.700 0.159 0.000 2.624 152 S HA 0.482 4.952 4.470 -0.000 0.000 0.263 152 S C 0.850 175.583 174.600 0.223 0.000 1.287 152 S CA 0.089 58.389 58.200 0.167 0.000 0.990 152 S CB 1.086 64.389 63.200 0.172 0.000 0.950 152 S HN 0.732 nan 8.310 nan 0.000 0.561 153 S N 1.043 116.849 115.700 0.177 0.000 2.573 153 S HA 0.044 4.514 4.470 -0.000 0.000 0.297 153 S C -0.136 174.582 174.600 0.197 0.000 1.280 153 S CA -0.508 57.785 58.200 0.155 0.000 1.061 153 S CB -0.410 62.854 63.200 0.106 0.000 0.812 153 S HN 0.841 nan 8.310 nan 0.000 0.500 154 N N 1.996 120.778 118.700 0.137 0.000 2.577 154 N HA 0.271 5.011 4.740 -0.000 0.000 0.275 154 N C -1.757 173.740 175.510 -0.023 0.000 1.091 154 N CA -0.354 52.733 53.050 0.061 0.000 0.843 154 N CB 1.795 40.404 38.487 0.204 0.000 1.295 154 N HN 0.702 nan 8.380 nan 0.000 0.530 155 T N 1.679 116.167 114.554 -0.110 0.000 2.791 155 T HA 0.409 4.759 4.350 -0.000 0.000 0.288 155 T C -0.299 174.353 174.700 -0.081 0.000 0.999 155 T CA -0.332 61.730 62.100 -0.063 0.000 0.952 155 T CB 0.954 69.797 68.868 -0.042 0.000 0.938 155 T HN 0.247 nan 8.240 nan 0.000 0.444 156 S N 2.305 118.001 115.700 -0.007 0.000 2.593 156 S HA 0.842 5.312 4.470 -0.000 0.000 0.297 156 S C -0.026 174.622 174.600 0.081 0.000 1.112 156 S CA -0.858 57.374 58.200 0.053 0.000 1.043 156 S CB 1.343 64.619 63.200 0.127 0.000 1.054 156 S HN 0.869 nan 8.310 nan 0.000 0.516 157 S N 1.200 116.951 115.700 0.086 0.000 2.588 157 S HA 0.925 5.395 4.470 -0.000 0.000 0.275 157 S C -1.087 173.530 174.600 0.028 0.000 1.130 157 S CA -0.903 57.261 58.200 -0.060 0.000 0.855 157 S CB 1.255 64.382 63.200 -0.121 0.000 1.116 157 S HN 0.815 nan 8.310 nan 0.000 0.472 158 F N -2.115 117.761 119.950 -0.124 0.000 2.741 158 F HA 0.759 5.286 4.527 -0.000 0.000 0.311 158 F C -1.260 174.383 175.800 -0.261 0.000 1.149 158 F CA -0.900 56.923 58.000 -0.295 0.000 0.930 158 F CB 1.142 39.944 39.000 -0.330 0.000 1.312 158 F HN 0.488 nan 8.300 nan 0.000 0.450 159 T N 2.436 116.862 114.554 -0.213 0.000 2.864 159 T HA 0.481 4.831 4.350 -0.000 0.000 0.310 159 T C -2.836 171.911 174.700 0.079 0.000 1.040 159 T CA -1.260 60.779 62.100 -0.103 0.000 0.977 159 T CB 1.225 70.015 68.868 -0.130 0.000 0.976 159 T HN 0.305 nan 8.240 nan 0.000 0.459 160 P HA 0.201 nan 4.420 nan 0.000 0.266 160 P C -0.774 176.690 177.300 0.273 0.000 1.193 160 P CA -0.273 63.087 63.100 0.434 0.000 0.770 160 P CB 0.610 32.511 31.700 0.335 0.000 0.836 161 V N 2.028 122.114 119.914 0.287 0.000 2.925 161 V HA 0.639 4.759 4.120 -0.000 0.000 0.311 161 V C -0.995 175.162 176.094 0.104 0.000 1.104 161 V CA -0.485 61.918 62.300 0.171 0.000 0.954 161 V CB 2.409 34.343 31.823 0.185 0.000 1.022 161 V HN 0.669 nan 8.190 nan 0.000 0.427 162 S N 6.552 122.296 115.700 0.073 0.000 2.473 162 S HA 0.806 5.276 4.470 -0.000 0.000 0.307 162 S C -0.929 173.698 174.600 0.044 0.000 1.094 162 S CA -0.672 57.555 58.200 0.044 0.000 1.070 162 S CB 1.383 64.610 63.200 0.045 0.000 1.019 162 S HN 0.657 nan 8.310 nan 0.000 0.480 163 I N 2.247 122.834 120.570 0.029 0.000 2.436 163 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 163 I C -0.547 175.592 176.117 0.037 0.000 1.010 163 I CA -0.720 60.605 61.300 0.040 0.000 1.098 163 I CB 1.828 39.853 38.000 0.041 0.000 1.266 163 I HN 0.596 nan 8.210 nan 0.000 0.434 164 D N 4.315 124.744 120.400 0.049 0.000 2.411 164 D HA 0.159 4.799 4.640 -0.000 0.000 0.251 164 D C -0.282 176.042 176.300 0.039 0.000 1.201 164 D CA -0.383 53.645 54.000 0.047 0.000 0.996 164 D CB 0.621 41.450 40.800 0.049 0.000 1.101 164 D HN 0.449 nan 8.370 nan 0.000 0.504 165 E N 0.735 120.954 120.200 0.031 0.000 2.529 165 E HA -0.050 4.300 4.350 -0.000 0.000 0.259 165 E C -0.122 176.503 176.600 0.042 0.000 0.966 165 E CA 0.329 56.734 56.400 0.010 0.000 0.937 165 E CB 0.316 30.023 29.700 0.011 0.000 0.923 165 E HN 0.485 nan 8.360 nan 0.000 0.468 166 D N 1.160 121.570 120.400 0.017 0.000 3.059 166 D HA -0.200 4.440 4.640 -0.000 0.000 0.213 166 D C -0.650 175.860 176.300 0.350 0.000 1.144 166 D CA 1.489 55.623 54.000 0.222 0.000 0.975 166 D CB -0.421 40.523 40.800 0.239 0.000 1.125 166 D HN 0.563 nan 8.370 nan 0.000 0.412 167 E N -0.747 119.580 120.200 0.212 0.000 2.250 167 E HA 0.539 4.889 4.350 -0.000 0.000 0.265 167 E C -0.242 176.524 176.600 0.276 0.000 1.033 167 E CA -0.954 55.576 56.400 0.217 0.000 0.888 167 E CB 1.927 31.701 29.700 0.124 0.000 1.151 167 E HN -0.043 nan 8.360 nan 0.000 0.412 168 V N 0.726 120.770 119.914 0.216 0.000 2.513 168 V HA 0.642 4.762 4.120 -0.000 0.000 0.299 168 V C 0.204 176.378 176.094 0.134 0.000 1.035 168 V CA -0.533 61.887 62.300 0.201 0.000 0.889 168 V CB 1.664 33.580 31.823 0.155 0.000 0.988 168 V HN 0.771 nan 8.190 nan 0.000 0.440 169 G N 1.708 110.587 108.800 0.132 0.000 2.612 169 G HA2 0.698 4.658 3.960 -0.000 0.000 0.298 169 G HA3 0.698 4.658 3.960 -0.000 0.000 0.298 169 G C -0.605 174.360 174.900 0.109 0.000 1.336 169 G CA -0.418 44.744 45.100 0.104 0.000 0.953 169 G HN 0.764 nan 8.290 nan 0.000 0.482 170 T N -1.625 112.977 114.554 0.081 0.000 2.823 170 T HA 0.632 4.982 4.350 -0.000 0.000 0.279 170 T C -1.188 173.537 174.700 0.040 0.000 0.998 170 T CA -0.682 61.450 62.100 0.054 0.000 0.994 170 T CB 1.604 70.487 68.868 0.025 0.000 0.960 170 T HN 0.434 nan 8.240 nan 0.000 0.448 171 F N 4.482 124.265 119.950 -0.279 0.000 2.325 171 F HA 0.546 5.073 4.527 -0.000 0.000 0.369 171 F C -0.591 174.998 175.800 -0.352 0.000 1.095 171 F CA -1.361 56.418 58.000 -0.368 0.000 1.082 171 F CB 0.598 39.199 39.000 -0.665 0.000 1.289 171 F HN 0.503 nan 8.300 nan 0.000 0.462 172 V N 6.022 125.629 119.914 -0.510 0.000 2.508 172 V HA 0.312 4.432 4.120 -0.000 0.000 0.281 172 V C 0.169 175.947 176.094 -0.527 0.000 1.041 172 V CA -0.158 61.916 62.300 -0.377 0.000 1.016 172 V CB 0.159 31.856 31.823 -0.210 0.000 0.984 172 V HN 0.977 nan 8.190 nan 0.000 0.478 173 C N 2.610 121.751 119.300 -0.264 0.000 3.285 173 C HA 1.032 5.492 4.460 -0.000 0.000 0.325 173 C C -0.047 175.007 174.990 0.107 0.000 1.304 173 C CA -0.104 58.853 59.018 -0.102 0.000 1.319 173 C CB 1.159 28.853 27.740 -0.077 0.000 1.640 173 C HN 1.281 nan 8.230 nan 0.000 0.477 174 G N 0.427 109.323 108.800 0.160 0.000 2.559 174 G HA2 0.799 4.759 3.960 -0.000 0.000 0.291 174 G HA3 0.799 4.759 3.960 -0.000 0.000 0.291 174 G C -1.464 173.555 174.900 0.200 0.000 1.424 174 G CA -0.311 44.932 45.100 0.239 0.000 0.786 174 G HN 1.083 nan 8.290 nan 0.000 0.485 175 T N 0.015 114.693 114.554 0.206 0.000 2.916 175 T HA 0.722 5.072 4.350 -0.000 0.000 0.305 175 T C -0.877 173.688 174.700 -0.225 0.000 1.119 175 T CA -0.423 61.651 62.100 -0.043 0.000 1.008 175 T CB 2.045 70.839 68.868 -0.123 0.000 1.129 175 T HN 0.547 nan 8.240 nan 0.000 0.480 176 T N 2.463 116.809 114.554 -0.347 0.000 2.812 176 T HA 0.664 5.014 4.350 -0.000 0.000 0.282 176 T C -0.937 173.545 174.700 -0.364 0.000 0.990 176 T CA -0.446 61.511 62.100 -0.240 0.000 0.960 176 T CB 0.339 69.156 68.868 -0.086 0.000 0.948 176 T HN 0.335 nan 8.240 nan 0.000 0.438 177 F N 0.378 120.411 119.950 0.138 0.000 2.440 177 F HA 0.568 5.095 4.527 -0.000 0.000 0.328 177 F C 1.597 177.462 175.800 0.108 0.000 1.070 177 F CA -0.989 57.095 58.000 0.140 0.000 1.011 177 F CB 0.955 40.063 39.000 0.181 0.000 1.226 177 F HN 0.668 nan 8.300 nan 0.000 0.491 178 G N 0.273 109.245 108.800 0.287 0.000 2.920 178 G HA2 0.426 4.386 3.960 -0.000 0.000 0.208 178 G HA3 0.426 4.386 3.960 -0.000 0.000 0.208 178 G C -0.119 174.877 174.900 0.159 0.000 1.159 178 G CA 0.612 45.817 45.100 0.176 0.000 0.784 178 G HN 0.784 nan 8.290 nan 0.000 0.535 179 A N -0.529 122.413 122.820 0.203 0.000 2.589 179 A HA 0.707 5.027 4.320 -0.000 0.000 0.296 179 A C -3.082 174.596 177.584 0.156 0.000 1.062 179 A CA -1.190 50.932 52.037 0.140 0.000 0.686 179 A CB 1.050 20.110 19.000 0.099 0.000 1.282 179 A HN -0.031 nan 8.150 nan 0.000 0.404 180 P HA 0.169 nan 4.420 nan 0.000 0.264 180 P C -0.408 176.943 177.300 0.085 0.000 1.183 180 P CA 0.146 63.321 63.100 0.124 0.000 0.763 180 P CB 0.225 31.976 31.700 0.085 0.000 0.807 181 I N 2.199 122.833 120.570 0.107 0.000 2.472 181 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 181 I C 0.660 176.798 176.117 0.035 0.000 1.016 181 I CA -0.420 60.869 61.300 -0.018 0.000 1.348 181 I CB 0.587 38.473 38.000 -0.190 0.000 1.417 181 I HN 0.360 nan 8.210 nan 0.000 0.521 182 A N 4.191 127.004 122.820 -0.012 0.000 2.498 182 A HA 0.736 5.056 4.320 -0.000 0.000 0.298 182 A C 0.517 178.091 177.584 -0.017 0.000 1.075 182 A CA -0.087 51.954 52.037 0.007 0.000 0.714 182 A CB 1.415 20.419 19.000 0.006 0.000 1.299 182 A HN 0.761 nan 8.150 nan 0.000 0.407 183 A N 0.411 123.231 122.820 0.001 0.000 2.067 183 A HA 0.198 4.518 4.320 -0.000 0.000 0.219 183 A C 1.202 178.772 177.584 -0.022 0.000 1.158 183 A CA 1.711 53.743 52.037 -0.007 0.000 0.661 183 A CB -0.955 18.052 19.000 0.012 0.000 0.801 183 A HN 0.916 nan 8.150 nan 0.000 0.452 184 T N 0.743 115.285 114.554 -0.020 0.000 2.891 184 T HA 0.297 4.647 4.350 -0.000 0.000 0.296 184 T C 1.104 175.780 174.700 -0.039 0.000 1.025 184 T CA 0.911 62.997 62.100 -0.024 0.000 1.149 184 T CB 0.304 69.160 68.868 -0.019 0.000 1.007 184 T HN 1.612 nan 8.240 nan 0.000 0.528 185 A N 2.673 125.472 122.820 -0.035 0.000 2.799 185 A HA -0.006 4.314 4.320 -0.000 0.000 0.287 185 A C 1.667 179.216 177.584 -0.057 0.000 1.484 185 A CA 1.266 53.279 52.037 -0.041 0.000 0.813 185 A CB -2.183 16.791 19.000 -0.044 0.000 1.009 185 A HN 2.592 nan 8.150 nan 0.000 0.545 186 G N -2.652 106.112 108.800 -0.060 0.000 2.249 186 G HA2 0.024 3.984 3.960 -0.000 0.000 0.273 186 G HA3 0.024 3.984 3.960 -0.000 0.000 0.273 186 G C 1.700 176.511 174.900 -0.148 0.000 1.036 186 G CA 1.124 46.172 45.100 -0.086 0.000 0.824 186 G HN 2.277 nan 8.290 nan 0.000 0.504 187 G N 0.144 108.864 108.800 -0.134 0.000 2.598 187 G HA2 0.038 3.998 3.960 -0.000 0.000 0.215 187 G HA3 0.038 3.998 3.960 -0.000 0.000 0.215 187 G C 1.122 175.869 174.900 -0.256 0.000 1.131 187 G CA 1.007 45.996 45.100 -0.184 0.000 0.785 187 G HN 1.026 nan 8.290 nan 0.000 0.539 188 N N -0.893 117.697 118.700 -0.183 0.000 2.214 188 N HA 0.260 5.000 4.740 -0.000 0.000 0.214 188 N C 0.094 175.578 175.510 -0.043 0.000 1.132 188 N CA -0.366 52.640 53.050 -0.073 0.000 0.856 188 N CB 0.217 38.697 38.487 -0.013 0.000 1.020 188 N HN 0.106 nan 8.380 nan 0.000 0.509 189 L N 1.178 122.212 121.223 -0.316 0.000 2.289 189 L HA 0.522 4.862 4.340 -0.000 0.000 0.285 189 L C -1.007 175.539 176.870 -0.540 0.000 1.049 189 L CA -0.718 53.991 54.840 -0.218 0.000 0.804 189 L CB 0.706 42.676 42.059 -0.147 0.000 1.195 189 L HN 0.049 nan 8.230 nan 0.000 0.428 190 F N 0.178 120.116 119.950 -0.020 0.000 2.692 190 F HA 0.435 4.962 4.527 -0.000 0.000 0.320 190 F C -0.490 175.262 175.800 -0.081 0.000 1.123 190 F CA -0.961 57.019 58.000 -0.034 0.000 0.961 190 F CB 1.829 40.790 39.000 -0.065 0.000 1.383 190 F HN 0.295 nan 8.300 nan 0.000 0.483 191 D N 2.099 122.582 120.400 0.137 0.000 2.505 191 D HA 0.237 4.877 4.640 -0.000 0.000 0.250 191 D C -1.052 175.167 176.300 -0.136 0.000 1.164 191 D CA -0.189 53.761 54.000 -0.084 0.000 0.870 191 D CB 2.179 42.906 40.800 -0.123 0.000 1.160 191 D HN 0.450 nan 8.370 nan 0.000 0.549 192 M N 3.303 122.772 119.600 -0.218 0.000 2.120 192 M HA 0.220 4.700 4.480 -0.000 0.000 0.354 192 M C -1.442 174.705 176.300 -0.256 0.000 1.287 192 M CA -0.293 54.911 55.300 -0.160 0.000 1.103 192 M CB 0.364 32.881 32.600 -0.139 0.000 1.623 192 M HN 0.223 nan 8.290 nan 0.000 0.471 193 Y N 4.820 125.100 120.300 -0.034 0.000 2.353 193 Y HA 0.452 5.002 4.550 -0.000 0.000 0.340 193 Y C -0.064 175.815 175.900 -0.035 0.000 0.972 193 Y CA -0.756 57.319 58.100 -0.042 0.000 1.157 193 Y CB 1.107 39.544 38.460 -0.039 0.000 1.157 193 Y HN 0.505 nan 8.280 nan 0.000 0.495 194 V N 0.596 120.536 119.914 0.043 0.000 2.398 194 V HA 0.457 4.577 4.120 -0.000 0.000 0.286 194 V C -0.660 175.404 176.094 -0.050 0.000 1.026 194 V CA -0.865 61.419 62.300 -0.027 0.000 0.868 194 V CB 1.188 32.989 31.823 -0.038 0.000 0.982 194 V HN 0.781 nan 8.190 nan 0.000 0.443 195 H N 3.632 122.592 119.070 -0.184 0.000 2.668 195 H HA 0.713 5.269 4.556 -0.000 0.000 0.303 195 H C -0.676 174.533 175.328 -0.198 0.000 1.074 195 H CA -0.044 55.912 56.048 -0.154 0.000 1.406 195 H CB 1.419 31.102 29.762 -0.132 0.000 1.442 195 H HN 0.741 nan 8.280 nan 0.000 0.482 196 V N 5.252 124.779 119.914 -0.645 0.000 2.680 196 V HA 0.521 4.641 4.120 -0.000 0.000 0.309 196 V C -0.230 175.499 176.094 -0.609 0.000 1.052 196 V CA -0.616 61.376 62.300 -0.513 0.000 0.908 196 V CB 2.083 33.685 31.823 -0.369 0.000 1.001 196 V HN 0.962 nan 8.190 nan 0.000 0.431 197 T N 2.171 116.465 114.554 -0.434 0.000 2.932 197 T HA 0.381 4.731 4.350 -0.000 0.000 0.318 197 T C -0.351 174.199 174.700 -0.250 0.000 1.265 197 T CA -0.313 61.617 62.100 -0.284 0.000 1.036 197 T CB 1.404 70.206 68.868 -0.110 0.000 1.209 197 T HN 0.493 nan 8.240 nan 0.000 0.484 198 Y N 0.921 121.187 120.300 -0.057 0.000 2.482 198 Y HA 0.034 4.584 4.550 -0.000 0.000 0.270 198 Y C 2.600 178.490 175.900 -0.016 0.000 1.152 198 Y CA 0.295 58.373 58.100 -0.037 0.000 1.292 198 Y CB 0.367 38.804 38.460 -0.039 0.000 1.070 198 Y HN 0.765 nan 8.280 nan 0.000 0.528 199 S N 0.140 115.912 115.700 0.120 0.000 2.537 199 S HA 0.185 4.655 4.470 -0.000 0.000 0.214 199 S C 1.185 175.830 174.600 0.075 0.000 1.157 199 S CA 0.536 58.788 58.200 0.087 0.000 1.500 199 S CB -1.071 62.170 63.200 0.069 0.000 1.050 199 S HN 0.577 nan 8.310 nan 0.000 0.387 200 G N -0.898 107.938 108.800 0.060 0.000 2.885 200 G HA2 0.325 4.285 3.960 -0.000 0.000 0.685 200 G HA3 0.325 4.285 3.960 -0.000 0.000 0.685 200 G C -0.580 174.349 174.900 0.049 0.000 1.216 200 G CA -0.402 44.730 45.100 0.054 0.000 0.790 200 G HN 0.846 nan 8.290 nan 0.000 0.631 201 T N 0.000 114.582 114.554 0.047 0.000 3.816 201 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 201 T CA 0.000 62.125 62.100 0.042 0.000 1.349 201 T CB 0.000 68.894 68.868 0.043 0.000 0.612 201 T HN 0.000 nan 8.240 nan 0.000 0.658