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 3gok_1_H DATA FIRST_RESID 46 DATA SEQUENCE FHVKSGLQIK KNAIIDDYKV TSQVLGLGIN GKVLQIFNKR TQEKFALKML DATA SEQUENCE QDCPKARREV ELHWRASQCP HIVRIVDVYE NLYAGRKCLL IVMECLDGGE DATA SEQUENCE LFSRIQDRGD QAFTEREASE IMKSIGEAIQ YLHSINIAHR DVKPENLLYT DATA SEQUENCE SKRPNAILKL TDFGFAKETT XXXXXXXXXX XPYYVAPEVL GPEKYDKSCD DATA SEQUENCE MWSLGVIMYI LLCGYPPFYS NXXXXISPGM KTRIRMGQYE FPNPEWSEVS DATA SEQUENCE EEVKMLIRNL LKTEPTQRMT ITEFMNHPWI MQSTKVPQTP LHTSRVLKED DATA SEQUENCE KERWE 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 46 F HA 0.000 nan 4.527 nan 0.000 0.279 46 F C 0.000 175.923 175.800 0.204 0.000 0.967 46 F CA 0.000 58.086 58.000 0.143 0.000 1.383 46 F CB 0.000 39.045 39.000 0.076 0.000 1.145 47 H N 3.730 122.754 119.070 -0.076 0.000 2.685 47 H HA 0.607 5.159 4.556 -0.006 0.000 0.286 47 H C -0.442 174.854 175.328 -0.054 0.000 1.102 47 H CA -0.588 55.452 56.048 -0.015 0.000 1.254 47 H CB 0.973 30.715 29.762 -0.033 0.000 1.397 47 H HN 0.310 nan 8.280 nan 0.000 0.473 48 V N 0.785 120.785 119.914 0.144 0.000 2.630 48 V HA 0.603 4.719 4.120 -0.006 0.000 0.305 48 V C -0.110 176.042 176.094 0.098 0.000 1.046 48 V CA -0.993 61.374 62.300 0.110 0.000 0.934 48 V CB 2.162 34.080 31.823 0.158 0.000 1.003 48 V HN 0.359 nan 8.190 nan 0.000 0.451 49 K N 2.326 122.778 120.400 0.086 0.000 2.208 49 K HA 0.524 4.840 4.320 -0.006 0.000 0.247 49 K C 0.127 176.801 176.600 0.123 0.000 0.953 49 K CA -0.281 56.051 56.287 0.076 0.000 0.837 49 K CB 2.122 34.639 32.500 0.029 0.000 1.131 49 K HN 1.063 nan 8.250 nan 0.000 0.431 50 S N 0.033 115.823 115.700 0.151 0.000 2.568 50 S HA 0.263 4.729 4.470 -0.006 0.000 0.282 50 S C 0.731 175.542 174.600 0.351 0.000 1.338 50 S CA -0.470 57.851 58.200 0.202 0.000 1.045 50 S CB 0.736 64.042 63.200 0.178 0.000 0.873 50 S HN 0.636 nan 8.310 nan 0.000 0.516 51 G N 0.375 109.329 108.800 0.257 0.000 2.535 51 G HA2 0.458 4.414 3.960 -0.006 0.000 0.282 51 G HA3 0.458 4.414 3.960 -0.006 0.000 0.282 51 G C -0.708 174.180 174.900 -0.020 0.000 1.350 51 G CA -0.889 44.370 45.100 0.266 0.000 1.039 51 G HN 0.787 nan 8.290 nan 0.000 0.509 52 L N -0.307 120.638 121.223 -0.463 0.000 2.260 52 L HA 0.463 4.799 4.340 -0.006 0.000 0.289 52 L C -0.006 176.549 176.870 -0.526 0.000 1.057 52 L CA -0.591 53.647 54.840 -1.003 0.000 0.811 52 L CB 1.324 42.605 42.059 -1.297 0.000 1.184 52 L HN 0.437 nan 8.230 nan 0.000 0.429 53 Q N 5.310 124.838 119.800 -0.454 0.000 2.360 53 Q HA 0.403 4.739 4.340 -0.006 0.000 0.254 53 Q C -0.983 174.824 176.000 -0.321 0.000 0.975 53 Q CA -0.221 55.405 55.803 -0.295 0.000 0.912 53 Q CB 0.585 29.198 28.738 -0.207 0.000 1.212 53 Q HN 0.631 nan 8.270 nan 0.000 0.452 54 I N 4.431 124.838 120.570 -0.272 0.000 2.436 54 I HA 0.124 4.291 4.170 -0.006 0.000 0.289 54 I C 0.445 176.418 176.117 -0.241 0.000 1.083 54 I CA -0.226 60.918 61.300 -0.261 0.000 1.372 54 I CB 0.432 38.319 38.000 -0.189 0.000 1.408 54 I HN 0.506 nan 8.210 nan 0.000 0.516 55 K N 6.282 126.472 120.400 -0.351 0.000 2.350 55 K HA 0.117 4.434 4.320 -0.006 0.000 0.279 55 K C 0.734 177.249 176.600 -0.141 0.000 1.027 55 K CA -0.365 55.725 56.287 -0.327 0.000 0.969 55 K CB 1.399 33.482 32.500 -0.695 0.000 0.954 55 K HN 0.407 nan 8.250 nan 0.000 0.474 56 K N 1.354 121.729 120.400 -0.041 0.000 2.367 56 K HA 0.009 4.325 4.320 -0.006 0.000 0.195 56 K C 0.575 177.226 176.600 0.085 0.000 1.060 56 K CA 0.180 56.482 56.287 0.024 0.000 1.022 56 K CB 0.077 32.576 32.500 -0.002 0.000 0.894 56 K HN 0.725 nan 8.250 nan 0.000 0.540 57 N N 1.476 120.242 118.700 0.111 0.000 2.371 57 N HA 0.037 4.773 4.740 -0.006 0.000 0.243 57 N C -0.201 175.410 175.510 0.169 0.000 1.287 57 N CA -0.016 53.107 53.050 0.123 0.000 0.911 57 N CB 0.713 39.266 38.487 0.111 0.000 1.142 57 N HN -0.132 nan 8.380 nan 0.000 0.451 58 A N 1.181 124.055 122.820 0.090 0.000 2.511 58 A HA 0.060 4.377 4.320 -0.006 0.000 0.242 58 A C 1.480 179.043 177.584 -0.034 0.000 1.069 58 A CA -0.492 51.568 52.037 0.037 0.000 0.763 58 A CB -0.324 18.688 19.000 0.021 0.000 1.001 58 A HN 0.859 nan 8.150 nan 0.000 0.498 59 I N 2.665 123.118 120.570 -0.195 0.000 2.394 59 I HA -0.196 3.970 4.170 -0.006 0.000 0.251 59 I C 1.888 177.894 176.117 -0.185 0.000 1.136 59 I CA 1.677 62.677 61.300 -0.501 0.000 1.425 59 I CB -0.068 37.499 38.000 -0.722 0.000 1.079 59 I HN 0.831 nan 8.210 nan 0.000 0.425 60 I N -2.262 118.253 120.570 -0.091 0.000 2.916 60 I HA -0.149 4.018 4.170 -0.006 0.000 0.267 60 I C 1.387 177.495 176.117 -0.015 0.000 1.263 60 I CA 0.885 62.169 61.300 -0.026 0.000 1.471 60 I CB -0.711 37.282 38.000 -0.011 0.000 1.089 60 I HN 0.062 nan 8.210 nan 0.000 0.468 61 D N 1.971 122.358 120.400 -0.021 0.000 2.178 61 D HA -0.140 4.497 4.640 -0.006 0.000 0.202 61 D C 1.582 177.853 176.300 -0.048 0.000 0.974 61 D CA 1.292 55.283 54.000 -0.015 0.000 0.841 61 D CB -0.075 40.731 40.800 0.009 0.000 0.953 61 D HN 0.504 nan 8.370 nan 0.000 0.478 62 D N -1.699 118.650 120.400 -0.085 0.000 2.422 62 D HA 0.035 4.672 4.640 -0.006 0.000 0.218 62 D C -0.024 175.994 176.300 -0.471 0.000 1.047 62 D CA 0.311 54.152 54.000 -0.264 0.000 0.885 62 D CB 0.606 41.253 40.800 -0.256 0.000 1.035 62 D HN 0.222 nan 8.370 nan 0.000 0.502 63 Y N 0.306 120.571 120.300 -0.057 0.000 2.536 63 Y HA 0.356 4.902 4.550 -0.006 0.000 0.347 63 Y C 0.152 176.059 175.900 0.012 0.000 1.000 63 Y CA -1.158 56.932 58.100 -0.017 0.000 1.051 63 Y CB 1.883 40.295 38.460 -0.080 0.000 1.259 63 Y HN -0.446 nan 8.280 nan 0.000 0.468 64 K N 1.728 122.281 120.400 0.255 0.000 2.253 64 K HA 0.595 4.911 4.320 -0.006 0.000 0.277 64 K C -1.636 175.096 176.600 0.221 0.000 1.053 64 K CA -0.404 56.008 56.287 0.208 0.000 0.892 64 K CB 0.676 33.312 32.500 0.228 0.000 1.102 64 K HN 0.522 nan 8.250 nan 0.000 0.469 65 V N 5.242 125.230 119.914 0.123 0.000 2.318 65 V HA 0.133 4.250 4.120 -0.006 0.000 0.271 65 V C 0.586 176.730 176.094 0.082 0.000 1.030 65 V CA -0.690 61.649 62.300 0.065 0.000 0.844 65 V CB 0.588 32.403 31.823 -0.013 0.000 1.015 65 V HN 0.996 nan 8.190 nan 0.000 0.460 66 T N 1.609 116.232 114.554 0.115 0.000 2.788 66 T HA 0.257 4.603 4.350 -0.006 0.000 0.280 66 T C 0.864 175.594 174.700 0.051 0.000 0.984 66 T CA 0.106 62.275 62.100 0.115 0.000 0.972 66 T CB 1.425 70.410 68.868 0.195 0.000 1.039 66 T HN 0.723 nan 8.240 nan 0.000 0.530 67 S N -0.833 114.898 115.700 0.051 0.000 2.651 67 S HA 0.193 4.660 4.470 -0.006 0.000 0.246 67 S C 0.324 174.944 174.600 0.033 0.000 1.039 67 S CA -0.697 57.520 58.200 0.029 0.000 1.013 67 S CB -0.391 62.826 63.200 0.029 0.000 0.861 67 S HN 0.842 nan 8.310 nan 0.000 0.485 68 Q N 2.019 121.844 119.800 0.042 0.000 2.281 68 Q HA 0.280 4.617 4.340 -0.006 0.000 0.267 68 Q C -0.838 175.175 176.000 0.021 0.000 1.053 68 Q CA -0.198 55.628 55.803 0.039 0.000 0.905 68 Q CB 0.682 29.454 28.738 0.056 0.000 1.195 68 Q HN 0.331 nan 8.270 nan 0.000 0.398 69 V N 6.842 126.770 119.914 0.023 0.000 2.508 69 V HA -0.024 4.092 4.120 -0.006 0.000 0.281 69 V C 1.026 177.132 176.094 0.020 0.000 1.041 69 V CA 0.380 62.691 62.300 0.019 0.000 1.016 69 V CB 0.986 32.823 31.823 0.024 0.000 0.984 69 V HN 0.878 nan 8.190 nan 0.000 0.478 70 L N 4.300 125.531 121.223 0.014 0.000 2.616 70 L HA 0.522 4.858 4.340 -0.006 0.000 0.229 70 L C 0.875 177.763 176.870 0.030 0.000 1.110 70 L CA 0.538 55.388 54.840 0.018 0.000 0.884 70 L CB 0.387 42.448 42.059 0.004 0.000 1.115 70 L HN 0.856 nan 8.230 nan 0.000 0.481 71 G N -0.116 108.703 108.800 0.032 0.000 2.361 71 G HA2 0.353 4.309 3.960 -0.006 0.000 0.299 71 G HA3 0.353 4.309 3.960 -0.006 0.000 0.299 71 G C -2.101 172.823 174.900 0.041 0.000 1.544 71 G CA -0.759 44.365 45.100 0.040 0.000 0.860 71 G HN -0.177 nan 8.290 nan 0.000 0.610 72 L N 1.633 122.882 121.223 0.044 0.000 2.280 72 L HA 0.666 5.002 4.340 -0.006 0.000 0.287 72 L C 1.132 178.037 176.870 0.057 0.000 1.023 72 L CA 0.103 54.971 54.840 0.046 0.000 0.819 72 L CB 1.498 43.582 42.059 0.041 0.000 1.212 72 L HN 0.872 nan 8.230 nan 0.000 0.420 73 G N 1.990 110.829 108.800 0.065 0.000 2.547 73 G HA2 0.361 4.317 3.960 -0.006 0.000 0.291 73 G HA3 0.361 4.317 3.960 -0.006 0.000 0.291 73 G C 0.986 175.943 174.900 0.095 0.000 1.211 73 G CA -0.294 44.857 45.100 0.086 0.000 0.950 73 G HN 0.760 nan 8.290 nan 0.000 0.504 74 I N -1.643 119.004 120.570 0.129 0.000 2.361 74 I HA -0.018 4.148 4.170 -0.006 0.000 0.251 74 I C 0.849 177.025 176.117 0.098 0.000 1.133 74 I CA 1.274 62.672 61.300 0.164 0.000 1.413 74 I CB -0.210 37.988 38.000 0.330 0.000 1.073 74 I HN 0.532 nan 8.210 nan 0.000 0.424 75 N N 0.459 119.202 118.700 0.071 0.000 2.733 75 N HA 0.544 5.280 4.740 -0.006 0.000 0.271 75 N C -0.161 175.376 175.510 0.045 0.000 1.720 75 N CA -0.174 52.902 53.050 0.042 0.000 0.803 75 N CB 0.963 39.458 38.487 0.013 0.000 1.208 75 N HN 0.535 nan 8.380 nan 0.000 0.498 76 G N 1.716 110.545 108.800 0.047 0.000 2.627 76 G HA2 -0.125 3.832 3.960 -0.006 0.000 0.680 76 G HA3 -0.125 3.832 3.960 -0.006 0.000 0.680 76 G C -1.077 173.848 174.900 0.041 0.000 1.341 76 G CA -1.183 43.941 45.100 0.040 0.000 0.835 76 G HN 0.506 nan 8.290 nan 0.000 0.643 77 K N -0.250 120.168 120.400 0.031 0.000 2.102 77 K HA 0.762 5.078 4.320 -0.006 0.000 0.244 77 K C -0.202 176.408 176.600 0.017 0.000 1.021 77 K CA -0.894 55.410 56.287 0.028 0.000 0.913 77 K CB 1.684 34.199 32.500 0.024 0.000 1.062 77 K HN 0.442 nan 8.250 nan 0.000 0.485 78 V N 2.422 122.347 119.914 0.019 0.000 2.417 78 V HA 0.331 4.448 4.120 -0.006 0.000 0.291 78 V C -0.295 175.795 176.094 -0.007 0.000 1.024 78 V CA -0.855 61.450 62.300 0.009 0.000 0.861 78 V CB 0.885 32.724 31.823 0.027 0.000 0.985 78 V HN 0.575 nan 8.190 nan 0.000 0.436 79 L N 3.280 124.485 121.223 -0.031 0.000 2.330 79 L HA 0.609 4.945 4.340 -0.006 0.000 0.271 79 L C -0.169 176.659 176.870 -0.069 0.000 1.013 79 L CA -0.840 53.976 54.840 -0.041 0.000 0.816 79 L CB 1.852 43.881 42.059 -0.050 0.000 1.287 79 L HN 0.580 nan 8.230 nan 0.000 0.435 80 Q N 2.902 122.654 119.800 -0.079 0.000 2.304 80 Q HA 0.572 4.908 4.340 -0.006 0.000 0.260 80 Q C -0.955 174.904 176.000 -0.235 0.000 0.965 80 Q CA 0.045 55.745 55.803 -0.172 0.000 0.898 80 Q CB 0.937 29.585 28.738 -0.150 0.000 1.196 80 Q HN 0.494 nan 8.270 nan 0.000 0.402 81 I N -0.512 119.847 120.570 -0.352 0.000 2.969 81 I HA 0.676 4.843 4.170 -0.006 0.000 0.307 81 I C -1.398 174.486 176.117 -0.389 0.000 1.149 81 I CA -1.259 59.895 61.300 -0.244 0.000 1.008 81 I CB 1.905 39.844 38.000 -0.102 0.000 1.232 81 I HN 0.452 nan 8.210 nan 0.000 0.435 82 F N 1.464 121.559 119.950 0.240 0.000 2.520 82 F HA 0.408 4.932 4.527 -0.006 0.000 0.322 82 F C 0.222 176.234 175.800 0.355 0.000 1.103 82 F CA -0.581 57.584 58.000 0.274 0.000 0.926 82 F CB 1.750 40.836 39.000 0.143 0.000 1.154 82 F HN 0.551 nan 8.300 nan 0.000 0.453 83 N N 2.884 121.925 118.700 0.569 0.000 2.427 83 N HA 0.016 4.752 4.740 -0.006 0.000 0.269 83 N C 1.112 176.694 175.510 0.121 0.000 1.235 83 N CA 0.062 53.260 53.050 0.246 0.000 0.934 83 N CB 0.629 39.312 38.487 0.326 0.000 1.121 83 N HN 0.610 nan 8.380 nan 0.000 0.480 84 K N 2.450 122.841 120.400 -0.014 0.000 2.044 84 K HA -0.213 4.103 4.320 -0.006 0.000 0.210 84 K C 1.769 178.369 176.600 0.001 0.000 1.049 84 K CA 1.313 57.603 56.287 0.005 0.000 0.927 84 K CB 0.052 32.531 32.500 -0.036 0.000 0.713 84 K HN 0.553 nan 8.250 nan 0.000 0.443 85 R N -0.471 120.009 120.500 -0.032 0.000 2.062 85 R HA -0.073 4.263 4.340 -0.006 0.000 0.229 85 R C 2.102 178.416 176.300 0.023 0.000 1.128 85 R CA 1.471 57.563 56.100 -0.013 0.000 0.960 85 R CB -0.211 30.069 30.300 -0.032 0.000 0.855 85 R HN 0.116 nan 8.270 nan 0.000 0.432 86 T N -0.408 114.179 114.554 0.054 0.000 3.065 86 T HA 0.009 4.356 4.350 -0.006 0.000 0.252 86 T C 0.344 175.109 174.700 0.107 0.000 1.099 86 T CA 0.190 62.343 62.100 0.088 0.000 1.063 86 T CB 0.252 69.194 68.868 0.124 0.000 0.948 86 T HN 0.212 nan 8.240 nan 0.000 0.506 87 Q N 0.056 119.934 119.800 0.130 0.000 2.261 87 Q HA -0.163 4.174 4.340 -0.006 0.000 0.155 87 Q C 0.187 176.329 176.000 0.238 0.000 0.598 87 Q CA 1.265 57.153 55.803 0.140 0.000 1.376 87 Q CB -1.311 27.463 28.738 0.060 0.000 1.356 87 Q HN 0.735 nan 8.270 nan 0.000 0.947 88 E N 1.734 122.065 120.200 0.218 0.000 2.418 88 E HA 0.104 4.450 4.350 -0.006 0.000 0.261 88 E C 0.165 176.837 176.600 0.120 0.000 1.070 88 E CA 0.161 56.638 56.400 0.129 0.000 0.931 88 E CB 0.507 30.241 29.700 0.056 0.000 0.954 88 E HN 0.171 nan 8.360 nan 0.000 0.439 89 K N 2.503 122.817 120.400 -0.144 0.000 2.130 89 K HA 0.414 4.730 4.320 -0.006 0.000 0.268 89 K C -0.949 175.277 176.600 -0.624 0.000 0.983 89 K CA -0.446 55.657 56.287 -0.307 0.000 0.893 89 K CB 1.002 33.355 32.500 -0.245 0.000 1.066 89 K HN 0.227 nan 8.250 nan 0.000 0.450 90 F N -0.093 119.749 119.950 -0.179 0.000 2.675 90 F HA 0.577 5.101 4.527 -0.006 0.000 0.324 90 F C -0.706 174.985 175.800 -0.183 0.000 1.106 90 F CA -1.149 56.777 58.000 -0.124 0.000 0.970 90 F CB 2.192 41.144 39.000 -0.081 0.000 1.385 90 F HN 0.703 nan 8.300 nan 0.000 0.489 91 A N 1.419 124.291 122.820 0.087 0.000 2.342 91 A HA 0.787 5.103 4.320 -0.006 0.000 0.323 91 A C -1.976 175.582 177.584 -0.043 0.000 1.125 91 A CA -0.577 51.456 52.037 -0.008 0.000 0.785 91 A CB 1.405 20.414 19.000 0.015 0.000 1.221 91 A HN 0.682 nan 8.150 nan 0.000 0.463 92 L N 1.845 123.019 121.223 -0.082 0.000 2.325 92 L HA 0.594 4.930 4.340 -0.006 0.000 0.281 92 L C -0.181 176.651 176.870 -0.063 0.000 1.004 92 L CA -0.241 54.533 54.840 -0.111 0.000 0.823 92 L CB 1.360 43.318 42.059 -0.169 0.000 1.236 92 L HN 0.681 nan 8.230 nan 0.000 0.415 93 K N 5.855 126.230 120.400 -0.041 0.000 2.206 93 K HA 0.507 4.823 4.320 -0.006 0.000 0.264 93 K C -1.130 175.454 176.600 -0.027 0.000 0.967 93 K CA -0.565 55.716 56.287 -0.011 0.000 0.844 93 K CB 1.103 33.623 32.500 0.033 0.000 1.099 93 K HN 0.703 nan 8.250 nan 0.000 0.441 94 M N 6.185 125.768 119.600 -0.028 0.000 2.129 94 M HA 0.333 4.810 4.480 -0.006 0.000 0.348 94 M C -1.105 175.195 176.300 -0.001 0.000 1.116 94 M CA -0.661 54.616 55.300 -0.038 0.000 1.022 94 M CB 0.899 33.455 32.600 -0.073 0.000 1.599 94 M HN 0.478 nan 8.290 nan 0.000 0.449 95 L N 2.466 123.694 121.223 0.008 0.000 2.370 95 L HA 0.482 4.818 4.340 -0.006 0.000 0.266 95 L C -0.185 176.705 176.870 0.032 0.000 1.002 95 L CA -0.796 54.058 54.840 0.024 0.000 0.818 95 L CB 2.209 44.283 42.059 0.025 0.000 1.325 95 L HN 0.595 nan 8.230 nan 0.000 0.418 96 Q N 1.935 121.758 119.800 0.037 0.000 2.279 96 Q HA 0.077 4.414 4.340 -0.006 0.000 0.256 96 Q C -0.825 175.191 176.000 0.027 0.000 0.937 96 Q CA -0.607 55.221 55.803 0.043 0.000 0.933 96 Q CB 1.315 30.080 28.738 0.045 0.000 1.189 96 Q HN 0.446 nan 8.270 nan 0.000 0.417 97 D N 2.766 123.182 120.400 0.026 0.000 2.533 97 D HA 0.041 4.677 4.640 -0.006 0.000 0.236 97 D C -0.549 175.755 176.300 0.008 0.000 1.137 97 D CA 0.441 54.449 54.000 0.015 0.000 0.867 97 D CB 0.103 40.912 40.800 0.014 0.000 1.170 97 D HN 0.661 nan 8.370 nan 0.000 0.474 98 C N 2.502 121.803 119.300 0.002 0.000 3.167 98 C HA 0.409 4.865 4.460 -0.006 0.000 0.348 98 C C -1.992 172.994 174.990 -0.006 0.000 1.394 98 C CA -0.866 58.150 59.018 -0.003 0.000 1.204 98 C CB 0.914 28.651 27.740 -0.005 0.000 1.467 98 C HN 0.365 nan 8.230 nan 0.000 0.446 99 P HA -0.119 nan 4.420 nan 0.000 0.216 99 P C 1.390 178.683 177.300 -0.012 0.000 1.150 99 P CA 1.899 64.993 63.100 -0.011 0.000 0.837 99 P CB 0.031 31.723 31.700 -0.013 0.000 0.786 100 K N -0.096 120.292 120.400 -0.020 0.000 2.009 100 K HA -0.121 4.195 4.320 -0.006 0.000 0.210 100 K C 2.317 178.911 176.600 -0.011 0.000 1.049 100 K CA 1.774 58.044 56.287 -0.028 0.000 0.929 100 K CB -0.655 31.817 32.500 -0.046 0.000 0.714 100 K HN 0.020 nan 8.250 nan 0.000 0.440 101 A N 1.471 124.289 122.820 -0.003 0.000 1.933 101 A HA -0.152 4.164 4.320 -0.006 0.000 0.218 101 A C 2.024 179.617 177.584 0.015 0.000 1.175 101 A CA 1.164 53.208 52.037 0.011 0.000 0.628 101 A CB -0.333 18.674 19.000 0.011 0.000 0.814 101 A HN 0.166 nan 8.150 nan 0.000 0.444 102 R N -0.558 119.945 120.500 0.006 0.000 2.105 102 R HA -0.106 4.231 4.340 -0.006 0.000 0.239 102 R C 2.302 178.611 176.300 0.015 0.000 1.135 102 R CA 1.528 57.630 56.100 0.002 0.000 0.967 102 R CB -0.572 29.725 30.300 -0.004 0.000 0.861 102 R HN 0.627 nan 8.270 nan 0.000 0.442 103 R N 0.804 121.317 120.500 0.020 0.000 2.073 103 R HA -0.106 4.230 4.340 -0.006 0.000 0.229 103 R C 2.101 178.441 176.300 0.067 0.000 1.120 103 R CA 1.369 57.491 56.100 0.036 0.000 0.967 103 R CB -0.077 30.238 30.300 0.026 0.000 0.862 103 R HN 0.266 nan 8.270 nan 0.000 0.436 104 E N -0.075 120.170 120.200 0.075 0.000 2.049 104 E HA -0.207 4.139 4.350 -0.006 0.000 0.198 104 E C 1.825 178.502 176.600 0.129 0.000 1.007 104 E CA 2.080 58.560 56.400 0.134 0.000 0.809 104 E CB 0.014 29.793 29.700 0.132 0.000 0.749 104 E HN 0.166 nan 8.360 nan 0.000 0.450 105 V N 1.472 121.434 119.914 0.079 0.000 2.343 105 V HA -0.230 3.886 4.120 -0.006 0.000 0.247 105 V C 2.513 178.656 176.094 0.082 0.000 1.051 105 V CA 2.006 64.337 62.300 0.051 0.000 1.036 105 V CB -0.596 31.225 31.823 -0.004 0.000 0.654 105 V HN 0.319 nan 8.190 nan 0.000 0.451 106 E N 0.186 120.428 120.200 0.070 0.000 2.031 106 E HA -0.173 4.173 4.350 -0.006 0.000 0.193 106 E C 2.244 178.920 176.600 0.127 0.000 0.994 106 E CA 1.476 57.933 56.400 0.095 0.000 0.800 106 E CB -0.237 29.499 29.700 0.060 0.000 0.752 106 E HN 0.536 nan 8.360 nan 0.000 0.447 107 L N -0.430 120.846 121.223 0.087 0.000 2.017 107 L HA -0.204 4.132 4.340 -0.006 0.000 0.208 107 L C 2.691 179.487 176.870 -0.123 0.000 1.073 107 L CA 1.542 56.415 54.840 0.055 0.000 0.745 107 L CB -0.676 41.464 42.059 0.135 0.000 0.894 107 L HN 0.308 nan 8.230 nan 0.000 0.432 108 H N -0.802 118.010 119.070 -0.429 0.000 2.352 108 H HA -0.296 4.256 4.556 -0.006 0.000 0.299 108 H C 2.222 177.341 175.328 -0.349 0.000 1.097 108 H CA 1.908 57.438 56.048 -0.863 0.000 1.311 108 H CB -0.093 29.337 29.762 -0.554 0.000 1.377 108 H HN 0.450 nan 8.280 nan 0.000 0.504 109 W N 1.837 123.089 121.300 -0.081 0.000 2.338 109 W HA -0.228 4.429 4.660 -0.006 0.000 0.304 109 W C 2.129 178.641 176.519 -0.011 0.000 1.212 109 W CA 1.412 58.722 57.345 -0.059 0.000 1.264 109 W CB -0.242 29.180 29.460 -0.064 0.000 1.142 109 W HN 0.201 nan 8.180 nan 0.000 0.512 110 R N 0.395 120.875 120.500 -0.034 0.000 2.115 110 R HA -0.078 4.258 4.340 -0.006 0.000 0.230 110 R C 2.403 178.686 176.300 -0.028 0.000 1.111 110 R CA 1.800 57.862 56.100 -0.064 0.000 0.976 110 R CB -0.572 29.755 30.300 0.045 0.000 0.870 110 R HN 0.111 nan 8.270 nan 0.000 0.445 111 A N -1.099 121.709 122.820 -0.020 0.000 2.218 111 A HA 0.034 4.350 4.320 -0.006 0.000 0.209 111 A C 1.804 179.396 177.584 0.014 0.000 1.168 111 A CA 0.692 52.819 52.037 0.150 0.000 0.804 111 A CB -0.134 18.948 19.000 0.137 0.000 0.834 111 A HN 0.292 nan 8.150 nan 0.000 0.482 112 S N -0.226 115.392 115.700 -0.137 0.000 2.447 112 S HA -0.193 4.274 4.470 -0.006 0.000 0.233 112 S C 1.945 176.415 174.600 -0.218 0.000 1.006 112 S CA 1.489 59.602 58.200 -0.146 0.000 0.957 112 S CB -0.355 62.695 63.200 -0.250 0.000 0.773 112 S HN 0.706 nan 8.310 nan 0.000 0.507 113 Q N 0.110 119.745 119.800 -0.276 0.000 2.084 113 Q HA -0.067 4.269 4.340 -0.006 0.000 0.202 113 Q C 1.437 177.231 176.000 -0.342 0.000 0.978 113 Q CA 0.859 56.498 55.803 -0.273 0.000 0.844 113 Q CB -0.604 28.011 28.738 -0.205 0.000 0.898 113 Q HN 0.657 nan 8.270 nan 0.000 0.426 114 C N 2.682 121.649 119.300 -0.554 0.000 2.538 114 C HA -0.005 4.451 4.460 -0.006 0.000 0.408 114 C C -1.066 173.760 174.990 -0.273 0.000 1.421 114 C CA -1.383 57.278 59.018 -0.595 0.000 1.642 114 C CB 0.346 27.678 27.740 -0.681 0.000 2.553 114 C HN 0.326 nan 8.230 nan 0.000 0.604 115 P HA -0.096 nan 4.420 nan 0.000 0.221 115 P C 0.716 177.800 177.300 -0.359 0.000 1.145 115 P CA 1.628 64.562 63.100 -0.277 0.000 0.795 115 P CB -0.158 31.350 31.700 -0.319 0.000 0.775 116 H N -1.662 117.362 119.070 -0.077 0.000 2.505 116 H HA 0.348 4.900 4.556 -0.006 0.000 0.286 116 H C 0.460 175.771 175.328 -0.028 0.000 1.072 116 H CA -0.178 55.840 56.048 -0.051 0.000 1.141 116 H CB 0.358 30.090 29.762 -0.050 0.000 1.550 116 H HN 0.203 nan 8.280 nan 0.000 0.547 117 I N 0.874 121.476 120.570 0.054 0.000 2.465 117 I HA 0.069 4.236 4.170 -0.006 0.000 0.291 117 I C 0.149 176.330 176.117 0.107 0.000 1.014 117 I CA -0.920 60.444 61.300 0.107 0.000 1.093 117 I CB 3.261 41.353 38.000 0.153 0.000 1.267 117 I HN -0.185 nan 8.210 nan 0.000 0.431 118 V N 7.315 127.329 119.914 0.167 0.000 2.584 118 V HA -0.007 4.109 4.120 -0.006 0.000 0.303 118 V C 0.529 176.768 176.094 0.242 0.000 1.035 118 V CA 0.418 62.834 62.300 0.193 0.000 1.172 118 V CB 0.399 32.359 31.823 0.229 0.000 0.896 118 V HN 0.709 nan 8.190 nan 0.000 0.486 119 R N 6.039 126.621 120.500 0.137 0.000 2.265 119 R HA 0.400 4.736 4.340 -0.006 0.000 0.314 119 R C -0.242 176.113 176.300 0.092 0.000 1.053 119 R CA -0.554 55.601 56.100 0.092 0.000 0.931 119 R CB 0.556 30.887 30.300 0.051 0.000 1.024 119 R HN 0.790 nan 8.270 nan 0.000 0.457 120 I N 5.238 125.838 120.570 0.049 0.000 2.452 120 I HA -0.069 4.098 4.170 -0.006 0.000 0.287 120 I C 1.281 177.474 176.117 0.126 0.000 1.079 120 I CA -0.159 61.162 61.300 0.035 0.000 1.387 120 I CB 1.507 39.524 38.000 0.030 0.000 1.404 120 I HN 0.571 nan 8.210 nan 0.000 0.522 121 V N 5.100 125.056 119.914 0.070 0.000 2.446 121 V HA 0.003 4.120 4.120 -0.006 0.000 0.244 121 V C 0.315 176.422 176.094 0.022 0.000 1.039 121 V CA 1.502 63.832 62.300 0.050 0.000 1.045 121 V CB -0.356 31.434 31.823 -0.054 0.000 0.681 121 V HN 0.759 nan 8.190 nan 0.000 0.459 122 D N -2.251 118.130 120.400 -0.033 0.000 2.663 122 D HA 0.425 5.062 4.640 -0.006 0.000 0.233 122 D C -1.503 174.710 176.300 -0.144 0.000 1.240 122 D CA -0.126 53.800 54.000 -0.123 0.000 0.774 122 D CB 2.946 43.688 40.800 -0.096 0.000 1.443 122 D HN -0.130 nan 8.370 nan 0.000 0.441 123 V N 2.162 121.910 119.914 -0.275 0.000 2.444 123 V HA 0.427 4.543 4.120 -0.006 0.000 0.294 123 V C -0.952 174.972 176.094 -0.283 0.000 1.022 123 V CA -0.650 61.532 62.300 -0.197 0.000 0.850 123 V CB 1.110 32.808 31.823 -0.208 0.000 0.992 123 V HN 0.412 nan 8.190 nan 0.000 0.426 124 Y N 1.961 122.204 120.300 -0.095 0.000 2.387 124 Y HA 0.525 5.071 4.550 -0.007 0.000 0.330 124 Y C 0.471 176.336 175.900 -0.058 0.000 1.133 124 Y CA -0.612 57.448 58.100 -0.067 0.000 1.152 124 Y CB 1.670 40.099 38.460 -0.051 0.000 1.215 124 Y HN 0.609 nan 8.280 nan 0.000 0.466 125 E N 3.321 123.579 120.200 0.097 0.000 2.141 125 E HA 0.342 4.689 4.350 -0.006 0.000 0.259 125 E C -1.430 175.218 176.600 0.079 0.000 0.883 125 E CA -0.289 56.145 56.400 0.057 0.000 0.744 125 E CB 0.418 30.123 29.700 0.007 0.000 1.150 125 E HN 0.832 nan 8.360 nan 0.000 0.420 126 N N 3.249 121.996 118.700 0.079 0.000 2.469 126 N HA 0.445 5.181 4.740 -0.006 0.000 0.286 126 N C -1.029 174.529 175.510 0.080 0.000 1.275 126 N CA -0.823 52.274 53.050 0.077 0.000 0.790 126 N CB 1.645 40.171 38.487 0.066 0.000 1.446 126 N HN 0.267 nan 8.380 nan 0.000 0.501 127 L N 2.185 123.458 121.223 0.084 0.000 2.264 127 L HA 0.321 4.657 4.340 -0.006 0.000 0.289 127 L C -1.274 175.694 176.870 0.162 0.000 1.044 127 L CA -0.426 54.469 54.840 0.092 0.000 0.807 127 L CB 0.273 42.366 42.059 0.056 0.000 1.192 127 L HN 0.521 nan 8.230 nan 0.000 0.425 128 Y N 3.970 124.271 120.300 0.003 0.000 2.332 128 Y HA 0.513 5.062 4.550 -0.001 0.000 0.326 128 Y C 0.399 176.300 175.900 0.001 0.000 0.978 128 Y CA -1.081 57.019 58.100 0.001 0.000 1.205 128 Y CB 1.441 39.901 38.460 -0.001 0.000 1.131 128 Y HN 0.692 nan 8.280 nan 0.000 0.462 129 A N 4.227 126.796 122.820 -0.418 0.000 2.519 129 A HA 0.005 4.322 4.320 -0.006 0.000 0.297 129 A C 1.582 179.065 177.584 -0.168 0.000 1.472 129 A CA 1.456 53.282 52.037 -0.351 0.000 0.739 129 A CB -2.032 16.645 19.000 -0.537 0.000 1.096 129 A HN 2.453 nan 8.150 nan 0.000 0.414 130 G N -1.125 107.625 108.800 -0.084 0.000 2.280 130 G HA2 -0.325 3.631 3.960 -0.006 0.000 0.282 130 G HA3 -0.325 3.631 3.960 -0.006 0.000 0.282 130 G C 0.283 175.166 174.900 -0.027 0.000 1.000 130 G CA 1.381 46.456 45.100 -0.041 0.000 0.751 130 G HN 1.234 nan 8.290 nan 0.000 0.515 131 R N -0.614 119.874 120.500 -0.021 0.000 2.740 131 R HA 0.449 4.786 4.340 -0.006 0.000 0.282 131 R C 0.271 176.597 176.300 0.043 0.000 0.969 131 R CA -0.972 55.133 56.100 0.008 0.000 0.918 131 R CB 1.384 31.686 30.300 0.002 0.000 1.175 131 R HN 0.133 nan 8.270 nan 0.000 0.464 132 K N 0.904 121.326 120.400 0.036 0.000 2.355 132 K HA 0.170 4.486 4.320 -0.006 0.000 0.270 132 K C -0.770 175.865 176.600 0.059 0.000 1.003 132 K CA 0.200 56.513 56.287 0.044 0.000 0.957 132 K CB 0.646 33.161 32.500 0.025 0.000 0.939 132 K HN 0.444 nan 8.250 nan 0.000 0.482 133 C N 3.485 122.821 119.300 0.061 0.000 2.551 133 C HA 0.306 4.762 4.460 -0.006 0.000 0.332 133 C C -1.137 173.876 174.990 0.038 0.000 1.139 133 C CA -1.058 57.996 59.018 0.059 0.000 1.328 133 C CB 0.843 28.631 27.740 0.079 0.000 1.903 133 C HN 0.555 nan 8.230 nan 0.000 0.459 134 L N 4.783 126.021 121.223 0.025 0.000 2.265 134 L HA 0.538 4.874 4.340 -0.006 0.000 0.288 134 L C -0.181 176.696 176.870 0.011 0.000 1.058 134 L CA 0.312 55.161 54.840 0.015 0.000 0.809 134 L CB 0.640 42.700 42.059 0.002 0.000 1.179 134 L HN 0.558 nan 8.230 nan 0.000 0.429 135 L N 5.618 126.857 121.223 0.028 0.000 2.305 135 L HA 0.555 4.892 4.340 -0.006 0.000 0.284 135 L C -0.185 176.699 176.870 0.022 0.000 1.013 135 L CA -0.371 54.471 54.840 0.004 0.000 0.819 135 L CB 1.787 43.830 42.059 -0.027 0.000 1.227 135 L HN 0.397 nan 8.230 nan 0.000 0.417 136 I N 3.791 124.348 120.570 -0.021 0.000 2.339 136 I HA 0.314 4.481 4.170 -0.006 0.000 0.290 136 I C -0.261 175.815 176.117 -0.067 0.000 0.994 136 I CA -0.767 60.509 61.300 -0.040 0.000 1.191 136 I CB 1.959 39.925 38.000 -0.057 0.000 1.343 136 I HN 0.230 nan 8.210 nan 0.000 0.458 137 V N 7.649 127.515 119.914 -0.081 0.000 2.383 137 V HA 0.445 4.561 4.120 -0.006 0.000 0.275 137 V C 0.290 176.343 176.094 -0.069 0.000 1.036 137 V CA -0.374 61.833 62.300 -0.155 0.000 0.889 137 V CB 1.117 32.750 31.823 -0.315 0.000 0.985 137 V HN 0.702 nan 8.190 nan 0.000 0.459 138 M N 2.871 122.475 119.600 0.007 0.000 2.644 138 M HA 0.693 5.169 4.480 -0.006 0.000 0.304 138 M C -0.164 176.269 176.300 0.222 0.000 1.215 138 M CA -0.885 54.470 55.300 0.091 0.000 0.871 138 M CB 1.992 34.637 32.600 0.076 0.000 1.740 138 M HN 0.703 nan 8.290 nan 0.000 0.464 139 E N 0.323 120.665 120.200 0.237 0.000 2.459 139 E HA 0.101 4.447 4.350 -0.006 0.000 0.264 139 E C -1.008 175.653 176.600 0.102 0.000 1.055 139 E CA -0.555 55.982 56.400 0.229 0.000 0.957 139 E CB 0.781 30.567 29.700 0.142 0.000 0.952 139 E HN 0.663 nan 8.360 nan 0.000 0.448 140 C N 4.134 123.422 119.300 -0.020 0.000 2.373 140 C HA 0.266 4.722 4.460 -0.006 0.000 0.354 140 C C 0.243 175.222 174.990 -0.019 0.000 1.249 140 C CA -0.565 58.423 59.018 -0.051 0.000 1.784 140 C CB -1.458 26.189 27.740 -0.156 0.000 2.408 140 C HN 0.643 nan 8.230 nan 0.000 0.542 141 L N 6.473 127.704 121.223 0.013 0.000 2.556 141 L HA 0.270 4.606 4.340 -0.006 0.000 0.245 141 L C 0.627 177.519 176.870 0.037 0.000 1.174 141 L CA -0.065 54.794 54.840 0.033 0.000 1.117 141 L CB 0.024 42.109 42.059 0.044 0.000 1.409 141 L HN 0.746 nan 8.230 nan 0.000 0.411 142 D N -0.877 119.537 120.400 0.024 0.000 2.328 142 D HA -0.038 4.599 4.640 -0.006 0.000 0.226 142 D C 1.808 178.135 176.300 0.045 0.000 1.066 142 D CA 0.171 54.186 54.000 0.025 0.000 0.861 142 D CB 0.325 41.129 40.800 0.006 0.000 0.912 142 D HN 0.364 nan 8.370 nan 0.000 0.521 143 G N -0.148 108.697 108.800 0.076 0.000 2.559 143 G HA2 0.286 4.243 3.960 -0.006 0.000 0.216 143 G HA3 0.286 4.243 3.960 -0.006 0.000 0.216 143 G C 1.021 175.997 174.900 0.127 0.000 1.126 143 G CA 0.097 45.258 45.100 0.103 0.000 0.778 143 G HN 0.738 nan 8.290 nan 0.000 0.543 144 G N -0.461 108.407 108.800 0.113 0.000 2.725 144 G HA2 -0.172 3.784 3.960 -0.006 0.000 0.220 144 G HA3 -0.172 3.784 3.960 -0.006 0.000 0.220 144 G C -0.287 174.684 174.900 0.117 0.000 1.357 144 G CA -0.302 44.859 45.100 0.101 0.000 0.866 144 G HN 0.481 nan 8.290 nan 0.000 0.548 145 E N -0.562 119.696 120.200 0.096 0.000 2.408 145 E HA 0.313 4.659 4.350 -0.006 0.000 0.259 145 E C 1.604 178.243 176.600 0.065 0.000 1.110 145 E CA -0.122 56.319 56.400 0.067 0.000 0.929 145 E CB 1.044 30.805 29.700 0.103 0.000 0.971 145 E HN 0.616 nan 8.360 nan 0.000 0.438 146 L N 1.452 122.621 121.223 -0.090 0.000 2.017 146 L HA -0.163 4.173 4.340 -0.006 0.000 0.208 146 L C 1.605 178.369 176.870 -0.176 0.000 1.073 146 L CA 1.804 56.525 54.840 -0.198 0.000 0.745 146 L CB -0.258 41.474 42.059 -0.546 0.000 0.894 146 L HN 0.588 nan 8.230 nan 0.000 0.432 147 F N -1.125 118.877 119.950 0.088 0.000 2.748 147 F HA -0.016 4.507 4.527 -0.007 0.000 0.299 147 F C 2.274 178.083 175.800 0.015 0.000 1.154 147 F CA 0.538 58.565 58.000 0.045 0.000 1.446 147 F CB -0.223 38.855 39.000 0.129 0.000 1.112 147 F HN 0.057 nan 8.300 nan 0.000 0.584 148 S N -0.291 115.518 115.700 0.182 0.000 2.395 148 S HA -0.050 4.416 4.470 -0.006 0.000 0.225 148 S C 2.120 176.750 174.600 0.050 0.000 1.027 148 S CA 0.477 58.744 58.200 0.112 0.000 0.965 148 S CB -0.099 63.168 63.200 0.112 0.000 0.812 148 S HN 0.272 nan 8.310 nan 0.000 0.482 149 R N 0.842 121.369 120.500 0.046 0.000 2.092 149 R HA 0.051 4.387 4.340 -0.006 0.000 0.231 149 R C 1.949 178.201 176.300 -0.080 0.000 1.119 149 R CA 0.859 56.944 56.100 -0.025 0.000 0.970 149 R CB -0.468 29.801 30.300 -0.051 0.000 0.864 149 R HN 0.366 nan 8.270 nan 0.000 0.440 150 I N 0.774 121.284 120.570 -0.101 0.000 2.252 150 I HA -0.219 3.948 4.170 -0.006 0.000 0.245 150 I C 2.285 178.302 176.117 -0.167 0.000 1.102 150 I CA 1.162 62.310 61.300 -0.253 0.000 1.385 150 I CB -1.121 36.673 38.000 -0.344 0.000 1.064 150 I HN 0.216 nan 8.210 nan 0.000 0.414 151 Q N 0.510 120.261 119.800 -0.082 0.000 2.500 151 Q HA -0.169 4.168 4.340 -0.006 0.000 0.213 151 Q C -0.458 175.507 176.000 -0.057 0.000 0.974 151 Q CA 0.811 56.570 55.803 -0.073 0.000 0.918 151 Q CB 0.091 28.800 28.738 -0.047 0.000 0.980 151 Q HN 0.388 nan 8.270 nan 0.000 0.505 152 D N 0.016 120.383 120.400 -0.055 0.000 2.634 152 D HA 0.262 4.898 4.640 -0.006 0.000 0.318 152 D C -0.552 175.724 176.300 -0.041 0.000 1.226 152 D CA -0.105 53.871 54.000 -0.040 0.000 0.899 152 D CB 0.654 41.436 40.800 -0.030 0.000 1.025 152 D HN 0.082 nan 8.370 nan 0.000 0.501 153 R N -0.760 119.718 120.500 -0.037 0.000 2.936 153 R HA 0.825 5.161 4.340 -0.006 0.000 0.095 153 R C 0.871 177.158 176.300 -0.021 0.000 0.565 153 R CA -0.417 55.668 56.100 -0.025 0.000 0.363 153 R CB 0.165 30.456 30.300 -0.016 0.000 0.398 153 R HN 0.182 nan 8.270 nan 0.000 0.321 154 G N 0.911 109.701 108.800 -0.015 0.000 2.134 154 G HA2 -0.256 3.700 3.960 -0.006 0.000 0.225 154 G HA3 -0.256 3.700 3.960 -0.006 0.000 0.225 154 G C -1.219 173.672 174.900 -0.015 0.000 1.944 154 G CA -0.062 45.028 45.100 -0.018 0.000 1.512 154 G HN 0.729 nan 8.290 nan 0.000 0.493 155 D N 1.954 122.345 120.400 -0.015 0.000 2.426 155 D HA 0.408 5.044 4.640 -0.006 0.000 0.261 155 D C 0.379 176.674 176.300 -0.008 0.000 1.245 155 D CA 1.290 55.282 54.000 -0.013 0.000 0.917 155 D CB -0.019 40.773 40.800 -0.013 0.000 1.123 155 D HN 0.820 nan 8.370 nan 0.000 0.508 156 Q N 0.634 120.432 119.800 -0.004 0.000 2.265 156 Q HA -0.090 4.246 4.340 -0.006 0.000 0.279 156 Q C -0.531 175.487 176.000 0.030 0.000 1.253 156 Q CA 0.263 56.071 55.803 0.009 0.000 0.610 156 Q CB -1.748 26.994 28.738 0.006 0.000 1.010 156 Q HN 0.833 nan 8.270 nan 0.000 0.352 157 A N 0.509 123.345 122.820 0.026 0.000 2.492 157 A HA 0.389 4.705 4.320 -0.006 0.000 0.236 157 A C -0.224 177.436 177.584 0.127 0.000 1.078 157 A CA 0.229 52.298 52.037 0.053 0.000 0.773 157 A CB 0.256 19.261 19.000 0.008 0.000 1.023 157 A HN 0.445 nan 8.150 nan 0.000 0.504 158 F N 1.176 121.104 119.950 -0.037 0.000 2.396 158 F HA 0.482 5.005 4.527 -0.006 0.000 0.343 158 F C 1.012 176.796 175.800 -0.026 0.000 1.104 158 F CA 0.212 58.197 58.000 -0.025 0.000 1.161 158 F CB 1.182 40.173 39.000 -0.014 0.000 1.146 158 F HN 0.753 nan 8.300 nan 0.000 0.522 159 T N 0.979 115.251 114.554 -0.470 0.000 2.932 159 T HA 0.227 4.573 4.350 -0.006 0.000 0.289 159 T C 0.702 175.101 174.700 -0.501 0.000 1.039 159 T CA -0.751 61.126 62.100 -0.373 0.000 1.024 159 T CB 1.743 70.487 68.868 -0.207 0.000 1.090 159 T HN 0.820 nan 8.240 nan 0.000 0.496 160 E N 0.430 120.473 120.200 -0.261 0.000 2.160 160 E HA -0.225 4.121 4.350 -0.006 0.000 0.195 160 E C 2.140 178.642 176.600 -0.163 0.000 0.991 160 E CA 0.991 57.313 56.400 -0.129 0.000 0.810 160 E CB -0.003 29.712 29.700 0.024 0.000 0.742 160 E HN 0.690 nan 8.360 nan 0.000 0.466 161 R N 0.552 120.923 120.500 -0.214 0.000 2.092 161 R HA -0.153 4.183 4.340 -0.006 0.000 0.231 161 R C 1.898 178.026 176.300 -0.285 0.000 1.119 161 R CA 1.756 57.702 56.100 -0.258 0.000 0.970 161 R CB 0.002 30.188 30.300 -0.190 0.000 0.864 161 R HN 0.191 nan 8.270 nan 0.000 0.440 162 E N -0.094 119.925 120.200 -0.301 0.000 2.150 162 E HA -0.126 4.221 4.350 -0.006 0.000 0.193 162 E C 1.934 178.429 176.600 -0.174 0.000 0.985 162 E CA 0.964 57.228 56.400 -0.227 0.000 0.814 162 E CB -0.040 29.525 29.700 -0.224 0.000 0.752 162 E HN 0.472 nan 8.360 nan 0.000 0.466 163 A N 0.978 123.616 122.820 -0.303 0.000 1.902 163 A HA -0.218 4.098 4.320 -0.006 0.000 0.217 163 A C 2.259 179.830 177.584 -0.020 0.000 1.181 163 A CA 1.768 53.803 52.037 -0.003 0.000 0.623 163 A CB -0.675 18.366 19.000 0.068 0.000 0.818 163 A HN 0.239 nan 8.150 nan 0.000 0.443 164 S N -0.496 114.980 115.700 -0.374 0.000 2.370 164 S HA -0.224 4.242 4.470 -0.006 0.000 0.226 164 S C 1.867 176.230 174.600 -0.394 0.000 1.033 164 S CA 1.868 59.554 58.200 -0.857 0.000 1.011 164 S CB -0.341 62.048 63.200 -1.352 0.000 0.852 164 S HN 0.657 nan 8.310 nan 0.000 0.457 165 E N 0.172 120.225 120.200 -0.246 0.000 2.107 165 E HA 0.002 4.348 4.350 -0.006 0.000 0.191 165 E C 1.997 178.567 176.600 -0.049 0.000 0.982 165 E CA 1.217 57.537 56.400 -0.132 0.000 0.809 165 E CB -0.143 29.504 29.700 -0.088 0.000 0.756 165 E HN 0.580 nan 8.360 nan 0.000 0.459 166 I N 0.392 120.968 120.570 0.010 0.000 2.202 166 I HA -0.260 3.906 4.170 -0.006 0.000 0.242 166 I C 2.219 178.353 176.117 0.028 0.000 1.091 166 I CA 0.705 62.036 61.300 0.052 0.000 1.368 166 I CB -0.138 37.943 38.000 0.134 0.000 1.058 166 I HN 0.190 nan 8.210 nan 0.000 0.410 167 M N 0.504 120.155 119.600 0.085 0.000 2.159 167 M HA -0.217 4.259 4.480 -0.006 0.000 0.263 167 M C 2.248 178.648 176.300 0.167 0.000 1.063 167 M CA 1.626 57.035 55.300 0.182 0.000 1.110 167 M CB -1.124 31.698 32.600 0.370 0.000 1.374 167 M HN 0.177 nan 8.290 nan 0.000 0.411 168 K N 0.116 120.539 120.400 0.039 0.000 2.097 168 K HA -0.133 4.184 4.320 -0.006 0.000 0.206 168 K C 2.086 178.645 176.600 -0.069 0.000 1.049 168 K CA 1.831 58.121 56.287 0.005 0.000 0.933 168 K CB 0.038 32.491 32.500 -0.080 0.000 0.717 168 K HN 0.374 nan 8.250 nan 0.000 0.442 169 S N 0.291 115.893 115.700 -0.164 0.000 2.414 169 S HA -0.062 4.404 4.470 -0.006 0.000 0.227 169 S C 1.999 176.348 174.600 -0.418 0.000 1.022 169 S CA 0.695 58.618 58.200 -0.462 0.000 0.958 169 S CB -0.446 62.465 63.200 -0.482 0.000 0.797 169 S HN 0.330 nan 8.310 nan 0.000 0.493 170 I N 2.456 122.908 120.570 -0.198 0.000 2.179 170 I HA -0.062 4.104 4.170 -0.006 0.000 0.242 170 I C 2.973 179.010 176.117 -0.134 0.000 1.088 170 I CA 1.234 62.438 61.300 -0.159 0.000 1.357 170 I CB -1.172 36.757 38.000 -0.119 0.000 1.051 170 I HN 0.480 nan 8.210 nan 0.000 0.409 171 G N 0.371 109.150 108.800 -0.034 0.000 2.469 171 G HA2 -0.269 3.688 3.960 -0.006 0.000 0.219 171 G HA3 -0.269 3.688 3.960 -0.006 0.000 0.219 171 G C 1.533 176.428 174.900 -0.009 0.000 1.150 171 G CA 0.830 45.947 45.100 0.028 0.000 0.763 171 G HN 0.427 nan 8.290 nan 0.000 0.561 172 E N 0.390 120.564 120.200 -0.043 0.000 2.118 172 E HA -0.080 4.267 4.350 -0.006 0.000 0.195 172 E C 2.954 179.569 176.600 0.024 0.000 0.992 172 E CA 0.725 57.113 56.400 -0.020 0.000 0.804 172 E CB -0.183 29.466 29.700 -0.085 0.000 0.741 172 E HN 0.433 nan 8.360 nan 0.000 0.458 173 A N 1.521 124.325 122.820 -0.026 0.000 1.858 173 A HA -0.195 4.121 4.320 -0.006 0.000 0.216 173 A C 2.127 179.727 177.584 0.028 0.000 1.190 173 A CA 1.220 53.282 52.037 0.042 0.000 0.617 173 A CB -0.497 18.499 19.000 -0.006 0.000 0.827 173 A HN 0.125 nan 8.150 nan 0.000 0.443 174 I N 0.218 120.725 120.570 -0.104 0.000 2.208 174 I HA -0.283 3.884 4.170 -0.006 0.000 0.245 174 I C 2.678 178.637 176.117 -0.264 0.000 1.097 174 I CA 2.082 63.233 61.300 -0.248 0.000 1.363 174 I CB -1.567 36.198 38.000 -0.392 0.000 1.051 174 I HN 0.658 nan 8.210 nan 0.000 0.413 175 Q N 0.352 120.085 119.800 -0.112 0.000 2.096 175 Q HA -0.279 4.057 4.340 -0.006 0.000 0.204 175 Q C 2.478 178.529 176.000 0.086 0.000 0.982 175 Q CA 1.863 57.660 55.803 -0.010 0.000 0.850 175 Q CB -0.447 28.327 28.738 0.061 0.000 0.901 175 Q HN 0.503 nan 8.270 nan 0.000 0.422 176 Y N 0.683 120.992 120.300 0.016 0.000 2.145 176 Y HA -0.204 4.342 4.550 -0.006 0.000 0.286 176 Y C 1.808 177.757 175.900 0.082 0.000 1.145 176 Y CA 1.742 59.871 58.100 0.049 0.000 1.148 176 Y CB -0.228 38.263 38.460 0.052 0.000 0.981 176 Y HN 0.123 nan 8.280 nan 0.000 0.507 177 L N -0.735 120.583 121.223 0.159 0.000 2.012 177 L HA -0.339 3.997 4.340 -0.006 0.000 0.210 177 L C 2.505 179.473 176.870 0.164 0.000 1.073 177 L CA 2.028 56.966 54.840 0.164 0.000 0.748 177 L CB -0.871 41.345 42.059 0.261 0.000 0.891 177 L HN 0.400 nan 8.230 nan 0.000 0.431 178 H N -1.054 118.021 119.070 0.008 0.000 2.387 178 H HA -0.138 4.415 4.556 -0.006 0.000 0.299 178 H C 2.525 177.826 175.328 -0.044 0.000 1.090 178 H CA 1.258 57.304 56.048 -0.002 0.000 1.332 178 H CB 0.124 29.898 29.762 0.019 0.000 1.386 178 H HN 0.441 nan 8.280 nan 0.000 0.516 179 S N 1.317 117.042 115.700 0.041 0.000 2.453 179 S HA -0.082 4.384 4.470 -0.006 0.000 0.231 179 S C 1.750 176.276 174.600 -0.123 0.000 1.005 179 S CA 0.837 59.009 58.200 -0.047 0.000 0.949 179 S CB -0.579 62.578 63.200 -0.072 0.000 0.774 179 S HN 0.567 nan 8.310 nan 0.000 0.510 180 I N -1.890 118.568 120.570 -0.187 0.000 3.884 180 I HA 0.466 4.632 4.170 -0.006 0.000 0.330 180 I C -0.388 175.688 176.117 -0.068 0.000 1.451 180 I CA -0.640 60.559 61.300 -0.169 0.000 1.165 180 I CB -1.183 36.649 38.000 -0.279 0.000 1.097 180 I HN 0.009 nan 8.210 nan 0.000 0.404 181 N N 1.805 120.484 118.700 -0.035 0.000 2.756 181 N HA -0.131 4.606 4.740 -0.006 0.000 0.248 181 N C -0.941 174.574 175.510 0.009 0.000 1.062 181 N CA 0.656 53.694 53.050 -0.020 0.000 0.696 181 N CB -1.013 37.459 38.487 -0.025 0.000 0.946 181 N HN 0.563 nan 8.380 nan 0.000 0.548 182 I N 0.006 120.607 120.570 0.053 0.000 2.466 182 I HA 0.608 4.775 4.170 -0.006 0.000 0.289 182 I C 0.061 176.270 176.117 0.152 0.000 1.026 182 I CA -0.868 60.498 61.300 0.110 0.000 1.078 182 I CB 1.836 39.941 38.000 0.175 0.000 1.249 182 I HN 0.160 nan 8.210 nan 0.000 0.429 183 A N 3.897 126.780 122.820 0.105 0.000 2.305 183 A HA 0.378 4.694 4.320 -0.006 0.000 0.322 183 A C 0.290 177.965 177.584 0.153 0.000 1.187 183 A CA -0.265 51.850 52.037 0.131 0.000 0.825 183 A CB 0.507 19.532 19.000 0.042 0.000 1.164 183 A HN 0.916 nan 8.150 nan 0.000 0.498 184 H N 1.358 120.470 119.070 0.071 0.000 2.384 184 H HA 0.054 4.607 4.556 -0.005 0.000 0.300 184 H C 0.924 176.235 175.328 -0.028 0.000 1.057 184 H CA 1.725 57.734 56.048 -0.065 0.000 1.370 184 H CB 0.063 29.724 29.762 -0.167 0.000 1.417 184 H HN 0.775 nan 8.280 nan 0.000 0.527 185 R N -0.762 119.828 120.500 0.150 0.000 3.954 185 R HA -0.194 4.142 4.340 -0.006 0.000 0.422 185 R C -0.681 175.616 176.300 -0.005 0.000 1.091 185 R CA 1.173 57.321 56.100 0.078 0.000 1.168 185 R CB -2.075 28.287 30.300 0.103 0.000 1.752 185 R HN 0.500 nan 8.270 nan 0.000 0.547 186 D N -0.009 120.494 120.400 0.172 0.000 3.216 186 D HA 0.147 4.784 4.640 -0.006 0.000 0.348 186 D C -0.879 175.519 176.300 0.163 0.000 1.407 186 D CA -0.116 53.902 54.000 0.031 0.000 0.744 186 D CB 0.768 41.465 40.800 -0.170 0.000 1.264 186 D HN -0.029 nan 8.370 nan 0.000 0.543 187 V N 2.894 122.839 119.914 0.050 0.000 2.352 187 V HA 0.267 4.383 4.120 -0.006 0.000 0.253 187 V C 0.443 176.496 176.094 -0.069 0.000 1.083 187 V CA 0.102 62.308 62.300 -0.157 0.000 0.993 187 V CB -0.027 31.668 31.823 -0.214 0.000 1.111 187 V HN 0.191 nan 8.190 nan 0.000 0.490 188 K N 4.344 124.711 120.400 -0.055 0.000 2.400 188 K HA 0.670 4.986 4.320 -0.006 0.000 0.246 188 K C -2.520 174.092 176.600 0.019 0.000 0.995 188 K CA -2.088 54.195 56.287 -0.006 0.000 0.840 188 K CB 1.551 34.039 32.500 -0.019 0.000 1.293 188 K HN -0.029 nan 8.250 nan 0.000 0.445 189 P HA -0.257 nan 4.420 nan 0.000 0.219 189 P C 0.303 177.660 177.300 0.096 0.000 1.158 189 P CA 1.674 64.903 63.100 0.216 0.000 0.895 189 P CB 0.091 32.065 31.700 0.456 0.000 0.792 190 E N -1.377 118.862 120.200 0.065 0.000 2.338 190 E HA -0.112 4.234 4.350 -0.006 0.000 0.197 190 E C 1.155 177.765 176.600 0.018 0.000 1.007 190 E CA 0.894 57.320 56.400 0.043 0.000 0.849 190 E CB -0.846 28.871 29.700 0.028 0.000 0.774 190 E HN 0.472 nan 8.360 nan 0.000 0.506 191 N N -0.302 118.393 118.700 -0.008 0.000 2.280 191 N HA 0.143 4.880 4.740 -0.006 0.000 0.192 191 N C -0.677 174.789 175.510 -0.073 0.000 1.109 191 N CA -0.118 52.919 53.050 -0.021 0.000 0.855 191 N CB 0.477 38.955 38.487 -0.015 0.000 0.974 191 N HN 0.015 nan 8.380 nan 0.000 0.482 192 L N 2.153 123.315 121.223 -0.102 0.000 2.295 192 L HA 0.477 4.813 4.340 -0.006 0.000 0.281 192 L C -0.860 175.893 176.870 -0.195 0.000 1.018 192 L CA -0.359 54.374 54.840 -0.178 0.000 0.841 192 L CB 0.916 42.829 42.059 -0.244 0.000 1.218 192 L HN -0.079 nan 8.230 nan 0.000 0.424 193 L N 2.047 123.163 121.223 -0.178 0.000 2.323 193 L HA 0.568 4.904 4.340 -0.006 0.000 0.265 193 L C -1.029 175.716 176.870 -0.207 0.000 1.012 193 L CA -0.973 53.788 54.840 -0.132 0.000 0.820 193 L CB 1.915 43.962 42.059 -0.020 0.000 1.334 193 L HN 0.246 nan 8.230 nan 0.000 0.427 194 Y N -0.590 119.706 120.300 -0.007 0.000 2.387 194 Y HA 0.170 4.716 4.550 -0.006 0.000 0.330 194 Y C 1.589 177.488 175.900 -0.002 0.000 1.133 194 Y CA -0.282 57.815 58.100 -0.005 0.000 1.152 194 Y CB 1.906 40.359 38.460 -0.012 0.000 1.215 194 Y HN 0.736 nan 8.280 nan 0.000 0.466 195 T N -2.035 112.631 114.554 0.186 0.000 2.746 195 T HA -0.038 4.308 4.350 -0.006 0.000 0.267 195 T C 0.609 175.351 174.700 0.069 0.000 1.039 195 T CA 1.327 63.482 62.100 0.091 0.000 1.142 195 T CB -0.306 68.599 68.868 0.061 0.000 0.866 195 T HN 0.547 nan 8.240 nan 0.000 0.444 196 S N -0.871 114.874 115.700 0.075 0.000 2.794 196 S HA 0.547 5.014 4.470 -0.006 0.000 0.299 196 S C 0.180 174.780 174.600 -0.000 0.000 1.179 196 S CA -1.176 57.041 58.200 0.027 0.000 0.838 196 S CB 2.037 65.240 63.200 0.005 0.000 1.206 196 S HN 0.070 nan 8.310 nan 0.000 0.523 197 K N -0.133 120.254 120.400 -0.021 0.000 2.361 197 K HA 0.172 4.488 4.320 -0.006 0.000 0.196 197 K C 0.093 176.647 176.600 -0.077 0.000 1.039 197 K CA 0.114 56.369 56.287 -0.053 0.000 1.001 197 K CB -0.014 32.467 32.500 -0.032 0.000 0.795 197 K HN 0.457 nan 8.250 nan 0.000 0.495 198 R N 1.768 122.235 120.500 -0.054 0.000 2.638 198 R HA -0.047 4.290 4.340 -0.006 0.000 0.268 198 R C -1.608 174.643 176.300 -0.082 0.000 1.006 198 R CA -0.649 55.419 56.100 -0.053 0.000 1.088 198 R CB 0.040 30.321 30.300 -0.032 0.000 0.950 198 R HN 0.026 nan 8.270 nan 0.000 0.419 199 P HA -0.117 nan 4.420 nan 0.000 0.234 199 P C -0.463 176.788 177.300 -0.082 0.000 1.167 199 P CA 1.131 64.174 63.100 -0.096 0.000 0.763 199 P CB 0.061 31.723 31.700 -0.064 0.000 0.835 200 N N -1.166 117.504 118.700 -0.051 0.000 2.238 200 N HA 0.293 5.029 4.740 -0.006 0.000 0.222 200 N C 0.423 175.936 175.510 0.005 0.000 1.133 200 N CA -0.482 52.557 53.050 -0.019 0.000 0.854 200 N CB -0.138 38.342 38.487 -0.011 0.000 1.041 200 N HN -0.059 nan 8.380 nan 0.000 0.510 201 A N 0.817 123.631 122.820 -0.010 0.000 2.466 201 A HA 0.282 4.599 4.320 -0.006 0.000 0.238 201 A C 0.258 177.956 177.584 0.190 0.000 1.074 201 A CA -0.140 51.937 52.037 0.065 0.000 0.774 201 A CB 0.123 19.153 19.000 0.050 0.000 1.015 201 A HN 0.292 nan 8.150 nan 0.000 0.498 202 I N 1.570 122.248 120.570 0.179 0.000 2.396 202 I HA 0.203 4.369 4.170 -0.006 0.000 0.292 202 I C 0.106 176.332 176.117 0.182 0.000 0.999 202 I CA -0.452 60.945 61.300 0.162 0.000 1.310 202 I CB 0.930 38.928 38.000 -0.003 0.000 1.404 202 I HN 0.596 nan 8.210 nan 0.000 0.496 203 L N 7.718 129.003 121.223 0.103 0.000 2.331 203 L HA 0.331 4.667 4.340 -0.006 0.000 0.278 203 L C -0.168 176.678 176.870 -0.041 0.000 1.106 203 L CA 0.398 55.088 54.840 -0.251 0.000 0.824 203 L CB 0.085 41.912 42.059 -0.387 0.000 1.142 203 L HN 0.518 nan 8.230 nan 0.000 0.443 204 K N 4.739 125.068 120.400 -0.119 0.000 2.426 204 K HA 0.490 4.806 4.320 -0.006 0.000 0.251 204 K C -1.607 174.962 176.600 -0.052 0.000 0.941 204 K CA -1.060 55.212 56.287 -0.025 0.000 0.808 204 K CB 2.477 34.978 32.500 0.002 0.000 1.265 204 K HN 0.426 nan 8.250 nan 0.000 0.432 205 L N 1.757 122.970 121.223 -0.016 0.000 2.307 205 L HA 0.433 4.769 4.340 -0.006 0.000 0.282 205 L C -0.258 176.635 176.870 0.038 0.000 1.051 205 L CA 0.396 55.199 54.840 -0.061 0.000 0.804 205 L CB 1.483 43.459 42.059 -0.140 0.000 1.197 205 L HN 0.854 nan 8.230 nan 0.000 0.431 206 T N 0.072 114.648 114.554 0.037 0.000 2.888 206 T HA 0.569 4.915 4.350 -0.006 0.000 0.288 206 T C -0.760 174.032 174.700 0.153 0.000 1.063 206 T CA -0.662 61.530 62.100 0.152 0.000 1.010 206 T CB 1.335 70.288 68.868 0.142 0.000 1.214 206 T HN 0.740 nan 8.240 nan 0.000 0.533 207 D N -0.265 120.282 120.400 0.246 0.000 4.669 207 D HA -0.153 4.484 4.640 -0.006 0.000 0.240 207 D C -1.037 175.255 176.300 -0.014 0.000 1.111 207 D CA 0.150 54.267 54.000 0.195 0.000 1.179 207 D CB -0.985 39.896 40.800 0.136 0.000 0.750 207 D HN 0.559 nan 8.370 nan 0.000 0.360 208 F N 1.240 121.197 119.950 0.011 0.000 2.750 208 F HA 0.367 4.890 4.527 -0.007 0.000 0.297 208 F C 2.130 177.918 175.800 -0.020 0.000 1.138 208 F CA 0.180 58.132 58.000 -0.080 0.000 1.346 208 F CB 0.733 39.718 39.000 -0.025 0.000 0.965 208 F HN 0.391 nan 8.300 nan 0.000 0.514 209 G N -0.751 108.130 108.800 0.135 0.000 2.471 209 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.219 209 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.219 209 G C 1.248 176.123 174.900 -0.042 0.000 1.125 209 G CA 0.723 45.873 45.100 0.083 0.000 0.775 209 G HN 0.396 nan 8.290 nan 0.000 0.548 210 F N 0.703 120.586 119.950 -0.112 0.000 2.706 210 F HA 0.533 5.057 4.527 -0.005 0.000 0.308 210 F C 1.695 177.430 175.800 -0.108 0.000 1.095 210 F CA -0.566 57.373 58.000 -0.102 0.000 1.244 210 F CB 0.570 39.501 39.000 -0.116 0.000 1.063 210 F HN 0.130 nan 8.300 nan 0.000 0.582 211 A N 1.680 124.507 122.820 0.011 0.000 2.531 211 A HA 0.279 4.595 4.320 -0.006 0.000 0.236 211 A C 0.188 177.817 177.584 0.074 0.000 1.062 211 A CA 0.314 52.368 52.037 0.029 0.000 0.760 211 A CB 0.207 19.298 19.000 0.152 0.000 0.995 211 A HN 0.284 nan 8.150 nan 0.000 0.501 212 K N 1.394 121.839 120.400 0.075 0.000 2.502 212 K HA 0.307 4.624 4.320 -0.006 0.000 0.257 212 K C -0.849 175.782 176.600 0.052 0.000 0.938 212 K CA -0.496 55.822 56.287 0.052 0.000 0.819 212 K CB 1.670 34.191 32.500 0.034 0.000 1.333 212 K HN 0.855 nan 8.250 nan 0.000 0.434 213 E N 0.829 121.052 120.200 0.037 0.000 2.338 213 E HA 0.018 4.364 4.350 -0.006 0.000 0.272 213 E C 0.492 177.093 176.600 0.002 0.000 1.029 213 E CA 0.063 56.478 56.400 0.024 0.000 0.872 213 E CB 1.028 30.740 29.700 0.020 0.000 1.015 213 E HN 0.655 nan 8.360 nan 0.000 0.417 214 T N -1.164 113.383 114.554 -0.011 0.000 3.129 214 T HA 0.005 4.352 4.350 -0.006 0.000 0.251 214 T C 0.801 175.481 174.700 -0.033 0.000 1.117 214 T CA 0.071 62.152 62.100 -0.032 0.000 1.034 214 T CB -0.049 68.784 68.868 -0.059 0.000 0.968 214 T HN 0.469 nan 8.240 nan 0.000 0.526 228 Y N 1.554 121.331 120.300 -0.873 0.000 2.873 228 Y HA 0.477 5.024 4.550 -0.006 0.000 0.375 228 Y C -0.063 175.543 175.900 -0.490 0.000 1.070 228 Y CA -0.977 56.783 58.100 -0.566 0.000 1.644 228 Y CB -1.205 37.085 38.460 -0.284 0.000 1.495 228 Y HN 0.367 nan 8.280 nan 0.000 0.494 229 Y N -2.524 117.897 120.300 0.202 0.000 2.991 229 Y HA 0.392 4.938 4.550 -0.006 0.000 0.289 229 Y C -0.687 175.258 175.900 0.075 0.000 1.008 229 Y CA -1.510 56.673 58.100 0.137 0.000 1.266 229 Y CB -0.774 37.762 38.460 0.126 0.000 1.401 229 Y HN -0.015 nan 8.280 nan 0.000 0.587 230 V N 2.702 122.708 119.914 0.153 0.000 2.432 230 V HA 0.795 4.911 4.120 -0.006 0.000 0.275 230 V C 0.754 176.895 176.094 0.078 0.000 1.043 230 V CA -0.653 61.725 62.300 0.130 0.000 0.925 230 V CB 0.553 32.423 31.823 0.078 0.000 0.985 230 V HN 0.505 nan 8.190 nan 0.000 0.466 231 A N 8.112 130.978 122.820 0.077 0.000 2.583 231 A HA 0.221 4.537 4.320 -0.006 0.000 0.231 231 A C -1.300 176.308 177.584 0.040 0.000 1.065 231 A CA -0.157 51.913 52.037 0.056 0.000 0.760 231 A CB -0.470 18.561 19.000 0.051 0.000 1.001 231 A HN 0.811 nan 8.150 nan 0.000 0.509 232 P HA -0.107 nan 4.420 nan 0.000 0.220 232 P C 0.718 178.030 177.300 0.020 0.000 1.148 232 P CA 1.579 64.694 63.100 0.025 0.000 0.803 232 P CB 0.101 31.818 31.700 0.028 0.000 0.782 233 E N -0.698 119.516 120.200 0.024 0.000 2.150 233 E HA -0.083 4.264 4.350 -0.006 0.000 0.193 233 E C 1.747 178.355 176.600 0.014 0.000 0.985 233 E CA 0.797 57.208 56.400 0.018 0.000 0.814 233 E CB -1.117 28.596 29.700 0.022 0.000 0.752 233 E HN 0.065 nan 8.360 nan 0.000 0.466 234 V N 1.002 120.927 119.914 0.020 0.000 3.217 234 V HA -0.056 4.061 4.120 -0.006 0.000 0.264 234 V C 1.019 177.121 176.094 0.012 0.000 1.135 234 V CA 0.815 63.126 62.300 0.019 0.000 1.142 234 V CB -0.454 31.387 31.823 0.030 0.000 0.754 234 V HN 0.254 nan 8.190 nan 0.000 0.484 235 L N 1.840 123.069 121.223 0.009 0.000 2.598 235 L HA 0.601 4.937 4.340 -0.006 0.000 0.241 235 L C 0.737 177.605 176.870 -0.003 0.000 1.244 235 L CA 0.079 54.920 54.840 0.002 0.000 1.198 235 L CB -0.486 41.573 42.059 0.001 0.000 1.448 235 L HN 0.364 nan 8.230 nan 0.000 0.406 236 G N 1.177 109.974 108.800 -0.005 0.000 2.785 236 G HA2 -0.147 3.809 3.960 -0.006 0.000 0.686 236 G HA3 -0.147 3.809 3.960 -0.006 0.000 0.686 236 G C -2.333 172.559 174.900 -0.015 0.000 1.155 236 G CA -1.039 44.055 45.100 -0.011 0.000 0.760 236 G HN 0.328 nan 8.290 nan 0.000 0.624 237 P HA 0.105 nan 4.420 nan 0.000 0.198 237 P C 0.588 177.866 177.300 -0.037 0.000 1.043 237 P CA 1.344 64.426 63.100 -0.030 0.000 0.892 237 P CB -0.014 31.664 31.700 -0.038 0.000 0.701 238 E N -1.476 118.693 120.200 -0.052 0.000 7.468 238 E HA -0.133 4.213 4.350 -0.006 0.000 0.282 238 E C -0.106 176.438 176.600 -0.092 0.000 0.816 238 E CA -0.127 56.237 56.400 -0.061 0.000 1.479 238 E CB -0.380 29.295 29.700 -0.042 0.000 0.915 238 E HN 0.326 nan 8.360 nan 0.000 0.264 239 K N 3.431 123.745 120.400 -0.142 0.000 2.894 239 K HA 0.158 4.474 4.320 -0.006 0.000 0.325 239 K C 0.655 177.147 176.600 -0.180 0.000 0.984 239 K CA -0.004 56.108 56.287 -0.292 0.000 1.266 239 K CB -0.019 32.263 32.500 -0.364 0.000 1.423 239 K HN 0.520 nan 8.250 nan 0.000 0.614 240 Y N 0.805 121.089 120.300 -0.027 0.000 2.495 240 Y HA 0.057 4.603 4.550 -0.006 0.000 0.293 240 Y C 1.022 176.903 175.900 -0.032 0.000 1.186 240 Y CA -0.688 57.395 58.100 -0.028 0.000 1.266 240 Y CB -0.174 38.269 38.460 -0.029 0.000 1.101 240 Y HN 0.443 nan 8.280 nan 0.000 0.517 241 D N 1.440 121.872 120.400 0.055 0.000 2.116 241 D HA -0.194 4.442 4.640 -0.006 0.000 0.193 241 D C 1.649 177.961 176.300 0.020 0.000 0.998 241 D CA 1.445 55.463 54.000 0.030 0.000 0.836 241 D CB 0.082 40.878 40.800 -0.007 0.000 0.951 241 D HN 0.435 nan 8.370 nan 0.000 0.449 242 K N 0.663 121.032 120.400 -0.052 0.000 2.057 242 K HA -0.062 4.255 4.320 -0.006 0.000 0.206 242 K C 2.267 178.894 176.600 0.044 0.000 1.050 242 K CA 1.145 57.328 56.287 -0.173 0.000 0.935 242 K CB -0.066 32.172 32.500 -0.438 0.000 0.715 242 K HN 0.078 nan 8.250 nan 0.000 0.439 243 S N 0.432 116.178 115.700 0.076 0.000 2.547 243 S HA -0.144 4.323 4.470 -0.006 0.000 0.235 243 S C 2.119 176.791 174.600 0.121 0.000 0.980 243 S CA 0.981 59.248 58.200 0.110 0.000 0.941 243 S CB -0.733 62.518 63.200 0.086 0.000 0.763 243 S HN 0.469 nan 8.310 nan 0.000 0.532 244 C N 1.134 120.500 119.300 0.111 0.000 2.504 244 C HA 0.095 4.551 4.460 -0.006 0.000 0.279 244 C C 2.140 177.217 174.990 0.146 0.000 1.358 244 C CA 0.540 59.616 59.018 0.097 0.000 1.747 244 C CB -1.071 26.702 27.740 0.054 0.000 2.037 244 C HN 0.496 nan 8.230 nan 0.000 0.503 245 D N 1.172 121.663 120.400 0.153 0.000 2.117 245 D HA -0.113 4.524 4.640 -0.006 0.000 0.197 245 D C 2.217 178.558 176.300 0.068 0.000 0.987 245 D CA 1.339 55.413 54.000 0.123 0.000 0.829 245 D CB -0.354 40.553 40.800 0.179 0.000 0.961 245 D HN 0.405 nan 8.370 nan 0.000 0.460 246 M N -0.338 119.320 119.600 0.096 0.000 2.202 246 M HA -0.148 4.328 4.480 -0.006 0.000 0.262 246 M C 2.098 178.431 176.300 0.054 0.000 1.063 246 M CA 0.812 56.125 55.300 0.022 0.000 1.097 246 M CB -1.209 31.433 32.600 0.071 0.000 1.382 246 M HN 0.345 nan 8.290 nan 0.000 0.413 247 W N 1.348 122.622 121.300 -0.042 0.000 2.354 247 W HA -0.169 4.488 4.660 -0.006 0.000 0.315 247 W C 2.007 178.498 176.519 -0.048 0.000 1.206 247 W CA 1.869 59.191 57.345 -0.040 0.000 1.290 247 W CB -0.605 28.832 29.460 -0.039 0.000 1.152 247 W HN 0.218 nan 8.180 nan 0.000 0.489 248 S N 1.620 117.411 115.700 0.152 0.000 2.387 248 S HA -0.244 4.222 4.470 -0.006 0.000 0.230 248 S C 1.751 176.298 174.600 -0.088 0.000 1.035 248 S CA 1.636 59.856 58.200 0.034 0.000 1.014 248 S CB -0.810 62.416 63.200 0.044 0.000 0.836 248 S HN 0.197 nan 8.310 nan 0.000 0.466 249 L N 1.688 122.837 121.223 -0.124 0.000 2.046 249 L HA 0.004 4.340 4.340 -0.006 0.000 0.208 249 L C 2.422 179.214 176.870 -0.131 0.000 1.077 249 L CA 1.690 56.423 54.840 -0.178 0.000 0.747 249 L CB -1.243 40.598 42.059 -0.363 0.000 0.896 249 L HN 0.362 nan 8.230 nan 0.000 0.432 250 G N -1.575 107.113 108.800 -0.187 0.000 2.418 250 G HA2 -0.191 3.765 3.960 -0.006 0.000 0.217 250 G HA3 -0.191 3.765 3.960 -0.006 0.000 0.217 250 G C 1.571 176.326 174.900 -0.241 0.000 1.158 250 G CA 0.975 45.948 45.100 -0.213 0.000 0.771 250 G HN 0.281 nan 8.290 nan 0.000 0.545 251 V N 1.023 120.719 119.914 -0.363 0.000 2.343 251 V HA -0.142 3.974 4.120 -0.006 0.000 0.247 251 V C 2.765 178.847 176.094 -0.019 0.000 1.051 251 V CA 1.501 63.639 62.300 -0.271 0.000 1.036 251 V CB -0.351 31.321 31.823 -0.252 0.000 0.654 251 V HN 0.381 nan 8.190 nan 0.000 0.451 252 I N -0.845 119.744 120.570 0.033 0.000 2.252 252 I HA -0.299 3.867 4.170 -0.006 0.000 0.245 252 I C 2.494 178.748 176.117 0.228 0.000 1.102 252 I CA 1.847 63.256 61.300 0.182 0.000 1.385 252 I CB -0.257 37.827 38.000 0.139 0.000 1.064 252 I HN 0.297 nan 8.210 nan 0.000 0.414 253 M N -0.389 119.307 119.600 0.161 0.000 2.149 253 M HA -0.301 4.176 4.480 -0.006 0.000 0.261 253 M C 2.429 178.864 176.300 0.226 0.000 1.064 253 M CA 1.993 57.413 55.300 0.200 0.000 1.102 253 M CB -0.248 32.450 32.600 0.163 0.000 1.369 253 M HN 0.246 nan 8.290 nan 0.000 0.408 254 Y N 0.824 121.168 120.300 0.074 0.000 2.163 254 Y HA -0.206 4.340 4.550 -0.006 0.000 0.288 254 Y C 1.815 177.770 175.900 0.092 0.000 1.136 254 Y CA 2.052 60.243 58.100 0.151 0.000 1.147 254 Y CB -0.277 38.145 38.460 -0.065 0.000 0.987 254 Y HN 0.201 nan 8.280 nan 0.000 0.509 255 I N -0.341 120.383 120.570 0.256 0.000 2.286 255 I HA -0.323 3.843 4.170 -0.006 0.000 0.248 255 I C 2.361 178.483 176.117 0.008 0.000 1.115 255 I CA 1.154 62.486 61.300 0.054 0.000 1.392 255 I CB -0.448 37.531 38.000 -0.035 0.000 1.065 255 I HN 0.250 nan 8.210 nan 0.000 0.418 256 L N 0.162 121.519 121.223 0.224 0.000 2.191 256 L HA -0.192 4.145 4.340 -0.006 0.000 0.212 256 L C 2.190 179.177 176.870 0.194 0.000 1.103 256 L CA 1.268 56.314 54.840 0.343 0.000 0.769 256 L CB -0.119 42.184 42.059 0.408 0.000 0.908 256 L HN 0.334 nan 8.230 nan 0.000 0.438 257 L N -1.661 119.517 121.223 -0.074 0.000 2.554 257 L HA -0.042 4.294 4.340 -0.006 0.000 0.225 257 L C 1.934 178.410 176.870 -0.658 0.000 1.104 257 L CA 0.204 54.833 54.840 -0.352 0.000 0.866 257 L CB 0.200 41.934 42.059 -0.542 0.000 1.047 257 L HN 0.497 nan 8.230 nan 0.000 0.468 258 C N -4.664 114.257 119.300 -0.631 0.000 4.272 258 C HA 0.618 5.074 4.460 -0.006 0.000 0.504 258 C C 1.541 176.269 174.990 -0.437 0.000 1.555 258 C CA 0.159 58.745 59.018 -0.720 0.000 2.276 258 C CB 0.676 27.716 27.740 -1.166 0.000 3.414 258 C HN 0.530 nan 8.230 nan 0.000 0.636 259 G N 0.690 109.270 108.800 -0.367 0.000 2.195 259 G HA2 -0.082 3.874 3.960 -0.006 0.000 0.224 259 G HA3 -0.082 3.874 3.960 -0.006 0.000 0.224 259 G C -0.299 174.498 174.900 -0.173 0.000 0.990 259 G CA 0.649 45.598 45.100 -0.250 0.000 0.639 259 G HN 1.462 nan 8.290 nan 0.000 0.514 260 Y N -0.931 119.358 120.300 -0.018 0.000 2.605 260 Y HA 0.868 5.414 4.550 -0.006 0.000 0.343 260 Y C -2.664 173.344 175.900 0.180 0.000 1.036 260 Y CA -3.118 55.027 58.100 0.074 0.000 1.065 260 Y CB 0.881 39.416 38.460 0.124 0.000 1.288 260 Y HN 0.049 nan 8.280 nan 0.000 0.481 261 P HA 0.167 nan 4.420 nan 0.000 0.274 261 P C -2.280 174.816 177.300 -0.339 0.000 1.237 261 P CA -1.742 61.363 63.100 0.010 0.000 0.793 261 P CB 1.346 33.052 31.700 0.010 0.000 0.977 262 P HA 0.025 nan 4.420 nan 0.000 0.225 262 P C -0.154 176.391 177.300 -1.258 0.000 1.156 262 P CA 1.044 63.169 63.100 -1.626 0.000 0.787 262 P CB 0.153 30.426 31.700 -2.378 0.000 0.802 263 F N -0.948 118.759 119.950 -0.404 0.000 2.426 263 F HA 0.386 4.910 4.527 -0.006 0.000 0.348 263 F C 1.010 176.734 175.800 -0.127 0.000 1.124 263 F CA -1.099 56.786 58.000 -0.191 0.000 1.008 263 F CB 0.977 39.936 39.000 -0.068 0.000 1.139 263 F HN -0.211 nan 8.300 nan 0.000 0.452 264 Y N 0.401 120.811 120.300 0.184 0.000 2.486 264 Y HA 0.321 4.867 4.550 -0.006 0.000 0.356 264 Y C 1.411 177.373 175.900 0.103 0.000 1.330 264 Y CA 0.028 58.200 58.100 0.121 0.000 1.557 264 Y CB 1.198 39.706 38.460 0.081 0.000 1.647 264 Y HN 0.617 nan 8.280 nan 0.000 0.585 265 S N -1.641 114.234 115.700 0.291 0.000 3.608 265 S HA 0.265 4.731 4.470 -0.006 0.000 0.234 265 S C -0.687 173.970 174.600 0.095 0.000 1.077 265 S CA 0.414 58.707 58.200 0.154 0.000 0.827 265 S CB -0.387 62.880 63.200 0.113 0.000 0.964 265 S HN 0.872 nan 8.310 nan 0.000 0.547 272 S N 6.268 121.985 115.700 0.028 0.000 2.591 272 S HA 0.333 4.799 4.470 -0.006 0.000 0.235 272 S C -1.176 173.442 174.600 0.029 0.000 1.074 272 S CA 0.453 58.675 58.200 0.036 0.000 0.925 272 S CB -0.090 63.127 63.200 0.029 0.000 0.818 272 S HN 0.604 nan 8.310 nan 0.000 0.535 273 P HA 0.063 nan 4.420 nan 0.000 0.228 273 P C 1.139 178.443 177.300 0.008 0.000 1.151 273 P CA 1.004 64.109 63.100 0.007 0.000 0.770 273 P CB -0.644 31.058 31.700 0.003 0.000 0.786 274 G N -0.465 108.346 108.800 0.019 0.000 2.985 274 G HA2 -0.055 3.901 3.960 -0.006 0.000 0.209 274 G HA3 -0.055 3.901 3.960 -0.006 0.000 0.209 274 G C 1.305 176.233 174.900 0.046 0.000 1.165 274 G CA -0.016 45.100 45.100 0.026 0.000 0.776 274 G HN 0.234 nan 8.290 nan 0.000 0.541 275 M N 0.095 119.726 119.600 0.053 0.000 2.193 275 M HA 0.149 4.625 4.480 -0.006 0.000 0.265 275 M C 2.383 178.687 176.300 0.007 0.000 1.071 275 M CA 1.309 56.654 55.300 0.075 0.000 1.140 275 M CB -0.147 32.508 32.600 0.091 0.000 1.369 275 M HN 0.159 nan 8.290 nan 0.000 0.423 276 K N -0.181 120.208 120.400 -0.019 0.000 2.160 276 K HA -0.166 4.150 4.320 -0.006 0.000 0.206 276 K C 1.541 178.093 176.600 -0.081 0.000 1.047 276 K CA 2.163 58.412 56.287 -0.064 0.000 0.930 276 K CB -0.090 32.380 32.500 -0.049 0.000 0.720 276 K HN 0.588 nan 8.250 nan 0.000 0.450 277 T N -1.444 113.085 114.554 -0.042 0.000 2.978 277 T HA 0.037 4.384 4.350 -0.006 0.000 0.262 277 T C 1.728 176.413 174.700 -0.025 0.000 1.063 277 T CA 0.276 62.353 62.100 -0.037 0.000 1.140 277 T CB -0.109 68.750 68.868 -0.015 0.000 0.886 277 T HN 0.212 nan 8.240 nan 0.000 0.470 278 R N 0.609 121.117 120.500 0.013 0.000 2.152 278 R HA 0.139 4.475 4.340 -0.006 0.000 0.232 278 R C 2.215 178.508 176.300 -0.012 0.000 1.117 278 R CA 0.986 57.139 56.100 0.087 0.000 0.981 278 R CB -0.540 29.889 30.300 0.215 0.000 0.870 278 R HN 0.447 nan 8.270 nan 0.000 0.451 279 I N 0.763 121.157 120.570 -0.293 0.000 2.333 279 I HA -0.233 3.934 4.170 -0.006 0.000 0.246 279 I C 2.473 178.389 176.117 -0.335 0.000 1.106 279 I CA 1.169 62.064 61.300 -0.675 0.000 1.411 279 I CB -0.165 37.446 38.000 -0.649 0.000 1.082 279 I HN 0.145 nan 8.210 nan 0.000 0.420 280 R N 0.489 120.858 120.500 -0.218 0.000 2.148 280 R HA -0.026 4.310 4.340 -0.006 0.000 0.223 280 R C 1.975 178.231 176.300 -0.073 0.000 1.088 280 R CA 0.907 56.912 56.100 -0.159 0.000 0.985 280 R CB -0.357 29.863 30.300 -0.134 0.000 0.880 280 R HN 0.226 nan 8.270 nan 0.000 0.451 281 M N 0.562 120.145 119.600 -0.029 0.000 2.288 281 M HA 0.139 4.615 4.480 -0.006 0.000 0.266 281 M C 0.987 177.336 176.300 0.082 0.000 1.072 281 M CA 1.390 56.702 55.300 0.021 0.000 1.132 281 M CB -0.378 32.240 32.600 0.029 0.000 1.386 281 M HN 0.605 nan 8.290 nan 0.000 0.432 282 G N 1.997 110.897 108.800 0.166 0.000 2.204 282 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.244 282 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.244 282 G C -0.208 174.888 174.900 0.327 0.000 1.062 282 G CA -0.121 45.196 45.100 0.362 0.000 0.798 282 G HN 0.502 nan 8.290 nan 0.000 0.496 283 Q N -0.370 119.637 119.800 0.345 0.000 2.390 283 Q HA 0.621 4.957 4.340 -0.006 0.000 0.249 283 Q C 0.006 176.139 176.000 0.221 0.000 0.996 283 Q CA -0.618 55.283 55.803 0.163 0.000 0.899 283 Q CB 0.598 29.409 28.738 0.122 0.000 1.216 283 Q HN 0.783 nan 8.270 nan 0.000 0.465 284 Y N -0.499 119.718 120.300 -0.138 0.000 2.705 284 Y HA 0.702 5.248 4.550 -0.006 0.000 0.332 284 Y C -0.929 174.731 175.900 -0.399 0.000 1.221 284 Y CA -1.272 56.595 58.100 -0.388 0.000 1.059 284 Y CB 1.506 39.448 38.460 -0.863 0.000 1.298 284 Y HN 0.318 nan 8.280 nan 0.000 0.459 285 E N -0.004 120.017 120.200 -0.297 0.000 2.459 285 E HA 0.511 4.857 4.350 -0.006 0.000 0.275 285 E C -1.997 174.260 176.600 -0.572 0.000 0.987 285 E CA -1.087 55.060 56.400 -0.423 0.000 0.828 285 E CB 2.432 32.036 29.700 -0.160 0.000 1.428 285 E HN 0.555 nan 8.360 nan 0.000 0.457 286 F N 1.857 121.646 119.950 -0.267 0.000 2.366 286 F HA 0.302 4.825 4.527 -0.006 0.000 0.328 286 F C -2.041 173.664 175.800 -0.159 0.000 1.180 286 F CA -1.789 55.806 58.000 -0.675 0.000 1.232 286 F CB 0.526 39.085 39.000 -0.734 0.000 1.513 286 F HN 0.016 nan 8.300 nan 0.000 0.540 287 P HA 0.061 nan 4.420 nan 0.000 0.271 287 P C -0.340 177.169 177.300 0.348 0.000 1.218 287 P CA -0.221 63.039 63.100 0.266 0.000 0.780 287 P CB 0.807 32.659 31.700 0.253 0.000 0.901 288 N N 2.673 121.496 118.700 0.206 0.000 2.467 288 N HA 0.137 4.873 4.740 -0.006 0.000 0.262 288 N C -1.271 174.299 175.510 0.100 0.000 1.234 288 N CA -1.193 51.943 53.050 0.143 0.000 0.952 288 N CB -0.076 38.469 38.487 0.097 0.000 1.158 288 N HN 0.394 nan 8.380 nan 0.000 0.463 289 P HA 0.092 nan 4.420 nan 0.000 0.240 289 P C 0.299 177.464 177.300 -0.226 0.000 1.190 289 P CA 0.693 63.774 63.100 -0.031 0.000 0.781 289 P CB 0.569 32.278 31.700 0.015 0.000 0.931 290 E N -0.153 119.857 120.200 -0.317 0.000 2.077 290 E HA -0.155 4.192 4.350 -0.006 0.000 0.193 290 E C 1.238 177.573 176.600 -0.442 0.000 0.989 290 E CA 1.474 57.497 56.400 -0.629 0.000 0.800 290 E CB -0.794 28.629 29.700 -0.462 0.000 0.746 290 E HN 0.396 nan 8.360 nan 0.000 0.452 291 W N 0.487 121.718 121.300 -0.114 0.000 3.290 291 W HA 0.116 4.772 4.660 -0.006 0.000 0.287 291 W C 1.889 178.365 176.519 -0.071 0.000 1.288 291 W CA 0.575 57.869 57.345 -0.084 0.000 1.725 291 W CB 0.041 29.506 29.460 0.007 0.000 1.103 291 W HN 0.028 nan 8.180 nan 0.000 0.670 292 S N -0.146 115.616 115.700 0.104 0.000 2.447 292 S HA -0.157 4.309 4.470 -0.006 0.000 0.233 292 S C 1.389 176.011 174.600 0.036 0.000 1.006 292 S CA 1.168 59.411 58.200 0.071 0.000 0.957 292 S CB -0.260 62.974 63.200 0.056 0.000 0.773 292 S HN 0.314 nan 8.310 nan 0.000 0.507 293 E N 1.207 121.413 120.200 0.010 0.000 2.318 293 E HA 0.166 4.513 4.350 -0.006 0.000 0.193 293 E C 0.203 176.793 176.600 -0.017 0.000 0.998 293 E CA 0.077 56.476 56.400 -0.001 0.000 0.859 293 E CB -0.193 29.504 29.700 -0.005 0.000 0.812 293 E HN 0.352 nan 8.360 nan 0.000 0.492 294 V N 3.858 123.756 119.914 -0.027 0.000 2.521 294 V HA -0.014 4.102 4.120 -0.006 0.000 0.286 294 V C 0.737 176.806 176.094 -0.042 0.000 1.034 294 V CA -0.276 61.999 62.300 -0.043 0.000 1.045 294 V CB 0.776 32.574 31.823 -0.041 0.000 0.974 294 V HN 0.175 nan 8.190 nan 0.000 0.480 295 S N 3.007 118.675 115.700 -0.054 0.000 2.568 295 S HA 0.034 4.500 4.470 -0.006 0.000 0.282 295 S C 1.022 175.551 174.600 -0.119 0.000 1.338 295 S CA -0.134 58.031 58.200 -0.059 0.000 1.045 295 S CB 0.886 64.075 63.200 -0.018 0.000 0.873 295 S HN 0.822 nan 8.310 nan 0.000 0.516 296 E N 0.999 121.141 120.200 -0.097 0.000 2.204 296 E HA -0.193 4.153 4.350 -0.006 0.000 0.195 296 E C 1.780 178.300 176.600 -0.133 0.000 0.990 296 E CA 1.651 57.975 56.400 -0.126 0.000 0.821 296 E CB -0.259 29.396 29.700 -0.074 0.000 0.750 296 E HN 0.852 nan 8.360 nan 0.000 0.477 297 E N -0.510 119.633 120.200 -0.095 0.000 2.110 297 E HA -0.147 4.200 4.350 -0.006 0.000 0.193 297 E C 1.774 178.270 176.600 -0.173 0.000 0.988 297 E CA 1.437 57.801 56.400 -0.059 0.000 0.804 297 E CB 0.185 29.896 29.700 0.019 0.000 0.745 297 E HN 0.250 nan 8.360 nan 0.000 0.458 298 V N 1.148 120.851 119.914 -0.352 0.000 2.346 298 V HA -0.188 3.928 4.120 -0.006 0.000 0.244 298 V C 2.234 178.069 176.094 -0.432 0.000 1.037 298 V CA 1.678 63.608 62.300 -0.616 0.000 1.029 298 V CB -0.447 30.903 31.823 -0.789 0.000 0.663 298 V HN 0.170 nan 8.190 nan 0.000 0.454 299 K N -0.433 119.711 120.400 -0.427 0.000 2.113 299 K HA -0.264 4.053 4.320 -0.006 0.000 0.208 299 K C 2.148 178.578 176.600 -0.284 0.000 1.047 299 K CA 1.973 57.875 56.287 -0.642 0.000 0.928 299 K CB -0.325 31.619 32.500 -0.927 0.000 0.716 299 K HN 0.257 nan 8.250 nan 0.000 0.446 300 M N 0.782 120.272 119.600 -0.183 0.000 2.175 300 M HA -0.079 4.397 4.480 -0.006 0.000 0.264 300 M C 1.877 178.164 176.300 -0.022 0.000 1.063 300 M CA 1.134 56.404 55.300 -0.051 0.000 1.119 300 M CB -0.274 32.314 32.600 -0.020 0.000 1.377 300 M HN 0.114 nan 8.290 nan 0.000 0.415 301 L N -0.150 121.007 121.223 -0.110 0.000 2.017 301 L HA -0.101 4.236 4.340 -0.006 0.000 0.208 301 L C 2.080 178.915 176.870 -0.058 0.000 1.073 301 L CA 1.871 56.621 54.840 -0.151 0.000 0.745 301 L CB -0.727 41.051 42.059 -0.469 0.000 0.894 301 L HN 0.361 nan 8.230 nan 0.000 0.432 302 I N -0.798 119.735 120.570 -0.061 0.000 2.226 302 I HA -0.289 3.878 4.170 -0.006 0.000 0.245 302 I C 2.671 178.841 176.117 0.089 0.000 1.100 302 I CA 1.116 62.434 61.300 0.030 0.000 1.374 302 I CB -0.355 37.726 38.000 0.134 0.000 1.057 302 I HN 0.258 nan 8.210 nan 0.000 0.413 303 R N 0.494 121.107 120.500 0.187 0.000 2.127 303 R HA -0.204 4.132 4.340 -0.006 0.000 0.238 303 R C 1.852 178.245 176.300 0.155 0.000 1.134 303 R CA 1.723 57.970 56.100 0.245 0.000 0.975 303 R CB -0.288 30.150 30.300 0.230 0.000 0.865 303 R HN 0.358 nan 8.270 nan 0.000 0.447 304 N N -0.415 118.349 118.700 0.105 0.000 2.415 304 N HA 0.027 4.763 4.740 -0.006 0.000 0.176 304 N C 1.334 176.903 175.510 0.099 0.000 1.042 304 N CA 0.262 53.373 53.050 0.103 0.000 0.902 304 N CB 0.299 38.846 38.487 0.100 0.000 0.986 304 N HN 0.103 nan 8.380 nan 0.000 0.447 305 L N -0.283 120.978 121.223 0.064 0.000 2.307 305 L HA 0.130 4.467 4.340 -0.006 0.000 0.211 305 L C 0.775 177.653 176.870 0.013 0.000 1.099 305 L CA 0.488 55.350 54.840 0.037 0.000 0.816 305 L CB 0.113 42.161 42.059 -0.019 0.000 0.952 305 L HN 0.176 nan 8.230 nan 0.000 0.455 306 L N 0.064 121.256 121.223 -0.051 0.000 2.783 306 L HA 0.141 4.477 4.340 -0.006 0.000 0.236 306 L C 0.314 177.349 176.870 0.276 0.000 1.225 306 L CA -0.080 54.671 54.840 -0.148 0.000 1.026 306 L CB -0.205 41.544 42.059 -0.517 0.000 1.314 306 L HN 0.062 nan 8.230 nan 0.000 0.489 307 K N 0.418 120.982 120.400 0.273 0.000 2.350 307 K HA 0.047 4.364 4.320 -0.006 0.000 0.279 307 K C 1.455 178.230 176.600 0.293 0.000 1.027 307 K CA 0.157 56.594 56.287 0.251 0.000 0.969 307 K CB 1.350 33.941 32.500 0.153 0.000 0.954 307 K HN 0.145 nan 8.250 nan 0.000 0.474 308 T N -1.195 113.486 114.554 0.211 0.000 2.904 308 T HA -0.128 4.218 4.350 -0.006 0.000 0.267 308 T C 0.747 175.418 174.700 -0.048 0.000 1.059 308 T CA 0.480 62.622 62.100 0.070 0.000 1.137 308 T CB 0.035 68.922 68.868 0.031 0.000 0.879 308 T HN 0.479 nan 8.240 nan 0.000 0.467 309 E N 3.835 124.022 120.200 -0.020 0.000 2.166 309 E HA 0.191 4.538 4.350 -0.006 0.000 0.279 309 E C -1.439 175.101 176.600 -0.100 0.000 1.095 309 E CA -2.881 53.470 56.400 -0.081 0.000 0.888 309 E CB 1.150 30.822 29.700 -0.046 0.000 1.041 309 E HN 0.129 nan 8.360 nan 0.000 0.414 310 P HA -0.202 nan 4.420 nan 0.000 0.218 310 P C 0.954 178.181 177.300 -0.122 0.000 1.148 310 P CA 1.666 64.634 63.100 -0.221 0.000 0.822 310 P CB 0.002 31.392 31.700 -0.517 0.000 0.784 311 T N -3.589 110.886 114.554 -0.132 0.000 3.023 311 T HA -0.042 4.304 4.350 -0.006 0.000 0.266 311 T C 1.993 176.700 174.700 0.012 0.000 1.093 311 T CA 0.578 62.661 62.100 -0.028 0.000 1.129 311 T CB -0.833 68.032 68.868 -0.004 0.000 0.899 311 T HN 0.126 nan 8.240 nan 0.000 0.491 312 Q N 0.279 120.084 119.800 0.008 0.000 2.364 312 Q HA 0.110 4.447 4.340 -0.006 0.000 0.207 312 Q C 1.116 177.153 176.000 0.062 0.000 0.970 312 Q CA 0.305 56.130 55.803 0.037 0.000 0.888 312 Q CB 0.035 28.795 28.738 0.038 0.000 0.951 312 Q HN 0.499 nan 8.270 nan 0.000 0.469 313 R N 0.788 121.327 120.500 0.065 0.000 2.594 313 R HA 0.155 4.492 4.340 -0.006 0.000 0.272 313 R C 0.002 176.362 176.300 0.099 0.000 1.074 313 R CA -0.163 55.994 56.100 0.095 0.000 1.105 313 R CB 0.521 30.885 30.300 0.106 0.000 1.008 313 R HN 0.107 nan 8.270 nan 0.000 0.472 314 M N 2.784 122.454 119.600 0.117 0.000 2.249 314 M HA 0.000 4.476 4.480 -0.006 0.000 0.340 314 M C 0.165 176.548 176.300 0.138 0.000 1.166 314 M CA 0.348 55.729 55.300 0.136 0.000 1.115 314 M CB 0.767 33.471 32.600 0.173 0.000 1.606 314 M HN 0.772 nan 8.290 nan 0.000 0.448 315 T N 1.653 116.293 114.554 0.142 0.000 2.788 315 T HA 0.152 4.498 4.350 -0.006 0.000 0.287 315 T C 0.900 175.708 174.700 0.179 0.000 1.007 315 T CA -0.764 61.427 62.100 0.152 0.000 1.005 315 T CB 0.780 69.728 68.868 0.134 0.000 1.012 315 T HN 0.726 nan 8.240 nan 0.000 0.530 316 I N 1.049 121.726 120.570 0.178 0.000 2.394 316 I HA -0.053 4.114 4.170 -0.006 0.000 0.251 316 I C 2.354 178.596 176.117 0.207 0.000 1.136 316 I CA 1.700 63.087 61.300 0.145 0.000 1.425 316 I CB -0.846 37.162 38.000 0.013 0.000 1.079 316 I HN 0.906 nan 8.210 nan 0.000 0.425 317 T N 0.251 114.907 114.554 0.170 0.000 2.737 317 T HA -0.162 4.184 4.350 -0.006 0.000 0.265 317 T C 1.712 176.504 174.700 0.154 0.000 1.038 317 T CA 1.719 63.905 62.100 0.144 0.000 1.144 317 T CB -0.304 68.628 68.868 0.106 0.000 0.866 317 T HN 0.452 nan 8.240 nan 0.000 0.434 318 E N 0.294 120.592 120.200 0.163 0.000 2.160 318 E HA -0.126 4.221 4.350 -0.006 0.000 0.195 318 E C 1.801 178.530 176.600 0.215 0.000 0.991 318 E CA 0.986 57.484 56.400 0.163 0.000 0.810 318 E CB -0.274 29.522 29.700 0.159 0.000 0.742 318 E HN 0.519 nan 8.360 nan 0.000 0.466 319 F N 0.900 120.912 119.950 0.103 0.000 2.128 319 F HA -0.139 4.384 4.527 -0.006 0.000 0.295 319 F C 2.074 177.944 175.800 0.118 0.000 1.100 319 F CA 1.068 59.131 58.000 0.106 0.000 1.260 319 F CB 0.049 39.087 39.000 0.063 0.000 1.009 319 F HN -0.082 nan 8.300 nan 0.000 0.476 320 M N 0.441 120.170 119.600 0.216 0.000 2.446 320 M HA -0.139 4.337 4.480 -0.006 0.000 0.263 320 M C 1.055 177.362 176.300 0.011 0.000 1.066 320 M CA 0.995 56.343 55.300 0.081 0.000 1.087 320 M CB -1.299 31.389 32.600 0.147 0.000 1.406 320 M HN 0.232 nan 8.290 nan 0.000 0.459 321 N N -0.831 117.894 118.700 0.042 0.000 2.299 321 N HA -0.033 4.703 4.740 -0.006 0.000 0.187 321 N C 0.399 175.919 175.510 0.018 0.000 1.099 321 N CA 0.153 53.219 53.050 0.027 0.000 0.867 321 N CB -0.069 38.441 38.487 0.038 0.000 0.974 321 N HN 0.366 nan 8.380 nan 0.000 0.477 322 H N 3.233 122.254 119.070 -0.082 0.000 2.886 322 H HA 0.048 4.600 4.556 -0.006 0.000 0.329 322 H C -1.394 173.908 175.328 -0.044 0.000 1.044 322 H CA -0.970 55.040 56.048 -0.064 0.000 1.456 322 H CB 1.458 31.153 29.762 -0.112 0.000 1.464 322 H HN 0.001 nan 8.280 nan 0.000 0.573 323 P HA -0.193 nan 4.420 nan 0.000 0.218 323 P C 1.529 178.912 177.300 0.138 0.000 1.146 323 P CA 1.143 64.227 63.100 -0.027 0.000 0.813 323 P CB -0.149 31.487 31.700 -0.106 0.000 0.778 324 W N 0.455 121.881 121.300 0.210 0.000 2.402 324 W HA -0.079 4.577 4.660 -0.006 0.000 0.286 324 W C 1.934 178.433 176.519 -0.033 0.000 1.221 324 W CA 1.015 58.417 57.345 0.094 0.000 1.257 324 W CB -0.225 29.287 29.460 0.087 0.000 1.120 324 W HN -0.229 nan 8.180 nan 0.000 0.551 325 I N -0.635 119.954 120.570 0.031 0.000 2.556 325 I HA -0.202 3.964 4.170 -0.006 0.000 0.251 325 I C 2.318 178.342 176.117 -0.156 0.000 1.105 325 I CA 0.856 62.042 61.300 -0.191 0.000 1.436 325 I CB -1.394 36.409 38.000 -0.328 0.000 1.139 325 I HN -0.026 nan 8.210 nan 0.000 0.438 326 M N 0.637 120.187 119.600 -0.084 0.000 2.110 326 M HA -0.221 4.256 4.480 -0.006 0.000 0.257 326 M C 0.637 176.886 176.300 -0.085 0.000 1.071 326 M CA 1.837 57.097 55.300 -0.067 0.000 1.096 326 M CB -0.852 31.723 32.600 -0.042 0.000 1.300 326 M HN 0.252 nan 8.290 nan 0.000 0.411 327 Q N -0.369 119.373 119.800 -0.097 0.000 2.834 327 Q HA 0.220 4.557 4.340 -0.006 0.000 0.271 327 Q C 1.013 176.908 176.000 -0.174 0.000 1.196 327 Q CA -0.349 55.389 55.803 -0.107 0.000 1.063 327 Q CB 0.508 29.202 28.738 -0.074 0.000 1.265 327 Q HN 0.193 nan 8.270 nan 0.000 0.526 328 S N 0.000 115.573 115.700 -0.213 0.000 2.383 328 S HA -0.178 4.288 4.470 -0.006 0.000 0.229 328 S C 1.925 176.385 174.600 -0.233 0.000 1.030 328 S CA 1.955 59.977 58.200 -0.297 0.000 1.002 328 S CB -0.179 62.871 63.200 -0.251 0.000 0.829 328 S HN 0.773 nan 8.310 nan 0.000 0.467 329 T N 0.203 114.665 114.554 -0.154 0.000 3.160 329 T HA 0.095 4.441 4.350 -0.006 0.000 0.257 329 T C 1.104 175.744 174.700 -0.100 0.000 1.147 329 T CA 0.684 62.714 62.100 -0.116 0.000 1.064 329 T CB -0.243 68.576 68.868 -0.083 0.000 0.949 329 T HN 0.568 nan 8.240 nan 0.000 0.526 330 K N 0.992 121.328 120.400 -0.106 0.000 2.455 330 K HA 0.383 4.700 4.320 -0.006 0.000 0.206 330 K C -0.443 176.112 176.600 -0.076 0.000 1.027 330 K CA -0.402 55.840 56.287 -0.075 0.000 1.113 330 K CB 0.582 33.049 32.500 -0.055 0.000 0.850 330 K HN 0.154 nan 8.250 nan 0.000 0.503 331 V N 4.152 123.991 119.914 -0.125 0.000 2.498 331 V HA 0.251 4.367 4.120 -0.006 0.000 0.279 331 V C -2.045 174.008 176.094 -0.068 0.000 1.048 331 V CA -2.046 60.186 62.300 -0.113 0.000 0.967 331 V CB 1.001 32.643 31.823 -0.303 0.000 0.988 331 V HN 0.341 nan 8.190 nan 0.000 0.473 332 P HA -0.020 nan 4.420 nan 0.000 0.265 332 P C 0.037 177.313 177.300 -0.041 0.000 1.187 332 P CA 0.103 63.194 63.100 -0.016 0.000 0.766 332 P CB 0.577 32.284 31.700 0.012 0.000 0.820 333 Q N 0.090 119.861 119.800 -0.050 0.000 2.431 333 Q HA -0.013 4.323 4.340 -0.006 0.000 0.210 333 Q C 0.798 176.758 176.000 -0.065 0.000 0.958 333 Q CA 0.398 56.161 55.803 -0.067 0.000 0.957 333 Q CB -0.630 28.073 28.738 -0.057 0.000 1.007 333 Q HN 0.552 nan 8.270 nan 0.000 0.511 334 T N 1.972 116.497 114.554 -0.048 0.000 2.905 334 T HA 0.085 4.432 4.350 -0.006 0.000 0.299 334 T C -2.468 172.194 174.700 -0.062 0.000 1.024 334 T CA -1.127 60.948 62.100 -0.042 0.000 1.151 334 T CB 0.681 69.535 68.868 -0.023 0.000 0.987 334 T HN -0.027 nan 8.240 nan 0.000 0.535 335 P HA 0.398 nan 4.420 nan 0.000 0.278 335 P C -0.861 176.421 177.300 -0.030 0.000 1.238 335 P CA -0.786 62.282 63.100 -0.054 0.000 0.794 335 P CB 0.585 32.257 31.700 -0.048 0.000 0.955 336 L N 2.637 123.849 121.223 -0.017 0.000 2.313 336 L HA 0.347 4.683 4.340 -0.006 0.000 0.268 336 L C 1.493 178.428 176.870 0.109 0.000 1.010 336 L CA -0.552 54.313 54.840 0.043 0.000 0.814 336 L CB -0.131 41.918 42.059 -0.016 0.000 1.304 336 L HN 0.426 nan 8.230 nan 0.000 0.441 337 H N -0.825 118.195 119.070 -0.084 0.000 2.551 337 H HA 0.041 4.594 4.556 -0.006 0.000 0.266 337 H C 1.476 176.781 175.328 -0.039 0.000 0.977 337 H CA 0.762 56.779 56.048 -0.051 0.000 1.163 337 H CB -0.149 29.579 29.762 -0.057 0.000 1.381 337 H HN 0.634 nan 8.280 nan 0.000 0.581 338 T N -0.573 114.034 114.554 0.088 0.000 2.620 338 T HA -0.296 4.050 4.350 -0.006 0.000 0.267 338 T C 2.318 176.998 174.700 -0.033 0.000 1.044 338 T CA 1.891 64.001 62.100 0.017 0.000 1.161 338 T CB -0.472 68.468 68.868 0.120 0.000 0.862 338 T HN 0.380 nan 8.240 nan 0.000 0.438 339 S N 0.170 115.865 115.700 -0.008 0.000 2.374 339 S HA -0.161 4.306 4.470 -0.006 0.000 0.227 339 S C 2.193 176.756 174.600 -0.062 0.000 1.037 339 S CA 1.570 59.732 58.200 -0.062 0.000 1.024 339 S CB -0.205 62.984 63.200 -0.018 0.000 0.861 339 S HN 0.463 nan 8.310 nan 0.000 0.456 340 R N -0.090 120.389 120.500 -0.035 0.000 2.090 340 R HA 0.070 4.407 4.340 -0.006 0.000 0.219 340 R C 2.100 178.381 176.300 -0.032 0.000 1.100 340 R CA 1.159 57.239 56.100 -0.033 0.000 0.991 340 R CB -0.317 29.967 30.300 -0.026 0.000 0.893 340 R HN 0.348 nan 8.270 nan 0.000 0.443 341 V N 1.694 121.604 119.914 -0.006 0.000 2.568 341 V HA -0.227 3.889 4.120 -0.006 0.000 0.253 341 V C 2.120 178.157 176.094 -0.094 0.000 1.072 341 V CA 1.127 63.429 62.300 0.003 0.000 1.084 341 V CB -0.399 31.471 31.823 0.079 0.000 0.676 341 V HN 0.277 nan 8.190 nan 0.000 0.469 342 L N 0.575 121.698 121.223 -0.165 0.000 2.095 342 L HA -0.062 4.275 4.340 -0.006 0.000 0.204 342 L C 2.500 179.210 176.870 -0.267 0.000 1.080 342 L CA 1.888 56.537 54.840 -0.318 0.000 0.759 342 L CB -0.654 41.213 42.059 -0.319 0.000 0.914 342 L HN 0.452 nan 8.230 nan 0.000 0.439 343 K N -1.256 119.052 120.400 -0.153 0.000 2.116 343 K HA -0.133 4.183 4.320 -0.006 0.000 0.203 343 K C 1.791 178.347 176.600 -0.073 0.000 1.052 343 K CA 1.236 57.462 56.287 -0.101 0.000 0.952 343 K CB -0.482 31.980 32.500 -0.063 0.000 0.729 343 K HN 0.210 nan 8.250 nan 0.000 0.446 344 E N 0.824 120.987 120.200 -0.062 0.000 2.515 344 E HA -0.133 4.213 4.350 -0.006 0.000 0.201 344 E C 0.012 176.594 176.600 -0.030 0.000 1.071 344 E CA 0.444 56.824 56.400 -0.032 0.000 0.880 344 E CB 0.195 29.886 29.700 -0.015 0.000 0.828 344 E HN 0.212 nan 8.360 nan 0.000 0.540 345 D N -0.618 119.744 120.400 -0.063 0.000 2.908 345 D HA 0.082 4.719 4.640 -0.006 0.000 0.361 345 D C 0.494 176.774 176.300 -0.033 0.000 1.416 345 D CA -0.097 53.879 54.000 -0.039 0.000 0.796 345 D CB 0.296 41.066 40.800 -0.050 0.000 1.185 345 D HN -0.095 nan 8.370 nan 0.000 0.451 346 K N 0.261 120.654 120.400 -0.013 0.000 2.280 346 K HA -0.101 4.215 4.320 -0.006 0.000 0.202 346 K C 1.657 178.331 176.600 0.123 0.000 1.047 346 K CA 1.144 57.452 56.287 0.036 0.000 0.942 346 K CB 0.466 32.983 32.500 0.028 0.000 0.739 346 K HN 0.101 nan 8.250 nan 0.000 0.457 347 E N 0.821 121.084 120.200 0.104 0.000 1.996 347 E HA -0.202 4.145 4.350 -0.006 0.000 0.197 347 E C 1.047 177.742 176.600 0.157 0.000 1.002 347 E CA 1.414 57.881 56.400 0.111 0.000 0.840 347 E CB -0.602 29.146 29.700 0.079 0.000 0.786 347 E HN 0.422 nan 8.360 nan 0.000 0.469 348 R N 0.249 120.855 120.500 0.177 0.000 4.160 348 R HA 0.089 4.425 4.340 -0.006 0.000 0.216 348 R C 0.650 177.148 176.300 0.330 0.000 2.009 348 R CA 0.062 56.283 56.100 0.203 0.000 1.664 348 R CB -0.868 29.542 30.300 0.183 0.000 1.216 348 R HN 0.269 nan 8.270 nan 0.000 0.648 349 W N 0.915 122.238 121.300 0.038 0.000 2.075 349 W HA 0.220 4.876 4.660 -0.005 0.000 0.332 349 W C -0.636 175.905 176.519 0.036 0.000 0.905 349 W CA 0.095 57.460 57.345 0.034 0.000 2.126 349 W CB 0.667 30.143 29.460 0.027 0.000 1.143 349 W HN 0.412 nan 8.180 nan 0.000 0.542 350 E N 0.000 120.258 120.200 0.097 0.000 2.725 350 E HA 0.000 4.346 4.350 -0.006 0.000 0.291 350 E CA 0.000 56.430 56.400 0.049 0.000 0.976 350 E CB 0.000 29.744 29.700 0.074 0.000 0.812 350 E HN 0.000 nan 8.360 nan 0.000 0.440