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 1p9a_1_G DATA FIRST_RESID 1 DATA SEQUENCE HPIcEVSKVA SHLEVNcDKR NLTALPPDLP KDTTILHLSE NLLYTFSLAT DATA SEQUENCE LMPYTRLTQL NLDRAELTKL QVDGTLPVLG TLDLSHNQLQ SLPLLGQTLP DATA SEQUENCE ALTVLDVSFN RLTSLPLGAL RGLGELQELY LKGNELKTLP PGLLTPTPKL DATA SEQUENCE EKLSLANNNL TELPAGLLNG LENLDTLLLQ ENSLYTIPKG FFGSHLLPFA DATA SEQUENCE FLHGNPWLcN cEILYFRRWL QDNAENVYVW KQGVDVKAMT SNVASVQcDN DATA SEQUENCE SDKFPVYKYP GKGcPT 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 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.339 175.328 0.018 0.000 0.993 1 H CA 0.000 56.063 56.048 0.026 0.000 1.023 1 H CB 0.000 29.779 29.762 0.029 0.000 1.292 2 P HA 0.085 nan 4.420 nan 0.000 0.220 2 P C 1.649 178.976 177.300 0.046 0.000 1.152 2 P CA 1.000 64.149 63.100 0.082 0.000 0.812 2 P CB 0.181 31.925 31.700 0.073 0.000 0.792 3 I N -1.640 118.950 120.570 0.034 0.000 2.286 3 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 3 I C 0.813 176.933 176.117 0.005 0.000 1.104 3 I CA 0.736 62.044 61.300 0.015 0.000 1.397 3 I CB -0.386 37.618 38.000 0.007 0.000 1.072 3 I HN -0.020 nan 8.210 nan 0.000 0.417 4 c N 0.114 118.714 118.600 -0.001 0.000 2.486 4 c HA 0.460 5.030 4.570 -0.000 0.000 0.348 4 c C 0.412 174.506 174.090 0.006 0.000 1.203 4 c CA -0.746 55.579 56.329 -0.007 0.000 1.911 4 c CB 1.467 43.961 42.510 -0.026 0.000 2.340 4 c HN 0.244 nan 8.230 nan 0.000 0.511 5 E N 0.698 120.899 120.200 0.002 0.000 2.259 5 E HA 0.536 4.886 4.350 -0.000 0.000 0.281 5 E C -1.112 175.500 176.600 0.020 0.000 1.027 5 E CA 0.008 56.414 56.400 0.010 0.000 0.838 5 E CB 0.638 30.335 29.700 -0.005 0.000 1.066 5 E HN 0.442 nan 8.360 nan 0.000 0.401 6 V N 3.937 123.873 119.914 0.037 0.000 2.604 6 V HA 0.594 4.714 4.120 -0.000 0.000 0.305 6 V C -0.690 175.433 176.094 0.048 0.000 1.043 6 V CA -0.686 61.644 62.300 0.049 0.000 0.888 6 V CB 1.812 33.685 31.823 0.084 0.000 0.995 6 V HN 0.797 nan 8.190 nan 0.000 0.429 7 S N 3.522 119.253 115.700 0.052 0.000 2.672 7 S HA 0.696 5.166 4.470 -0.000 0.000 0.291 7 S C -0.700 173.945 174.600 0.075 0.000 1.145 7 S CA -0.816 57.418 58.200 0.056 0.000 1.013 7 S CB 2.128 65.358 63.200 0.050 0.000 1.017 7 S HN 0.748 nan 8.310 nan 0.000 0.487 8 K N 1.723 122.165 120.400 0.070 0.000 2.415 8 K HA 0.806 5.126 4.320 -0.000 0.000 0.275 8 K C -1.038 175.604 176.600 0.071 0.000 1.019 8 K CA -0.833 55.502 56.287 0.080 0.000 1.173 8 K CB 0.822 33.361 32.500 0.065 0.000 1.602 8 K HN 0.866 nan 8.250 nan 0.000 0.717 9 V N 0.215 120.163 119.914 0.056 0.000 3.288 9 V HA -0.169 3.951 4.120 -0.000 0.000 0.473 9 V C 0.475 176.581 176.094 0.022 0.000 0.682 9 V CA 0.471 62.792 62.300 0.035 0.000 2.015 9 V CB -1.743 30.097 31.823 0.028 0.000 2.472 9 V HN 1.253 nan 8.190 nan 0.000 0.499 10 A N 3.287 126.111 122.820 0.005 0.000 5.273 10 A HA -0.381 3.939 4.320 -0.000 0.000 0.350 10 A C 2.297 179.848 177.584 -0.054 0.000 1.652 10 A CA 3.953 55.978 52.037 -0.021 0.000 0.709 10 A CB -1.988 16.993 19.000 -0.033 0.000 1.486 10 A HN 2.730 nan 8.150 nan 0.000 0.411 11 S N -0.046 115.570 115.700 -0.140 0.000 2.513 11 S HA -0.344 4.126 4.470 -0.000 0.000 0.311 11 S C 0.847 175.243 174.600 -0.341 0.000 1.227 11 S CA 3.499 61.481 58.200 -0.364 0.000 1.234 11 S CB -0.604 62.226 63.200 -0.615 0.000 1.244 11 S HN 2.152 nan 8.310 nan 0.000 0.445 12 H N -3.209 115.876 119.070 0.026 0.000 2.963 12 H HA 0.483 5.039 4.556 -0.000 0.000 0.255 12 H C -1.720 173.628 175.328 0.034 0.000 1.516 12 H CA -0.830 55.236 56.048 0.029 0.000 1.181 12 H CB 0.024 29.802 29.762 0.027 0.000 1.900 12 H HN 0.347 nan 8.280 nan 0.000 0.686 13 L N 1.957 123.300 121.223 0.201 0.000 2.316 13 L HA 0.354 4.694 4.340 -0.000 0.000 0.280 13 L C -0.418 176.442 176.870 -0.016 0.000 1.006 13 L CA -0.011 54.884 54.840 0.091 0.000 0.836 13 L CB 1.406 43.514 42.059 0.082 0.000 1.221 13 L HN 0.661 nan 8.230 nan 0.000 0.418 14 E N 3.715 123.913 120.200 -0.004 0.000 2.156 14 E HA 0.523 4.873 4.350 -0.000 0.000 0.279 14 E C -1.521 175.092 176.600 0.022 0.000 0.965 14 E CA -0.653 55.727 56.400 -0.033 0.000 0.789 14 E CB 1.487 31.191 29.700 0.008 0.000 1.098 14 E HN 0.468 nan 8.360 nan 0.000 0.397 15 V N 5.034 124.954 119.914 0.010 0.000 2.357 15 V HA 0.207 4.327 4.120 -0.000 0.000 0.284 15 V C -0.166 175.964 176.094 0.061 0.000 1.018 15 V CA -0.948 61.358 62.300 0.010 0.000 0.841 15 V CB 1.342 33.134 31.823 -0.051 0.000 0.991 15 V HN 0.582 nan 8.190 nan 0.000 0.437 16 N N 3.658 122.385 118.700 0.045 0.000 2.485 16 N HA 0.249 4.989 4.740 -0.000 0.000 0.243 16 N C -0.141 175.370 175.510 0.001 0.000 0.987 16 N CA -0.343 52.727 53.050 0.032 0.000 0.940 16 N CB 1.177 39.639 38.487 -0.043 0.000 1.122 16 N HN 0.653 nan 8.380 nan 0.000 0.509 17 c N 2.029 120.633 118.600 0.006 0.000 2.647 17 c HA 0.316 4.886 4.570 -0.000 0.000 0.296 17 c C -0.118 173.959 174.090 -0.022 0.000 1.403 17 c CA -0.701 55.617 56.329 -0.017 0.000 1.781 17 c CB -1.473 41.019 42.510 -0.031 0.000 2.464 17 c HN 0.581 nan 8.230 nan 0.000 0.559 18 D N 1.844 122.229 120.400 -0.025 0.000 2.399 18 D HA 0.078 4.718 4.640 -0.000 0.000 0.241 18 D C 0.530 176.806 176.300 -0.041 0.000 1.133 18 D CA 0.686 54.662 54.000 -0.039 0.000 0.890 18 D CB 0.475 41.240 40.800 -0.058 0.000 1.201 18 D HN 0.104 nan 8.370 nan 0.000 0.432 19 K N 1.528 121.902 120.400 -0.044 0.000 3.257 19 K HA -0.246 4.074 4.320 -0.000 0.000 0.270 19 K C -0.071 176.512 176.600 -0.028 0.000 0.984 19 K CA 0.479 56.742 56.287 -0.039 0.000 0.739 19 K CB -0.965 31.510 32.500 -0.042 0.000 1.351 19 K HN 0.541 nan 8.250 nan 0.000 0.463 20 R N 0.482 120.968 120.500 -0.023 0.000 2.659 20 R HA 0.125 4.465 4.340 -0.000 0.000 0.418 20 R C 0.144 176.442 176.300 -0.004 0.000 1.076 20 R CA -0.479 55.614 56.100 -0.012 0.000 1.093 20 R CB 0.350 30.644 30.300 -0.011 0.000 1.400 20 R HN 0.252 nan 8.270 nan 0.000 0.583 21 N N 1.036 119.733 118.700 -0.005 0.000 2.681 21 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 21 N C -0.408 175.113 175.510 0.019 0.000 1.133 21 N CA 0.945 54.000 53.050 0.008 0.000 0.732 21 N CB -1.091 37.406 38.487 0.016 0.000 1.107 21 N HN 0.346 nan 8.380 nan 0.000 0.559 22 L N 0.672 121.901 121.223 0.011 0.000 2.453 22 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 22 L C 1.933 178.828 176.870 0.042 0.000 1.182 22 L CA 0.595 55.450 54.840 0.025 0.000 0.858 22 L CB 0.594 42.664 42.059 0.018 0.000 1.120 22 L HN 0.201 nan 8.230 nan 0.000 0.474 23 T N -1.549 113.046 114.554 0.068 0.000 3.044 23 T HA 0.571 4.921 4.350 -0.000 0.000 0.260 23 T C 0.210 174.981 174.700 0.119 0.000 1.019 23 T CA 0.212 62.372 62.100 0.100 0.000 0.921 23 T CB 0.553 69.486 68.868 0.109 0.000 1.053 23 T HN 0.673 nan 8.240 nan 0.000 0.533 24 A N 0.633 123.520 122.820 0.113 0.000 2.564 24 A HA 0.674 4.994 4.320 -0.000 0.000 0.291 24 A C -1.644 176.025 177.584 0.142 0.000 1.102 24 A CA -1.029 51.089 52.037 0.135 0.000 0.660 24 A CB 0.373 19.414 19.000 0.067 0.000 1.283 24 A HN 0.326 nan 8.150 nan 0.000 0.430 25 L N 1.476 122.796 121.223 0.162 0.000 2.462 25 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 25 L C -2.177 174.731 176.870 0.063 0.000 1.166 25 L CA -0.878 54.047 54.840 0.141 0.000 0.880 25 L CB 0.000 42.138 42.059 0.131 0.000 1.142 25 L HN 0.411 nan 8.230 nan 0.000 0.473 26 P HA 0.140 nan 4.420 nan 0.000 0.267 26 P C -2.073 175.246 177.300 0.032 0.000 1.209 26 P CA -0.921 62.191 63.100 0.019 0.000 0.763 26 P CB 0.229 31.923 31.700 -0.009 0.000 0.816 27 P HA -0.122 nan 4.420 nan 0.000 0.228 27 P C -0.384 176.958 177.300 0.070 0.000 1.151 27 P CA 1.042 64.182 63.100 0.067 0.000 0.770 27 P CB -0.043 31.685 31.700 0.048 0.000 0.786 28 D N 0.245 120.662 120.400 0.030 0.000 2.518 28 D HA 0.409 5.049 4.640 -0.000 0.000 0.230 28 D C -0.351 175.856 176.300 -0.156 0.000 1.138 28 D CA -0.433 53.561 54.000 -0.009 0.000 0.964 28 D CB -0.134 40.678 40.800 0.019 0.000 1.011 28 D HN 0.070 nan 8.370 nan 0.000 0.517 29 L N 1.354 122.519 121.223 -0.096 0.000 2.431 29 L HA 0.493 4.833 4.340 -0.000 0.000 0.266 29 L C -2.433 174.441 176.870 0.007 0.000 0.978 29 L CA -2.591 52.151 54.840 -0.163 0.000 0.822 29 L CB 2.643 44.621 42.059 -0.134 0.000 1.310 29 L HN 0.031 nan 8.230 nan 0.000 0.409 30 P HA -0.005 nan 4.420 nan 0.000 0.260 30 P C 0.045 177.514 177.300 0.282 0.000 1.185 30 P CA -0.104 63.114 63.100 0.196 0.000 0.763 30 P CB 0.431 32.242 31.700 0.184 0.000 0.776 31 K N 2.016 122.542 120.400 0.210 0.000 2.280 31 K HA -0.105 4.215 4.320 -0.000 0.000 0.202 31 K C 0.478 177.169 176.600 0.151 0.000 1.047 31 K CA 1.356 57.706 56.287 0.104 0.000 0.942 31 K CB -0.153 32.334 32.500 -0.023 0.000 0.739 31 K HN 0.503 nan 8.250 nan 0.000 0.457 32 D N 0.805 121.295 120.400 0.149 0.000 2.358 32 D HA 0.010 4.650 4.640 -0.000 0.000 0.224 32 D C -0.255 176.117 176.300 0.121 0.000 1.123 32 D CA 0.119 54.191 54.000 0.119 0.000 0.833 32 D CB 0.238 41.091 40.800 0.089 0.000 0.946 32 D HN -0.030 nan 8.370 nan 0.000 0.505 33 T N 0.668 115.311 114.554 0.148 0.000 2.908 33 T HA 0.035 4.385 4.350 -0.000 0.000 0.301 33 T C 1.734 176.455 174.700 0.035 0.000 1.019 33 T CA 0.594 62.733 62.100 0.065 0.000 1.152 33 T CB 1.177 70.043 68.868 -0.004 0.000 0.966 33 T HN 0.224 nan 8.240 nan 0.000 0.540 34 T N 0.375 114.918 114.554 -0.019 0.000 3.000 34 T HA 0.342 4.692 4.350 -0.000 0.000 0.248 34 T C 0.514 175.130 174.700 -0.140 0.000 1.034 34 T CA -0.026 62.048 62.100 -0.044 0.000 1.060 34 T CB 0.191 69.058 68.868 -0.002 0.000 0.983 34 T HN 0.509 nan 8.240 nan 0.000 0.482 35 I N 1.737 122.177 120.570 -0.216 0.000 2.499 35 I HA 0.566 4.736 4.170 -0.000 0.000 0.288 35 I C -1.711 174.250 176.117 -0.259 0.000 1.048 35 I CA -1.328 59.804 61.300 -0.280 0.000 1.062 35 I CB 2.497 40.279 38.000 -0.364 0.000 1.238 35 I HN 0.083 nan 8.210 nan 0.000 0.426 36 L N 6.778 127.812 121.223 -0.315 0.000 2.376 36 L HA 0.502 4.842 4.340 -0.000 0.000 0.275 36 L C -1.067 175.590 176.870 -0.355 0.000 0.987 36 L CA -0.129 54.551 54.840 -0.267 0.000 0.828 36 L CB 1.119 43.044 42.059 -0.224 0.000 1.249 36 L HN 0.443 nan 8.230 nan 0.000 0.409 37 H N 7.118 126.119 119.070 -0.115 0.000 2.541 37 H HA 0.414 4.970 4.556 -0.000 0.000 0.316 37 H C -0.218 175.040 175.328 -0.116 0.000 1.043 37 H CA -0.273 55.710 56.048 -0.108 0.000 1.232 37 H CB 2.035 31.745 29.762 -0.086 0.000 1.406 37 H HN 0.648 nan 8.280 nan 0.000 0.469 38 L N 2.236 123.430 121.223 -0.050 0.000 3.267 38 L HA 0.135 4.475 4.340 -0.000 0.000 0.289 38 L C 0.397 177.210 176.870 -0.094 0.000 1.260 38 L CA -0.052 54.731 54.840 -0.095 0.000 1.034 38 L CB 0.502 42.446 42.059 -0.191 0.000 1.413 38 L HN 0.334 nan 8.230 nan 0.000 0.594 39 S N 0.471 116.142 115.700 -0.048 0.000 2.576 39 S HA 0.059 4.529 4.470 -0.000 0.000 0.272 39 S C 0.740 175.300 174.600 -0.067 0.000 1.352 39 S CA -0.298 57.868 58.200 -0.056 0.000 1.021 39 S CB 0.524 63.707 63.200 -0.027 0.000 0.887 39 S HN 0.341 nan 8.310 nan 0.000 0.542 40 E N 0.103 120.257 120.200 -0.076 0.000 2.586 40 E HA -0.211 4.139 4.350 -0.000 0.000 0.259 40 E C -0.339 176.216 176.600 -0.075 0.000 1.107 40 E CA 0.529 56.883 56.400 -0.077 0.000 0.754 40 E CB -1.661 27.998 29.700 -0.070 0.000 1.335 40 E HN 0.544 nan 8.360 nan 0.000 0.411 41 N N -0.207 118.438 118.700 -0.091 0.000 2.879 41 N HA 0.500 5.240 4.740 -0.000 0.000 0.329 41 N C 0.554 175.987 175.510 -0.128 0.000 1.337 41 N CA -0.603 52.397 53.050 -0.083 0.000 0.844 41 N CB 0.575 39.020 38.487 -0.069 0.000 1.236 41 N HN -0.034 nan 8.380 nan 0.000 0.601 42 L N 1.830 122.986 121.223 -0.112 0.000 2.825 42 L HA 0.406 4.746 4.340 -0.000 0.000 0.236 42 L C -0.263 176.490 176.870 -0.196 0.000 1.301 42 L CA -0.027 54.684 54.840 -0.216 0.000 0.977 42 L CB 0.046 42.106 42.059 0.001 0.000 1.300 42 L HN 0.167 nan 8.230 nan 0.000 0.486 43 L N 0.288 121.379 121.223 -0.220 0.000 2.719 43 L HA 0.162 4.502 4.340 -0.000 0.000 0.236 43 L C 0.909 177.739 176.870 -0.066 0.000 1.285 43 L CA -0.357 54.451 54.840 -0.053 0.000 1.222 43 L CB -0.474 41.566 42.059 -0.031 0.000 1.493 43 L HN 0.400 nan 8.230 nan 0.000 0.415 44 Y N -0.356 119.980 120.300 0.059 0.000 2.193 44 Y HA -0.193 4.357 4.550 -0.000 0.000 0.285 44 Y C 1.697 177.638 175.900 0.067 0.000 1.166 44 Y CA 1.211 59.341 58.100 0.050 0.000 1.181 44 Y CB 0.016 38.499 38.460 0.037 0.000 0.976 44 Y HN 0.377 nan 8.280 nan 0.000 0.520 45 T N -0.988 113.704 114.554 0.230 0.000 2.893 45 T HA 0.523 4.873 4.350 -0.000 0.000 0.293 45 T C -1.787 173.051 174.700 0.230 0.000 1.027 45 T CA -0.574 61.635 62.100 0.180 0.000 0.988 45 T CB 0.826 69.771 68.868 0.129 0.000 1.043 45 T HN -0.042 nan 8.240 nan 0.000 0.461 46 F N 2.611 122.577 119.950 0.027 0.000 2.628 46 F HA 0.636 5.163 4.527 -0.000 0.000 0.309 46 F C -0.843 174.964 175.800 0.013 0.000 1.108 46 F CA -0.585 57.423 58.000 0.014 0.000 0.971 46 F CB 2.179 41.178 39.000 -0.001 0.000 1.279 46 F HN 0.484 nan 8.300 nan 0.000 0.441 47 S N 5.938 121.253 115.700 -0.642 0.000 2.456 47 S HA 0.438 4.908 4.470 -0.000 0.000 0.316 47 S C 0.831 175.181 174.600 -0.418 0.000 1.089 47 S CA -0.674 57.309 58.200 -0.361 0.000 1.101 47 S CB 0.801 63.843 63.200 -0.263 0.000 0.995 47 S HN 0.798 nan 8.310 nan 0.000 0.468 48 L N 4.230 125.412 121.223 -0.068 0.000 2.131 48 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 48 L C 2.785 179.652 176.870 -0.006 0.000 1.092 48 L CA 1.444 56.317 54.840 0.055 0.000 0.759 48 L CB -0.627 41.493 42.059 0.100 0.000 0.903 48 L HN 0.832 nan 8.230 nan 0.000 0.435 49 A N 0.174 122.966 122.820 -0.047 0.000 2.076 49 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 49 A C 2.358 179.921 177.584 -0.035 0.000 1.160 49 A CA 2.034 54.052 52.037 -0.031 0.000 0.653 49 A CB -0.882 18.095 19.000 -0.039 0.000 0.801 49 A HN 0.546 nan 8.150 nan 0.000 0.455 50 T N -2.434 112.061 114.554 -0.098 0.000 3.051 50 T HA 0.086 4.436 4.350 -0.000 0.000 0.269 50 T C 1.343 176.091 174.700 0.079 0.000 1.127 50 T CA 1.149 63.210 62.100 -0.064 0.000 1.107 50 T CB -0.349 68.403 68.868 -0.194 0.000 0.898 50 T HN 0.338 nan 8.240 nan 0.000 0.517 51 L N -0.423 120.867 121.223 0.112 0.000 2.607 51 L HA 0.377 4.717 4.340 -0.000 0.000 0.228 51 L C 2.480 179.504 176.870 0.257 0.000 1.123 51 L CA -0.073 54.925 54.840 0.263 0.000 0.890 51 L CB -0.368 41.806 42.059 0.191 0.000 1.103 51 L HN 0.232 nan 8.230 nan 0.000 0.468 52 M N 0.267 119.938 119.600 0.117 0.000 2.195 52 M HA -0.164 4.316 4.480 -0.000 0.000 0.260 52 M C -0.411 175.890 176.300 0.002 0.000 1.066 52 M CA 1.964 57.298 55.300 0.056 0.000 1.089 52 M CB -1.298 31.312 32.600 0.017 0.000 1.377 52 M HN 0.111 nan 8.290 nan 0.000 0.411 53 P HA -0.120 nan 4.420 nan 0.000 0.222 53 P C -0.409 176.626 177.300 -0.443 0.000 1.147 53 P CA 1.082 63.997 63.100 -0.307 0.000 0.790 53 P CB -0.099 31.318 31.700 -0.472 0.000 0.780 54 Y N -0.180 120.124 120.300 0.008 0.000 2.802 54 Y HA 0.134 4.684 4.550 -0.000 0.000 0.330 54 Y C 1.769 177.675 175.900 0.010 0.000 1.193 54 Y CA -0.361 57.744 58.100 0.009 0.000 1.427 54 Y CB -0.735 37.729 38.460 0.007 0.000 1.357 54 Y HN -0.069 nan 8.280 nan 0.000 0.501 55 T N -2.170 112.419 114.554 0.057 0.000 3.025 55 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 55 T C 1.410 176.146 174.700 0.060 0.000 1.126 55 T CA 1.018 63.146 62.100 0.047 0.000 1.105 55 T CB -0.026 68.851 68.868 0.014 0.000 0.884 55 T HN 0.538 nan 8.240 nan 0.000 0.522 56 R N -0.156 120.391 120.500 0.079 0.000 2.432 56 R HA 0.382 4.722 4.340 -0.000 0.000 0.260 56 R C -0.173 176.165 176.300 0.064 0.000 0.935 56 R CA -0.472 55.669 56.100 0.068 0.000 1.080 56 R CB 0.074 30.416 30.300 0.070 0.000 1.155 56 R HN 0.283 nan 8.270 nan 0.000 0.531 57 L N 2.221 123.490 121.223 0.076 0.000 2.530 57 L HA 0.003 4.343 4.340 -0.000 0.000 0.273 57 L C 1.122 178.003 176.870 0.018 0.000 1.141 57 L CA 0.979 55.842 54.840 0.038 0.000 0.905 57 L CB 0.989 43.081 42.059 0.055 0.000 1.202 57 L HN 0.124 nan 8.230 nan 0.000 0.473 58 T N 0.888 115.439 114.554 -0.005 0.000 2.971 58 T HA 0.161 4.511 4.350 -0.000 0.000 0.252 58 T C 0.537 175.222 174.700 -0.025 0.000 1.022 58 T CA -0.032 62.068 62.100 0.000 0.000 0.980 58 T CB 0.044 68.927 68.868 0.024 0.000 1.044 58 T HN 0.573 nan 8.240 nan 0.000 0.501 59 Q N 0.403 120.160 119.800 -0.072 0.000 2.285 59 Q HA 0.628 4.968 4.340 -0.000 0.000 0.269 59 Q C -2.362 173.541 176.000 -0.162 0.000 1.030 59 Q CA -1.029 54.711 55.803 -0.105 0.000 0.788 59 Q CB 2.144 30.806 28.738 -0.127 0.000 1.266 59 Q HN 0.319 nan 8.270 nan 0.000 0.438 60 L N 3.738 124.877 121.223 -0.140 0.000 2.376 60 L HA 0.566 4.906 4.340 -0.000 0.000 0.275 60 L C -1.884 174.883 176.870 -0.172 0.000 0.987 60 L CA -0.117 54.621 54.840 -0.170 0.000 0.828 60 L CB 1.932 43.925 42.059 -0.110 0.000 1.249 60 L HN 0.612 nan 8.230 nan 0.000 0.409 61 N N 5.414 123.984 118.700 -0.216 0.000 2.476 61 N HA 0.495 5.235 4.740 -0.000 0.000 0.257 61 N C -0.364 175.052 175.510 -0.156 0.000 0.970 61 N CA -0.287 52.677 53.050 -0.144 0.000 0.938 61 N CB 1.458 39.896 38.487 -0.081 0.000 1.144 61 N HN 0.596 nan 8.380 nan 0.000 0.500 62 L N 1.283 122.407 121.223 -0.164 0.000 3.110 62 L HA 0.239 4.579 4.340 -0.000 0.000 0.266 62 L C -0.003 176.789 176.870 -0.130 0.000 1.257 62 L CA -0.466 54.242 54.840 -0.220 0.000 1.038 62 L CB -0.366 41.497 42.059 -0.327 0.000 1.395 62 L HN 0.540 nan 8.230 nan 0.000 0.566 63 D N 0.549 120.908 120.400 -0.067 0.000 2.339 63 D HA 0.078 4.718 4.640 -0.000 0.000 0.245 63 D C 0.301 176.588 176.300 -0.022 0.000 1.115 63 D CA -0.483 53.510 54.000 -0.011 0.000 0.917 63 D CB 0.770 41.594 40.800 0.040 0.000 1.192 63 D HN 0.052 nan 8.370 nan 0.000 0.428 64 R N -0.101 120.409 120.500 0.017 0.000 3.516 64 R HA -0.156 4.184 4.340 -0.000 0.000 0.271 64 R C 0.028 176.284 176.300 -0.073 0.000 1.098 64 R CA 0.813 56.899 56.100 -0.023 0.000 0.732 64 R CB -2.150 28.106 30.300 -0.073 0.000 1.152 64 R HN 0.581 nan 8.270 nan 0.000 0.455 65 A N 0.648 123.411 122.820 -0.095 0.000 2.606 65 A HA 0.220 4.540 4.320 -0.000 0.000 0.290 65 A C 0.486 177.929 177.584 -0.236 0.000 1.174 65 A CA -0.217 51.727 52.037 -0.155 0.000 0.958 65 A CB 0.408 19.311 19.000 -0.161 0.000 1.194 65 A HN 0.327 nan 8.150 nan 0.000 0.526 66 E N -1.506 118.570 120.200 -0.208 0.000 2.883 66 E HA -0.225 4.125 4.350 -0.000 0.000 0.271 66 E C -0.035 176.435 176.600 -0.216 0.000 1.049 66 E CA 0.586 56.818 56.400 -0.279 0.000 0.817 66 E CB -2.065 27.216 29.700 -0.698 0.000 1.407 66 E HN 0.569 nan 8.360 nan 0.000 0.434 67 L N 1.039 122.191 121.223 -0.118 0.000 2.562 67 L HA 0.017 4.357 4.340 -0.000 0.000 0.271 67 L C 1.249 178.132 176.870 0.022 0.000 1.167 67 L CA 1.387 56.203 54.840 -0.040 0.000 0.917 67 L CB 0.600 42.636 42.059 -0.038 0.000 1.187 67 L HN 0.058 nan 8.230 nan 0.000 0.482 68 T N 3.560 118.159 114.554 0.075 0.000 3.026 68 T HA 0.205 4.555 4.350 -0.000 0.000 0.245 68 T C 0.090 174.837 174.700 0.079 0.000 1.004 68 T CA 0.300 62.455 62.100 0.092 0.000 1.069 68 T CB 0.284 69.240 68.868 0.147 0.000 1.005 68 T HN 0.443 nan 8.240 nan 0.000 0.472 69 K N 1.546 122.001 120.400 0.092 0.000 2.545 69 K HA 0.504 4.824 4.320 -0.000 0.000 0.252 69 K C -1.844 174.813 176.600 0.095 0.000 0.948 69 K CA -0.695 55.639 56.287 0.079 0.000 0.827 69 K CB 2.472 35.014 32.500 0.071 0.000 1.128 69 K HN -0.018 nan 8.250 nan 0.000 0.429 70 L N 3.365 124.639 121.223 0.084 0.000 2.262 70 L HA 0.225 4.565 4.340 -0.000 0.000 0.288 70 L C -0.563 176.354 176.870 0.077 0.000 1.035 70 L CA 0.004 54.910 54.840 0.109 0.000 0.820 70 L CB 1.093 43.211 42.059 0.098 0.000 1.204 70 L HN 0.486 nan 8.230 nan 0.000 0.424 71 Q N 4.195 124.036 119.800 0.067 0.000 2.295 71 Q HA 0.337 4.677 4.340 -0.000 0.000 0.259 71 Q C -0.708 175.310 176.000 0.031 0.000 0.976 71 Q CA -0.402 55.418 55.803 0.029 0.000 0.923 71 Q CB 1.634 30.369 28.738 -0.004 0.000 1.185 71 Q HN 0.516 nan 8.270 nan 0.000 0.410 72 V N 4.341 124.271 119.914 0.026 0.000 2.217 72 V HA 0.050 4.170 4.120 -0.000 0.000 0.264 72 V C -0.396 175.706 176.094 0.013 0.000 1.107 72 V CA -0.207 62.109 62.300 0.027 0.000 0.913 72 V CB 0.237 32.075 31.823 0.027 0.000 1.153 72 V HN 0.735 nan 8.190 nan 0.000 0.469 73 D N 2.753 123.156 120.400 0.005 0.000 2.256 73 D HA 0.231 4.871 4.640 -0.000 0.000 0.279 73 D C 1.818 178.120 176.300 0.003 0.000 1.209 73 D CA 0.770 54.770 54.000 -0.002 0.000 0.946 73 D CB -0.471 40.320 40.800 -0.014 0.000 0.914 73 D HN 0.457 nan 8.370 nan 0.000 0.278 74 G N -0.737 108.064 108.800 0.001 0.000 2.355 74 G HA2 0.238 4.198 3.960 -0.000 0.000 0.175 74 G HA3 0.238 4.198 3.960 -0.000 0.000 0.175 74 G C -0.278 174.629 174.900 0.011 0.000 1.624 74 G CA 0.576 45.678 45.100 0.004 0.000 1.021 74 G HN 0.350 nan 8.290 nan 0.000 0.465 75 T N 0.039 114.602 114.554 0.014 0.000 2.952 75 T HA 0.488 4.838 4.350 -0.000 0.000 0.305 75 T C -0.533 174.183 174.700 0.026 0.000 1.064 75 T CA -0.391 61.720 62.100 0.018 0.000 1.008 75 T CB 1.642 70.518 68.868 0.013 0.000 1.078 75 T HN 0.289 nan 8.240 nan 0.000 0.459 76 L N 4.662 125.904 121.223 0.032 0.000 2.435 76 L HA 0.302 4.642 4.340 -0.000 0.000 0.253 76 L C -1.279 175.609 176.870 0.031 0.000 1.087 76 L CA -2.044 52.820 54.840 0.040 0.000 0.950 76 L CB 1.268 43.357 42.059 0.050 0.000 1.304 76 L HN 0.430 nan 8.230 nan 0.000 0.453 77 P HA -0.185 nan 4.420 nan 0.000 0.218 77 P C 1.062 178.376 177.300 0.023 0.000 1.146 77 P CA 1.374 64.487 63.100 0.022 0.000 0.813 77 P CB 0.292 32.003 31.700 0.019 0.000 0.778 78 V N -4.952 114.979 119.914 0.028 0.000 3.528 78 V HA 0.270 4.390 4.120 -0.000 0.000 0.294 78 V C 0.736 176.847 176.094 0.027 0.000 1.404 78 V CA -0.665 61.651 62.300 0.028 0.000 1.065 78 V CB -0.816 31.027 31.823 0.032 0.000 0.904 78 V HN -0.150 nan 8.190 nan 0.000 0.435 79 L N 2.914 124.153 121.223 0.026 0.000 2.477 79 L HA 0.602 4.942 4.340 -0.000 0.000 0.272 79 L C 1.328 178.209 176.870 0.017 0.000 1.157 79 L CA 1.330 56.181 54.840 0.020 0.000 0.889 79 L CB 0.975 43.047 42.059 0.022 0.000 1.158 79 L HN 0.229 nan 8.230 nan 0.000 0.473 80 G N 2.757 111.565 108.800 0.015 0.000 2.709 80 G HA2 0.083 4.042 3.960 -0.000 0.000 0.208 80 G HA3 0.083 4.042 3.960 -0.000 0.000 0.208 80 G C 0.248 175.159 174.900 0.019 0.000 1.129 80 G CA 0.246 45.357 45.100 0.019 0.000 0.793 80 G HN 0.547 nan 8.290 nan 0.000 0.524 81 T N 0.507 115.066 114.554 0.009 0.000 2.848 81 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 81 T C -1.778 172.918 174.700 -0.007 0.000 0.995 81 T CA -0.315 61.791 62.100 0.011 0.000 0.970 81 T CB 2.443 71.317 68.868 0.010 0.000 0.976 81 T HN 0.062 nan 8.240 nan 0.000 0.441 82 L N 3.445 124.671 121.223 0.005 0.000 2.406 82 L HA 0.575 4.915 4.340 -0.000 0.000 0.270 82 L C -1.426 175.444 176.870 0.000 0.000 0.982 82 L CA -0.467 54.367 54.840 -0.010 0.000 0.843 82 L CB 1.579 43.638 42.059 0.000 0.000 1.225 82 L HN 0.488 nan 8.230 nan 0.000 0.412 83 D N 5.002 125.389 120.400 -0.022 0.000 2.392 83 D HA 0.344 4.984 4.640 -0.000 0.000 0.228 83 D C 0.030 176.315 176.300 -0.024 0.000 1.074 83 D CA -0.076 53.919 54.000 -0.008 0.000 0.838 83 D CB 1.154 41.949 40.800 -0.009 0.000 1.067 83 D HN 0.659 nan 8.370 nan 0.000 0.511 84 L N 2.604 123.822 121.223 -0.009 0.000 3.014 84 L HA 0.134 4.474 4.340 -0.000 0.000 0.263 84 L C 0.945 177.815 176.870 -0.001 0.000 1.207 84 L CA -0.376 54.453 54.840 -0.018 0.000 1.017 84 L CB 0.187 42.237 42.059 -0.015 0.000 1.360 84 L HN 0.264 nan 8.230 nan 0.000 0.560 85 S N -0.902 114.809 115.700 0.018 0.000 2.573 85 S HA 0.047 4.517 4.470 -0.000 0.000 0.277 85 S C 0.640 175.287 174.600 0.079 0.000 1.346 85 S CA -0.094 58.112 58.200 0.010 0.000 1.034 85 S CB 0.136 63.355 63.200 0.032 0.000 0.879 85 S HN 0.482 nan 8.310 nan 0.000 0.528 86 H N 0.376 119.506 119.070 0.101 0.000 2.748 86 H HA -0.110 4.446 4.556 0.000 0.000 0.322 86 H C -0.247 175.088 175.328 0.012 0.000 1.208 86 H CA 0.852 56.934 56.048 0.056 0.000 1.151 86 H CB -2.051 27.696 29.762 -0.026 0.000 1.505 86 H HN 0.667 nan 8.280 nan 0.000 0.429 87 N N 0.184 118.929 118.700 0.075 0.000 3.201 87 N HA 0.236 4.976 4.740 -0.000 0.000 0.344 87 N C 0.769 176.300 175.510 0.036 0.000 1.465 87 N CA -0.555 52.515 53.050 0.033 0.000 0.731 87 N CB 0.818 39.307 38.487 0.003 0.000 1.677 87 N HN 0.125 nan 8.380 nan 0.000 0.631 88 Q N 0.841 120.658 119.800 0.028 0.000 2.182 88 Q HA 0.383 4.723 4.340 -0.000 0.000 0.270 88 Q C -0.464 175.557 176.000 0.035 0.000 0.861 88 Q CA -0.196 55.630 55.803 0.040 0.000 1.098 88 Q CB 0.139 28.912 28.738 0.058 0.000 1.188 88 Q HN 0.411 nan 8.270 nan 0.000 0.464 89 L N 1.310 122.546 121.223 0.023 0.000 2.410 89 L HA 0.066 4.406 4.340 -0.000 0.000 0.273 89 L C 1.421 178.297 176.870 0.010 0.000 1.144 89 L CA 0.360 55.211 54.840 0.018 0.000 0.863 89 L CB 0.530 42.595 42.059 0.010 0.000 1.140 89 L HN 0.134 nan 8.230 nan 0.000 0.463 90 Q N 1.163 120.970 119.800 0.013 0.000 2.356 90 Q HA 0.162 4.502 4.340 -0.000 0.000 0.205 90 Q C -0.276 175.723 176.000 -0.002 0.000 0.901 90 Q CA 0.111 55.917 55.803 0.005 0.000 0.938 90 Q CB 0.836 29.580 28.738 0.010 0.000 1.081 90 Q HN 0.650 nan 8.270 nan 0.000 0.517 91 S N 0.551 116.251 115.700 0.001 0.000 2.540 91 S HA 0.344 4.814 4.470 -0.000 0.000 0.275 91 S C -1.198 173.400 174.600 -0.004 0.000 1.123 91 S CA -0.775 57.423 58.200 -0.003 0.000 0.907 91 S CB 1.971 65.171 63.200 0.001 0.000 1.081 91 S HN 0.178 nan 8.310 nan 0.000 0.476 92 L N 4.155 125.372 121.223 -0.010 0.000 2.418 92 L HA 0.396 4.736 4.340 -0.000 0.000 0.274 92 L C -2.476 174.392 176.870 -0.002 0.000 1.135 92 L CA -1.040 53.794 54.840 -0.010 0.000 0.870 92 L CB -0.057 41.991 42.059 -0.018 0.000 1.154 92 L HN 0.332 nan 8.230 nan 0.000 0.462 93 P HA 0.126 nan 4.420 nan 0.000 0.268 93 P C -1.018 176.286 177.300 0.006 0.000 1.205 93 P CA 0.010 63.116 63.100 0.011 0.000 0.771 93 P CB 0.458 32.170 31.700 0.020 0.000 0.858 94 L N 4.080 125.307 121.223 0.007 0.000 2.268 94 L HA 0.208 4.548 4.340 -0.000 0.000 0.289 94 L C 1.052 177.926 176.870 0.007 0.000 1.064 94 L CA -0.058 54.783 54.840 0.003 0.000 0.824 94 L CB 0.070 42.129 42.059 0.001 0.000 1.202 94 L HN 0.386 nan 8.230 nan 0.000 0.433 95 L N 2.288 123.515 121.223 0.006 0.000 2.616 95 L HA 0.187 4.527 4.340 -0.000 0.000 0.229 95 L C 2.319 179.194 176.870 0.007 0.000 1.110 95 L CA 0.240 55.086 54.840 0.010 0.000 0.884 95 L CB -0.008 42.058 42.059 0.012 0.000 1.115 95 L HN 0.768 nan 8.230 nan 0.000 0.481 96 G N 0.094 108.895 108.800 0.002 0.000 2.469 96 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.219 96 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.219 96 G C 1.448 176.350 174.900 0.003 0.000 1.150 96 G CA 0.819 45.920 45.100 0.001 0.000 0.763 96 G HN 0.411 nan 8.290 nan 0.000 0.561 97 Q N -0.677 119.125 119.800 0.004 0.000 2.378 97 Q HA 0.015 4.355 4.340 -0.000 0.000 0.205 97 Q C 2.070 178.075 176.000 0.008 0.000 0.954 97 Q CA 1.267 57.072 55.803 0.005 0.000 0.901 97 Q CB 0.158 28.898 28.738 0.003 0.000 0.981 97 Q HN 0.456 nan 8.270 nan 0.000 0.483 98 T N -0.242 114.319 114.554 0.011 0.000 3.034 98 T HA 0.219 4.569 4.350 -0.000 0.000 0.248 98 T C 0.446 175.157 174.700 0.019 0.000 1.040 98 T CA 0.155 62.264 62.100 0.016 0.000 1.107 98 T CB 0.417 69.297 68.868 0.021 0.000 0.932 98 T HN 0.120 nan 8.240 nan 0.000 0.474 99 L N 2.944 124.177 121.223 0.017 0.000 2.679 99 L HA 0.298 4.638 4.340 -0.000 0.000 0.238 99 L C -1.640 175.238 176.870 0.013 0.000 1.330 99 L CA -1.611 53.239 54.840 0.018 0.000 0.935 99 L CB 0.978 43.048 42.059 0.019 0.000 1.243 99 L HN -0.024 nan 8.230 nan 0.000 0.484 100 P HA -0.199 nan 4.420 nan 0.000 0.219 100 P C 1.072 178.377 177.300 0.009 0.000 1.146 100 P CA 1.209 64.314 63.100 0.008 0.000 0.808 100 P CB 0.497 32.202 31.700 0.008 0.000 0.779 101 A N -1.150 121.677 122.820 0.012 0.000 2.345 101 A HA 0.194 4.514 4.320 -0.000 0.000 0.225 101 A C 0.828 178.420 177.584 0.014 0.000 1.243 101 A CA -0.381 51.664 52.037 0.013 0.000 0.875 101 A CB -0.879 18.131 19.000 0.017 0.000 0.929 101 A HN 0.130 nan 8.150 nan 0.000 0.502 102 L N 1.439 122.669 121.223 0.012 0.000 2.559 102 L HA 0.122 4.462 4.340 -0.000 0.000 0.274 102 L C 1.600 178.476 176.870 0.010 0.000 1.205 102 L CA 1.683 56.530 54.840 0.012 0.000 0.907 102 L CB 0.761 42.826 42.059 0.010 0.000 1.153 102 L HN 0.412 nan 8.230 nan 0.000 0.490 103 T N 0.654 115.218 114.554 0.016 0.000 2.955 103 T HA 0.282 4.632 4.350 -0.000 0.000 0.251 103 T C 0.254 174.965 174.700 0.018 0.000 1.002 103 T CA -0.006 62.103 62.100 0.015 0.000 0.970 103 T CB 0.187 69.069 68.868 0.023 0.000 1.091 103 T HN 0.202 nan 8.240 nan 0.000 0.495 104 V N 2.181 122.115 119.914 0.033 0.000 2.525 104 V HA 0.719 4.839 4.120 -0.000 0.000 0.299 104 V C -1.496 174.635 176.094 0.062 0.000 1.034 104 V CA -0.988 61.349 62.300 0.061 0.000 0.863 104 V CB 1.852 33.739 31.823 0.107 0.000 0.999 104 V HN 0.430 nan 8.190 nan 0.000 0.423 105 L N 4.186 125.447 121.223 0.062 0.000 2.406 105 L HA 0.766 5.106 4.340 -0.000 0.000 0.272 105 L C -1.180 175.764 176.870 0.125 0.000 0.980 105 L CA 0.079 54.955 54.840 0.059 0.000 0.831 105 L CB 1.799 43.866 42.059 0.013 0.000 1.253 105 L HN 0.669 nan 8.230 nan 0.000 0.406 106 D N 3.838 124.316 120.400 0.129 0.000 2.481 106 D HA 0.430 5.070 4.640 -0.000 0.000 0.246 106 D C -0.652 175.683 176.300 0.058 0.000 1.109 106 D CA -0.128 53.966 54.000 0.156 0.000 0.845 106 D CB 1.813 42.686 40.800 0.121 0.000 1.160 106 D HN 0.326 nan 8.370 nan 0.000 0.534 107 V N 2.397 122.331 119.914 0.033 0.000 2.909 107 V HA 0.190 4.310 4.120 -0.000 0.000 0.362 107 V C 0.640 176.699 176.094 -0.057 0.000 1.356 107 V CA -0.496 61.796 62.300 -0.012 0.000 1.195 107 V CB 0.123 31.934 31.823 -0.020 0.000 1.256 107 V HN 0.393 nan 8.190 nan 0.000 0.567 108 S N 0.590 116.252 115.700 -0.063 0.000 2.579 108 S HA 0.492 4.962 4.470 -0.000 0.000 0.275 108 S C 0.275 174.771 174.600 -0.173 0.000 1.345 108 S CA -0.214 57.876 58.200 -0.182 0.000 1.031 108 S CB -0.045 63.087 63.200 -0.113 0.000 0.892 108 S HN 0.497 nan 8.310 nan 0.000 0.529 109 F N 0.684 120.479 119.950 -0.258 0.000 2.943 109 F HA -0.246 4.281 4.527 0.000 0.000 0.258 109 F C 0.746 176.443 175.800 -0.171 0.000 0.995 109 F CA 0.231 58.071 58.000 -0.268 0.000 0.896 109 F CB -1.654 37.016 39.000 -0.549 0.000 0.821 109 F HN 0.541 nan 8.300 nan 0.000 0.828 110 N N 0.207 118.886 118.700 -0.036 0.000 3.178 110 N HA 0.516 5.256 4.740 -0.000 0.000 0.352 110 N C 0.507 176.011 175.510 -0.010 0.000 1.423 110 N CA -0.794 52.252 53.050 -0.007 0.000 0.698 110 N CB 0.907 39.380 38.487 -0.023 0.000 1.400 110 N HN 0.215 nan 8.380 nan 0.000 0.586 111 R N 0.680 121.174 120.500 -0.010 0.000 2.748 111 R HA 0.420 4.760 4.340 -0.000 0.000 0.395 111 R C -0.521 175.766 176.300 -0.022 0.000 1.128 111 R CA -0.195 55.900 56.100 -0.009 0.000 1.042 111 R CB 0.026 30.331 30.300 0.008 0.000 1.392 111 R HN 0.294 nan 8.270 nan 0.000 0.582 112 L N 0.985 122.184 121.223 -0.040 0.000 2.380 112 L HA 0.169 4.509 4.340 -0.000 0.000 0.273 112 L C 1.348 178.190 176.870 -0.047 0.000 1.138 112 L CA 0.159 54.973 54.840 -0.043 0.000 0.832 112 L CB 1.095 43.121 42.059 -0.055 0.000 1.124 112 L HN 0.270 nan 8.230 nan 0.000 0.454 113 T N -3.175 111.356 114.554 -0.037 0.000 2.975 113 T HA 0.204 4.554 4.350 -0.000 0.000 0.257 113 T C 0.390 175.067 174.700 -0.039 0.000 1.003 113 T CA 0.215 62.293 62.100 -0.038 0.000 0.932 113 T CB 0.357 69.208 68.868 -0.027 0.000 1.087 113 T HN 0.643 nan 8.240 nan 0.000 0.512 114 S N 0.307 115.985 115.700 -0.037 0.000 2.611 114 S HA 0.700 5.170 4.470 -0.000 0.000 0.268 114 S C -1.924 172.656 174.600 -0.034 0.000 1.156 114 S CA -1.166 57.013 58.200 -0.035 0.000 0.817 114 S CB 1.114 64.297 63.200 -0.028 0.000 1.122 114 S HN 0.258 nan 8.310 nan 0.000 0.466 115 L N 1.762 122.965 121.223 -0.033 0.000 2.365 115 L HA 0.668 5.008 4.340 -0.000 0.000 0.273 115 L C -2.263 174.592 176.870 -0.026 0.000 1.000 115 L CA -2.017 52.804 54.840 -0.031 0.000 0.819 115 L CB 2.320 44.358 42.059 -0.036 0.000 1.284 115 L HN 0.622 nan 8.230 nan 0.000 0.418 116 P HA 0.218 nan 4.420 nan 0.000 0.276 116 P C 0.694 177.983 177.300 -0.019 0.000 1.252 116 P CA -0.591 62.498 63.100 -0.018 0.000 0.802 116 P CB 1.503 33.194 31.700 -0.015 0.000 1.035 117 L N 0.460 121.673 121.223 -0.017 0.000 2.083 117 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 117 L C 2.556 179.416 176.870 -0.017 0.000 1.083 117 L CA 2.083 56.912 54.840 -0.017 0.000 0.752 117 L CB -1.115 40.934 42.059 -0.015 0.000 0.899 117 L HN 0.586 nan 8.230 nan 0.000 0.433 118 G N -1.223 107.569 108.800 -0.015 0.000 2.572 118 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.216 118 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.216 118 G C 1.647 176.538 174.900 -0.015 0.000 1.133 118 G CA 0.633 45.724 45.100 -0.013 0.000 0.791 118 G HN 0.425 nan 8.290 nan 0.000 0.538 119 A N 1.181 123.991 122.820 -0.017 0.000 1.818 119 A HA -0.281 4.039 4.320 -0.000 0.000 0.310 119 A C 1.950 179.523 177.584 -0.018 0.000 3.572 119 A CA 2.204 54.230 52.037 -0.019 0.000 0.984 119 A CB -0.962 18.023 19.000 -0.024 0.000 0.719 119 A HN 0.532 nan 8.150 nan 0.000 0.500 120 L N -1.053 120.156 121.223 -0.022 0.000 2.741 120 L HA 0.197 4.537 4.340 -0.000 0.000 0.237 120 L C 1.076 177.935 176.870 -0.019 0.000 1.178 120 L CA -0.354 54.473 54.840 -0.022 0.000 0.973 120 L CB -0.211 41.830 42.059 -0.030 0.000 1.255 120 L HN 0.412 nan 8.230 nan 0.000 0.498 121 R N 1.096 121.586 120.500 -0.016 0.000 2.538 121 R HA 0.187 4.527 4.340 -0.000 0.000 0.282 121 R C 1.237 177.531 176.300 -0.011 0.000 1.009 121 R CA 1.261 57.352 56.100 -0.014 0.000 1.063 121 R CB 0.261 30.554 30.300 -0.012 0.000 0.945 121 R HN 0.341 nan 8.270 nan 0.000 0.414 122 G N 3.407 112.201 108.800 -0.010 0.000 2.195 122 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.246 122 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.246 122 G C 0.270 175.166 174.900 -0.006 0.000 0.984 122 G CA 0.176 45.272 45.100 -0.007 0.000 0.633 122 G HN 0.558 nan 8.290 nan 0.000 0.525 123 L N 2.191 123.408 121.223 -0.010 0.000 2.990 123 L HA 0.407 4.747 4.340 -0.000 0.000 0.231 123 L C 2.186 179.048 176.870 -0.013 0.000 1.341 123 L CA 0.236 55.070 54.840 -0.010 0.000 1.208 123 L CB -0.012 42.039 42.059 -0.013 0.000 1.571 123 L HN 0.225 nan 8.230 nan 0.000 0.453 124 G N -0.331 108.462 108.800 -0.010 0.000 2.498 124 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 124 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 124 G C 1.259 176.153 174.900 -0.009 0.000 1.119 124 G CA 0.372 45.465 45.100 -0.011 0.000 0.766 124 G HN 0.393 nan 8.290 nan 0.000 0.552 125 E N -0.491 119.706 120.200 -0.005 0.000 2.474 125 E HA 0.130 4.480 4.350 -0.000 0.000 0.195 125 E C 0.515 177.113 176.600 -0.004 0.000 1.039 125 E CA -0.568 55.831 56.400 -0.002 0.000 0.881 125 E CB 0.174 29.876 29.700 0.004 0.000 0.970 125 E HN 0.293 nan 8.360 nan 0.000 0.486 126 L N 1.712 122.928 121.223 -0.012 0.000 2.559 126 L HA -0.111 4.229 4.340 -0.000 0.000 0.274 126 L C 1.138 177.992 176.870 -0.025 0.000 1.205 126 L CA 1.008 55.836 54.840 -0.020 0.000 0.907 126 L CB 0.473 42.513 42.059 -0.031 0.000 1.153 126 L HN -0.038 nan 8.230 nan 0.000 0.490 127 Q N 2.399 122.185 119.800 -0.023 0.000 2.369 127 Q HA 0.262 4.602 4.340 -0.000 0.000 0.254 127 Q C -0.565 175.402 176.000 -0.056 0.000 0.858 127 Q CA 0.211 56.002 55.803 -0.021 0.000 0.961 127 Q CB 0.825 29.568 28.738 0.007 0.000 1.119 127 Q HN 0.669 nan 8.270 nan 0.000 0.538 128 E N 0.898 121.044 120.200 -0.090 0.000 2.263 128 E HA 0.430 4.780 4.350 -0.000 0.000 0.268 128 E C -1.787 174.609 176.600 -0.338 0.000 0.884 128 E CA -0.608 55.647 56.400 -0.243 0.000 0.766 128 E CB 2.559 32.185 29.700 -0.123 0.000 1.196 128 E HN -0.112 nan 8.360 nan 0.000 0.416 129 L N 3.423 124.339 121.223 -0.512 0.000 2.372 129 L HA 0.431 4.771 4.340 -0.000 0.000 0.274 129 L C -2.012 174.550 176.870 -0.513 0.000 0.988 129 L CA -0.508 54.114 54.840 -0.363 0.000 0.833 129 L CB 0.708 42.649 42.059 -0.197 0.000 1.236 129 L HN 0.458 nan 8.230 nan 0.000 0.410 130 Y N 5.934 126.202 120.300 -0.053 0.000 2.328 130 Y HA 0.534 5.084 4.550 0.000 0.000 0.333 130 Y C 0.342 176.174 175.900 -0.113 0.000 0.958 130 Y CA -0.609 57.440 58.100 -0.085 0.000 1.167 130 Y CB 1.588 40.006 38.460 -0.069 0.000 1.151 130 Y HN 0.475 nan 8.280 nan 0.000 0.470 131 L N 3.048 124.255 121.223 -0.027 0.000 3.358 131 L HA 0.258 4.598 4.340 -0.000 0.000 0.301 131 L C 0.346 177.087 176.870 -0.215 0.000 1.276 131 L CA -0.242 54.533 54.840 -0.108 0.000 1.028 131 L CB 0.509 42.506 42.059 -0.102 0.000 1.421 131 L HN 0.475 nan 8.230 nan 0.000 0.604 132 K N 1.058 121.300 120.400 -0.262 0.000 2.469 132 K HA 0.214 4.534 4.320 -0.000 0.000 0.274 132 K C 1.199 177.293 176.600 -0.844 0.000 0.983 132 K CA 1.134 57.149 56.287 -0.454 0.000 0.974 132 K CB 0.488 32.735 32.500 -0.422 0.000 0.913 132 K HN 0.218 nan 8.250 nan 0.000 0.493 133 G N 2.117 110.419 108.800 -0.831 0.000 2.160 133 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.251 133 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.251 133 G C -0.176 174.403 174.900 -0.536 0.000 1.008 133 G CA 0.241 44.742 45.100 -0.998 0.000 0.724 133 G HN 0.738 nan 8.290 nan 0.000 0.514 134 N N -0.317 118.171 118.700 -0.353 0.000 2.717 134 N HA 0.430 5.170 4.740 -0.000 0.000 0.314 134 N C 0.329 175.750 175.510 -0.147 0.000 1.324 134 N CA -0.425 52.504 53.050 -0.202 0.000 0.902 134 N CB 0.483 38.869 38.487 -0.168 0.000 1.126 134 N HN 0.287 nan 8.380 nan 0.000 0.579 135 E N 0.682 120.820 120.200 -0.103 0.000 3.167 135 E HA 0.272 4.622 4.350 -0.000 0.000 0.210 135 E C -0.579 175.974 176.600 -0.078 0.000 1.004 135 E CA -0.138 56.213 56.400 -0.083 0.000 1.256 135 E CB 0.222 29.888 29.700 -0.056 0.000 1.193 135 E HN 0.298 nan 8.360 nan 0.000 0.448 136 L N 1.260 122.428 121.223 -0.092 0.000 2.455 136 L HA 0.041 4.381 4.340 -0.000 0.000 0.272 136 L C 1.029 177.851 176.870 -0.081 0.000 1.174 136 L CA 0.282 55.073 54.840 -0.081 0.000 0.869 136 L CB 0.430 42.436 42.059 -0.087 0.000 1.130 136 L HN 0.046 nan 8.230 nan 0.000 0.474 137 K N 0.271 120.632 120.400 -0.066 0.000 2.287 137 K HA 0.173 4.493 4.320 -0.000 0.000 0.199 137 K C 0.505 177.067 176.600 -0.063 0.000 1.061 137 K CA 0.202 56.450 56.287 -0.065 0.000 0.976 137 K CB 0.452 32.924 32.500 -0.047 0.000 0.898 137 K HN 0.573 nan 8.250 nan 0.000 0.492 138 T N -0.455 114.066 114.554 -0.055 0.000 2.816 138 T HA 0.655 5.005 4.350 -0.000 0.000 0.299 138 T C -1.799 172.874 174.700 -0.046 0.000 1.230 138 T CA -0.844 61.227 62.100 -0.050 0.000 1.007 138 T CB 0.792 69.637 68.868 -0.038 0.000 1.289 138 T HN -0.012 nan 8.240 nan 0.000 0.508 139 L N 3.271 124.470 121.223 -0.041 0.000 2.354 139 L HA 0.614 4.954 4.340 -0.000 0.000 0.269 139 L C -2.112 174.740 176.870 -0.029 0.000 1.005 139 L CA -2.334 52.485 54.840 -0.036 0.000 0.819 139 L CB 2.325 44.364 42.059 -0.033 0.000 1.311 139 L HN 0.519 nan 8.230 nan 0.000 0.423 140 P HA 0.253 nan 4.420 nan 0.000 0.275 140 P C -2.695 174.590 177.300 -0.024 0.000 1.227 140 P CA -1.482 61.602 63.100 -0.025 0.000 0.781 140 P CB 0.246 31.930 31.700 -0.025 0.000 0.906 141 P HA 0.150 nan 4.420 nan 0.000 0.271 141 P C 0.989 178.273 177.300 -0.027 0.000 1.216 141 P CA 0.891 63.978 63.100 -0.023 0.000 0.776 141 P CB 0.141 31.828 31.700 -0.021 0.000 0.881 142 G N 1.725 110.506 108.800 -0.032 0.000 2.159 142 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.256 142 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.256 142 G C 0.700 175.579 174.900 -0.035 0.000 0.977 142 G CA 0.293 45.372 45.100 -0.035 0.000 0.652 142 G HN 0.585 nan 8.290 nan 0.000 0.531 143 L N 0.195 121.397 121.223 -0.035 0.000 2.043 143 L HA 0.102 4.442 4.340 -0.000 0.000 0.212 143 L C 2.240 179.085 176.870 -0.042 0.000 1.075 143 L CA 2.674 57.492 54.840 -0.037 0.000 0.752 143 L CB -0.215 41.822 42.059 -0.037 0.000 0.891 143 L HN 0.413 nan 8.230 nan 0.000 0.432 144 L N -0.847 120.347 121.223 -0.049 0.000 2.628 144 L HA 0.094 4.434 4.340 -0.000 0.000 0.229 144 L C 1.995 178.832 176.870 -0.054 0.000 1.137 144 L CA 0.601 55.408 54.840 -0.056 0.000 0.909 144 L CB -0.808 41.210 42.059 -0.068 0.000 1.137 144 L HN 0.383 nan 8.230 nan 0.000 0.470 145 T N -2.468 112.057 114.554 -0.048 0.000 2.881 145 T HA -0.038 4.312 4.350 -0.000 0.000 0.270 145 T C -0.476 174.202 174.700 -0.038 0.000 1.068 145 T CA 0.647 62.720 62.100 -0.044 0.000 1.131 145 T CB -1.167 67.678 68.868 -0.038 0.000 0.871 145 T HN 0.172 nan 8.240 nan 0.000 0.479 146 P HA 0.137 nan 4.420 nan 0.000 0.245 146 P C 0.504 177.786 177.300 -0.030 0.000 1.206 146 P CA 0.720 63.802 63.100 -0.029 0.000 0.781 146 P CB 0.016 31.701 31.700 -0.025 0.000 0.994 147 T N -3.877 110.654 114.554 -0.038 0.000 3.427 147 T HA 0.268 4.618 4.350 -0.000 0.000 0.306 147 T C -1.835 172.838 174.700 -0.045 0.000 1.733 147 T CA -2.026 60.051 62.100 -0.040 0.000 1.599 147 T CB 0.530 69.371 68.868 -0.046 0.000 0.964 147 T HN -0.004 nan 8.240 nan 0.000 0.701 148 P HA -0.027 nan 4.420 nan 0.000 0.225 148 P C 0.743 178.017 177.300 -0.044 0.000 1.148 148 P CA 0.743 63.815 63.100 -0.047 0.000 0.779 148 P CB 0.191 31.869 31.700 -0.037 0.000 0.780 149 K N -0.696 119.686 120.400 -0.031 0.000 2.417 149 K HA 0.121 4.441 4.320 -0.000 0.000 0.196 149 K C 0.615 177.202 176.600 -0.022 0.000 1.023 149 K CA -0.585 55.690 56.287 -0.020 0.000 1.122 149 K CB -0.232 32.263 32.500 -0.008 0.000 0.850 149 K HN 0.066 nan 8.250 nan 0.000 0.521 150 L N 2.022 123.222 121.223 -0.038 0.000 2.540 150 L HA -0.110 4.230 4.340 -0.000 0.000 0.276 150 L C 0.872 177.730 176.870 -0.020 0.000 1.212 150 L CA 1.165 55.980 54.840 -0.042 0.000 0.893 150 L CB 0.400 42.422 42.059 -0.061 0.000 1.138 150 L HN 0.171 nan 8.230 nan 0.000 0.491 151 E N 2.906 123.103 120.200 -0.004 0.000 2.364 151 E HA 0.150 4.500 4.350 -0.000 0.000 0.203 151 E C -0.326 176.310 176.600 0.059 0.000 0.888 151 E CA 0.180 56.608 56.400 0.046 0.000 0.989 151 E CB 0.535 30.272 29.700 0.061 0.000 0.985 151 E HN 0.494 nan 8.360 nan 0.000 0.499 152 K N 1.168 121.560 120.400 -0.013 0.000 2.443 152 K HA 0.464 4.784 4.320 -0.000 0.000 0.252 152 K C -1.598 174.898 176.600 -0.174 0.000 0.933 152 K CA -0.753 55.511 56.287 -0.037 0.000 0.792 152 K CB 2.694 35.175 32.500 -0.031 0.000 1.185 152 K HN -0.136 nan 8.250 nan 0.000 0.425 153 L N 1.374 122.541 121.223 -0.094 0.000 2.406 153 L HA 0.455 4.795 4.340 -0.000 0.000 0.272 153 L C -1.239 175.584 176.870 -0.079 0.000 0.980 153 L CA -0.080 54.682 54.840 -0.129 0.000 0.831 153 L CB 2.120 44.149 42.059 -0.050 0.000 1.253 153 L HN 0.583 nan 8.230 nan 0.000 0.406 154 S N 5.334 120.959 115.700 -0.126 0.000 2.596 154 S HA 0.642 5.112 4.470 -0.000 0.000 0.318 154 S C -0.107 174.439 174.600 -0.091 0.000 1.097 154 S CA -0.487 57.674 58.200 -0.065 0.000 1.080 154 S CB 0.610 63.834 63.200 0.041 0.000 0.991 154 S HN 0.740 nan 8.310 nan 0.000 0.471 155 L N 3.713 124.879 121.223 -0.095 0.000 3.229 155 L HA 0.457 4.797 4.340 -0.000 0.000 0.286 155 L C 0.934 177.714 176.870 -0.150 0.000 1.239 155 L CA -0.406 54.366 54.840 -0.113 0.000 1.035 155 L CB 0.200 42.214 42.059 -0.074 0.000 1.408 155 L HN 0.709 nan 8.230 nan 0.000 0.593 156 A N -0.129 122.577 122.820 -0.190 0.000 2.466 156 A HA 0.186 4.506 4.320 -0.000 0.000 0.238 156 A C 0.739 178.172 177.584 -0.252 0.000 1.074 156 A CA 0.219 52.118 52.037 -0.229 0.000 0.774 156 A CB -0.183 18.619 19.000 -0.330 0.000 1.015 156 A HN 0.633 nan 8.150 nan 0.000 0.498 157 N N 0.421 118.996 118.700 -0.208 0.000 2.725 157 N HA -0.161 4.579 4.740 -0.000 0.000 0.251 157 N C -0.088 175.304 175.510 -0.198 0.000 1.031 157 N CA 1.392 54.332 53.050 -0.183 0.000 0.720 157 N CB -1.131 37.251 38.487 -0.174 0.000 0.930 157 N HN 0.727 nan 8.380 nan 0.000 0.543 158 N N -0.319 118.274 118.700 -0.179 0.000 3.040 158 N HA 0.367 5.107 4.740 -0.000 0.000 0.339 158 N C -0.159 175.268 175.510 -0.138 0.000 1.387 158 N CA -0.506 52.447 53.050 -0.162 0.000 0.745 158 N CB 0.414 38.806 38.487 -0.157 0.000 1.237 158 N HN 0.106 nan 8.380 nan 0.000 0.565 159 N N -0.040 118.585 118.700 -0.126 0.000 2.433 159 N HA 0.328 5.068 4.740 -0.000 0.000 0.270 159 N C -0.933 174.497 175.510 -0.133 0.000 1.354 159 N CA -0.112 52.866 53.050 -0.120 0.000 0.889 159 N CB 0.414 38.849 38.487 -0.087 0.000 1.285 159 N HN 0.277 nan 8.380 nan 0.000 0.503 160 L N 0.563 121.693 121.223 -0.155 0.000 2.455 160 L HA 0.128 4.468 4.340 -0.000 0.000 0.272 160 L C 1.431 178.171 176.870 -0.217 0.000 1.174 160 L CA 0.277 55.022 54.840 -0.160 0.000 0.869 160 L CB 0.562 42.526 42.059 -0.157 0.000 1.130 160 L HN 0.316 nan 8.230 nan 0.000 0.474 161 T N -1.595 112.860 114.554 -0.165 0.000 2.990 161 T HA 0.173 4.523 4.350 -0.000 0.000 0.250 161 T C 0.235 174.863 174.700 -0.119 0.000 1.041 161 T CA -0.180 61.815 62.100 -0.174 0.000 1.010 161 T CB 0.178 69.052 68.868 0.010 0.000 1.003 161 T HN 0.747 nan 8.240 nan 0.000 0.499 162 E N 0.387 120.521 120.200 -0.110 0.000 2.416 162 E HA 0.601 4.951 4.350 -0.000 0.000 0.280 162 E C -1.896 174.631 176.600 -0.121 0.000 1.055 162 E CA -1.211 55.128 56.400 -0.101 0.000 0.825 162 E CB 1.040 30.714 29.700 -0.043 0.000 1.312 162 E HN 0.113 nan 8.360 nan 0.000 0.452 163 L N 1.040 122.166 121.223 -0.162 0.000 2.346 163 L HA 0.546 4.886 4.340 -0.000 0.000 0.274 163 L C -2.351 174.477 176.870 -0.070 0.000 1.007 163 L CA -2.323 52.435 54.840 -0.137 0.000 0.818 163 L CB 1.813 43.700 42.059 -0.287 0.000 1.284 163 L HN 0.446 nan 8.230 nan 0.000 0.424 164 P HA 0.110 nan 4.420 nan 0.000 0.268 164 P C -0.594 176.758 177.300 0.086 0.000 1.204 164 P CA -0.276 62.837 63.100 0.023 0.000 0.768 164 P CB 0.728 32.436 31.700 0.014 0.000 0.842 165 A N 2.941 125.786 122.820 0.040 0.000 2.511 165 A HA 0.442 4.762 4.320 -0.000 0.000 0.242 165 A C 1.527 179.124 177.584 0.021 0.000 1.069 165 A CA 0.646 52.717 52.037 0.057 0.000 0.763 165 A CB -1.142 17.856 19.000 -0.003 0.000 1.001 165 A HN 0.888 nan 8.150 nan 0.000 0.498 166 G N 0.947 109.732 108.800 -0.024 0.000 2.179 166 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 166 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 166 G C 0.812 175.611 174.900 -0.168 0.000 0.977 166 G CA 0.696 45.724 45.100 -0.119 0.000 0.641 166 G HN 1.521 nan 8.290 nan 0.000 0.533 167 L N 0.291 121.432 121.223 -0.136 0.000 2.089 167 L HA 0.049 4.389 4.340 -0.000 0.000 0.213 167 L C 2.430 179.145 176.870 -0.258 0.000 1.079 167 L CA 2.726 57.484 54.840 -0.136 0.000 0.758 167 L CB -0.196 41.873 42.059 0.016 0.000 0.891 167 L HN 0.466 nan 8.230 nan 0.000 0.433 168 L N -1.190 119.738 121.223 -0.491 0.000 2.607 168 L HA 0.130 4.470 4.340 -0.000 0.000 0.228 168 L C 0.264 176.960 176.870 -0.289 0.000 1.123 168 L CA -0.451 54.142 54.840 -0.411 0.000 0.890 168 L CB -0.564 41.149 42.059 -0.577 0.000 1.103 168 L HN 0.172 nan 8.230 nan 0.000 0.468 169 N N 1.133 119.681 118.700 -0.254 0.000 2.454 169 N HA 0.284 5.024 4.740 -0.000 0.000 0.260 169 N C 1.151 176.583 175.510 -0.129 0.000 1.218 169 N CA 1.334 54.285 53.050 -0.164 0.000 0.904 169 N CB 0.875 39.284 38.487 -0.130 0.000 1.065 169 N HN 0.271 nan 8.380 nan 0.000 0.462 170 G N 1.202 109.937 108.800 -0.109 0.000 2.213 170 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.236 170 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.236 170 G C 0.026 174.857 174.900 -0.115 0.000 0.991 170 G CA -0.313 44.731 45.100 -0.092 0.000 0.629 170 G HN 0.469 nan 8.290 nan 0.000 0.517 171 L N 1.736 122.860 121.223 -0.165 0.000 2.466 171 L HA 0.339 4.679 4.340 -0.000 0.000 0.248 171 L C 0.964 177.621 176.870 -0.354 0.000 1.240 171 L CA -0.594 54.126 54.840 -0.200 0.000 1.180 171 L CB 0.534 42.480 42.059 -0.188 0.000 1.413 171 L HN 0.025 nan 8.230 nan 0.000 0.406 172 E N 0.645 120.697 120.200 -0.247 0.000 2.511 172 E HA -0.047 4.303 4.350 -0.000 0.000 0.196 172 E C 0.427 176.953 176.600 -0.124 0.000 1.066 172 E CA 0.397 56.653 56.400 -0.241 0.000 0.871 172 E CB 0.069 29.748 29.700 -0.036 0.000 0.863 172 E HN 0.572 nan 8.360 nan 0.000 0.520 173 N N -0.079 118.553 118.700 -0.114 0.000 2.177 173 N HA 0.074 4.814 4.740 -0.000 0.000 0.218 173 N C -0.292 175.272 175.510 0.091 0.000 1.182 173 N CA -0.264 52.819 53.050 0.054 0.000 0.882 173 N CB 0.604 39.112 38.487 0.035 0.000 1.052 173 N HN -0.008 nan 8.380 nan 0.000 0.519 174 L N 1.771 122.987 121.223 -0.012 0.000 2.477 174 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 174 L C 0.580 177.660 176.870 0.350 0.000 1.157 174 L CA 0.575 55.492 54.840 0.128 0.000 0.889 174 L CB 0.521 42.605 42.059 0.041 0.000 1.158 174 L HN 0.269 nan 8.230 nan 0.000 0.473 175 D N 0.161 120.730 120.400 0.282 0.000 2.469 175 D HA 0.106 4.746 4.640 -0.000 0.000 0.240 175 D C -0.206 176.353 176.300 0.432 0.000 1.087 175 D CA 0.071 54.275 54.000 0.340 0.000 0.876 175 D CB 0.355 41.348 40.800 0.323 0.000 1.160 175 D HN 0.430 nan 8.370 nan 0.000 0.497 176 T N 0.581 115.352 114.554 0.363 0.000 2.879 176 T HA 0.530 4.880 4.350 -0.000 0.000 0.290 176 T C -1.622 173.281 174.700 0.337 0.000 0.993 176 T CA -0.623 61.730 62.100 0.422 0.000 0.975 176 T CB 2.020 71.099 68.868 0.351 0.000 0.981 176 T HN 0.084 nan 8.240 nan 0.000 0.439 177 L N 4.421 125.901 121.223 0.428 0.000 2.404 177 L HA 0.656 4.996 4.340 -0.000 0.000 0.272 177 L C -1.770 175.354 176.870 0.423 0.000 0.980 177 L CA -0.616 54.434 54.840 0.350 0.000 0.836 177 L CB 1.029 43.310 42.059 0.368 0.000 1.238 177 L HN 0.585 nan 8.230 nan 0.000 0.408 178 L N 6.615 127.978 121.223 0.234 0.000 2.294 178 L HA 0.458 4.798 4.340 -0.000 0.000 0.283 178 L C 0.272 177.185 176.870 0.072 0.000 1.015 178 L CA 0.053 54.975 54.840 0.137 0.000 0.831 178 L CB 1.316 43.287 42.059 -0.148 0.000 1.217 178 L HN 0.646 nan 8.230 nan 0.000 0.420 179 L N 2.725 124.029 121.223 0.135 0.000 3.184 179 L HA 0.168 4.508 4.340 -0.000 0.000 0.283 179 L C 0.650 177.519 176.870 -0.003 0.000 1.218 179 L CA -0.295 54.583 54.840 0.064 0.000 1.028 179 L CB 0.277 42.424 42.059 0.146 0.000 1.400 179 L HN 0.653 nan 8.230 nan 0.000 0.591 180 Q N 1.104 120.869 119.800 -0.059 0.000 2.474 180 Q HA -0.035 4.305 4.340 -0.000 0.000 0.256 180 Q C -0.293 175.594 176.000 -0.189 0.000 1.048 180 Q CA 0.379 56.044 55.803 -0.229 0.000 0.922 180 Q CB 0.555 28.924 28.738 -0.614 0.000 1.288 180 Q HN 0.198 nan 8.270 nan 0.000 0.484 181 E N 0.141 120.245 120.200 -0.161 0.000 2.389 181 E HA -0.192 4.157 4.350 -0.000 0.000 0.243 181 E C -0.707 175.804 176.600 -0.148 0.000 1.154 181 E CA 0.619 56.954 56.400 -0.109 0.000 0.723 181 E CB -1.778 27.886 29.700 -0.060 0.000 1.261 181 E HN 0.719 nan 8.360 nan 0.000 0.390 182 N N -0.295 118.281 118.700 -0.206 0.000 3.124 182 N HA 0.327 5.067 4.740 -0.000 0.000 0.350 182 N C 0.119 175.436 175.510 -0.321 0.000 1.411 182 N CA -0.440 52.466 53.050 -0.239 0.000 0.729 182 N CB 1.154 39.492 38.487 -0.248 0.000 1.379 182 N HN 0.021 nan 8.380 nan 0.000 0.599 183 S N 0.443 115.905 115.700 -0.397 0.000 2.661 183 S HA 0.380 4.850 4.470 -0.000 0.000 0.245 183 S C -0.309 173.744 174.600 -0.912 0.000 1.117 183 S CA -0.460 57.404 58.200 -0.560 0.000 1.091 183 S CB -0.717 62.242 63.200 -0.402 0.000 0.887 183 S HN 0.255 nan 8.310 nan 0.000 0.491 184 L N 1.995 122.715 121.223 -0.838 0.000 2.455 184 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 184 L C 0.575 176.823 176.870 -1.036 0.000 1.174 184 L CA 0.123 54.436 54.840 -0.877 0.000 0.869 184 L CB 0.340 41.893 42.059 -0.843 0.000 1.130 184 L HN 0.476 nan 8.230 nan 0.000 0.474 185 Y N 0.391 120.519 120.300 -0.287 0.000 2.535 185 Y HA 0.144 4.694 4.550 -0.000 0.000 0.266 185 Y C 1.206 177.225 175.900 0.199 0.000 1.088 185 Y CA -0.055 57.996 58.100 -0.082 0.000 1.285 185 Y CB 1.082 39.509 38.460 -0.055 0.000 1.166 185 Y HN 0.651 nan 8.280 nan 0.000 0.525 186 T N -0.570 114.183 114.554 0.331 0.000 2.739 186 T HA 0.495 4.845 4.350 -0.000 0.000 0.303 186 T C -2.129 172.618 174.700 0.077 0.000 1.389 186 T CA -0.532 61.752 62.100 0.308 0.000 1.001 186 T CB 1.119 70.090 68.868 0.172 0.000 1.436 186 T HN -0.224 nan 8.240 nan 0.000 0.500 187 I N 2.851 123.343 120.570 -0.129 0.000 2.436 187 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 187 I C -2.307 173.666 176.117 -0.241 0.000 1.010 187 I CA -2.519 58.521 61.300 -0.432 0.000 1.098 187 I CB 1.407 38.966 38.000 -0.735 0.000 1.266 187 I HN 0.483 nan 8.210 nan 0.000 0.434 188 P HA 0.018 nan 4.420 nan 0.000 0.265 188 P C -0.184 176.966 177.300 -0.250 0.000 1.187 188 P CA -0.153 62.835 63.100 -0.186 0.000 0.766 188 P CB 0.605 32.234 31.700 -0.119 0.000 0.820 189 K N 2.171 122.411 120.400 -0.267 0.000 2.451 189 K HA 0.213 4.533 4.320 -0.000 0.000 0.280 189 K C 1.102 177.263 176.600 -0.732 0.000 1.020 189 K CA 0.843 56.793 56.287 -0.562 0.000 1.008 189 K CB -0.605 31.760 32.500 -0.225 0.000 0.917 189 K HN 0.750 nan 8.250 nan 0.000 0.478 190 G N 4.187 112.108 108.800 -1.465 0.000 2.155 190 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 190 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 190 G C 0.392 175.129 174.900 -0.271 0.000 0.983 190 G CA 0.335 45.077 45.100 -0.597 0.000 0.676 190 G HN 0.755 nan 8.290 nan 0.000 0.528 191 F N 0.447 120.076 119.950 -0.535 0.000 2.120 191 F HA 0.031 4.558 4.527 -0.000 0.000 0.300 191 F C 2.094 177.640 175.800 -0.423 0.000 1.095 191 F CA 2.300 60.018 58.000 -0.471 0.000 1.249 191 F CB -0.246 38.341 39.000 -0.688 0.000 0.995 191 F HN 0.226 nan 8.300 nan 0.000 0.480 192 F N 0.052 120.058 119.950 0.093 0.000 2.797 192 F HA 0.291 4.818 4.527 -0.000 0.000 0.302 192 F C 1.772 177.648 175.800 0.125 0.000 1.130 192 F CA 0.337 58.347 58.000 0.017 0.000 1.387 192 F CB -0.794 38.193 39.000 -0.022 0.000 1.107 192 F HN 0.197 nan 8.300 nan 0.000 0.577 193 G N 1.159 110.103 108.800 0.241 0.000 2.594 193 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.297 193 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.297 193 G C 0.945 176.010 174.900 0.275 0.000 1.273 193 G CA 0.536 45.753 45.100 0.195 0.000 0.974 193 G HN 0.536 nan 8.290 nan 0.000 0.552 194 S N -0.858 114.972 115.700 0.216 0.000 2.568 194 S HA 0.275 4.745 4.470 -0.000 0.000 0.232 194 S C 0.589 175.312 174.600 0.205 0.000 0.975 194 S CA 0.707 59.024 58.200 0.195 0.000 0.949 194 S CB 0.005 63.285 63.200 0.133 0.000 0.829 194 S HN 0.966 nan 8.310 nan 0.000 0.479 195 H N 1.256 120.418 119.070 0.154 0.000 2.582 195 H HA 0.383 4.939 4.556 -0.000 0.000 0.345 195 H C -0.700 174.727 175.328 0.165 0.000 1.104 195 H CA -0.498 55.631 56.048 0.135 0.000 1.390 195 H CB 0.952 30.786 29.762 0.120 0.000 1.461 195 H HN 0.291 nan 8.280 nan 0.000 0.551 196 L N 6.855 127.768 121.223 -0.517 0.000 2.283 196 L HA 0.160 4.500 4.340 -0.000 0.000 0.287 196 L C -1.163 175.442 176.870 -0.441 0.000 1.073 196 L CA -0.397 54.236 54.840 -0.346 0.000 0.822 196 L CB 0.230 42.134 42.059 -0.259 0.000 1.186 196 L HN 0.474 nan 8.230 nan 0.000 0.436 197 L N 9.400 130.585 121.223 -0.063 0.000 2.272 197 L HA 0.550 4.890 4.340 -0.000 0.000 0.284 197 L C -1.691 175.186 176.870 0.013 0.000 1.045 197 L CA -1.514 53.399 54.840 0.121 0.000 0.842 197 L CB 0.923 43.206 42.059 0.374 0.000 1.224 197 L HN 0.494 nan 8.230 nan 0.000 0.430 198 P HA -0.106 nan 4.420 nan 0.000 0.218 198 P C -0.294 176.605 177.300 -0.668 0.000 1.149 198 P CA 1.203 64.025 63.100 -0.463 0.000 0.817 198 P CB 0.053 31.393 31.700 -0.600 0.000 0.785 199 F N 0.195 120.259 119.950 0.190 0.000 2.610 199 F HA 0.589 5.116 4.527 0.000 0.000 0.355 199 F C 0.048 176.010 175.800 0.271 0.000 1.140 199 F CA -1.060 57.041 58.000 0.169 0.000 1.037 199 F CB 1.456 40.527 39.000 0.119 0.000 1.287 199 F HN -0.122 nan 8.300 nan 0.000 0.457 200 A N 3.164 126.181 122.820 0.328 0.000 2.343 200 A HA 0.864 5.184 4.320 -0.000 0.000 0.316 200 A C -1.543 176.170 177.584 0.215 0.000 1.104 200 A CA -0.492 51.781 52.037 0.394 0.000 0.768 200 A CB 0.655 19.927 19.000 0.452 0.000 1.213 200 A HN 0.509 nan 8.150 nan 0.000 0.456 201 F N 2.231 122.432 119.950 0.419 0.000 2.403 201 F HA 0.488 5.015 4.527 -0.000 0.000 0.355 201 F C 0.421 176.408 175.800 0.312 0.000 1.119 201 F CA -0.382 57.867 58.000 0.414 0.000 1.007 201 F CB 1.633 40.863 39.000 0.382 0.000 1.194 201 F HN 0.420 nan 8.300 nan 0.000 0.443 202 L N 2.366 123.885 121.223 0.493 0.000 3.086 202 L HA 0.188 4.528 4.340 -0.000 0.000 0.274 202 L C 0.316 177.523 176.870 0.562 0.000 1.184 202 L CA -0.502 54.658 54.840 0.534 0.000 1.002 202 L CB -0.315 42.120 42.059 0.626 0.000 1.383 202 L HN 0.630 nan 8.230 nan 0.000 0.582 203 H N -1.006 118.339 119.070 0.459 0.000 2.660 203 H HA 0.488 5.044 4.556 -0.000 0.000 0.374 203 H C 1.223 176.721 175.328 0.284 0.000 1.291 203 H CA 0.013 56.293 56.048 0.385 0.000 1.437 203 H CB 0.317 30.264 29.762 0.308 0.000 1.509 203 H HN 0.086 nan 8.280 nan 0.000 0.614 204 G N 0.324 109.318 108.800 0.323 0.000 2.179 204 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 204 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 204 G C -0.473 174.402 174.900 -0.042 0.000 1.010 204 G CA 0.179 45.368 45.100 0.147 0.000 0.736 204 G HN 0.845 nan 8.290 nan 0.000 0.513 205 N N 0.189 118.811 118.700 -0.130 0.000 2.314 205 N HA 0.460 5.199 4.740 -0.000 0.000 0.304 205 N C -2.730 172.433 175.510 -0.578 0.000 1.073 205 N CA -1.474 51.241 53.050 -0.558 0.000 0.822 205 N CB 2.716 40.522 38.487 -1.136 0.000 1.280 205 N HN -0.018 nan 8.380 nan 0.000 0.489 206 P HA 0.123 nan 4.420 nan 0.000 0.220 206 P C -0.633 176.590 177.300 -0.128 0.000 1.806 206 P CA -0.354 62.615 63.100 -0.218 0.000 0.976 206 P CB -0.793 30.832 31.700 -0.124 0.000 1.952 207 W N 1.551 122.912 121.300 0.101 0.000 2.343 207 W HA 0.037 4.697 4.660 -0.000 0.000 0.337 207 W C 0.867 177.460 176.519 0.124 0.000 1.320 207 W CA -0.585 56.844 57.345 0.139 0.000 1.290 207 W CB 0.098 29.673 29.460 0.191 0.000 1.206 207 W HN 0.159 nan 8.180 nan 0.000 0.565 208 L N 6.123 127.565 121.223 0.364 0.000 2.261 208 L HA 0.334 4.674 4.340 -0.000 0.000 0.289 208 L C -0.531 176.374 176.870 0.059 0.000 1.059 208 L CA -0.636 54.308 54.840 0.172 0.000 0.816 208 L CB 0.152 42.285 42.059 0.122 0.000 1.191 208 L HN 0.452 nan 8.230 nan 0.000 0.431 209 c N 6.021 124.554 118.600 -0.112 0.000 2.218 209 c HA 0.471 5.041 4.570 -0.000 0.000 0.353 209 c C 0.393 174.179 174.090 -0.507 0.000 1.070 209 c CA -0.654 55.362 56.329 -0.521 0.000 1.497 209 c CB -2.083 39.917 42.510 -0.850 0.000 1.951 209 c HN 0.939 nan 8.230 nan 0.000 0.493 210 N N 0.486 119.064 118.700 -0.204 0.000 3.167 210 N HA 0.318 5.058 4.740 -0.000 0.000 0.323 210 N C 0.441 176.070 175.510 0.198 0.000 1.478 210 N CA -0.992 52.092 53.050 0.057 0.000 0.753 210 N CB -0.066 38.452 38.487 0.051 0.000 1.721 210 N HN 0.240 nan 8.380 nan 0.000 0.618 211 c N -0.639 118.083 118.600 0.203 0.000 2.419 211 c HA 0.026 4.596 4.570 -0.000 0.000 0.283 211 c C 1.769 175.965 174.090 0.177 0.000 1.373 211 c CA 0.673 57.124 56.329 0.203 0.000 1.781 211 c CB -1.360 41.231 42.510 0.136 0.000 1.886 211 c HN 0.728 nan 8.230 nan 0.000 0.520 212 E N 0.301 120.586 120.200 0.142 0.000 2.427 212 E HA 0.000 4.350 4.350 -0.000 0.000 0.196 212 E C 1.578 178.286 176.600 0.180 0.000 1.028 212 E CA 0.274 56.756 56.400 0.136 0.000 0.864 212 E CB -0.166 29.591 29.700 0.095 0.000 0.813 212 E HN 0.565 nan 8.360 nan 0.000 0.514 213 I N 0.049 120.735 120.570 0.192 0.000 3.793 213 I HA 0.005 4.175 4.170 -0.000 0.000 0.315 213 I C 1.132 177.418 176.117 0.282 0.000 1.275 213 I CA 0.356 61.796 61.300 0.234 0.000 1.214 213 I CB 0.182 38.264 38.000 0.136 0.000 1.018 213 I HN 0.101 nan 8.210 nan 0.000 0.439 214 L N -0.768 120.621 121.223 0.277 0.000 2.127 214 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 214 L C 2.398 179.417 176.870 0.249 0.000 1.089 214 L CA 1.556 56.548 54.840 0.253 0.000 0.757 214 L CB -0.983 41.203 42.059 0.212 0.000 0.899 214 L HN 0.360 nan 8.230 nan 0.000 0.434 215 Y N 0.191 120.618 120.300 0.212 0.000 2.145 215 Y HA -0.325 4.225 4.550 -0.000 0.000 0.286 215 Y C 2.449 178.566 175.900 0.362 0.000 1.145 215 Y CA 1.468 59.713 58.100 0.242 0.000 1.148 215 Y CB -0.476 38.105 38.460 0.201 0.000 0.981 215 Y HN 0.059 nan 8.280 nan 0.000 0.507 216 F N 1.560 121.517 119.950 0.011 0.000 2.134 216 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 216 F C 2.647 178.451 175.800 0.007 0.000 1.097 216 F CA 1.912 59.889 58.000 -0.038 0.000 1.264 216 F CB -0.844 38.142 39.000 -0.024 0.000 1.001 216 F HN 0.086 nan 8.300 nan 0.000 0.479 217 R N -0.030 120.496 120.500 0.043 0.000 2.083 217 R HA -0.238 4.102 4.340 -0.000 0.000 0.237 217 R C 2.428 178.711 176.300 -0.028 0.000 1.137 217 R CA 1.800 57.880 56.100 -0.034 0.000 0.951 217 R CB -0.342 30.016 30.300 0.097 0.000 0.851 217 R HN 0.108 nan 8.270 nan 0.000 0.434 218 R N -0.094 120.409 120.500 0.004 0.000 2.081 218 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 218 R C 1.792 178.057 176.300 -0.057 0.000 1.131 218 R CA 1.991 58.081 56.100 -0.018 0.000 0.960 218 R CB -1.072 29.236 30.300 0.014 0.000 0.856 218 R HN 0.471 nan 8.270 nan 0.000 0.436 219 W N 0.398 121.539 121.300 -0.264 0.000 2.358 219 W HA -0.133 4.527 4.660 -0.000 0.000 0.303 219 W C 1.467 177.828 176.519 -0.263 0.000 1.208 219 W CA 1.638 58.824 57.345 -0.265 0.000 1.274 219 W CB -0.218 29.074 29.460 -0.280 0.000 1.138 219 W HN 0.118 nan 8.180 nan 0.000 0.515 220 L N 0.263 121.415 121.223 -0.118 0.000 2.083 220 L HA -0.264 4.076 4.340 -0.000 0.000 0.209 220 L C 2.616 179.255 176.870 -0.386 0.000 1.083 220 L CA 1.643 56.284 54.840 -0.332 0.000 0.752 220 L CB -0.961 40.898 42.059 -0.333 0.000 0.899 220 L HN 0.085 nan 8.230 nan 0.000 0.433 221 Q N -0.354 119.310 119.800 -0.226 0.000 2.079 221 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 221 Q C 1.567 177.413 176.000 -0.256 0.000 0.974 221 Q CA 1.399 57.107 55.803 -0.158 0.000 0.840 221 Q CB -0.026 28.684 28.738 -0.047 0.000 0.898 221 Q HN 0.467 nan 8.270 nan 0.000 0.430 222 D N -0.074 120.132 120.400 -0.324 0.000 2.317 222 D HA -0.031 4.609 4.640 -0.000 0.000 0.211 222 D C 0.604 176.603 176.300 -0.503 0.000 0.966 222 D CA 0.691 54.483 54.000 -0.348 0.000 0.876 222 D CB 0.045 40.666 40.800 -0.300 0.000 0.927 222 D HN 0.194 nan 8.370 nan 0.000 0.519 223 N N -0.028 118.230 118.700 -0.736 0.000 2.365 223 N HA 0.185 4.925 4.740 -0.000 0.000 0.257 223 N C 1.052 176.156 175.510 -0.676 0.000 1.287 223 N CA -0.045 52.493 53.050 -0.854 0.000 0.882 223 N CB 1.333 38.857 38.487 -1.603 0.000 1.250 223 N HN -0.042 nan 8.380 nan 0.000 0.507 224 A N 1.004 123.508 122.820 -0.526 0.000 1.986 224 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 224 A C 1.831 179.145 177.584 -0.450 0.000 1.171 224 A CA 1.326 53.074 52.037 -0.480 0.000 0.640 224 A CB -0.037 18.708 19.000 -0.425 0.000 0.811 224 A HN 0.111 nan 8.150 nan 0.000 0.451 225 E N 0.078 120.039 120.200 -0.398 0.000 2.502 225 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 225 E C 0.254 176.611 176.600 -0.406 0.000 1.062 225 E CA 0.172 56.350 56.400 -0.370 0.000 0.867 225 E CB -0.103 29.442 29.700 -0.259 0.000 0.888 225 E HN 0.627 nan 8.360 nan 0.000 0.510 226 N N 0.002 118.458 118.700 -0.407 0.000 2.187 226 N HA 0.053 4.793 4.740 -0.000 0.000 0.212 226 N C -0.300 175.116 175.510 -0.157 0.000 1.152 226 N CA 0.065 52.970 53.050 -0.242 0.000 0.872 226 N CB 1.736 40.069 38.487 -0.257 0.000 1.025 226 N HN -0.119 nan 8.380 nan 0.000 0.514 227 V N 1.978 121.653 119.914 -0.397 0.000 2.370 227 V HA 0.407 4.527 4.120 -0.000 0.000 0.283 227 V C -0.786 175.041 176.094 -0.445 0.000 1.023 227 V CA -0.505 61.655 62.300 -0.233 0.000 0.857 227 V CB 0.570 32.282 31.823 -0.186 0.000 0.985 227 V HN 0.033 nan 8.190 nan 0.000 0.443 228 Y N 2.591 122.727 120.300 -0.274 0.000 2.662 228 Y HA 0.718 5.268 4.550 -0.000 0.000 0.335 228 Y C -0.055 175.835 175.900 -0.017 0.000 1.066 228 Y CA -1.183 56.765 58.100 -0.252 0.000 1.116 228 Y CB 1.938 40.147 38.460 -0.419 0.000 1.308 228 Y HN 0.295 nan 8.280 nan 0.000 0.502 229 V N 1.359 121.458 119.914 0.308 0.000 2.459 229 V HA 0.137 4.257 4.120 -0.000 0.000 0.295 229 V C -0.571 175.878 176.094 0.592 0.000 1.029 229 V CA -1.104 61.343 62.300 0.245 0.000 0.874 229 V CB 1.380 33.156 31.823 -0.079 0.000 0.985 229 V HN 0.762 nan 8.190 nan 0.000 0.438 230 W N 5.503 127.211 121.300 0.680 0.000 2.181 230 W HA 0.396 5.056 4.660 -0.000 0.000 0.335 230 W C -0.310 176.343 176.519 0.223 0.000 1.310 230 W CA -0.320 57.288 57.345 0.439 0.000 1.226 230 W CB 0.705 30.340 29.460 0.292 0.000 1.155 230 W HN 0.550 nan 8.180 nan 0.000 0.565 231 K N 5.146 125.110 120.400 -0.725 0.000 2.613 231 K HA 0.062 4.382 4.320 -0.000 0.000 0.248 231 K C -0.549 175.473 176.600 -0.963 0.000 0.959 231 K CA -0.650 55.292 56.287 -0.574 0.000 0.855 231 K CB 1.228 33.568 32.500 -0.267 0.000 1.143 231 K HN 0.426 nan 8.250 nan 0.000 0.437 232 Q N 2.143 121.581 119.800 -0.603 0.000 2.283 232 Q HA 0.109 4.449 4.340 -0.000 0.000 0.301 232 Q C 0.912 176.759 176.000 -0.255 0.000 1.063 232 Q CA 2.456 58.082 55.803 -0.294 0.000 0.952 232 Q CB 0.400 29.177 28.738 0.065 0.000 1.166 232 Q HN 0.880 nan 8.270 nan 0.000 0.381 233 G N 2.191 110.865 108.800 -0.210 0.000 2.168 233 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.263 233 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.263 233 G C -0.329 174.464 174.900 -0.179 0.000 0.977 233 G CA 0.177 45.192 45.100 -0.142 0.000 0.659 233 G HN 0.625 nan 8.290 nan 0.000 0.533 234 V N 1.030 120.770 119.914 -0.289 0.000 2.495 234 V HA 0.520 4.640 4.120 -0.000 0.000 0.298 234 V C 0.077 176.032 176.094 -0.232 0.000 1.031 234 V CA -1.069 61.097 62.300 -0.223 0.000 0.871 234 V CB 1.947 33.649 31.823 -0.202 0.000 0.988 234 V HN 0.347 nan 8.190 nan 0.000 0.432 235 D N 2.582 122.894 120.400 -0.147 0.000 2.313 235 D HA 0.137 4.777 4.640 -0.000 0.000 0.247 235 D C 0.377 176.599 176.300 -0.129 0.000 1.094 235 D CA -0.282 53.639 54.000 -0.131 0.000 0.925 235 D CB 2.200 42.944 40.800 -0.093 0.000 1.188 235 D HN 0.307 nan 8.370 nan 0.000 0.430 236 V N 4.654 124.463 119.914 -0.175 0.000 3.299 236 V HA -0.068 4.052 4.120 -0.000 0.000 0.369 236 V C 1.887 177.906 176.094 -0.126 0.000 1.245 236 V CA -0.025 62.156 62.300 -0.198 0.000 1.459 236 V CB -0.757 30.784 31.823 -0.471 0.000 1.203 236 V HN 0.522 nan 8.190 nan 0.000 0.451 237 K N 2.862 123.223 120.400 -0.066 0.000 2.023 237 K HA -0.267 4.053 4.320 -0.000 0.000 0.227 237 K C 1.434 178.058 176.600 0.040 0.000 1.054 237 K CA 2.701 58.978 56.287 -0.017 0.000 0.977 237 K CB -0.223 32.271 32.500 -0.009 0.000 0.733 237 K HN 0.589 nan 8.250 nan 0.000 0.451 238 A N -1.689 121.171 122.820 0.068 0.000 2.699 238 A HA 0.256 4.576 4.320 -0.000 0.000 0.242 238 A C 0.013 177.694 177.584 0.162 0.000 1.142 238 A CA -0.062 52.047 52.037 0.121 0.000 1.008 238 A CB -0.419 18.629 19.000 0.080 0.000 1.232 238 A HN 0.365 nan 8.150 nan 0.000 0.574 239 M N 2.210 121.898 119.600 0.147 0.000 2.210 239 M HA -0.048 4.432 4.480 -0.000 0.000 0.428 239 M C -0.046 176.428 176.300 0.291 0.000 1.344 239 M CA 0.999 56.410 55.300 0.185 0.000 0.770 239 M CB 0.100 32.810 32.600 0.183 0.000 1.960 239 M HN 0.411 nan 8.290 nan 0.000 0.521 240 T N 5.215 119.858 114.554 0.148 0.000 2.934 240 T HA 0.138 4.488 4.350 -0.000 0.000 0.306 240 T C 0.469 175.154 174.700 -0.026 0.000 1.042 240 T CA 0.047 62.181 62.100 0.057 0.000 1.145 240 T CB 0.099 68.969 68.868 0.003 0.000 0.982 240 T HN 0.833 nan 8.240 nan 0.000 0.544 241 S N 2.509 118.046 115.700 -0.272 0.000 2.600 241 S HA 0.335 4.805 4.470 -0.000 0.000 0.265 241 S C 0.108 174.487 174.600 -0.368 0.000 1.325 241 S CA -0.865 56.924 58.200 -0.684 0.000 1.002 241 S CB 0.471 63.186 63.200 -0.809 0.000 0.921 241 S HN 0.725 nan 8.310 nan 0.000 0.554 242 N N 0.262 118.744 118.700 -0.364 0.000 2.824 242 N HA 0.093 4.833 4.740 -0.000 0.000 0.224 242 N C -0.075 175.295 175.510 -0.233 0.000 1.418 242 N CA -0.386 52.527 53.050 -0.227 0.000 0.743 242 N CB 0.808 39.225 38.487 -0.117 0.000 1.395 242 N HN 0.424 nan 8.380 nan 0.000 0.548 243 V N 2.173 121.876 119.914 -0.351 0.000 2.594 243 V HA -0.069 4.051 4.120 -0.000 0.000 0.253 243 V C 1.912 177.808 176.094 -0.330 0.000 1.069 243 V CA 2.508 64.557 62.300 -0.418 0.000 1.082 243 V CB -0.499 30.904 31.823 -0.700 0.000 0.680 243 V HN 0.627 nan 8.190 nan 0.000 0.469 244 A N 0.044 122.713 122.820 -0.253 0.000 2.216 244 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 244 A C 2.382 180.004 177.584 0.063 0.000 1.160 244 A CA 1.616 53.654 52.037 0.001 0.000 0.725 244 A CB -0.656 18.384 19.000 0.067 0.000 0.784 244 A HN 0.865 nan 8.150 nan 0.000 0.472 245 S N -0.861 114.862 115.700 0.039 0.000 2.481 245 S HA 0.058 4.528 4.470 -0.000 0.000 0.231 245 S C 0.517 175.262 174.600 0.241 0.000 0.996 245 S CA 0.517 58.794 58.200 0.129 0.000 0.942 245 S CB -0.554 62.715 63.200 0.114 0.000 0.768 245 S HN 0.147 nan 8.310 nan 0.000 0.520 246 V N 2.713 122.741 119.914 0.190 0.000 2.372 246 V HA 0.359 4.479 4.120 -0.000 0.000 0.261 246 V C -0.288 175.945 176.094 0.232 0.000 1.055 246 V CA -0.280 62.163 62.300 0.238 0.000 0.930 246 V CB 0.333 32.150 31.823 -0.009 0.000 1.031 246 V HN 0.473 nan 8.190 nan 0.000 0.479 247 Q N 2.919 122.968 119.800 0.415 0.000 2.394 247 Q HA 0.479 4.819 4.340 -0.000 0.000 0.273 247 Q C -0.881 175.380 176.000 0.435 0.000 1.089 247 Q CA -0.718 55.303 55.803 0.363 0.000 0.812 247 Q CB 2.247 31.164 28.738 0.298 0.000 1.353 247 Q HN 0.699 nan 8.270 nan 0.000 0.438 248 c N 2.774 121.567 118.600 0.322 0.000 2.633 248 c HA -0.007 4.563 4.570 -0.000 0.000 0.415 248 c C 0.409 174.632 174.090 0.222 0.000 1.393 248 c CA 0.137 56.620 56.329 0.256 0.000 1.700 248 c CB -1.064 41.534 42.510 0.148 0.000 2.541 248 c HN 0.913 nan 8.230 nan 0.000 0.603 249 D N 1.824 122.338 120.400 0.191 0.000 2.955 249 D HA -0.272 4.368 4.640 -0.000 0.000 0.226 249 D C 0.648 177.026 176.300 0.131 0.000 1.178 249 D CA 1.448 55.524 54.000 0.127 0.000 0.808 249 D CB -1.486 39.362 40.800 0.081 0.000 1.099 249 D HN 0.987 nan 8.370 nan 0.000 0.421 250 N N -0.715 118.093 118.700 0.179 0.000 2.735 250 N HA -0.251 4.489 4.740 -0.000 0.000 0.248 250 N C -0.899 174.720 175.510 0.182 0.000 1.083 250 N CA 0.785 53.943 53.050 0.181 0.000 0.703 250 N CB -0.589 37.961 38.487 0.104 0.000 1.005 250 N HN 0.234 nan 8.380 nan 0.000 0.550 251 S N -0.040 115.793 115.700 0.222 0.000 2.422 251 S HA 0.147 4.617 4.470 -0.000 0.000 0.308 251 S C 0.856 175.608 174.600 0.252 0.000 1.097 251 S CA -0.448 57.901 58.200 0.248 0.000 1.099 251 S CB 1.553 64.946 63.200 0.322 0.000 0.976 251 S HN 0.349 nan 8.310 nan 0.000 0.471 252 D N 4.212 124.716 120.400 0.173 0.000 2.172 252 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 252 D C 1.371 177.694 176.300 0.037 0.000 0.999 252 D CA 1.668 55.734 54.000 0.111 0.000 0.856 252 D CB 0.190 41.037 40.800 0.078 0.000 0.934 252 D HN 0.589 nan 8.370 nan 0.000 0.453 253 K N -1.214 119.165 120.400 -0.035 0.000 2.444 253 K HA 0.057 4.377 4.320 -0.000 0.000 0.193 253 K C -0.254 175.897 176.600 -0.748 0.000 1.024 253 K CA 0.034 56.094 56.287 -0.377 0.000 1.077 253 K CB 0.300 32.489 32.500 -0.518 0.000 0.833 253 K HN 0.208 nan 8.250 nan 0.000 0.517 254 F N 1.852 121.850 119.950 0.079 0.000 2.622 254 F HA 0.228 4.755 4.527 -0.000 0.000 0.338 254 F C -2.342 173.521 175.800 0.104 0.000 1.334 254 F CA -2.615 55.435 58.000 0.084 0.000 1.179 254 F CB 0.883 39.938 39.000 0.092 0.000 1.471 254 F HN -0.167 nan 8.300 nan 0.000 0.576 255 P HA 0.030 nan 4.420 nan 0.000 0.268 255 P C 1.045 178.455 177.300 0.184 0.000 1.205 255 P CA 0.151 63.377 63.100 0.210 0.000 0.771 255 P CB 2.209 34.081 31.700 0.287 0.000 0.858 256 V N 3.123 123.124 119.914 0.145 0.000 2.392 256 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 256 V C 2.287 178.427 176.094 0.076 0.000 1.059 256 V CA 2.257 64.591 62.300 0.056 0.000 1.051 256 V CB -1.843 29.871 31.823 -0.182 0.000 0.658 256 V HN 0.655 nan 8.190 nan 0.000 0.455 257 Y N -0.192 120.042 120.300 -0.110 0.000 2.680 257 Y HA 0.048 4.598 4.550 -0.000 0.000 0.303 257 Y C 1.839 177.719 175.900 -0.033 0.000 1.166 257 Y CA 0.701 58.737 58.100 -0.106 0.000 1.344 257 Y CB -0.100 38.265 38.460 -0.160 0.000 1.002 257 Y HN 0.041 nan 8.280 nan 0.000 0.537 258 K N -0.046 120.121 120.400 -0.387 0.000 2.374 258 K HA 0.034 4.354 4.320 -0.000 0.000 0.202 258 K C -0.621 175.937 176.600 -0.070 0.000 1.040 258 K CA -0.413 55.646 56.287 -0.380 0.000 1.085 258 K CB -0.313 31.913 32.500 -0.456 0.000 0.873 258 K HN 0.353 nan 8.250 nan 0.000 0.539 259 Y N 5.342 125.601 120.300 -0.068 0.000 2.729 259 Y HA -0.026 4.524 4.550 -0.000 0.000 0.331 259 Y C -1.176 174.720 175.900 -0.006 0.000 1.208 259 Y CA -1.960 56.146 58.100 0.010 0.000 1.521 259 Y CB 0.644 39.128 38.460 0.041 0.000 1.233 259 Y HN -0.003 nan 8.280 nan 0.000 0.539 260 P HA -0.059 nan 4.420 nan 0.000 0.217 260 P C 0.769 177.697 177.300 -0.621 0.000 1.150 260 P CA 1.786 64.630 63.100 -0.426 0.000 0.832 260 P CB -0.016 31.537 31.700 -0.245 0.000 0.787 261 G N 0.864 108.915 108.800 -1.248 0.000 2.246 261 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.273 261 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.273 261 G C -0.148 174.584 174.900 -0.279 0.000 1.055 261 G CA -0.119 44.514 45.100 -0.778 0.000 0.851 261 G HN 0.391 nan 8.290 nan 0.000 0.500 262 K N -0.026 120.237 120.400 -0.228 0.000 2.472 262 K HA 0.403 4.723 4.320 -0.000 0.000 0.280 262 K C 1.351 177.930 176.600 -0.035 0.000 1.028 262 K CA 0.789 57.018 56.287 -0.097 0.000 1.045 262 K CB 0.498 32.958 32.500 -0.067 0.000 0.902 262 K HN 1.490 nan 8.250 nan 0.000 0.478 263 G N 2.045 110.833 108.800 -0.020 0.000 2.248 263 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.263 263 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.263 263 G C -0.300 174.613 174.900 0.021 0.000 1.082 263 G CA -0.489 44.614 45.100 0.005 0.000 0.863 263 G HN 0.598 nan 8.290 nan 0.000 0.495 264 c N 0.118 118.727 118.600 0.016 0.000 2.482 264 c HA 0.647 5.217 4.570 -0.000 0.000 0.317 264 c C -1.142 172.968 174.090 0.033 0.000 1.197 264 c CA -1.348 55.004 56.329 0.039 0.000 1.432 264 c CB 1.338 43.883 42.510 0.059 0.000 2.062 264 c HN 0.575 nan 8.230 nan 0.000 0.471 265 P HA 0.205 nan 4.420 nan 0.000 0.269 265 P C 0.302 177.628 177.300 0.043 0.000 1.217 265 P CA 0.188 63.311 63.100 0.038 0.000 0.783 265 P CB 0.406 32.131 31.700 0.042 0.000 0.898 266 T N 0.000 114.576 114.554 0.037 0.000 3.816 266 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 266 T CA 0.000 62.124 62.100 0.040 0.000 1.349 266 T CB 0.000 68.887 68.868 0.031 0.000 0.612 266 T HN 0.000 nan 8.240 nan 0.000 0.658