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 1nhc_1_E DATA FIRST_RESID 33 DATA SEQUENCE STcTFTSASE ASESISScSD VVLSSIEVPA GETLDLSDAA DGSTITFEGT DATA SEQUENCE TSFGYKEWKG PLIRFGGKDL TVTMADGAVI DGDGSRWWDS KGTNGGKTKP DATA SEQUENCE KFMYIHDVED STFKGINIKN TPVQAISVQA TNVHLNDFTI DNSDGDDNGG DATA SEQUENCE HNTDGFDISE STGVYISGAT VKNQDDcIAI NSGESISFTG GTcSGGHGLS DATA SEQUENCE IGSVGGRDDN TVKNVTISDS TVSNSANGVR IKTIYKETGD VSEITYSNIQ DATA SEQUENCE LSGITDYGIV IEQDYENGSP TGTPSTGIPI TDVTVDGVTG TLEDDATQVY DATA SEQUENCE ILcGDGScSD WTWSGVDLSG GKTSDKcENV PSGASc 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 33 S HA 0.000 nan 4.470 nan 0.000 0.327 33 S C 0.000 174.564 174.600 -0.059 0.000 1.055 33 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 33 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 34 T N 1.339 115.843 114.554 -0.084 0.000 3.318 34 T HA 0.309 4.660 4.350 0.001 0.000 0.304 34 T C -0.458 174.137 174.700 -0.175 0.000 1.051 34 T CA -0.509 61.521 62.100 -0.115 0.000 1.546 34 T CB -0.397 68.418 68.868 -0.087 0.000 0.875 34 T HN 0.888 nan 8.240 nan 0.000 0.578 35 c N 2.665 121.109 118.600 -0.260 0.000 2.576 35 c HA 0.566 5.137 4.570 0.001 0.000 0.401 35 c C 1.132 174.806 174.090 -0.694 0.000 1.314 35 c CA -0.400 55.664 56.329 -0.442 0.000 1.855 35 c CB -0.632 41.565 42.510 -0.523 0.000 2.537 35 c HN 0.654 nan 8.230 nan 0.000 0.578 36 T N 4.271 118.504 114.554 -0.535 0.000 2.770 36 T HA 0.508 4.859 4.350 0.001 0.000 0.283 36 T C -0.586 173.909 174.700 -0.343 0.000 0.988 36 T CA 0.047 61.892 62.100 -0.425 0.000 0.957 36 T CB 0.276 69.028 68.868 -0.193 0.000 0.930 36 T HN 0.438 nan 8.240 nan 0.000 0.443 37 F N 1.806 121.721 119.950 -0.057 0.000 2.436 37 F HA 0.366 4.894 4.527 0.001 0.000 0.340 37 F C 1.684 177.450 175.800 -0.056 0.000 1.113 37 F CA -1.117 56.849 58.000 -0.057 0.000 1.022 37 F CB 1.819 40.777 39.000 -0.070 0.000 1.128 37 F HN 0.569 nan 8.300 nan 0.000 0.466 38 T N -2.416 112.227 114.554 0.148 0.000 3.054 38 T HA 0.196 4.547 4.350 0.001 0.000 0.255 38 T C 0.160 174.880 174.700 0.034 0.000 1.035 38 T CA -0.029 62.108 62.100 0.061 0.000 0.941 38 T CB -0.124 68.764 68.868 0.035 0.000 1.026 38 T HN 0.484 nan 8.240 nan 0.000 0.533 39 S N -0.575 115.145 115.700 0.035 0.000 2.564 39 S HA 0.792 5.263 4.470 0.001 0.000 0.274 39 S C 1.172 175.741 174.600 -0.052 0.000 1.124 39 S CA -0.424 57.767 58.200 -0.016 0.000 0.869 39 S CB 1.491 64.675 63.200 -0.025 0.000 1.105 39 S HN 0.188 nan 8.310 nan 0.000 0.472 40 A N 2.156 124.939 122.820 -0.062 0.000 1.933 40 A HA -0.021 4.300 4.320 0.001 0.000 0.218 40 A C 2.333 179.842 177.584 -0.126 0.000 1.175 40 A CA 2.202 54.190 52.037 -0.081 0.000 0.628 40 A CB -1.590 17.380 19.000 -0.051 0.000 0.814 40 A HN 1.554 nan 8.150 nan 0.000 0.444 41 S N -0.142 115.492 115.700 -0.110 0.000 2.368 41 S HA -0.216 4.254 4.470 0.001 0.000 0.225 41 S C 1.737 176.219 174.600 -0.197 0.000 1.030 41 S CA 1.430 59.555 58.200 -0.125 0.000 0.999 41 S CB -0.534 62.614 63.200 -0.088 0.000 0.844 41 S HN 0.656 nan 8.310 nan 0.000 0.459 42 E N 1.745 121.812 120.200 -0.221 0.000 2.038 42 E HA -0.118 4.233 4.350 0.001 0.000 0.195 42 E C 2.482 178.579 176.600 -0.839 0.000 1.000 42 E CA 1.182 57.365 56.400 -0.361 0.000 0.803 42 E CB -0.486 29.104 29.700 -0.183 0.000 0.750 42 E HN 0.690 nan 8.360 nan 0.000 0.448 43 A N 0.593 122.913 122.820 -0.834 0.000 1.883 43 A HA -0.242 4.079 4.320 0.001 0.000 0.217 43 A C 2.271 179.530 177.584 -0.541 0.000 1.186 43 A CA 2.003 53.462 52.037 -0.963 0.000 0.624 43 A CB -0.813 17.978 19.000 -0.349 0.000 0.822 43 A HN 0.251 nan 8.150 nan 0.000 0.444 44 S N -0.625 114.884 115.700 -0.319 0.000 2.368 44 S HA -0.186 4.284 4.470 0.001 0.000 0.225 44 S C 1.889 176.381 174.600 -0.181 0.000 1.030 44 S CA 1.696 59.782 58.200 -0.191 0.000 0.999 44 S CB -0.367 62.755 63.200 -0.130 0.000 0.844 44 S HN 0.661 nan 8.310 nan 0.000 0.459 45 E N -0.012 120.057 120.200 -0.218 0.000 2.152 45 E HA 0.021 4.372 4.350 0.001 0.000 0.192 45 E C 1.573 178.085 176.600 -0.146 0.000 0.983 45 E CA 1.145 57.452 56.400 -0.155 0.000 0.818 45 E CB 0.041 29.658 29.700 -0.139 0.000 0.758 45 E HN 0.426 nan 8.360 nan 0.000 0.467 46 S N -0.051 115.500 115.700 -0.249 0.000 2.578 46 S HA 0.163 4.634 4.470 0.001 0.000 0.228 46 S C 1.565 176.182 174.600 0.027 0.000 1.022 46 S CA -0.427 57.709 58.200 -0.106 0.000 0.967 46 S CB 0.454 63.623 63.200 -0.053 0.000 0.914 46 S HN 0.175 nan 8.310 nan 0.000 0.515 47 I N 2.749 123.285 120.570 -0.055 0.000 2.264 47 I HA -0.233 3.937 4.170 0.001 0.000 0.248 47 I C 2.334 178.516 176.117 0.110 0.000 1.111 47 I CA 1.582 62.966 61.300 0.140 0.000 1.382 47 I CB -0.096 37.953 38.000 0.083 0.000 1.060 47 I HN 0.414 nan 8.210 nan 0.000 0.418 48 S N -0.291 115.441 115.700 0.054 0.000 2.442 48 S HA -0.147 4.323 4.470 0.001 0.000 0.236 48 S C 1.797 176.428 174.600 0.052 0.000 1.007 48 S CA 1.076 59.305 58.200 0.048 0.000 0.965 48 S CB -0.697 62.520 63.200 0.029 0.000 0.773 48 S HN 0.631 nan 8.310 nan 0.000 0.504 49 S N -0.704 115.034 115.700 0.064 0.000 2.597 49 S HA 0.386 4.856 4.470 0.001 0.000 0.224 49 S C 0.302 174.939 174.600 0.061 0.000 0.955 49 S CA -0.629 57.605 58.200 0.057 0.000 0.933 49 S CB -0.908 62.324 63.200 0.054 0.000 0.788 49 S HN 0.537 nan 8.310 nan 0.000 0.488 50 c N 1.631 120.275 118.600 0.075 0.000 2.507 50 c HA 0.762 5.333 4.570 0.001 0.000 0.319 50 c C 1.561 175.667 174.090 0.028 0.000 1.208 50 c CA -0.325 56.032 56.329 0.048 0.000 1.619 50 c CB 1.522 44.067 42.510 0.059 0.000 2.230 50 c HN 0.587 nan 8.230 nan 0.000 0.492 51 S N -0.529 115.173 115.700 0.004 0.000 2.502 51 S HA 0.096 4.567 4.470 0.001 0.000 0.215 51 S C -0.184 174.406 174.600 -0.017 0.000 1.009 51 S CA 0.451 58.651 58.200 -0.000 0.000 0.908 51 S CB 0.002 63.201 63.200 -0.002 0.000 0.801 51 S HN 0.794 nan 8.310 nan 0.000 0.505 52 D N 1.262 121.639 120.400 -0.039 0.000 2.473 52 D HA 0.507 5.148 4.640 0.001 0.000 0.253 52 D C -1.475 174.758 176.300 -0.111 0.000 1.233 52 D CA -0.306 53.657 54.000 -0.061 0.000 0.908 52 D CB 1.993 42.758 40.800 -0.058 0.000 1.170 52 D HN 0.060 nan 8.370 nan 0.000 0.558 53 V N 3.326 123.170 119.914 -0.116 0.000 2.495 53 V HA 0.547 4.667 4.120 0.001 0.000 0.298 53 V C 0.019 175.991 176.094 -0.202 0.000 1.031 53 V CA -0.832 61.348 62.300 -0.199 0.000 0.871 53 V CB 1.993 33.766 31.823 -0.084 0.000 0.988 53 V HN 0.336 nan 8.190 nan 0.000 0.432 54 V N 6.044 125.787 119.914 -0.286 0.000 2.448 54 V HA 0.467 4.588 4.120 0.001 0.000 0.295 54 V C -0.326 175.645 176.094 -0.205 0.000 1.025 54 V CA -0.483 61.694 62.300 -0.206 0.000 0.859 54 V CB 1.773 33.496 31.823 -0.166 0.000 0.988 54 V HN 0.659 nan 8.190 nan 0.000 0.431 55 L N 3.985 125.100 121.223 -0.180 0.000 2.272 55 L HA 0.460 4.800 4.340 0.001 0.000 0.284 55 L C 0.394 177.235 176.870 -0.049 0.000 1.045 55 L CA 0.043 54.802 54.840 -0.135 0.000 0.842 55 L CB 1.448 43.294 42.059 -0.356 0.000 1.224 55 L HN 0.615 nan 8.230 nan 0.000 0.430 56 S N 1.654 117.346 115.700 -0.014 0.000 2.434 56 S HA 0.220 4.691 4.470 0.001 0.000 0.318 56 S C 0.605 175.215 174.600 0.017 0.000 1.062 56 S CA -0.397 57.806 58.200 0.004 0.000 1.116 56 S CB 0.189 63.383 63.200 -0.010 0.000 0.977 56 S HN 0.681 nan 8.310 nan 0.000 0.480 57 S N 3.271 118.991 115.700 0.033 0.000 3.559 57 S HA -0.174 4.297 4.470 0.001 0.000 0.369 57 S C 0.304 174.900 174.600 -0.007 0.000 0.987 57 S CA 0.382 58.594 58.200 0.020 0.000 1.187 57 S CB -1.746 61.462 63.200 0.014 0.000 0.914 57 S HN 0.794 nan 8.310 nan 0.000 0.480 58 I N 1.602 122.165 120.570 -0.012 0.000 2.533 58 I HA 0.033 4.204 4.170 0.001 0.000 0.284 58 I C 0.910 176.956 176.117 -0.118 0.000 1.109 58 I CA 0.614 61.886 61.300 -0.048 0.000 1.412 58 I CB 0.428 38.406 38.000 -0.037 0.000 1.396 58 I HN 0.276 nan 8.210 nan 0.000 0.543 59 E N 6.187 126.329 120.200 -0.098 0.000 2.028 59 E HA 0.256 4.606 4.350 0.001 0.000 0.266 59 E C -0.833 175.702 176.600 -0.108 0.000 0.962 59 E CA -0.551 55.778 56.400 -0.119 0.000 0.784 59 E CB 1.256 30.920 29.700 -0.060 0.000 1.114 59 E HN 0.334 nan 8.360 nan 0.000 0.414 60 V N 5.031 124.838 119.914 -0.178 0.000 2.521 60 V HA 0.069 4.190 4.120 0.001 0.000 0.286 60 V C -1.918 174.193 176.094 0.028 0.000 1.034 60 V CA -1.487 60.777 62.300 -0.060 0.000 1.045 60 V CB 0.107 31.933 31.823 0.005 0.000 0.974 60 V HN 0.511 nan 8.190 nan 0.000 0.480 61 P HA 0.137 nan 4.420 nan 0.000 0.267 61 P C -0.165 177.144 177.300 0.015 0.000 1.200 61 P CA -0.012 63.088 63.100 0.000 0.000 0.772 61 P CB 0.427 32.103 31.700 -0.040 0.000 0.855 62 A N 2.904 125.728 122.820 0.006 0.000 2.567 62 A HA 0.369 4.690 4.320 0.001 0.000 0.240 62 A C 1.555 178.979 177.584 -0.267 0.000 1.053 62 A CA 0.842 52.862 52.037 -0.028 0.000 0.755 62 A CB -1.481 17.507 19.000 -0.020 0.000 0.978 62 A HN 0.909 nan 8.150 nan 0.000 0.507 63 G N 1.603 110.066 108.800 -0.561 0.000 2.159 63 G HA2 -0.196 3.765 3.960 0.001 0.000 0.256 63 G HA3 -0.196 3.765 3.960 0.001 0.000 0.256 63 G C -0.065 173.937 174.900 -1.497 0.000 0.977 63 G CA 0.634 44.841 45.100 -1.489 0.000 0.652 63 G HN 0.911 nan 8.290 nan 0.000 0.531 64 E N -0.071 119.772 120.200 -0.594 0.000 2.244 64 E HA 0.562 4.913 4.350 0.001 0.000 0.266 64 E C -0.571 176.140 176.600 0.186 0.000 0.914 64 E CA -0.622 55.649 56.400 -0.215 0.000 0.794 64 E CB 1.536 31.174 29.700 -0.104 0.000 1.210 64 E HN 0.084 nan 8.360 nan 0.000 0.414 65 T N 1.872 116.552 114.554 0.210 0.000 2.837 65 T HA 0.189 4.539 4.350 0.001 0.000 0.285 65 T C -0.334 174.413 174.700 0.078 0.000 0.984 65 T CA -0.609 61.602 62.100 0.184 0.000 1.049 65 T CB 0.441 69.377 68.868 0.114 0.000 0.947 65 T HN 0.162 nan 8.240 nan 0.000 0.472 66 L N 4.294 125.562 121.223 0.075 0.000 2.433 66 L HA 0.301 4.641 4.340 0.001 0.000 0.284 66 L C -0.183 176.649 176.870 -0.063 0.000 1.120 66 L CA -0.233 54.618 54.840 0.019 0.000 0.879 66 L CB -0.333 41.771 42.059 0.074 0.000 1.232 66 L HN 0.458 nan 8.230 nan 0.000 0.454 67 D N 4.726 125.086 120.400 -0.067 0.000 2.443 67 D HA 0.190 4.830 4.640 0.001 0.000 0.221 67 D C 0.466 176.712 176.300 -0.090 0.000 1.097 67 D CA -0.076 53.880 54.000 -0.074 0.000 0.865 67 D CB 0.610 41.386 40.800 -0.040 0.000 1.034 67 D HN 0.626 nan 8.370 nan 0.000 0.511 68 L N 2.503 123.651 121.223 -0.124 0.000 2.667 68 L HA 0.057 4.397 4.340 0.001 0.000 0.232 68 L C 2.100 178.978 176.870 0.013 0.000 1.138 68 L CA -0.054 54.733 54.840 -0.088 0.000 0.921 68 L CB -0.003 41.937 42.059 -0.198 0.000 1.180 68 L HN 0.298 nan 8.230 nan 0.000 0.487 69 S N -1.807 113.908 115.700 0.025 0.000 2.469 69 S HA -0.174 4.296 4.470 0.001 0.000 0.238 69 S C 1.269 175.917 174.600 0.081 0.000 0.998 69 S CA 0.904 59.156 58.200 0.086 0.000 0.957 69 S CB -0.187 63.062 63.200 0.082 0.000 0.764 69 S HN 0.405 nan 8.310 nan 0.000 0.514 70 D N 1.911 122.341 120.400 0.050 0.000 2.336 70 D HA 0.404 5.044 4.640 0.001 0.000 0.228 70 D C 0.562 176.895 176.300 0.056 0.000 1.120 70 D CA 0.099 54.126 54.000 0.046 0.000 0.839 70 D CB 0.307 41.120 40.800 0.022 0.000 0.932 70 D HN 0.565 nan 8.370 nan 0.000 0.509 71 A N 0.734 123.601 122.820 0.079 0.000 2.561 71 A HA 0.332 4.652 4.320 0.001 0.000 0.234 71 A C 0.616 178.244 177.584 0.073 0.000 1.055 71 A CA 0.013 52.102 52.037 0.087 0.000 0.756 71 A CB 0.363 19.435 19.000 0.120 0.000 0.986 71 A HN 0.246 nan 8.150 nan 0.000 0.505 72 A N 2.829 125.687 122.820 0.062 0.000 2.440 72 A HA 0.435 4.756 4.320 0.001 0.000 0.251 72 A C 0.009 177.621 177.584 0.047 0.000 1.089 72 A CA -0.475 51.591 52.037 0.049 0.000 0.779 72 A CB -0.094 18.931 19.000 0.041 0.000 1.022 72 A HN 0.833 nan 8.150 nan 0.000 0.492 73 D N 1.174 121.600 120.400 0.043 0.000 2.525 73 D HA 0.353 4.994 4.640 0.001 0.000 0.235 73 D C 1.396 177.714 176.300 0.030 0.000 1.137 73 D CA 2.005 56.029 54.000 0.040 0.000 0.868 73 D CB 0.470 41.293 40.800 0.038 0.000 1.180 73 D HN 1.112 nan 8.370 nan 0.000 0.465 74 G N 1.474 110.289 108.800 0.026 0.000 2.179 74 G HA2 -0.274 3.686 3.960 0.001 0.000 0.260 74 G HA3 -0.274 3.686 3.960 0.001 0.000 0.260 74 G C 0.468 175.373 174.900 0.008 0.000 0.977 74 G CA 0.620 45.729 45.100 0.015 0.000 0.641 74 G HN 0.777 nan 8.290 nan 0.000 0.533 75 S N -0.618 115.089 115.700 0.012 0.000 2.632 75 S HA 0.717 5.187 4.470 0.001 0.000 0.267 75 S C 0.103 174.697 174.600 -0.009 0.000 1.276 75 S CA 0.381 58.584 58.200 0.006 0.000 0.998 75 S CB 2.011 65.223 63.200 0.021 0.000 0.953 75 S HN 0.493 nan 8.310 nan 0.000 0.547 76 T N 1.466 116.010 114.554 -0.016 0.000 2.824 76 T HA 0.601 4.952 4.350 0.001 0.000 0.280 76 T C -0.479 174.206 174.700 -0.025 0.000 0.995 76 T CA -0.433 61.651 62.100 -0.026 0.000 1.009 76 T CB 0.287 69.139 68.868 -0.026 0.000 0.955 76 T HN 0.577 nan 8.240 nan 0.000 0.452 77 I N 2.521 123.080 120.570 -0.020 0.000 2.499 77 I HA 0.373 4.543 4.170 0.001 0.000 0.288 77 I C -0.276 175.834 176.117 -0.011 0.000 1.048 77 I CA -0.611 60.674 61.300 -0.025 0.000 1.062 77 I CB 2.265 40.288 38.000 0.037 0.000 1.238 77 I HN 0.506 nan 8.210 nan 0.000 0.426 78 T N 5.702 120.217 114.554 -0.064 0.000 2.841 78 T HA 0.521 4.872 4.350 0.001 0.000 0.285 78 T C -0.561 174.111 174.700 -0.046 0.000 0.991 78 T CA -0.428 61.679 62.100 0.012 0.000 0.966 78 T CB 0.786 69.659 68.868 0.008 0.000 0.962 78 T HN 0.058 nan 8.240 nan 0.000 0.438 79 F N 2.204 122.191 119.950 0.061 0.000 2.410 79 F HA 0.412 4.939 4.527 0.001 0.000 0.348 79 F C 1.167 176.989 175.800 0.036 0.000 1.106 79 F CA -0.499 57.537 58.000 0.060 0.000 1.163 79 F CB 0.823 39.874 39.000 0.085 0.000 1.129 79 F HN 0.432 nan 8.300 nan 0.000 0.516 80 E N 1.007 121.309 120.200 0.169 0.000 2.277 80 E HA 0.553 4.904 4.350 0.001 0.000 0.266 80 E C 0.407 177.069 176.600 0.102 0.000 0.901 80 E CA -0.321 56.142 56.400 0.106 0.000 0.782 80 E CB 2.109 31.836 29.700 0.045 0.000 1.228 80 E HN 0.769 nan 8.360 nan 0.000 0.424 81 G N 1.548 110.394 108.800 0.075 0.000 2.566 81 G HA2 -0.270 3.691 3.960 0.001 0.000 0.280 81 G HA3 -0.270 3.691 3.960 0.001 0.000 0.280 81 G C -0.328 174.615 174.900 0.071 0.000 1.225 81 G CA 0.059 45.194 45.100 0.058 0.000 0.966 81 G HN 0.492 nan 8.290 nan 0.000 0.560 82 T N 1.363 115.950 114.554 0.055 0.000 2.770 82 T HA 0.615 4.966 4.350 0.001 0.000 0.283 82 T C 0.052 174.774 174.700 0.036 0.000 0.988 82 T CA 0.267 62.398 62.100 0.052 0.000 0.957 82 T CB 1.444 70.333 68.868 0.035 0.000 0.930 82 T HN 0.710 nan 8.240 nan 0.000 0.443 83 T N 3.680 118.264 114.554 0.051 0.000 2.771 83 T HA 0.589 4.940 4.350 0.001 0.000 0.291 83 T C 0.287 174.871 174.700 -0.194 0.000 0.954 83 T CA -0.641 61.434 62.100 -0.043 0.000 1.045 83 T CB 0.665 69.585 68.868 0.088 0.000 0.917 83 T HN 0.711 nan 8.240 nan 0.000 0.484 84 S N 2.067 117.510 115.700 -0.429 0.000 2.697 84 S HA 0.887 5.357 4.470 0.001 0.000 0.289 84 S C -1.433 172.674 174.600 -0.822 0.000 1.149 84 S CA -0.968 57.000 58.200 -0.386 0.000 0.850 84 S CB 1.261 64.416 63.200 -0.075 0.000 1.151 84 S HN 0.435 nan 8.310 nan 0.000 0.491 85 F N -0.174 119.876 119.950 0.167 0.000 2.578 85 F HA 0.699 5.226 4.527 0.001 0.000 0.311 85 F C 0.841 176.771 175.800 0.216 0.000 1.094 85 F CA -0.624 57.494 58.000 0.196 0.000 0.923 85 F CB 1.766 40.925 39.000 0.264 0.000 1.230 85 F HN 0.986 nan 8.300 nan 0.000 0.450 86 G N 0.287 109.282 108.800 0.324 0.000 2.569 86 G HA2 0.175 4.135 3.960 0.001 0.000 0.249 86 G HA3 0.175 4.135 3.960 0.001 0.000 0.249 86 G C -1.641 173.453 174.900 0.325 0.000 1.216 86 G CA -0.210 45.032 45.100 0.237 0.000 0.845 86 G HN 0.628 nan 8.290 nan 0.000 0.568 87 Y N 1.015 121.347 120.300 0.053 0.000 2.393 87 Y HA 0.469 5.020 4.550 0.001 0.000 0.338 87 Y C 0.487 176.412 175.900 0.043 0.000 1.029 87 Y CA 0.059 58.114 58.100 -0.074 0.000 1.239 87 Y CB 0.603 38.867 38.460 -0.327 0.000 1.170 87 Y HN 0.455 nan 8.280 nan 0.000 0.515 88 K N 4.574 124.776 120.400 -0.331 0.000 2.542 88 K HA 0.241 4.562 4.320 0.001 0.000 0.259 88 K C -1.479 175.156 176.600 0.058 0.000 0.932 88 K CA -0.665 55.487 56.287 -0.224 0.000 0.820 88 K CB 1.353 33.766 32.500 -0.144 0.000 1.345 88 K HN 0.679 nan 8.250 nan 0.000 0.432 89 E N 4.754 124.953 120.200 -0.001 0.000 1.893 89 E HA 0.140 4.490 4.350 0.001 0.000 0.269 89 E C -0.732 176.060 176.600 0.320 0.000 1.129 89 E CA -0.276 56.264 56.400 0.234 0.000 0.904 89 E CB 0.339 30.123 29.700 0.140 0.000 1.077 89 E HN 0.369 nan 8.360 nan 0.000 0.407 90 W N 1.940 123.260 121.300 0.033 0.000 2.988 90 W HA 0.352 5.012 4.660 0.001 0.000 0.355 90 W C -0.405 176.074 176.519 -0.067 0.000 1.233 90 W CA -1.155 56.180 57.345 -0.017 0.000 1.176 90 W CB 0.288 29.734 29.460 -0.024 0.000 1.477 90 W HN 0.072 nan 8.180 nan 0.000 0.582 91 K N 1.191 121.443 120.400 -0.246 0.000 2.418 91 K HA 0.299 4.620 4.320 0.001 0.000 0.195 91 K C 1.191 177.289 176.600 -0.837 0.000 1.035 91 K CA 0.983 57.014 56.287 -0.427 0.000 1.003 91 K CB 0.021 32.422 32.500 -0.166 0.000 0.793 91 K HN 0.811 nan 8.250 nan 0.000 0.494 92 G N 2.434 110.184 108.800 -1.750 0.000 2.642 92 G HA2 -0.226 3.734 3.960 0.001 0.000 0.231 92 G HA3 -0.226 3.734 3.960 0.001 0.000 0.231 92 G C -2.751 171.527 174.900 -1.037 0.000 1.338 92 G CA -0.720 43.294 45.100 -1.811 0.000 0.883 92 G HN 0.065 nan 8.290 nan 0.000 0.570 93 P HA 0.463 nan 4.420 nan 0.000 0.279 93 P C 1.161 178.080 177.300 -0.636 0.000 1.252 93 P CA -0.644 61.874 63.100 -0.970 0.000 0.811 93 P CB 0.891 31.736 31.700 -1.425 0.000 1.035 94 L N 0.452 121.304 121.223 -0.617 0.000 2.179 94 L HA 0.129 4.470 4.340 0.001 0.000 0.208 94 L C 1.016 177.724 176.870 -0.269 0.000 1.096 94 L CA 1.145 55.724 54.840 -0.435 0.000 0.779 94 L CB -0.232 41.261 42.059 -0.944 0.000 0.922 94 L HN 0.309 nan 8.230 nan 0.000 0.443 95 I N -0.659 119.660 120.570 -0.418 0.000 2.569 95 I HA 0.331 4.501 4.170 0.001 0.000 0.290 95 I C -0.383 175.561 176.117 -0.289 0.000 1.088 95 I CA -0.536 60.593 61.300 -0.286 0.000 1.047 95 I CB 2.516 40.343 38.000 -0.288 0.000 1.237 95 I HN -0.045 nan 8.210 nan 0.000 0.421 96 R N 5.542 125.891 120.500 -0.250 0.000 2.513 96 R HA 0.610 4.950 4.340 0.001 0.000 0.301 96 R C -1.840 174.367 176.300 -0.155 0.000 0.968 96 R CA -0.398 55.630 56.100 -0.121 0.000 0.872 96 R CB 1.383 31.649 30.300 -0.056 0.000 1.177 96 R HN 0.376 nan 8.270 nan 0.000 0.444 97 F N 1.351 121.399 119.950 0.163 0.000 2.457 97 F HA 0.789 5.317 4.527 0.001 0.000 0.330 97 F C 0.978 176.895 175.800 0.196 0.000 1.069 97 F CA -0.064 58.070 58.000 0.223 0.000 1.009 97 F CB 2.394 41.618 39.000 0.373 0.000 1.276 97 F HN 0.676 nan 8.300 nan 0.000 0.492 98 G N -0.404 108.639 108.800 0.406 0.000 2.596 98 G HA2 0.559 4.519 3.960 0.001 0.000 0.296 98 G HA3 0.559 4.519 3.960 0.001 0.000 0.296 98 G C -0.990 174.046 174.900 0.227 0.000 1.513 98 G CA -0.036 45.226 45.100 0.270 0.000 0.851 98 G HN 1.223 nan 8.290 nan 0.000 0.548 99 G N -0.373 108.534 108.800 0.177 0.000 2.343 99 G HA2 0.493 4.453 3.960 0.001 0.000 0.465 99 G HA3 0.493 4.453 3.960 0.001 0.000 0.465 99 G C -1.160 173.813 174.900 0.122 0.000 1.282 99 G CA -0.121 45.060 45.100 0.135 0.000 0.996 99 G HN 1.032 nan 8.290 nan 0.000 0.521 100 K N -0.137 120.317 120.400 0.090 0.000 2.426 100 K HA 0.568 4.888 4.320 0.001 0.000 0.251 100 K C -0.489 176.146 176.600 0.058 0.000 0.941 100 K CA -0.067 56.266 56.287 0.077 0.000 0.808 100 K CB 1.214 33.752 32.500 0.065 0.000 1.265 100 K HN 0.592 nan 8.250 nan 0.000 0.432 101 D N 1.725 122.158 120.400 0.055 0.000 2.800 101 D HA -0.183 4.458 4.640 0.001 0.000 0.232 101 D C -0.471 175.838 176.300 0.014 0.000 1.137 101 D CA 0.992 55.014 54.000 0.037 0.000 0.718 101 D CB -1.246 39.572 40.800 0.031 0.000 1.084 101 D HN 0.395 nan 8.370 nan 0.000 0.432 102 L N -0.470 120.751 121.223 -0.003 0.000 2.399 102 L HA 0.528 4.869 4.340 0.001 0.000 0.265 102 L C 0.970 177.768 176.870 -0.119 0.000 1.089 102 L CA -0.211 54.594 54.840 -0.058 0.000 0.802 102 L CB 1.363 43.370 42.059 -0.087 0.000 1.180 102 L HN -0.201 nan 8.230 nan 0.000 0.454 103 T N 1.331 115.807 114.554 -0.131 0.000 2.847 103 T HA 0.505 4.855 4.350 0.001 0.000 0.291 103 T C -0.621 173.976 174.700 -0.173 0.000 0.998 103 T CA -0.376 61.642 62.100 -0.137 0.000 0.967 103 T CB 1.603 70.435 68.868 -0.060 0.000 0.954 103 T HN 0.210 nan 8.240 nan 0.000 0.441 104 V N 3.267 123.009 119.914 -0.286 0.000 2.444 104 V HA 0.818 4.939 4.120 0.001 0.000 0.294 104 V C 0.236 176.336 176.094 0.011 0.000 1.022 104 V CA -0.482 61.704 62.300 -0.190 0.000 0.850 104 V CB 1.753 33.241 31.823 -0.558 0.000 0.992 104 V HN 0.939 nan 8.190 nan 0.000 0.426 105 T N 4.925 119.553 114.554 0.123 0.000 2.681 105 T HA 0.757 5.107 4.350 0.001 0.000 0.296 105 T C -1.377 173.449 174.700 0.210 0.000 1.157 105 T CA -0.546 61.635 62.100 0.134 0.000 1.025 105 T CB 1.849 70.762 68.868 0.077 0.000 1.441 105 T HN 0.515 nan 8.240 nan 0.000 0.504 106 M N 1.657 121.343 119.600 0.142 0.000 2.446 106 M HA 0.624 5.104 4.480 0.001 0.000 0.294 106 M C -0.121 176.238 176.300 0.098 0.000 1.158 106 M CA -1.012 54.382 55.300 0.157 0.000 0.899 106 M CB 2.072 34.736 32.600 0.107 0.000 1.687 106 M HN 0.779 nan 8.290 nan 0.000 0.455 107 A N 1.172 124.050 122.820 0.097 0.000 2.466 107 A HA 0.178 4.498 4.320 0.001 0.000 0.238 107 A C -0.398 177.218 177.584 0.054 0.000 1.074 107 A CA -0.130 51.945 52.037 0.063 0.000 0.774 107 A CB 0.021 19.055 19.000 0.056 0.000 1.015 107 A HN 0.772 nan 8.150 nan 0.000 0.498 108 D N 0.689 121.113 120.400 0.040 0.000 2.472 108 D HA 0.355 4.996 4.640 0.001 0.000 0.248 108 D C 1.355 177.675 176.300 0.034 0.000 1.174 108 D CA 2.003 56.023 54.000 0.034 0.000 0.883 108 D CB 0.568 41.384 40.800 0.027 0.000 1.149 108 D HN 1.078 nan 8.370 nan 0.000 0.488 109 G N 1.714 110.534 108.800 0.034 0.000 2.225 109 G HA2 -0.239 3.721 3.960 0.001 0.000 0.254 109 G HA3 -0.239 3.721 3.960 0.001 0.000 0.254 109 G C 0.597 175.521 174.900 0.040 0.000 0.988 109 G CA 0.262 45.382 45.100 0.034 0.000 0.625 109 G HN 0.869 nan 8.290 nan 0.000 0.527 110 A N -0.610 122.240 122.820 0.050 0.000 2.466 110 A HA 0.710 5.030 4.320 0.001 0.000 0.238 110 A C 0.374 177.988 177.584 0.051 0.000 1.074 110 A CA 0.854 52.930 52.037 0.065 0.000 0.774 110 A CB 1.291 20.350 19.000 0.099 0.000 1.015 110 A HN 1.751 nan 8.150 nan 0.000 0.498 111 V N 2.512 122.460 119.914 0.057 0.000 3.087 111 V HA 0.581 4.702 4.120 0.001 0.000 0.306 111 V C -1.187 174.946 176.094 0.065 0.000 1.187 111 V CA -0.679 61.647 62.300 0.044 0.000 0.999 111 V CB 2.060 33.911 31.823 0.048 0.000 1.049 111 V HN 0.740 nan 8.190 nan 0.000 0.431 112 I N 4.545 125.159 120.570 0.073 0.000 2.354 112 I HA 0.452 4.622 4.170 0.001 0.000 0.286 112 I C -1.106 175.175 176.117 0.272 0.000 1.007 112 I CA -0.278 61.137 61.300 0.192 0.000 1.167 112 I CB 1.543 39.664 38.000 0.202 0.000 1.320 112 I HN 0.513 nan 8.210 nan 0.000 0.458 113 D N 4.982 125.557 120.400 0.291 0.000 2.414 113 D HA 0.279 4.919 4.640 0.001 0.000 0.232 113 D C 0.974 177.519 176.300 0.409 0.000 1.070 113 D CA -0.396 53.750 54.000 0.243 0.000 0.839 113 D CB 2.037 42.926 40.800 0.148 0.000 1.079 113 D HN 0.665 nan 8.370 nan 0.000 0.521 114 G N 2.638 111.635 108.800 0.329 0.000 2.650 114 G HA2 -0.158 3.803 3.960 0.001 0.000 0.214 114 G HA3 -0.158 3.803 3.960 0.001 0.000 0.214 114 G C 0.738 175.823 174.900 0.309 0.000 1.136 114 G CA 0.117 45.431 45.100 0.358 0.000 0.789 114 G HN 0.665 nan 8.290 nan 0.000 0.536 115 D N -0.340 120.154 120.400 0.157 0.000 2.704 115 D HA -0.143 4.498 4.640 0.001 0.000 0.232 115 D C 1.644 177.912 176.300 -0.053 0.000 1.183 115 D CA 0.888 54.912 54.000 0.039 0.000 0.647 115 D CB -1.218 39.641 40.800 0.098 0.000 1.013 115 D HN 0.272 nan 8.370 nan 0.000 0.415 116 G N -0.152 108.452 108.800 -0.325 0.000 2.509 116 G HA2 -0.179 3.781 3.960 0.001 0.000 0.218 116 G HA3 -0.179 3.781 3.960 0.001 0.000 0.218 116 G C 1.625 175.672 174.900 -1.421 0.000 1.124 116 G CA 1.035 45.768 45.100 -0.612 0.000 0.776 116 G HN 0.600 nan 8.290 nan 0.000 0.547 117 S N 0.694 115.538 115.700 -1.427 0.000 2.419 117 S HA -0.113 4.358 4.470 0.001 0.000 0.233 117 S C 2.181 176.588 174.600 -0.322 0.000 1.016 117 S CA 0.924 58.651 58.200 -0.788 0.000 0.974 117 S CB -0.311 62.709 63.200 -0.299 0.000 0.786 117 S HN 0.486 nan 8.310 nan 0.000 0.492 118 R N -0.038 120.266 120.500 -0.326 0.000 2.105 118 R HA -0.015 4.325 4.340 0.001 0.000 0.239 118 R C 2.013 178.153 176.300 -0.266 0.000 1.135 118 R CA 1.898 57.734 56.100 -0.441 0.000 0.967 118 R CB -0.249 29.593 30.300 -0.763 0.000 0.861 118 R HN 0.597 nan 8.270 nan 0.000 0.442 119 W N -0.746 120.557 121.300 0.004 0.000 2.630 119 W HA 0.051 4.711 4.660 0.001 0.000 0.271 119 W C 0.070 176.706 176.519 0.195 0.000 1.244 119 W CA -0.751 56.693 57.345 0.164 0.000 1.353 119 W CB -0.181 29.368 29.460 0.148 0.000 1.080 119 W HN 0.017 nan 8.180 nan 0.000 0.594 120 W N 3.556 125.041 121.300 0.308 0.000 2.343 120 W HA 0.016 4.676 4.660 0.001 0.000 0.337 120 W C 0.735 177.331 176.519 0.128 0.000 1.320 120 W CA 0.224 57.680 57.345 0.185 0.000 1.290 120 W CB -0.304 29.236 29.460 0.132 0.000 1.206 120 W HN 0.123 nan 8.180 nan 0.000 0.565 121 D N -1.222 119.374 120.400 0.328 0.000 2.615 121 D HA 0.046 4.687 4.640 0.001 0.000 0.274 121 D C 0.501 176.857 176.300 0.092 0.000 1.512 121 D CA -0.145 53.965 54.000 0.183 0.000 0.803 121 D CB -0.204 40.695 40.800 0.164 0.000 1.182 121 D HN 0.181 nan 8.370 nan 0.000 0.473 122 S N -0.476 115.264 115.700 0.068 0.000 2.981 122 S HA -0.244 4.226 4.470 0.001 0.000 0.274 122 S C 1.100 175.574 174.600 -0.209 0.000 1.297 122 S CA 1.563 59.729 58.200 -0.057 0.000 1.266 122 S CB -1.163 62.001 63.200 -0.059 0.000 1.542 122 S HN 0.565 nan 8.310 nan 0.000 0.674 123 K N 0.490 120.843 120.400 -0.079 0.000 2.391 123 K HA 0.389 4.709 4.320 0.001 0.000 0.197 123 K C 1.677 178.323 176.600 0.077 0.000 1.087 123 K CA 0.396 56.626 56.287 -0.095 0.000 1.012 123 K CB 0.473 32.968 32.500 -0.009 0.000 0.925 123 K HN 0.445 nan 8.250 nan 0.000 0.547 124 G N 1.932 110.830 108.800 0.164 0.000 2.651 124 G HA2 -0.445 3.515 3.960 0.001 0.000 0.315 124 G HA3 -0.445 3.515 3.960 0.001 0.000 0.315 124 G C 0.982 175.967 174.900 0.142 0.000 1.258 124 G CA 1.433 46.655 45.100 0.203 0.000 1.002 124 G HN 0.327 nan 8.290 nan 0.000 0.551 125 T N -1.447 113.180 114.554 0.122 0.000 3.129 125 T HA 0.162 4.513 4.350 0.001 0.000 0.251 125 T C 1.625 176.375 174.700 0.083 0.000 1.117 125 T CA 1.312 63.458 62.100 0.076 0.000 1.034 125 T CB -0.013 68.881 68.868 0.043 0.000 0.968 125 T HN 0.415 nan 8.240 nan 0.000 0.526 126 N N 1.531 120.297 118.700 0.109 0.000 2.424 126 N HA 0.334 5.075 4.740 0.001 0.000 0.178 126 N C 0.964 176.512 175.510 0.064 0.000 1.060 126 N CA 0.701 53.804 53.050 0.089 0.000 0.901 126 N CB 0.612 39.163 38.487 0.107 0.000 0.979 126 N HN 0.719 nan 8.380 nan 0.000 0.451 127 G N -2.204 106.636 108.800 0.066 0.000 2.325 127 G HA2 0.436 4.397 3.960 0.001 0.000 0.295 127 G HA3 0.436 4.397 3.960 0.001 0.000 0.295 127 G C -0.064 174.879 174.900 0.072 0.000 1.274 127 G CA 0.139 45.274 45.100 0.058 0.000 0.857 127 G HN 0.378 nan 8.290 nan 0.000 0.499 128 G N -0.387 108.455 108.800 0.069 0.000 2.528 128 G HA2 -0.151 3.810 3.960 0.001 0.000 0.262 128 G HA3 -0.151 3.810 3.960 0.001 0.000 0.262 128 G C 0.298 175.264 174.900 0.111 0.000 1.200 128 G CA 0.604 45.756 45.100 0.088 0.000 0.951 128 G HN 1.035 nan 8.290 nan 0.000 0.566 129 K N 0.788 121.279 120.400 0.153 0.000 2.414 129 K HA 0.402 4.723 4.320 0.001 0.000 0.272 129 K C 0.446 177.152 176.600 0.178 0.000 0.993 129 K CA 0.562 56.965 56.287 0.192 0.000 0.964 129 K CB 0.259 32.935 32.500 0.293 0.000 0.925 129 K HN 0.473 nan 8.250 nan 0.000 0.487 130 T N 3.650 118.302 114.554 0.163 0.000 2.834 130 T HA 0.107 4.458 4.350 0.001 0.000 0.298 130 T C -0.220 174.554 174.700 0.123 0.000 0.966 130 T CA -0.071 62.097 62.100 0.114 0.000 1.141 130 T CB 0.233 69.165 68.868 0.106 0.000 0.905 130 T HN 0.318 nan 8.240 nan 0.000 0.535 131 K N 4.598 124.980 120.400 -0.030 0.000 2.397 131 K HA 0.427 4.747 4.320 0.001 0.000 0.253 131 K C -2.728 173.593 176.600 -0.466 0.000 0.932 131 K CA -2.150 53.965 56.287 -0.286 0.000 0.795 131 K CB 2.089 34.495 32.500 -0.156 0.000 1.159 131 K HN 0.304 nan 8.250 nan 0.000 0.424 132 P HA 0.111 nan 4.420 nan 0.000 0.280 132 P C -0.834 176.098 177.300 -0.613 0.000 1.244 132 P CA -0.538 62.070 63.100 -0.820 0.000 0.784 132 P CB 0.706 31.740 31.700 -1.109 0.000 0.913 133 K N 2.332 122.427 120.400 -0.509 0.000 2.440 133 K HA 0.049 4.370 4.320 0.001 0.000 0.270 133 K C 0.681 177.045 176.600 -0.393 0.000 0.980 133 K CA 0.071 56.160 56.287 -0.331 0.000 0.953 133 K CB -0.125 32.230 32.500 -0.241 0.000 0.925 133 K HN 0.466 nan 8.250 nan 0.000 0.497 134 F N 1.136 120.864 119.950 -0.369 0.000 2.231 134 F HA 0.210 4.738 4.527 0.001 0.000 0.267 134 F C 0.724 176.347 175.800 -0.294 0.000 1.108 134 F CA 0.402 58.177 58.000 -0.376 0.000 1.098 134 F CB 0.262 39.099 39.000 -0.271 0.000 1.088 134 F HN 0.411 nan 8.300 nan 0.000 0.541 135 M N 0.923 120.471 119.600 -0.088 0.000 2.125 135 M HA 0.295 4.776 4.480 0.001 0.000 0.321 135 M C -2.104 174.306 176.300 0.183 0.000 0.983 135 M CA -0.724 54.533 55.300 -0.072 0.000 0.934 135 M CB 0.919 33.578 32.600 0.098 0.000 1.542 135 M HN 0.091 nan 8.290 nan 0.000 0.424 136 Y N 5.960 126.182 120.300 -0.131 0.000 2.404 136 Y HA 0.384 4.935 4.550 0.001 0.000 0.344 136 Y C -0.054 175.867 175.900 0.034 0.000 0.970 136 Y CA -1.008 56.915 58.100 -0.294 0.000 1.180 136 Y CB 0.600 38.652 38.460 -0.680 0.000 1.138 136 Y HN 0.579 nan 8.280 nan 0.000 0.510 137 I N 5.674 126.403 120.570 0.264 0.000 2.318 137 I HA 0.205 4.375 4.170 0.001 0.000 0.285 137 I C -0.102 176.224 176.117 0.348 0.000 1.127 137 I CA 0.105 61.552 61.300 0.244 0.000 1.243 137 I CB -0.194 37.757 38.000 -0.082 0.000 1.498 137 I HN 0.558 nan 8.210 nan 0.000 0.535 138 H N 4.317 123.472 119.070 0.142 0.000 2.622 138 H HA 0.221 4.778 4.556 0.001 0.000 0.363 138 H C -0.447 174.945 175.328 0.107 0.000 1.151 138 H CA -1.128 54.955 56.048 0.057 0.000 1.184 138 H CB 1.788 31.550 29.762 0.001 0.000 1.643 138 H HN 0.423 nan 8.280 nan 0.000 0.531 139 D N 1.171 121.673 120.400 0.170 0.000 2.723 139 D HA -0.147 4.494 4.640 0.001 0.000 0.236 139 D C -0.811 175.587 176.300 0.162 0.000 1.138 139 D CA 0.452 54.534 54.000 0.138 0.000 0.676 139 D CB -1.182 39.706 40.800 0.147 0.000 1.069 139 D HN 0.056 nan 8.370 nan 0.000 0.430 140 V N 0.287 120.300 119.914 0.165 0.000 2.656 140 V HA 0.495 4.616 4.120 0.001 0.000 0.307 140 V C 0.069 176.249 176.094 0.143 0.000 1.051 140 V CA -0.546 61.870 62.300 0.194 0.000 0.893 140 V CB 2.581 34.577 31.823 0.288 0.000 0.999 140 V HN 0.011 nan 8.190 nan 0.000 0.426 141 E N 2.108 122.387 120.200 0.132 0.000 2.340 141 E HA 0.556 4.907 4.350 0.001 0.000 0.273 141 E C -0.925 175.743 176.600 0.113 0.000 0.891 141 E CA -0.706 55.756 56.400 0.104 0.000 0.757 141 E CB 1.317 31.062 29.700 0.076 0.000 1.231 141 E HN 0.631 nan 8.360 nan 0.000 0.439 142 D N 0.516 120.985 120.400 0.116 0.000 2.689 142 D HA -0.146 4.495 4.640 0.001 0.000 0.237 142 D C -0.815 175.561 176.300 0.127 0.000 1.148 142 D CA 1.096 55.168 54.000 0.121 0.000 0.656 142 D CB -1.288 39.564 40.800 0.086 0.000 1.050 142 D HN 0.254 nan 8.370 nan 0.000 0.426 143 S N -0.897 114.905 115.700 0.170 0.000 2.632 143 S HA 0.757 5.228 4.470 0.001 0.000 0.289 143 S C 0.000 174.733 174.600 0.221 0.000 1.115 143 S CA -0.655 57.627 58.200 0.138 0.000 0.889 143 S CB 2.786 66.049 63.200 0.106 0.000 1.116 143 S HN 0.066 nan 8.310 nan 0.000 0.486 144 T N 2.112 116.728 114.554 0.104 0.000 2.841 144 T HA 0.603 4.953 4.350 0.001 0.000 0.285 144 T C -1.485 173.257 174.700 0.071 0.000 0.991 144 T CA -0.271 61.949 62.100 0.199 0.000 0.966 144 T CB 0.287 69.229 68.868 0.122 0.000 0.962 144 T HN 0.341 nan 8.240 nan 0.000 0.438 145 F N 2.749 122.809 119.950 0.183 0.000 2.444 145 F HA 0.568 5.095 4.527 0.001 0.000 0.342 145 F C 0.618 176.603 175.800 0.309 0.000 1.121 145 F CA -0.922 57.214 58.000 0.227 0.000 0.997 145 F CB 1.507 40.723 39.000 0.359 0.000 1.130 145 F HN 0.180 nan 8.300 nan 0.000 0.454 146 K N 1.259 121.847 120.400 0.312 0.000 2.471 146 K HA 0.558 4.879 4.320 0.001 0.000 0.252 146 K C 0.247 176.927 176.600 0.134 0.000 0.938 146 K CA -0.801 55.629 56.287 0.238 0.000 0.796 146 K CB 2.076 34.662 32.500 0.143 0.000 1.161 146 K HN 0.804 nan 8.250 nan 0.000 0.425 147 G N 2.918 111.796 108.800 0.130 0.000 2.273 147 G HA2 -0.217 3.744 3.960 0.001 0.000 0.280 147 G HA3 -0.217 3.744 3.960 0.001 0.000 0.280 147 G C 0.038 174.887 174.900 -0.085 0.000 1.047 147 G CA -0.395 44.732 45.100 0.044 0.000 0.869 147 G HN 0.434 nan 8.290 nan 0.000 0.502 148 I N 0.682 121.048 120.570 -0.340 0.000 2.452 148 I HA 0.184 4.355 4.170 0.001 0.000 0.287 148 I C 0.500 176.389 176.117 -0.380 0.000 1.079 148 I CA -0.880 60.097 61.300 -0.538 0.000 1.387 148 I CB 0.689 37.995 38.000 -1.155 0.000 1.404 148 I HN 0.247 nan 8.210 nan 0.000 0.522 149 N N 7.677 126.258 118.700 -0.197 0.000 2.476 149 N HA 0.555 5.296 4.740 0.001 0.000 0.257 149 N C -1.126 174.348 175.510 -0.060 0.000 0.970 149 N CA -0.293 52.705 53.050 -0.087 0.000 0.938 149 N CB 0.927 39.394 38.487 -0.033 0.000 1.144 149 N HN 0.456 nan 8.380 nan 0.000 0.500 150 I N 2.312 122.856 120.570 -0.043 0.000 2.608 150 I HA 0.417 4.588 4.170 0.001 0.000 0.295 150 I C -0.550 175.537 176.117 -0.049 0.000 1.049 150 I CA -0.888 60.390 61.300 -0.037 0.000 1.063 150 I CB 2.064 40.012 38.000 -0.085 0.000 1.248 150 I HN 0.478 nan 8.210 nan 0.000 0.424 151 K N 4.207 124.583 120.400 -0.039 0.000 2.464 151 K HA 0.540 4.861 4.320 0.001 0.000 0.253 151 K C -0.891 175.687 176.600 -0.036 0.000 0.933 151 K CA -0.745 55.531 56.287 -0.019 0.000 0.801 151 K CB 1.540 34.062 32.500 0.036 0.000 1.271 151 K HN 0.496 nan 8.250 nan 0.000 0.430 152 N N 1.116 119.838 118.700 0.035 0.000 2.681 152 N HA -0.145 4.595 4.740 0.001 0.000 0.259 152 N C -0.965 174.543 175.510 -0.003 0.000 1.066 152 N CA 1.530 54.670 53.050 0.151 0.000 0.717 152 N CB -1.486 37.043 38.487 0.070 0.000 0.885 152 N HN 0.966 nan 8.380 nan 0.000 0.547 153 T N -2.884 111.610 114.554 -0.101 0.000 2.918 153 T HA 0.368 4.719 4.350 0.001 0.000 0.302 153 T C -1.209 173.518 174.700 0.045 0.000 1.045 153 T CA -1.415 60.510 62.100 -0.291 0.000 1.114 153 T CB 1.878 70.400 68.868 -0.578 0.000 0.965 153 T HN -0.117 nan 8.240 nan 0.000 0.540 154 P HA -0.045 nan 4.420 nan 0.000 0.215 154 P C 1.067 178.479 177.300 0.185 0.000 1.157 154 P CA 1.161 64.212 63.100 -0.082 0.000 0.868 154 P CB -0.036 31.222 31.700 -0.737 0.000 0.788 155 V N -5.295 114.615 119.914 -0.008 0.000 6.943 155 V HA 0.341 4.462 4.120 0.001 0.000 0.278 155 V C -0.415 175.646 176.094 -0.054 0.000 1.688 155 V CA -0.818 61.479 62.300 -0.005 0.000 0.601 155 V CB -0.890 30.908 31.823 -0.042 0.000 1.621 155 V HN -0.311 nan 8.190 nan 0.000 0.359 156 Q N 0.841 120.604 119.800 -0.063 0.000 2.361 156 Q HA 0.591 4.931 4.340 0.001 0.000 0.276 156 Q C 0.815 176.786 176.000 -0.048 0.000 1.022 156 Q CA 0.740 56.507 55.803 -0.061 0.000 0.898 156 Q CB 1.051 29.771 28.738 -0.030 0.000 1.246 156 Q HN 0.810 nan 8.270 nan 0.000 0.410 157 A N 3.667 126.432 122.820 -0.091 0.000 1.849 157 A HA 0.111 4.432 4.320 0.001 0.000 0.214 157 A C 0.327 177.959 177.584 0.080 0.000 1.269 157 A CA 0.660 52.638 52.037 -0.098 0.000 0.605 157 A CB 0.313 19.170 19.000 -0.239 0.000 0.937 157 A HN 0.646 nan 8.150 nan 0.000 0.461 158 I N 0.528 121.069 120.570 -0.049 0.000 2.362 158 I HA 0.345 4.515 4.170 0.001 0.000 0.289 158 I C -0.209 175.950 176.117 0.070 0.000 0.994 158 I CA 0.061 61.374 61.300 0.022 0.000 1.158 158 I CB 1.021 38.935 38.000 -0.145 0.000 1.315 158 I HN 0.186 nan 8.210 nan 0.000 0.451 159 S N 6.327 122.117 115.700 0.149 0.000 2.422 159 S HA 0.576 5.046 4.470 0.001 0.000 0.308 159 S C -0.582 174.123 174.600 0.175 0.000 1.097 159 S CA -0.418 57.871 58.200 0.148 0.000 1.099 159 S CB 0.591 63.885 63.200 0.156 0.000 0.976 159 S HN 0.329 nan 8.310 nan 0.000 0.471 160 V N 6.528 126.493 119.914 0.086 0.000 2.347 160 V HA 0.481 4.602 4.120 0.001 0.000 0.280 160 V C -0.245 175.799 176.094 -0.082 0.000 1.021 160 V CA -0.459 61.862 62.300 0.036 0.000 0.847 160 V CB 1.316 33.134 31.823 -0.007 0.000 0.990 160 V HN 0.869 nan 8.190 nan 0.000 0.444 161 Q N 3.786 123.509 119.800 -0.128 0.000 2.891 161 Q HA 0.736 5.077 4.340 0.001 0.000 0.242 161 Q C -0.538 175.392 176.000 -0.116 0.000 0.959 161 Q CA -0.132 55.521 55.803 -0.251 0.000 0.707 161 Q CB 2.187 30.571 28.738 -0.590 0.000 1.283 161 Q HN 0.921 nan 8.270 nan 0.000 0.480 162 A N 0.887 123.660 122.820 -0.080 0.000 2.588 162 A HA 0.899 5.220 4.320 0.001 0.000 0.290 162 A C -1.004 176.553 177.584 -0.044 0.000 1.136 162 A CA -0.592 51.429 52.037 -0.026 0.000 0.681 162 A CB 2.091 21.094 19.000 0.005 0.000 1.282 162 A HN 0.235 nan 8.150 nan 0.000 0.421 163 T N 1.629 116.179 114.554 -0.007 0.000 2.881 163 T HA 0.525 4.876 4.350 0.001 0.000 0.291 163 T C -0.294 174.418 174.700 0.020 0.000 0.990 163 T CA 0.007 62.099 62.100 -0.012 0.000 0.976 163 T CB 0.849 69.721 68.868 0.006 0.000 0.970 163 T HN 1.382 nan 8.240 nan 0.000 0.438 164 N N 1.836 120.538 118.700 0.003 0.000 2.681 164 N HA -0.158 4.582 4.740 0.001 0.000 0.259 164 N C -0.522 175.060 175.510 0.120 0.000 1.066 164 N CA 0.837 53.943 53.050 0.094 0.000 0.717 164 N CB -1.194 37.370 38.487 0.128 0.000 0.885 164 N HN 0.660 nan 8.380 nan 0.000 0.547 165 V N -0.504 119.427 119.914 0.027 0.000 2.735 165 V HA 0.682 4.802 4.120 0.001 0.000 0.310 165 V C -0.145 175.946 176.094 -0.006 0.000 1.061 165 V CA -0.868 61.492 62.300 0.100 0.000 0.913 165 V CB 2.088 33.974 31.823 0.106 0.000 1.005 165 V HN 0.318 nan 8.190 nan 0.000 0.428 166 H N 4.926 124.133 119.070 0.229 0.000 2.511 166 H HA 0.566 5.122 4.556 0.001 0.000 0.328 166 H C -1.041 174.391 175.328 0.174 0.000 1.044 166 H CA -0.454 55.709 56.048 0.192 0.000 1.212 166 H CB 2.122 31.976 29.762 0.152 0.000 1.428 166 H HN 0.609 nan 8.280 nan 0.000 0.483 167 L N 4.434 125.709 121.223 0.087 0.000 2.337 167 L HA 0.296 4.636 4.340 0.001 0.000 0.269 167 L C -0.322 176.521 176.870 -0.045 0.000 1.018 167 L CA -0.651 54.139 54.840 -0.083 0.000 0.876 167 L CB 0.421 42.134 42.059 -0.577 0.000 1.236 167 L HN 0.435 nan 8.230 nan 0.000 0.436 168 N N 2.144 121.013 118.700 0.282 0.000 2.362 168 N HA 0.258 4.999 4.740 0.001 0.000 0.298 168 N C -0.365 175.365 175.510 0.367 0.000 1.048 168 N CA -0.583 52.607 53.050 0.233 0.000 0.858 168 N CB 1.796 40.388 38.487 0.176 0.000 1.218 168 N HN 0.376 nan 8.380 nan 0.000 0.488 169 D N 0.249 120.796 120.400 0.246 0.000 2.772 169 D HA -0.199 4.441 4.640 0.001 0.000 0.233 169 D C -0.635 175.866 176.300 0.334 0.000 1.143 169 D CA 0.892 55.029 54.000 0.227 0.000 0.700 169 D CB -1.461 39.429 40.800 0.150 0.000 1.076 169 D HN 0.312 nan 8.370 nan 0.000 0.430 170 F N 0.447 120.484 119.950 0.144 0.000 2.459 170 F HA 0.304 4.831 4.527 0.001 0.000 0.346 170 F C 1.521 177.400 175.800 0.132 0.000 1.128 170 F CA 0.002 58.105 58.000 0.171 0.000 1.268 170 F CB 0.961 40.149 39.000 0.313 0.000 1.161 170 F HN -0.319 nan 8.300 nan 0.000 0.583 171 T N 5.233 119.897 114.554 0.184 0.000 2.815 171 T HA 0.561 4.912 4.350 0.001 0.000 0.289 171 T C -0.256 174.487 174.700 0.071 0.000 1.000 171 T CA -0.378 61.796 62.100 0.123 0.000 0.958 171 T CB 0.532 69.440 68.868 0.067 0.000 0.944 171 T HN 0.276 nan 8.240 nan 0.000 0.442 172 I N 3.365 123.977 120.570 0.070 0.000 2.464 172 I HA 0.262 4.433 4.170 0.001 0.000 0.277 172 I C -0.466 175.645 176.117 -0.010 0.000 1.040 172 I CA -0.646 60.646 61.300 -0.013 0.000 1.153 172 I CB 1.033 38.994 38.000 -0.065 0.000 1.274 172 I HN 0.463 nan 8.210 nan 0.000 0.469 173 D N 5.568 125.962 120.400 -0.011 0.000 2.467 173 D HA 0.198 4.838 4.640 0.001 0.000 0.220 173 D C 0.126 176.439 176.300 0.022 0.000 1.103 173 D CA -0.153 53.855 54.000 0.013 0.000 0.886 173 D CB 0.664 41.481 40.800 0.029 0.000 1.025 173 D HN 0.273 nan 8.370 nan 0.000 0.514 174 N N 1.345 120.049 118.700 0.006 0.000 2.273 174 N HA -0.044 4.697 4.740 0.001 0.000 0.231 174 N C 1.482 176.977 175.510 -0.024 0.000 1.134 174 N CA 0.035 53.099 53.050 0.024 0.000 0.856 174 N CB 0.632 39.088 38.487 -0.051 0.000 1.068 174 N HN 0.388 nan 8.380 nan 0.000 0.510 175 S N -0.093 115.611 115.700 0.007 0.000 2.400 175 S HA -0.140 4.331 4.470 0.001 0.000 0.232 175 S C 1.289 175.893 174.600 0.007 0.000 1.025 175 S CA 1.004 59.200 58.200 -0.006 0.000 0.993 175 S CB -0.049 63.160 63.200 0.016 0.000 0.808 175 S HN 0.036 nan 8.310 nan 0.000 0.478 176 D N 2.062 122.515 120.400 0.089 0.000 2.263 176 D HA 0.019 4.660 4.640 0.001 0.000 0.208 176 D C 1.997 178.349 176.300 0.086 0.000 0.971 176 D CA 1.160 55.262 54.000 0.170 0.000 0.867 176 D CB -0.944 40.056 40.800 0.334 0.000 0.929 176 D HN 0.610 nan 8.370 nan 0.000 0.492 177 G N 0.436 109.069 108.800 -0.278 0.000 2.509 177 G HA2 -0.207 3.754 3.960 0.001 0.000 0.218 177 G HA3 -0.207 3.754 3.960 0.001 0.000 0.218 177 G C 1.249 175.935 174.900 -0.356 0.000 1.124 177 G CA 0.364 44.980 45.100 -0.806 0.000 0.776 177 G HN 0.154 nan 8.290 nan 0.000 0.547 178 D N 1.018 121.313 120.400 -0.176 0.000 2.144 178 D HA -0.057 4.584 4.640 0.001 0.000 0.200 178 D C 1.317 177.586 176.300 -0.052 0.000 0.978 178 D CA 0.975 54.913 54.000 -0.102 0.000 0.833 178 D CB 0.019 40.785 40.800 -0.057 0.000 0.961 178 D HN 0.211 nan 8.370 nan 0.000 0.470 179 D N -0.759 119.633 120.400 -0.014 0.000 2.407 179 D HA 0.070 4.711 4.640 0.001 0.000 0.208 179 D C 0.659 176.996 176.300 0.061 0.000 1.083 179 D CA 0.055 54.070 54.000 0.024 0.000 0.844 179 D CB 0.172 40.995 40.800 0.038 0.000 0.967 179 D HN 0.094 nan 8.370 nan 0.000 0.506 180 N N -0.073 118.683 118.700 0.093 0.000 2.235 180 N HA 0.194 4.935 4.740 0.001 0.000 0.231 180 N C 0.785 176.449 175.510 0.257 0.000 1.177 180 N CA 0.254 53.436 53.050 0.220 0.000 0.874 180 N CB 1.990 40.718 38.487 0.401 0.000 1.097 180 N HN 0.117 nan 8.380 nan 0.000 0.518 181 G N 0.457 109.291 108.800 0.056 0.000 2.131 181 G HA2 -0.202 3.759 3.960 0.001 0.000 0.223 181 G HA3 -0.202 3.759 3.960 0.001 0.000 0.223 181 G C 0.435 175.248 174.900 -0.144 0.000 0.990 181 G CA -0.252 44.874 45.100 0.043 0.000 0.671 181 G HN 0.468 nan 8.290 nan 0.000 0.521 182 G N -0.421 108.013 108.800 -0.611 0.000 2.398 182 G HA2 0.528 4.489 3.960 0.001 0.000 0.246 182 G HA3 0.528 4.489 3.960 0.001 0.000 0.246 182 G C -0.415 174.259 174.900 -0.377 0.000 1.289 182 G CA 0.642 45.096 45.100 -1.077 0.000 0.869 182 G HN 1.017 nan 8.290 nan 0.000 0.543 183 H N 0.095 118.944 119.070 -0.368 0.000 3.038 183 H HA 0.256 4.813 4.556 0.001 0.000 0.362 183 H C 0.356 175.597 175.328 -0.145 0.000 1.167 183 H CA -0.489 55.442 56.048 -0.195 0.000 1.197 183 H CB 0.880 30.586 29.762 -0.093 0.000 1.840 183 H HN 0.706 nan 8.280 nan 0.000 0.540 184 N N 1.453 119.882 118.700 -0.453 0.000 2.735 184 N HA -0.186 4.555 4.740 0.001 0.000 0.248 184 N C -0.603 174.798 175.510 -0.182 0.000 1.083 184 N CA 1.018 53.907 53.050 -0.268 0.000 0.703 184 N CB -0.846 37.577 38.487 -0.106 0.000 1.005 184 N HN 0.668 nan 8.380 nan 0.000 0.550 185 T N -3.010 111.406 114.554 -0.230 0.000 3.341 185 T HA 0.188 4.539 4.350 0.001 0.000 0.234 185 T C -0.054 174.542 174.700 -0.174 0.000 0.890 185 T CA -0.730 61.264 62.100 -0.177 0.000 0.952 185 T CB -0.028 68.712 68.868 -0.214 0.000 1.146 185 T HN 0.040 nan 8.240 nan 0.000 0.591 186 D N 1.451 121.756 120.400 -0.158 0.000 2.515 186 D HA 0.254 4.895 4.640 0.001 0.000 0.232 186 D C 1.517 177.741 176.300 -0.126 0.000 1.157 186 D CA 0.586 54.510 54.000 -0.128 0.000 0.871 186 D CB 0.441 41.188 40.800 -0.088 0.000 1.200 186 D HN 0.343 nan 8.370 nan 0.000 0.466 187 G N 0.721 109.460 108.800 -0.101 0.000 2.547 187 G HA2 -0.036 3.924 3.960 0.001 0.000 0.214 187 G HA3 -0.036 3.924 3.960 0.001 0.000 0.214 187 G C -0.077 174.613 174.900 -0.349 0.000 1.254 187 G CA 0.252 45.244 45.100 -0.181 0.000 0.817 187 G HN 0.405 nan 8.290 nan 0.000 0.551 188 F N 0.963 120.894 119.950 -0.032 0.000 2.507 188 F HA 0.439 4.967 4.527 0.001 0.000 0.328 188 F C -1.163 174.597 175.800 -0.066 0.000 1.136 188 F CA -1.115 56.860 58.000 -0.042 0.000 0.930 188 F CB 2.330 41.294 39.000 -0.061 0.000 1.166 188 F HN -0.070 nan 8.300 nan 0.000 0.436 189 D N 4.743 125.204 120.400 0.102 0.000 2.381 189 D HA 0.498 5.139 4.640 0.001 0.000 0.235 189 D C -0.392 175.919 176.300 0.019 0.000 1.068 189 D CA -0.009 54.011 54.000 0.033 0.000 0.832 189 D CB 2.122 42.928 40.800 0.010 0.000 1.101 189 D HN 0.332 nan 8.370 nan 0.000 0.515 190 I N 1.614 122.171 120.570 -0.022 0.000 2.433 190 I HA 0.370 4.540 4.170 0.001 0.000 0.292 190 I C 0.094 176.158 176.117 -0.088 0.000 1.001 190 I CA -0.428 60.836 61.300 -0.061 0.000 1.119 190 I CB 1.657 39.605 38.000 -0.086 0.000 1.289 190 I HN 0.290 nan 8.210 nan 0.000 0.438 191 S N 2.544 118.176 115.700 -0.113 0.000 2.565 191 S HA 0.426 4.897 4.470 0.001 0.000 0.269 191 S C -0.554 173.961 174.600 -0.141 0.000 1.153 191 S CA -0.894 57.234 58.200 -0.120 0.000 0.835 191 S CB 1.754 64.884 63.200 -0.118 0.000 1.122 191 S HN 0.750 nan 8.310 nan 0.000 0.462 192 E N -0.087 120.040 120.200 -0.123 0.000 2.328 192 E HA -0.159 4.192 4.350 0.001 0.000 0.233 192 E C -0.715 175.812 176.600 -0.121 0.000 1.219 192 E CA 0.973 57.300 56.400 -0.120 0.000 0.717 192 E CB -1.843 27.772 29.700 -0.141 0.000 1.210 192 E HN 0.589 nan 8.360 nan 0.000 0.381 193 S N -0.352 115.277 115.700 -0.118 0.000 2.570 193 S HA 0.626 5.097 4.470 0.001 0.000 0.286 193 S C -0.267 174.259 174.600 -0.123 0.000 1.099 193 S CA -0.710 57.416 58.200 -0.122 0.000 0.913 193 S CB 2.420 65.534 63.200 -0.143 0.000 1.085 193 S HN 0.120 nan 8.310 nan 0.000 0.480 194 T N 1.465 115.947 114.554 -0.121 0.000 2.949 194 T HA 0.637 4.987 4.350 0.001 0.000 0.300 194 T C 0.081 174.686 174.700 -0.159 0.000 0.988 194 T CA -0.051 61.977 62.100 -0.121 0.000 0.993 194 T CB 1.177 70.004 68.868 -0.069 0.000 0.984 194 T HN 1.243 nan 8.240 nan 0.000 0.442 195 G N 2.153 110.793 108.800 -0.267 0.000 2.734 195 G HA2 -0.087 3.874 3.960 0.001 0.000 0.277 195 G HA3 -0.087 3.874 3.960 0.001 0.000 0.277 195 G C -0.500 173.938 174.900 -0.770 0.000 1.099 195 G CA -0.632 44.194 45.100 -0.458 0.000 1.218 195 G HN 0.837 nan 8.290 nan 0.000 0.554 196 V N 2.200 121.530 119.914 -0.972 0.000 2.376 196 V HA 0.564 4.685 4.120 0.001 0.000 0.287 196 V C -0.458 175.089 176.094 -0.913 0.000 1.015 196 V CA -0.912 60.935 62.300 -0.754 0.000 0.834 196 V CB 1.228 32.803 31.823 -0.414 0.000 1.001 196 V HN 0.444 nan 8.190 nan 0.000 0.428 197 Y N 5.166 125.270 120.300 -0.328 0.000 2.478 197 Y HA 0.627 5.178 4.550 0.001 0.000 0.329 197 Y C 0.079 175.824 175.900 -0.259 0.000 0.967 197 Y CA -0.661 57.263 58.100 -0.294 0.000 1.255 197 Y CB 1.089 39.317 38.460 -0.386 0.000 1.103 197 Y HN 0.460 nan 8.280 nan 0.000 0.497 198 I N 2.658 123.100 120.570 -0.213 0.000 2.336 198 I HA 0.430 4.601 4.170 0.001 0.000 0.292 198 I C 0.027 175.925 176.117 -0.365 0.000 0.991 198 I CA -0.309 60.766 61.300 -0.376 0.000 1.227 198 I CB 1.558 39.199 38.000 -0.597 0.000 1.366 198 I HN 0.489 nan 8.210 nan 0.000 0.466 199 S N 3.875 119.406 115.700 -0.281 0.000 2.547 199 S HA 0.641 5.112 4.470 0.001 0.000 0.281 199 S C 0.406 174.897 174.600 -0.181 0.000 1.118 199 S CA 0.132 58.191 58.200 -0.236 0.000 0.947 199 S CB 1.550 64.699 63.200 -0.085 0.000 1.053 199 S HN 1.104 nan 8.310 nan 0.000 0.482 200 G N 2.124 110.802 108.800 -0.202 0.000 2.225 200 G HA2 -0.098 3.863 3.960 0.001 0.000 0.267 200 G HA3 -0.098 3.863 3.960 0.001 0.000 0.267 200 G C 0.369 175.256 174.900 -0.022 0.000 1.024 200 G CA 0.256 45.302 45.100 -0.089 0.000 0.784 200 G HN 1.385 nan 8.290 nan 0.000 0.507 201 A N -0.428 122.336 122.820 -0.093 0.000 2.388 201 A HA 0.723 5.044 4.320 0.001 0.000 0.257 201 A C 0.607 178.293 177.584 0.169 0.000 1.095 201 A CA 0.919 53.037 52.037 0.134 0.000 0.791 201 A CB 0.703 19.845 19.000 0.235 0.000 1.029 201 A HN 0.741 nan 8.150 nan 0.000 0.489 202 T N 1.804 116.486 114.554 0.213 0.000 2.809 202 T HA 0.537 4.888 4.350 0.001 0.000 0.284 202 T C -0.889 173.919 174.700 0.181 0.000 0.992 202 T CA -0.236 61.965 62.100 0.169 0.000 0.957 202 T CB 1.048 69.986 68.868 0.116 0.000 0.942 202 T HN 0.486 nan 8.240 nan 0.000 0.439 203 V N 4.694 124.709 119.914 0.169 0.000 2.525 203 V HA 0.479 4.600 4.120 0.001 0.000 0.299 203 V C -0.535 175.598 176.094 0.066 0.000 1.034 203 V CA -0.972 61.401 62.300 0.122 0.000 0.863 203 V CB 1.868 33.785 31.823 0.157 0.000 0.999 203 V HN 0.735 nan 8.190 nan 0.000 0.423 204 K N 5.257 125.674 120.400 0.027 0.000 2.483 204 K HA 0.640 4.960 4.320 0.001 0.000 0.256 204 K C -0.502 176.074 176.600 -0.040 0.000 0.961 204 K CA -0.587 55.702 56.287 0.002 0.000 0.873 204 K CB 1.613 34.120 32.500 0.011 0.000 1.107 204 K HN 0.858 nan 8.250 nan 0.000 0.432 205 N N 1.031 119.689 118.700 -0.070 0.000 3.526 205 N HA 0.121 4.862 4.740 0.001 0.000 0.328 205 N C -0.461 174.945 175.510 -0.175 0.000 1.601 205 N CA -0.651 52.319 53.050 -0.134 0.000 0.834 205 N CB 0.557 38.960 38.487 -0.140 0.000 1.983 205 N HN 0.186 nan 8.380 nan 0.000 0.579 206 Q N -0.633 119.013 119.800 -0.257 0.000 2.149 206 Q HA 0.486 4.826 4.340 0.001 0.000 0.221 206 Q C -1.040 174.629 176.000 -0.551 0.000 0.807 206 Q CA -0.120 55.498 55.803 -0.309 0.000 1.000 206 Q CB 0.817 29.378 28.738 -0.295 0.000 1.157 206 Q HN 0.573 nan 8.270 nan 0.000 0.487 207 D N -1.023 119.058 120.400 -0.532 0.000 3.158 207 D HA 0.119 4.760 4.640 0.001 0.000 0.314 207 D C -0.947 175.138 176.300 -0.357 0.000 1.308 207 D CA -0.509 53.029 54.000 -0.769 0.000 1.001 207 D CB 1.350 41.828 40.800 -0.536 0.000 1.389 207 D HN -0.187 nan 8.370 nan 0.000 0.595 208 D N 0.741 121.031 120.400 -0.184 0.000 2.525 208 D HA -0.043 4.597 4.640 0.001 0.000 0.235 208 D C 1.089 177.349 176.300 -0.066 0.000 1.137 208 D CA 0.088 54.055 54.000 -0.054 0.000 0.868 208 D CB 1.066 41.846 40.800 -0.033 0.000 1.180 208 D HN 0.316 nan 8.370 nan 0.000 0.465 209 c N 3.119 121.689 118.600 -0.050 0.000 2.436 209 c HA -0.013 4.557 4.570 0.001 0.000 0.277 209 c C 1.069 175.147 174.090 -0.020 0.000 1.241 209 c CA 0.426 56.736 56.329 -0.032 0.000 1.721 209 c CB -0.608 41.864 42.510 -0.064 0.000 2.043 209 c HN 0.628 nan 8.230 nan 0.000 0.472 210 I N -1.344 119.140 120.570 -0.144 0.000 2.730 210 I HA 0.740 4.911 4.170 0.001 0.000 0.298 210 I C -0.806 175.251 176.117 -0.101 0.000 1.089 210 I CA -0.780 60.448 61.300 -0.119 0.000 1.041 210 I CB 2.120 39.910 38.000 -0.350 0.000 1.235 210 I HN 0.135 nan 8.210 nan 0.000 0.423 211 A N 6.496 129.280 122.820 -0.059 0.000 2.385 211 A HA 0.743 5.063 4.320 0.001 0.000 0.290 211 A C -0.903 176.641 177.584 -0.067 0.000 1.094 211 A CA -0.419 51.580 52.037 -0.063 0.000 0.729 211 A CB 0.838 19.809 19.000 -0.047 0.000 1.194 211 A HN 0.713 nan 8.150 nan 0.000 0.442 212 I N 3.486 124.005 120.570 -0.085 0.000 2.307 212 I HA 0.164 4.335 4.170 0.001 0.000 0.287 212 I C 0.455 176.523 176.117 -0.081 0.000 1.054 212 I CA -0.548 60.697 61.300 -0.092 0.000 1.218 212 I CB 1.038 38.969 38.000 -0.114 0.000 1.398 212 I HN 0.686 nan 8.210 nan 0.000 0.475 213 N N 3.581 122.237 118.700 -0.075 0.000 2.376 213 N HA -0.000 4.741 4.740 0.001 0.000 0.177 213 N C 0.258 175.727 175.510 -0.069 0.000 1.024 213 N CA 0.463 53.472 53.050 -0.068 0.000 0.893 213 N CB 0.381 38.831 38.487 -0.061 0.000 0.980 213 N HN 0.681 nan 8.380 nan 0.000 0.439 214 S N -1.766 113.887 115.700 -0.079 0.000 2.567 214 S HA 0.757 5.228 4.470 0.001 0.000 0.270 214 S C -0.393 174.151 174.600 -0.094 0.000 1.152 214 S CA -0.269 57.884 58.200 -0.079 0.000 0.835 214 S CB 2.382 65.538 63.200 -0.073 0.000 1.115 214 S HN 0.390 nan 8.310 nan 0.000 0.459 215 G N 0.034 108.779 108.800 -0.093 0.000 2.353 215 G HA2 0.406 4.366 3.960 0.001 0.000 0.308 215 G HA3 0.406 4.366 3.960 0.001 0.000 0.308 215 G C -2.066 172.771 174.900 -0.104 0.000 1.418 215 G CA -0.527 44.509 45.100 -0.106 0.000 0.966 215 G HN 0.955 nan 8.290 nan 0.000 0.638 216 E N -0.336 119.797 120.200 -0.112 0.000 2.272 216 E HA 0.613 4.963 4.350 0.001 0.000 0.269 216 E C -0.079 176.443 176.600 -0.129 0.000 0.877 216 E CA -0.111 56.228 56.400 -0.101 0.000 0.755 216 E CB 1.352 31.008 29.700 -0.074 0.000 1.192 216 E HN 1.355 nan 8.360 nan 0.000 0.422 217 S N 2.469 118.097 115.700 -0.120 0.000 3.727 217 S HA -0.165 4.305 4.470 0.001 0.000 0.444 217 S C -0.445 173.995 174.600 -0.265 0.000 0.867 217 S CA 0.505 58.628 58.200 -0.128 0.000 1.324 217 S CB -1.607 61.551 63.200 -0.069 0.000 0.890 217 S HN 0.502 nan 8.310 nan 0.000 0.599 218 I N 1.917 122.348 120.570 -0.230 0.000 2.433 218 I HA 0.582 4.752 4.170 0.001 0.000 0.292 218 I C 0.363 176.360 176.117 -0.200 0.000 1.001 218 I CA -0.378 60.752 61.300 -0.283 0.000 1.119 218 I CB 2.149 40.011 38.000 -0.230 0.000 1.289 218 I HN 0.431 nan 8.210 nan 0.000 0.438 219 S N 5.469 121.059 115.700 -0.183 0.000 2.526 219 S HA 0.740 5.211 4.470 0.001 0.000 0.293 219 S C -1.041 173.537 174.600 -0.037 0.000 1.092 219 S CA -0.693 57.469 58.200 -0.063 0.000 0.980 219 S CB 2.123 65.352 63.200 0.049 0.000 1.048 219 S HN 0.497 nan 8.310 nan 0.000 0.483 220 F N 1.726 121.569 119.950 -0.178 0.000 2.612 220 F HA 0.643 5.171 4.527 0.001 0.000 0.332 220 F C -0.522 175.206 175.800 -0.120 0.000 1.167 220 F CA 0.090 57.976 58.000 -0.191 0.000 0.970 220 F CB 1.883 40.754 39.000 -0.215 0.000 1.234 220 F HN 0.841 nan 8.300 nan 0.000 0.453 221 T N 3.277 117.575 114.554 -0.427 0.000 2.903 221 T HA 0.534 4.885 4.350 0.001 0.000 0.299 221 T C 0.344 174.832 174.700 -0.354 0.000 1.093 221 T CA 0.160 62.102 62.100 -0.264 0.000 1.002 221 T CB 1.381 70.172 68.868 -0.128 0.000 1.127 221 T HN 1.445 nan 8.240 nan 0.000 0.488 222 G N 1.655 110.340 108.800 -0.191 0.000 2.198 222 G HA2 -0.115 3.845 3.960 0.001 0.000 0.260 222 G HA3 -0.115 3.845 3.960 0.001 0.000 0.260 222 G C 0.498 175.293 174.900 -0.175 0.000 1.025 222 G CA 0.270 45.283 45.100 -0.144 0.000 0.769 222 G HN 1.102 nan 8.290 nan 0.000 0.507 223 G N -1.291 107.375 108.800 -0.222 0.000 2.476 223 G HA2 0.612 4.572 3.960 0.001 0.000 0.286 223 G HA3 0.612 4.572 3.960 0.001 0.000 0.286 223 G C -0.237 174.727 174.900 0.108 0.000 1.177 223 G CA 0.354 45.391 45.100 -0.106 0.000 0.870 223 G HN 0.587 nan 8.290 nan 0.000 0.528 224 T N 0.514 115.154 114.554 0.143 0.000 2.892 224 T HA 0.354 4.705 4.350 0.001 0.000 0.311 224 T C -0.585 174.208 174.700 0.154 0.000 1.033 224 T CA -0.261 61.915 62.100 0.127 0.000 0.991 224 T CB 0.542 69.461 68.868 0.085 0.000 0.981 224 T HN 0.560 nan 8.240 nan 0.000 0.457 225 c N 3.753 122.439 118.600 0.143 0.000 2.329 225 c HA 0.891 5.461 4.570 0.001 0.000 0.329 225 c C 0.581 174.712 174.090 0.068 0.000 1.275 225 c CA -0.798 55.600 56.329 0.115 0.000 1.726 225 c CB -0.060 42.508 42.510 0.098 0.000 2.291 225 c HN 0.981 nan 8.230 nan 0.000 0.514 226 S N 1.194 116.923 115.700 0.049 0.000 2.564 226 S HA 0.808 5.279 4.470 0.001 0.000 0.274 226 S C 0.370 174.975 174.600 0.009 0.000 1.124 226 S CA 0.270 58.488 58.200 0.029 0.000 0.869 226 S CB 1.493 64.710 63.200 0.029 0.000 1.105 226 S HN 2.151 nan 8.310 nan 0.000 0.472 227 G N 0.770 109.573 108.800 0.005 0.000 2.347 227 G HA2 -0.189 3.771 3.960 0.001 0.000 0.247 227 G HA3 -0.189 3.771 3.960 0.001 0.000 0.247 227 G C 0.737 175.629 174.900 -0.012 0.000 1.037 227 G CA 0.599 45.692 45.100 -0.011 0.000 0.622 227 G HN 1.518 nan 8.290 nan 0.000 0.521 228 G N -1.523 107.269 108.800 -0.012 0.000 3.182 228 G HA2 0.533 4.494 3.960 0.001 0.000 0.167 228 G HA3 0.533 4.494 3.960 0.001 0.000 0.167 228 G C 0.460 175.446 174.900 0.144 0.000 1.537 228 G CA 0.466 45.538 45.100 -0.046 0.000 1.046 228 G HN 0.496 nan 8.290 nan 0.000 0.580 229 H N -0.448 118.596 119.070 -0.043 0.000 2.755 229 H HA 0.376 4.933 4.556 0.001 0.000 0.273 229 H C 1.289 176.601 175.328 -0.027 0.000 1.055 229 H CA -0.174 55.857 56.048 -0.028 0.000 1.191 229 H CB 0.785 30.525 29.762 -0.036 0.000 1.536 229 H HN 0.906 nan 8.280 nan 0.000 0.529 230 G N 1.314 110.159 108.800 0.075 0.000 2.587 230 G HA2 -0.238 3.722 3.960 0.001 0.000 0.212 230 G HA3 -0.238 3.722 3.960 0.001 0.000 0.212 230 G C -0.866 174.010 174.900 -0.039 0.000 1.327 230 G CA -0.817 44.290 45.100 0.012 0.000 0.898 230 G HN 0.116 nan 8.290 nan 0.000 0.551 231 L N 1.457 122.644 121.223 -0.060 0.000 2.272 231 L HA 0.571 4.912 4.340 0.001 0.000 0.284 231 L C 0.260 177.122 176.870 -0.014 0.000 1.045 231 L CA -0.387 54.398 54.840 -0.092 0.000 0.842 231 L CB 1.268 43.305 42.059 -0.037 0.000 1.224 231 L HN 0.495 nan 8.230 nan 0.000 0.430 232 S N 3.643 119.314 115.700 -0.047 0.000 2.503 232 S HA 0.646 5.116 4.470 0.001 0.000 0.301 232 S C -0.318 174.261 174.600 -0.035 0.000 1.087 232 S CA -0.525 57.660 58.200 -0.025 0.000 1.042 232 S CB 2.156 65.328 63.200 -0.046 0.000 1.043 232 S HN 0.323 nan 8.310 nan 0.000 0.489 233 I N 2.526 123.085 120.570 -0.017 0.000 2.354 233 I HA 0.643 4.814 4.170 0.001 0.000 0.292 233 I C 0.688 176.759 176.117 -0.077 0.000 0.989 233 I CA 0.354 61.624 61.300 -0.049 0.000 1.188 233 I CB 1.207 39.188 38.000 -0.031 0.000 1.342 233 I HN 0.924 nan 8.210 nan 0.000 0.457 234 G N 3.755 112.503 108.800 -0.086 0.000 2.631 234 G HA2 -0.168 3.793 3.960 0.001 0.000 0.504 234 G HA3 -0.168 3.793 3.960 0.001 0.000 0.504 234 G C -0.549 174.277 174.900 -0.123 0.000 1.306 234 G CA -0.938 44.098 45.100 -0.108 0.000 0.897 234 G HN 0.538 nan 8.290 nan 0.000 0.520 235 S N -0.765 114.849 115.700 -0.142 0.000 2.537 235 S HA 0.406 4.877 4.470 0.001 0.000 0.286 235 S C 0.688 175.243 174.600 -0.076 0.000 1.299 235 S CA -0.116 57.995 58.200 -0.148 0.000 1.067 235 S CB 1.072 64.201 63.200 -0.118 0.000 0.864 235 S HN 1.076 nan 8.310 nan 0.000 0.494 236 V N 3.392 123.268 119.914 -0.062 0.000 2.439 236 V HA 0.836 4.956 4.120 0.001 0.000 0.282 236 V C 0.671 176.756 176.094 -0.014 0.000 1.039 236 V CA 0.231 62.508 62.300 -0.038 0.000 0.913 236 V CB 0.610 32.412 31.823 -0.034 0.000 0.983 236 V HN 1.165 nan 8.190 nan 0.000 0.460 237 G N 2.927 111.719 108.800 -0.013 0.000 2.465 237 G HA2 0.500 4.460 3.960 0.001 0.000 0.681 237 G HA3 0.500 4.460 3.960 0.001 0.000 0.681 237 G C 0.436 175.337 174.900 0.002 0.000 1.340 237 G CA -0.322 44.776 45.100 -0.003 0.000 0.884 237 G HN 1.841 nan 8.290 nan 0.000 0.650 238 G N -0.510 108.290 108.800 -0.000 0.000 2.168 238 G HA2 -0.216 3.745 3.960 0.001 0.000 0.263 238 G HA3 -0.216 3.745 3.960 0.001 0.000 0.263 238 G C 0.615 175.514 174.900 -0.002 0.000 0.977 238 G CA 1.759 46.861 45.100 0.003 0.000 0.659 238 G HN 0.946 nan 8.290 nan 0.000 0.533 239 R N -0.907 119.586 120.500 -0.011 0.000 2.843 239 R HA 0.526 4.866 4.340 0.001 0.000 0.232 239 R C 0.689 176.976 176.300 -0.022 0.000 1.305 239 R CA -0.515 55.575 56.100 -0.018 0.000 1.096 239 R CB 0.332 30.616 30.300 -0.027 0.000 1.455 239 R HN -0.027 nan 8.270 nan 0.000 0.520 240 D N 0.135 120.518 120.400 -0.028 0.000 2.178 240 D HA -0.086 4.554 4.640 0.001 0.000 0.202 240 D C -0.238 176.042 176.300 -0.034 0.000 0.974 240 D CA 1.573 55.555 54.000 -0.029 0.000 0.841 240 D CB 0.063 40.842 40.800 -0.034 0.000 0.953 240 D HN 0.275 nan 8.370 nan 0.000 0.478 241 D N -0.282 120.094 120.400 -0.041 0.000 2.593 241 D HA 0.184 4.824 4.640 0.001 0.000 0.251 241 D C -0.673 175.602 176.300 -0.042 0.000 1.140 241 D CA -0.485 53.489 54.000 -0.044 0.000 0.855 241 D CB 0.595 41.360 40.800 -0.057 0.000 1.267 241 D HN -0.227 nan 8.370 nan 0.000 0.532 242 N N 2.499 121.178 118.700 -0.036 0.000 2.365 242 N HA 0.109 4.850 4.740 0.001 0.000 0.257 242 N C -0.812 174.678 175.510 -0.033 0.000 1.287 242 N CA -0.192 52.838 53.050 -0.033 0.000 0.882 242 N CB 1.404 39.876 38.487 -0.025 0.000 1.250 242 N HN 0.248 nan 8.380 nan 0.000 0.507 243 T N 0.861 115.392 114.554 -0.039 0.000 2.786 243 T HA 0.435 4.785 4.350 0.001 0.000 0.283 243 T C -0.122 174.549 174.700 -0.050 0.000 0.992 243 T CA -0.337 61.740 62.100 -0.038 0.000 0.954 243 T CB 2.423 71.270 68.868 -0.035 0.000 0.934 243 T HN -0.259 nan 8.240 nan 0.000 0.440 244 V N 4.235 124.119 119.914 -0.049 0.000 2.487 244 V HA 0.663 4.784 4.120 0.001 0.000 0.298 244 V C -0.144 175.914 176.094 -0.060 0.000 1.028 244 V CA -0.750 61.511 62.300 -0.064 0.000 0.860 244 V CB 1.702 33.485 31.823 -0.068 0.000 0.991 244 V HN 0.764 nan 8.190 nan 0.000 0.427 245 K N 4.164 124.522 120.400 -0.069 0.000 2.535 245 K HA 0.472 4.793 4.320 0.001 0.000 0.251 245 K C -0.491 176.065 176.600 -0.074 0.000 0.942 245 K CA -0.651 55.600 56.287 -0.061 0.000 0.798 245 K CB 1.170 33.644 32.500 -0.044 0.000 1.267 245 K HN 0.575 nan 8.250 nan 0.000 0.434 246 N N 1.982 120.638 118.700 -0.074 0.000 2.643 246 N HA -0.127 4.613 4.740 0.001 0.000 0.267 246 N C -2.094 173.352 175.510 -0.105 0.000 1.158 246 N CA 0.654 53.658 53.050 -0.076 0.000 0.684 246 N CB -0.720 37.734 38.487 -0.054 0.000 0.879 246 N HN 0.263 nan 8.380 nan 0.000 0.553 247 V N 1.662 121.494 119.914 -0.137 0.000 2.540 247 V HA 0.650 4.771 4.120 0.001 0.000 0.302 247 V C 0.438 176.405 176.094 -0.213 0.000 1.035 247 V CA -0.427 61.763 62.300 -0.182 0.000 0.873 247 V CB 2.212 33.899 31.823 -0.226 0.000 0.992 247 V HN 0.397 nan 8.190 nan 0.000 0.428 248 T N 6.016 120.459 114.554 -0.185 0.000 2.840 248 T HA 0.649 5.000 4.350 0.001 0.000 0.287 248 T C -0.514 174.083 174.700 -0.171 0.000 0.991 248 T CA -0.112 61.880 62.100 -0.180 0.000 0.964 248 T CB 0.881 69.693 68.868 -0.093 0.000 0.954 248 T HN 0.404 nan 8.240 nan 0.000 0.438 249 I N 3.835 124.255 120.570 -0.249 0.000 2.411 249 I HA 0.489 4.660 4.170 0.001 0.000 0.284 249 I C 0.088 176.204 176.117 -0.002 0.000 1.012 249 I CA -0.393 60.840 61.300 -0.112 0.000 1.119 249 I CB 1.282 39.112 38.000 -0.283 0.000 1.261 249 I HN 0.687 nan 8.210 nan 0.000 0.448 250 S N 2.776 118.511 115.700 0.059 0.000 2.588 250 S HA 0.499 4.969 4.470 0.001 0.000 0.275 250 S C -0.714 173.911 174.600 0.040 0.000 1.130 250 S CA -0.835 57.388 58.200 0.038 0.000 0.855 250 S CB 2.070 65.266 63.200 -0.006 0.000 1.116 250 S HN 0.616 nan 8.310 nan 0.000 0.472 251 D N 0.328 120.745 120.400 0.028 0.000 2.697 251 D HA -0.098 4.543 4.640 0.001 0.000 0.238 251 D C -0.658 175.658 176.300 0.027 0.000 1.152 251 D CA 1.330 55.338 54.000 0.013 0.000 0.666 251 D CB -1.538 39.254 40.800 -0.013 0.000 1.037 251 D HN 0.558 nan 8.370 nan 0.000 0.423 252 S N -0.991 114.750 115.700 0.069 0.000 2.595 252 S HA 0.785 5.256 4.470 0.001 0.000 0.281 252 S C 0.070 174.727 174.600 0.096 0.000 1.117 252 S CA -0.687 57.580 58.200 0.112 0.000 0.873 252 S CB 2.551 65.904 63.200 0.254 0.000 1.108 252 S HN 0.252 nan 8.310 nan 0.000 0.477 253 T N -1.257 113.355 114.554 0.097 0.000 2.885 253 T HA 0.800 5.151 4.350 0.001 0.000 0.285 253 T C -0.966 173.782 174.700 0.080 0.000 1.019 253 T CA -0.727 61.415 62.100 0.071 0.000 1.010 253 T CB 1.171 70.070 68.868 0.052 0.000 1.022 253 T HN 0.322 nan 8.240 nan 0.000 0.466 254 V N 2.420 122.366 119.914 0.053 0.000 2.482 254 V HA 0.611 4.732 4.120 0.001 0.000 0.295 254 V C -0.386 175.727 176.094 0.032 0.000 1.026 254 V CA -0.696 61.630 62.300 0.044 0.000 0.856 254 V CB 1.550 33.389 31.823 0.028 0.000 1.001 254 V HN 1.132 nan 8.190 nan 0.000 0.424 255 S N 3.581 119.301 115.700 0.033 0.000 2.536 255 S HA 0.551 5.021 4.470 0.001 0.000 0.298 255 S C 0.019 174.632 174.600 0.021 0.000 1.083 255 S CA -0.773 57.442 58.200 0.025 0.000 0.995 255 S CB 1.444 64.659 63.200 0.025 0.000 1.058 255 S HN 0.821 nan 8.310 nan 0.000 0.488 256 N N 1.152 119.862 118.700 0.016 0.000 2.688 256 N HA -0.146 4.594 4.740 0.001 0.000 0.258 256 N C -0.943 174.579 175.510 0.019 0.000 1.016 256 N CA 0.772 53.830 53.050 0.013 0.000 0.747 256 N CB -1.203 37.290 38.487 0.010 0.000 0.895 256 N HN 0.484 nan 8.380 nan 0.000 0.543 257 S N -1.260 114.455 115.700 0.024 0.000 2.599 257 S HA 0.741 5.212 4.470 0.001 0.000 0.287 257 S C 1.148 175.771 174.600 0.039 0.000 1.105 257 S CA -0.201 58.025 58.200 0.044 0.000 0.899 257 S CB 2.119 65.346 63.200 0.044 0.000 1.100 257 S HN 0.338 nan 8.310 nan 0.000 0.482 258 A N 1.673 124.530 122.820 0.062 0.000 1.930 258 A HA 0.094 4.414 4.320 0.001 0.000 0.217 258 A C 0.618 178.208 177.584 0.011 0.000 1.175 258 A CA 1.006 53.044 52.037 0.002 0.000 0.627 258 A CB -0.271 18.688 19.000 -0.069 0.000 0.815 258 A HN 0.738 nan 8.150 nan 0.000 0.443 259 N N -2.521 116.204 118.700 0.043 0.000 2.321 259 N HA 0.419 5.160 4.740 0.001 0.000 0.290 259 N C 0.615 176.142 175.510 0.028 0.000 1.212 259 N CA 0.148 53.237 53.050 0.065 0.000 0.767 259 N CB 1.712 40.248 38.487 0.082 0.000 1.494 259 N HN 0.083 nan 8.380 nan 0.000 0.479 260 G N 0.135 108.938 108.800 0.005 0.000 2.695 260 G HA2 0.159 4.119 3.960 0.001 0.000 0.219 260 G HA3 0.159 4.119 3.960 0.001 0.000 0.219 260 G C -0.087 174.746 174.900 -0.112 0.000 1.295 260 G CA 0.384 45.459 45.100 -0.041 0.000 0.882 260 G HN 0.338 nan 8.290 nan 0.000 0.570 261 V N 0.599 120.382 119.914 -0.218 0.000 2.459 261 V HA 0.692 4.812 4.120 0.001 0.000 0.295 261 V C -0.242 175.659 176.094 -0.321 0.000 1.029 261 V CA -0.703 61.312 62.300 -0.474 0.000 0.874 261 V CB 1.581 32.878 31.823 -0.877 0.000 0.985 261 V HN 0.490 nan 8.190 nan 0.000 0.438 262 R N 4.425 124.781 120.500 -0.239 0.000 2.604 262 R HA 0.714 5.054 4.340 0.001 0.000 0.281 262 R C -1.952 174.306 176.300 -0.071 0.000 1.020 262 R CA -0.559 55.465 56.100 -0.127 0.000 0.899 262 R CB 1.756 32.012 30.300 -0.073 0.000 1.205 262 R HN 0.709 nan 8.270 nan 0.000 0.450 263 I N 3.908 124.435 120.570 -0.070 0.000 2.447 263 I HA 0.401 4.572 4.170 0.001 0.000 0.287 263 I C -0.726 175.343 176.117 -0.081 0.000 1.023 263 I CA -0.830 60.442 61.300 -0.047 0.000 1.083 263 I CB 2.126 40.119 38.000 -0.012 0.000 1.245 263 I HN 0.451 nan 8.210 nan 0.000 0.434 264 K N 4.329 124.647 120.400 -0.137 0.000 2.397 264 K HA 0.648 4.968 4.320 0.001 0.000 0.253 264 K C -0.648 175.865 176.600 -0.145 0.000 0.932 264 K CA -0.710 55.442 56.287 -0.226 0.000 0.795 264 K CB 2.714 34.861 32.500 -0.588 0.000 1.159 264 K HN 0.705 nan 8.250 nan 0.000 0.424 265 T N -0.628 113.900 114.554 -0.043 0.000 2.907 265 T HA 0.573 4.924 4.350 0.001 0.000 0.292 265 T C -0.081 174.680 174.700 0.102 0.000 1.043 265 T CA -0.852 61.257 62.100 0.014 0.000 1.003 265 T CB 0.835 69.721 68.868 0.030 0.000 1.084 265 T HN 0.366 nan 8.240 nan 0.000 0.483 266 I N 2.637 123.265 120.570 0.097 0.000 2.395 266 I HA 0.237 4.408 4.170 0.001 0.000 0.289 266 I C 0.029 176.243 176.117 0.162 0.000 1.023 266 I CA -1.050 60.346 61.300 0.161 0.000 1.350 266 I CB 0.721 38.790 38.000 0.114 0.000 1.409 266 I HN 0.709 nan 8.210 nan 0.000 0.507 267 Y N 7.536 127.883 120.300 0.078 0.000 2.805 267 Y HA -0.155 4.395 4.550 0.001 0.000 0.331 267 Y C 1.070 176.989 175.900 0.032 0.000 1.241 267 Y CA 0.109 58.237 58.100 0.047 0.000 1.546 267 Y CB 0.039 38.522 38.460 0.038 0.000 1.248 267 Y HN 0.589 nan 8.280 nan 0.000 0.559 268 K N 1.968 122.056 120.400 -0.520 0.000 3.209 268 K HA -0.239 4.082 4.320 0.001 0.000 0.289 268 K C -0.360 176.127 176.600 -0.188 0.000 1.191 268 K CA 1.057 57.065 56.287 -0.465 0.000 0.851 268 K CB -0.730 31.381 32.500 -0.649 0.000 1.242 268 K HN 0.667 nan 8.250 nan 0.000 0.480 269 E N 0.357 120.498 120.200 -0.097 0.000 2.254 269 E HA 0.380 4.731 4.350 0.001 0.000 0.258 269 E C 0.507 177.081 176.600 -0.042 0.000 1.033 269 E CA -0.158 56.214 56.400 -0.047 0.000 0.893 269 E CB 1.523 31.217 29.700 -0.010 0.000 1.204 269 E HN 0.268 nan 8.360 nan 0.000 0.425 270 T N -2.715 111.821 114.554 -0.030 0.000 2.924 270 T HA 0.853 5.203 4.350 0.001 0.000 0.291 270 T C 0.297 174.986 174.700 -0.018 0.000 1.045 270 T CA -0.247 61.837 62.100 -0.025 0.000 1.015 270 T CB 2.095 70.947 68.868 -0.027 0.000 1.103 270 T HN 0.628 nan 8.240 nan 0.000 0.496 271 G N 0.187 108.979 108.800 -0.015 0.000 2.351 271 G HA2 0.424 4.385 3.960 0.001 0.000 0.279 271 G HA3 0.424 4.385 3.960 0.001 0.000 0.279 271 G C -2.315 172.580 174.900 -0.008 0.000 1.297 271 G CA -0.443 44.649 45.100 -0.014 0.000 0.886 271 G HN 0.927 nan 8.290 nan 0.000 0.493 272 D N -1.207 119.188 120.400 -0.008 0.000 2.937 272 D HA 0.541 5.181 4.640 0.001 0.000 0.215 272 D C -1.188 175.109 176.300 -0.004 0.000 1.274 272 D CA -0.122 53.878 54.000 -0.000 0.000 0.869 272 D CB 2.158 42.956 40.800 -0.003 0.000 1.675 272 D HN 0.594 nan 8.370 nan 0.000 0.538 273 V N 2.808 122.728 119.914 0.010 0.000 2.443 273 V HA 0.737 4.857 4.120 0.001 0.000 0.293 273 V C -0.275 175.827 176.094 0.014 0.000 1.021 273 V CA -0.487 61.813 62.300 0.000 0.000 0.848 273 V CB 1.275 33.101 31.823 0.006 0.000 0.998 273 V HN 0.666 nan 8.190 nan 0.000 0.424 274 S N 2.311 118.006 115.700 -0.008 0.000 2.579 274 S HA 0.723 5.194 4.470 0.001 0.000 0.272 274 S C -0.587 173.995 174.600 -0.030 0.000 1.141 274 S CA -0.782 57.419 58.200 0.001 0.000 0.843 274 S CB 2.007 65.217 63.200 0.017 0.000 1.122 274 S HN 0.812 nan 8.310 nan 0.000 0.468 275 E N 0.255 120.440 120.200 -0.025 0.000 2.257 275 E HA -0.120 4.231 4.350 0.001 0.000 0.217 275 E C -0.874 175.674 176.600 -0.087 0.000 1.248 275 E CA 0.434 56.809 56.400 -0.043 0.000 0.691 275 E CB -1.338 28.342 29.700 -0.034 0.000 1.185 275 E HN 0.541 nan 8.360 nan 0.000 0.377 276 I N 0.936 121.437 120.570 -0.115 0.000 2.404 276 I HA 0.348 4.518 4.170 0.001 0.000 0.293 276 I C 0.662 176.659 176.117 -0.199 0.000 0.992 276 I CA -0.272 60.915 61.300 -0.189 0.000 1.149 276 I CB 1.740 39.621 38.000 -0.198 0.000 1.315 276 I HN -0.066 nan 8.210 nan 0.000 0.446 277 T N 6.207 120.606 114.554 -0.258 0.000 2.841 277 T HA 0.523 4.874 4.350 0.001 0.000 0.285 277 T C -0.933 173.591 174.700 -0.293 0.000 0.991 277 T CA -0.365 61.614 62.100 -0.203 0.000 0.966 277 T CB 0.890 69.678 68.868 -0.133 0.000 0.962 277 T HN 0.199 nan 8.240 nan 0.000 0.438 278 Y N 1.662 121.867 120.300 -0.158 0.000 2.328 278 Y HA 0.572 5.122 4.550 0.001 0.000 0.337 278 Y C 0.538 176.355 175.900 -0.138 0.000 0.966 278 Y CA -0.527 57.483 58.100 -0.149 0.000 1.136 278 Y CB 1.816 40.157 38.460 -0.198 0.000 1.170 278 Y HN 0.557 nan 8.280 nan 0.000 0.470 279 S N 3.576 119.299 115.700 0.038 0.000 2.614 279 S HA 0.360 4.831 4.470 0.001 0.000 0.288 279 S C -0.784 173.821 174.600 0.009 0.000 1.137 279 S CA -0.702 57.497 58.200 -0.002 0.000 0.992 279 S CB 0.561 63.749 63.200 -0.020 0.000 1.026 279 S HN 0.791 nan 8.310 nan 0.000 0.486 280 N N 3.086 121.782 118.700 -0.007 0.000 2.671 280 N HA -0.139 4.602 4.740 0.001 0.000 0.261 280 N C -1.109 174.410 175.510 0.015 0.000 1.053 280 N CA 0.658 53.707 53.050 -0.002 0.000 0.732 280 N CB -1.319 37.168 38.487 -0.001 0.000 0.887 280 N HN 0.556 nan 8.380 nan 0.000 0.546 281 I N 1.562 122.138 120.570 0.010 0.000 2.362 281 I HA 0.258 4.429 4.170 0.001 0.000 0.289 281 I C 0.527 176.645 176.117 0.001 0.000 0.994 281 I CA -0.257 61.056 61.300 0.021 0.000 1.158 281 I CB 1.479 39.489 38.000 0.017 0.000 1.315 281 I HN 0.281 nan 8.210 nan 0.000 0.451 282 Q N 6.328 126.137 119.800 0.014 0.000 2.316 282 Q HA 0.689 5.029 4.340 0.001 0.000 0.264 282 Q C -1.055 174.953 176.000 0.012 0.000 0.987 282 Q CA -0.683 55.126 55.803 0.009 0.000 0.852 282 Q CB 3.041 31.786 28.738 0.012 0.000 1.287 282 Q HN 0.507 nan 8.270 nan 0.000 0.448 283 L N 1.478 122.704 121.223 0.005 0.000 2.342 283 L HA 0.697 5.038 4.340 0.001 0.000 0.271 283 L C -0.225 176.650 176.870 0.008 0.000 1.008 283 L CA -0.738 54.106 54.840 0.006 0.000 0.818 283 L CB 1.945 44.002 42.059 -0.002 0.000 1.296 283 L HN 0.703 nan 8.230 nan 0.000 0.427 284 S N -0.618 115.089 115.700 0.011 0.000 2.533 284 S HA 0.635 5.105 4.470 0.001 0.000 0.271 284 S C 0.184 174.789 174.600 0.008 0.000 1.143 284 S CA -0.106 58.099 58.200 0.009 0.000 0.891 284 S CB 1.784 64.991 63.200 0.011 0.000 1.105 284 S HN 1.172 nan 8.310 nan 0.000 0.468 285 G N 1.630 110.433 108.800 0.005 0.000 2.283 285 G HA2 -0.199 3.762 3.960 0.001 0.000 0.280 285 G HA3 -0.199 3.762 3.960 0.001 0.000 0.280 285 G C 0.021 174.921 174.900 -0.001 0.000 1.029 285 G CA 0.211 45.312 45.100 0.002 0.000 0.840 285 G HN 0.862 nan 8.290 nan 0.000 0.505 286 I N 1.285 121.854 120.570 -0.002 0.000 2.556 286 I HA 0.175 4.346 4.170 0.001 0.000 0.284 286 I C 1.853 177.955 176.117 -0.025 0.000 1.114 286 I CA 1.091 62.388 61.300 -0.005 0.000 1.418 286 I CB 0.693 38.694 38.000 0.002 0.000 1.394 286 I HN 0.345 nan 8.210 nan 0.000 0.552 287 T N -0.054 114.477 114.554 -0.037 0.000 3.015 287 T HA 0.075 4.425 4.350 0.001 0.000 0.250 287 T C 0.917 175.539 174.700 -0.130 0.000 1.057 287 T CA 0.141 62.201 62.100 -0.066 0.000 1.066 287 T CB 0.587 69.426 68.868 -0.049 0.000 0.959 287 T HN 0.496 nan 8.240 nan 0.000 0.488 288 D N -0.034 120.264 120.400 -0.170 0.000 3.099 288 D HA 0.240 4.880 4.640 0.001 0.000 0.291 288 D C -0.869 175.085 176.300 -0.576 0.000 1.209 288 D CA 0.169 53.933 54.000 -0.393 0.000 1.032 288 D CB 0.707 41.302 40.800 -0.341 0.000 1.324 288 D HN 0.428 nan 8.370 nan 0.000 0.440 289 Y N -0.845 119.450 120.300 -0.008 0.000 2.433 289 Y HA 0.472 5.023 4.550 0.001 0.000 0.337 289 Y C 1.080 176.983 175.900 0.005 0.000 1.026 289 Y CA -0.700 57.410 58.100 0.016 0.000 1.037 289 Y CB 2.526 41.017 38.460 0.052 0.000 1.245 289 Y HN -0.041 nan 8.280 nan 0.000 0.443 290 G N 2.848 111.749 108.800 0.168 0.000 2.434 290 G HA2 -0.005 3.956 3.960 0.001 0.000 0.214 290 G HA3 -0.005 3.956 3.960 0.001 0.000 0.214 290 G C 0.273 175.200 174.900 0.045 0.000 1.202 290 G CA 0.606 45.755 45.100 0.081 0.000 0.788 290 G HN 0.495 nan 8.290 nan 0.000 0.539 291 I N 0.078 120.697 120.570 0.081 0.000 2.436 291 I HA 0.515 4.685 4.170 0.001 0.000 0.289 291 I C -1.337 174.818 176.117 0.063 0.000 1.010 291 I CA -0.771 60.537 61.300 0.014 0.000 1.098 291 I CB 2.600 40.622 38.000 0.037 0.000 1.266 291 I HN -0.038 nan 8.210 nan 0.000 0.434 292 V N 8.260 128.154 119.914 -0.033 0.000 2.668 292 V HA 0.592 4.712 4.120 0.001 0.000 0.304 292 V C -1.246 174.791 176.094 -0.095 0.000 1.071 292 V CA -0.201 62.029 62.300 -0.116 0.000 0.894 292 V CB 2.099 33.697 31.823 -0.374 0.000 1.008 292 V HN 0.587 nan 8.190 nan 0.000 0.425 293 I N 7.152 127.677 120.570 -0.074 0.000 2.468 293 I HA 0.579 4.750 4.170 0.001 0.000 0.284 293 I C -0.613 175.465 176.117 -0.065 0.000 1.038 293 I CA -0.268 61.026 61.300 -0.009 0.000 1.083 293 I CB 1.835 39.920 38.000 0.141 0.000 1.223 293 I HN 0.838 nan 8.210 nan 0.000 0.443 294 E N 5.419 125.596 120.200 -0.038 0.000 2.366 294 E HA 0.424 4.775 4.350 0.001 0.000 0.278 294 E C -1.334 175.308 176.600 0.069 0.000 0.923 294 E CA -0.863 55.516 56.400 -0.035 0.000 0.761 294 E CB 1.948 31.621 29.700 -0.045 0.000 1.231 294 E HN 0.487 nan 8.360 nan 0.000 0.443 295 Q N 1.167 121.011 119.800 0.074 0.000 2.165 295 Q HA 0.090 4.431 4.340 0.001 0.000 0.245 295 Q C -0.611 175.490 176.000 0.169 0.000 0.841 295 Q CA -0.018 55.850 55.803 0.109 0.000 1.078 295 Q CB 0.446 29.226 28.738 0.070 0.000 1.169 295 Q HN 0.563 nan 8.270 nan 0.000 0.475 296 D N -1.280 119.244 120.400 0.207 0.000 2.571 296 D HA -0.011 4.630 4.640 0.001 0.000 0.239 296 D C -0.468 175.907 176.300 0.125 0.000 1.267 296 D CA -0.441 53.653 54.000 0.158 0.000 0.823 296 D CB -0.188 40.644 40.800 0.053 0.000 1.056 296 D HN -0.008 nan 8.370 nan 0.000 0.494 297 Y N 1.522 121.869 120.300 0.077 0.000 2.359 297 Y HA 0.369 4.920 4.550 0.001 0.000 0.330 297 Y C 0.619 176.571 175.900 0.087 0.000 1.143 297 Y CA 0.146 58.285 58.100 0.064 0.000 1.318 297 Y CB 0.909 39.401 38.460 0.053 0.000 1.234 297 Y HN -0.020 nan 8.280 nan 0.000 0.522 298 E N 2.439 122.690 120.200 0.084 0.000 2.304 298 E HA 0.176 4.527 4.350 0.001 0.000 0.277 298 E C -0.610 176.029 176.600 0.065 0.000 0.898 298 E CA -0.554 55.905 56.400 0.097 0.000 0.764 298 E CB 0.947 30.671 29.700 0.041 0.000 1.216 298 E HN 0.656 nan 8.360 nan 0.000 0.419 299 N N 2.867 121.623 118.700 0.093 0.000 2.741 299 N HA -0.228 4.512 4.740 0.001 0.000 0.250 299 N C 0.367 175.936 175.510 0.097 0.000 1.115 299 N CA 2.099 55.195 53.050 0.076 0.000 0.724 299 N CB -1.180 37.333 38.487 0.043 0.000 1.090 299 N HN 0.933 nan 8.380 nan 0.000 0.558 300 G N -2.271 106.631 108.800 0.170 0.000 2.148 300 G HA2 -0.180 3.781 3.960 0.001 0.000 0.254 300 G HA3 -0.180 3.781 3.960 0.001 0.000 0.254 300 G C -0.073 174.964 174.900 0.229 0.000 0.981 300 G CA 1.083 46.330 45.100 0.244 0.000 0.670 300 G HN 1.482 nan 8.290 nan 0.000 0.528 301 S N -0.227 115.472 115.700 -0.002 0.000 2.546 301 S HA 0.792 5.263 4.470 0.001 0.000 0.274 301 S C -3.049 171.147 174.600 -0.673 0.000 1.121 301 S CA -0.980 57.059 58.200 -0.268 0.000 0.887 301 S CB 2.430 65.564 63.200 -0.110 0.000 1.094 301 S HN 0.042 nan 8.310 nan 0.000 0.474 302 P HA 0.246 nan 4.420 nan 0.000 0.275 302 P C 0.423 177.547 177.300 -0.294 0.000 1.227 302 P CA -0.190 62.530 63.100 -0.633 0.000 0.781 302 P CB 0.698 32.187 31.700 -0.352 0.000 0.906 303 T N -2.111 112.311 114.554 -0.220 0.000 2.985 303 T HA 0.330 4.680 4.350 0.001 0.000 0.254 303 T C 1.299 175.930 174.700 -0.116 0.000 1.021 303 T CA 0.527 62.524 62.100 -0.172 0.000 0.957 303 T CB -0.490 68.237 68.868 -0.234 0.000 1.047 303 T HN 0.586 nan 8.240 nan 0.000 0.511 304 G N 0.962 109.724 108.800 -0.063 0.000 2.195 304 G HA2 -0.204 3.757 3.960 0.001 0.000 0.246 304 G HA3 -0.204 3.757 3.960 0.001 0.000 0.246 304 G C 0.162 175.056 174.900 -0.010 0.000 0.984 304 G CA 0.175 45.275 45.100 -0.001 0.000 0.633 304 G HN 0.757 nan 8.290 nan 0.000 0.525 305 T N 3.543 118.062 114.554 -0.057 0.000 2.833 305 T HA 0.607 4.958 4.350 0.001 0.000 0.297 305 T C -2.498 172.230 174.700 0.047 0.000 1.015 305 T CA -0.840 61.240 62.100 -0.033 0.000 0.963 305 T CB 3.122 71.925 68.868 -0.109 0.000 0.955 305 T HN 0.186 nan 8.240 nan 0.000 0.449 306 P HA 0.519 nan 4.420 nan 0.000 0.279 306 P C -0.616 176.802 177.300 0.197 0.000 1.276 306 P CA -0.569 62.615 63.100 0.139 0.000 0.801 306 P CB 0.969 32.703 31.700 0.057 0.000 1.127 307 S N -1.968 113.824 115.700 0.154 0.000 2.740 307 S HA 0.602 5.072 4.470 0.001 0.000 0.300 307 S C 0.410 175.018 174.600 0.013 0.000 1.147 307 S CA -0.162 58.071 58.200 0.054 0.000 0.871 307 S CB 0.788 63.937 63.200 -0.085 0.000 1.173 307 S HN 0.543 nan 8.310 nan 0.000 0.510 308 T N -3.625 110.917 114.554 -0.020 0.000 3.084 308 T HA 0.355 4.705 4.350 0.001 0.000 0.270 308 T C 1.404 176.091 174.700 -0.022 0.000 1.008 308 T CA 0.339 62.429 62.100 -0.017 0.000 0.900 308 T CB -0.257 68.599 68.868 -0.021 0.000 1.084 308 T HN 0.870 nan 8.240 nan 0.000 0.538 309 G N 1.488 110.268 108.800 -0.034 0.000 2.744 309 G HA2 0.257 4.217 3.960 0.001 0.000 0.211 309 G HA3 0.257 4.217 3.960 0.001 0.000 0.211 309 G C 0.489 175.379 174.900 -0.017 0.000 1.143 309 G CA 0.078 45.158 45.100 -0.033 0.000 0.788 309 G HN 0.630 nan 8.290 nan 0.000 0.534 310 I N 1.774 122.342 120.570 -0.003 0.000 2.595 310 I HA 0.239 4.410 4.170 0.001 0.000 0.275 310 I C -2.424 173.709 176.117 0.026 0.000 1.092 310 I CA -2.118 59.188 61.300 0.009 0.000 1.145 310 I CB 2.196 40.203 38.000 0.012 0.000 1.276 310 I HN -0.179 nan 8.210 nan 0.000 0.497 311 P HA 0.086 nan 4.420 nan 0.000 0.265 311 P C -0.471 176.879 177.300 0.083 0.000 1.187 311 P CA 0.458 63.586 63.100 0.047 0.000 0.766 311 P CB 0.604 32.326 31.700 0.036 0.000 0.820 312 I N 2.505 123.164 120.570 0.149 0.000 2.466 312 I HA 0.273 4.443 4.170 0.001 0.000 0.279 312 I C 0.305 176.659 176.117 0.396 0.000 1.033 312 I CA -0.294 61.147 61.300 0.235 0.000 1.123 312 I CB 1.446 39.637 38.000 0.318 0.000 1.237 312 I HN 0.311 nan 8.210 nan 0.000 0.460 313 T N 0.132 114.849 114.554 0.270 0.000 2.906 313 T HA 0.414 4.765 4.350 0.001 0.000 0.295 313 T C -0.108 174.713 174.700 0.201 0.000 1.075 313 T CA -0.629 61.643 62.100 0.286 0.000 1.005 313 T CB 2.023 70.982 68.868 0.151 0.000 1.136 313 T HN 0.552 nan 8.240 nan 0.000 0.498 314 D N 0.270 120.813 120.400 0.238 0.000 2.697 314 D HA -0.145 4.496 4.640 0.001 0.000 0.238 314 D C -0.600 175.717 176.300 0.028 0.000 1.152 314 D CA 0.440 54.521 54.000 0.135 0.000 0.666 314 D CB -1.322 39.522 40.800 0.073 0.000 1.037 314 D HN 0.585 nan 8.370 nan 0.000 0.423 315 V N 1.409 121.287 119.914 -0.061 0.000 2.407 315 V HA 0.465 4.585 4.120 0.001 0.000 0.278 315 V C 0.951 176.971 176.094 -0.124 0.000 1.037 315 V CA -0.202 61.921 62.300 -0.294 0.000 0.900 315 V CB 1.928 33.199 31.823 -0.921 0.000 0.983 315 V HN 0.282 nan 8.190 nan 0.000 0.459 316 T N 4.810 119.310 114.554 -0.090 0.000 2.770 316 T HA 0.520 4.871 4.350 0.001 0.000 0.283 316 T C -0.357 174.275 174.700 -0.112 0.000 0.988 316 T CA -0.314 61.764 62.100 -0.037 0.000 0.957 316 T CB 1.448 70.301 68.868 -0.025 0.000 0.930 316 T HN 0.336 nan 8.240 nan 0.000 0.443 317 V N 3.741 123.536 119.914 -0.199 0.000 2.384 317 V HA 0.498 4.618 4.120 0.001 0.000 0.287 317 V C -0.479 175.451 176.094 -0.274 0.000 1.020 317 V CA -0.671 61.396 62.300 -0.389 0.000 0.850 317 V CB 1.576 32.776 31.823 -1.037 0.000 0.987 317 V HN 0.863 nan 8.190 nan 0.000 0.436 318 D N 4.148 124.445 120.400 -0.173 0.000 2.330 318 D HA 0.521 5.161 4.640 0.001 0.000 0.249 318 D C 0.094 176.341 176.300 -0.088 0.000 1.306 318 D CA 0.460 54.397 54.000 -0.106 0.000 0.956 318 D CB 0.843 41.610 40.800 -0.055 0.000 1.261 318 D HN 0.968 nan 8.370 nan 0.000 0.544 319 G N 1.707 110.445 108.800 -0.104 0.000 2.858 319 G HA2 -0.003 3.958 3.960 0.001 0.000 0.266 319 G HA3 -0.003 3.958 3.960 0.001 0.000 0.266 319 G C -0.827 174.024 174.900 -0.082 0.000 1.023 319 G CA -0.231 44.826 45.100 -0.072 0.000 1.172 319 G HN 0.611 nan 8.290 nan 0.000 0.523 320 V N 2.938 122.791 119.914 -0.102 0.000 2.447 320 V HA 0.872 4.993 4.120 0.001 0.000 0.292 320 V C 0.498 176.558 176.094 -0.057 0.000 1.021 320 V CA 0.151 62.394 62.300 -0.095 0.000 0.850 320 V CB 1.671 33.397 31.823 -0.162 0.000 1.005 320 V HN 1.413 nan 8.190 nan 0.000 0.426 321 T N 0.975 115.509 114.554 -0.032 0.000 2.887 321 T HA 1.007 5.358 4.350 0.001 0.000 0.292 321 T C 0.034 174.730 174.700 -0.006 0.000 1.087 321 T CA -0.146 61.945 62.100 -0.014 0.000 1.009 321 T CB 2.317 71.181 68.868 -0.008 0.000 1.203 321 T HN 1.758 nan 8.240 nan 0.000 0.518 322 G N 0.544 109.345 108.800 0.001 0.000 2.298 322 G HA2 0.392 4.352 3.960 0.001 0.000 0.309 322 G HA3 0.392 4.352 3.960 0.001 0.000 0.309 322 G C -0.526 174.379 174.900 0.007 0.000 1.279 322 G CA -0.152 44.951 45.100 0.004 0.000 1.042 322 G HN 1.801 nan 8.290 nan 0.000 0.480 323 T N -1.717 112.841 114.554 0.007 0.000 2.887 323 T HA 0.770 5.121 4.350 0.001 0.000 0.288 323 T C -0.774 173.929 174.700 0.005 0.000 1.021 323 T CA -0.700 61.404 62.100 0.007 0.000 1.000 323 T CB 2.165 71.036 68.868 0.006 0.000 1.034 323 T HN 0.820 nan 8.240 nan 0.000 0.467 324 L N 1.967 123.192 121.223 0.003 0.000 2.342 324 L HA 0.548 4.889 4.340 0.001 0.000 0.271 324 L C 0.372 177.236 176.870 -0.009 0.000 1.008 324 L CA -0.641 54.197 54.840 -0.003 0.000 0.818 324 L CB 1.841 43.900 42.059 0.000 0.000 1.296 324 L HN 0.692 nan 8.230 nan 0.000 0.427 325 E N 0.843 121.032 120.200 -0.017 0.000 2.369 325 E HA 0.051 4.402 4.350 0.001 0.000 0.255 325 E C -0.004 176.579 176.600 -0.028 0.000 1.172 325 E CA -0.284 56.103 56.400 -0.022 0.000 0.932 325 E CB 0.605 30.290 29.700 -0.026 0.000 1.040 325 E HN 0.461 nan 8.360 nan 0.000 0.454 326 D N 0.501 120.885 120.400 -0.027 0.000 2.218 326 D HA -0.111 4.530 4.640 0.001 0.000 0.204 326 D C 0.341 176.617 176.300 -0.039 0.000 0.976 326 D CA 1.105 55.088 54.000 -0.027 0.000 0.853 326 D CB 0.117 40.903 40.800 -0.023 0.000 0.939 326 D HN 0.302 nan 8.370 nan 0.000 0.481 327 D N -0.159 120.209 120.400 -0.054 0.000 2.363 327 D HA 0.199 4.840 4.640 0.001 0.000 0.214 327 D C 0.478 176.711 176.300 -0.112 0.000 1.093 327 D CA -0.027 53.928 54.000 -0.075 0.000 0.837 327 D CB 0.461 41.215 40.800 -0.075 0.000 0.948 327 D HN 0.028 nan 8.370 nan 0.000 0.507 328 A N 0.343 123.103 122.820 -0.100 0.000 2.286 328 A HA 0.525 4.846 4.320 0.001 0.000 0.286 328 A C 0.365 177.887 177.584 -0.104 0.000 1.097 328 A CA -0.097 51.858 52.037 -0.136 0.000 0.821 328 A CB 0.716 19.663 19.000 -0.089 0.000 1.076 328 A HN -0.043 nan 8.150 nan 0.000 0.490 329 T N 1.713 116.193 114.554 -0.123 0.000 2.771 329 T HA 0.267 4.617 4.350 0.001 0.000 0.281 329 T C 1.123 175.893 174.700 0.118 0.000 0.982 329 T CA -0.381 61.726 62.100 0.012 0.000 0.978 329 T CB 1.419 70.313 68.868 0.042 0.000 0.930 329 T HN 0.714 nan 8.240 nan 0.000 0.447 330 Q N 1.451 121.319 119.800 0.112 0.000 2.002 330 Q HA -0.025 4.315 4.340 0.001 0.000 0.204 330 Q C 0.238 176.348 176.000 0.183 0.000 0.988 330 Q CA 1.125 57.003 55.803 0.124 0.000 0.843 330 Q CB 0.134 28.934 28.738 0.104 0.000 0.908 330 Q HN 0.372 nan 8.270 nan 0.000 0.420 331 V N -0.187 119.860 119.914 0.221 0.000 2.686 331 V HA 0.277 4.398 4.120 0.001 0.000 0.306 331 V C -1.670 174.606 176.094 0.302 0.000 1.065 331 V CA -0.878 61.575 62.300 0.255 0.000 0.894 331 V CB 1.807 33.786 31.823 0.260 0.000 1.004 331 V HN 0.187 nan 8.190 nan 0.000 0.424 332 Y N 5.893 126.247 120.300 0.091 0.000 2.329 332 Y HA 0.742 5.293 4.550 0.001 0.000 0.328 332 Y C -1.015 174.876 175.900 -0.015 0.000 0.992 332 Y CA -1.423 56.685 58.100 0.012 0.000 1.151 332 Y CB 1.526 39.919 38.460 -0.111 0.000 1.150 332 Y HN 0.573 nan 8.280 nan 0.000 0.450 333 I N 7.723 128.128 120.570 -0.275 0.000 2.410 333 I HA 0.343 4.513 4.170 0.001 0.000 0.286 333 I C -1.362 174.497 176.117 -0.429 0.000 1.009 333 I CA -0.798 60.341 61.300 -0.268 0.000 1.111 333 I CB 1.890 39.845 38.000 -0.076 0.000 1.262 333 I HN 0.517 nan 8.210 nan 0.000 0.443 334 L N 7.699 128.639 121.223 -0.471 0.000 2.433 334 L HA 0.505 4.846 4.340 0.001 0.000 0.256 334 L C -0.875 175.897 176.870 -0.163 0.000 1.063 334 L CA 0.144 54.767 54.840 -0.363 0.000 0.922 334 L CB 0.546 42.321 42.059 -0.474 0.000 1.238 334 L HN 0.610 nan 8.230 nan 0.000 0.466 335 c N 1.906 120.428 118.600 -0.130 0.000 2.397 335 c HA 0.850 5.421 4.570 0.001 0.000 0.343 335 c C 1.227 175.278 174.090 -0.065 0.000 1.188 335 c CA -0.529 55.751 56.329 -0.083 0.000 1.992 335 c CB 1.126 43.553 42.510 -0.138 0.000 2.358 335 c HN 0.886 nan 8.230 nan 0.000 0.518 336 G N 0.671 109.451 108.800 -0.034 0.000 2.616 336 G HA2 0.302 4.263 3.960 0.001 0.000 0.268 336 G HA3 0.302 4.263 3.960 0.001 0.000 0.268 336 G C -0.677 174.193 174.900 -0.051 0.000 1.213 336 G CA -0.174 44.912 45.100 -0.023 0.000 0.926 336 G HN 0.770 nan 8.290 nan 0.000 0.523 337 D N 0.030 120.405 120.400 -0.041 0.000 2.368 337 D HA 0.368 5.009 4.640 0.001 0.000 0.268 337 D C 1.373 177.639 176.300 -0.056 0.000 1.298 337 D CA 1.696 55.665 54.000 -0.052 0.000 0.938 337 D CB 0.334 41.112 40.800 -0.037 0.000 1.101 337 D HN 0.842 nan 8.370 nan 0.000 0.509 338 G N 2.136 110.889 108.800 -0.078 0.000 2.176 338 G HA2 -0.334 3.627 3.960 0.001 0.000 0.253 338 G HA3 -0.334 3.627 3.960 0.001 0.000 0.253 338 G C 1.021 175.878 174.900 -0.071 0.000 0.979 338 G CA 0.558 45.612 45.100 -0.077 0.000 0.641 338 G HN 0.582 nan 8.290 nan 0.000 0.530 339 S N -1.783 113.877 115.700 -0.067 0.000 2.556 339 S HA 0.484 4.955 4.470 0.001 0.000 0.216 339 S C 0.586 175.170 174.600 -0.027 0.000 0.970 339 S CA 0.368 58.547 58.200 -0.035 0.000 0.912 339 S CB 0.300 63.491 63.200 -0.015 0.000 0.790 339 S HN 0.798 nan 8.310 nan 0.000 0.504 340 c N 2.750 121.282 118.600 -0.114 0.000 2.364 340 c HA 0.892 5.463 4.570 0.001 0.000 0.324 340 c C 0.124 173.996 174.090 -0.363 0.000 1.234 340 c CA -0.654 55.568 56.329 -0.178 0.000 1.417 340 c CB 0.548 42.828 42.510 -0.384 0.000 2.101 340 c HN 0.664 nan 8.230 nan 0.000 0.466 341 S N 1.049 116.623 115.700 -0.210 0.000 2.596 341 S HA 0.713 5.184 4.470 0.001 0.000 0.270 341 S C -0.976 173.648 174.600 0.041 0.000 1.155 341 S CA -0.360 57.726 58.200 -0.190 0.000 0.827 341 S CB 1.364 64.510 63.200 -0.090 0.000 1.130 341 S HN 0.882 nan 8.310 nan 0.000 0.467 342 D N -0.089 120.339 120.400 0.046 0.000 2.746 342 D HA -0.117 4.523 4.640 0.001 0.000 0.241 342 D C -1.530 175.022 176.300 0.422 0.000 1.140 342 D CA 0.962 55.066 54.000 0.172 0.000 0.707 342 D CB -1.227 39.659 40.800 0.144 0.000 1.034 342 D HN 0.487 nan 8.370 nan 0.000 0.423 343 W N 0.481 121.818 121.300 0.061 0.000 2.551 343 W HA 0.591 5.251 4.660 0.001 0.000 0.330 343 W C 0.396 177.012 176.519 0.162 0.000 1.063 343 W CA -0.742 56.684 57.345 0.136 0.000 1.222 343 W CB 1.298 30.862 29.460 0.174 0.000 1.349 343 W HN -0.104 nan 8.180 nan 0.000 0.536 344 T N 3.237 118.032 114.554 0.401 0.000 2.815 344 T HA 0.278 4.628 4.350 0.001 0.000 0.289 344 T C -1.328 173.583 174.700 0.351 0.000 1.000 344 T CA -0.442 61.837 62.100 0.297 0.000 0.958 344 T CB 0.956 69.926 68.868 0.169 0.000 0.944 344 T HN 0.345 nan 8.240 nan 0.000 0.442 345 W N 4.210 125.569 121.300 0.098 0.000 2.647 345 W HA 0.522 5.183 4.660 0.002 0.000 0.328 345 W C -0.407 176.148 176.519 0.059 0.000 1.018 345 W CA -0.645 56.750 57.345 0.084 0.000 1.245 345 W CB 1.638 31.171 29.460 0.121 0.000 1.356 345 W HN 0.780 nan 8.180 nan 0.000 0.443 346 S N 1.676 117.399 115.700 0.039 0.000 2.625 346 S HA 0.679 5.149 4.470 0.001 0.000 0.271 346 S C 0.254 174.828 174.600 -0.043 0.000 1.161 346 S CA 0.004 58.234 58.200 0.051 0.000 0.820 346 S CB 1.476 64.710 63.200 0.056 0.000 1.137 346 S HN 1.305 nan 8.310 nan 0.000 0.470 347 G N -0.308 108.491 108.800 -0.001 0.000 2.179 347 G HA2 -0.200 3.760 3.960 0.001 0.000 0.257 347 G HA3 -0.200 3.760 3.960 0.001 0.000 0.257 347 G C -0.037 174.837 174.900 -0.043 0.000 1.010 347 G CA 0.143 45.231 45.100 -0.021 0.000 0.736 347 G HN 1.375 nan 8.290 nan 0.000 0.513 348 V N 0.999 120.894 119.914 -0.032 0.000 2.389 348 V HA 0.484 4.605 4.120 0.001 0.000 0.264 348 V C -0.007 176.105 176.094 0.030 0.000 1.049 348 V CA 0.092 62.375 62.300 -0.028 0.000 0.932 348 V CB 1.568 33.395 31.823 0.007 0.000 1.011 348 V HN 0.347 nan 8.190 nan 0.000 0.475 349 D N 5.469 125.877 120.400 0.013 0.000 2.363 349 D HA 0.388 5.029 4.640 0.001 0.000 0.258 349 D C -0.761 175.551 176.300 0.020 0.000 1.259 349 D CA -0.209 53.806 54.000 0.025 0.000 0.921 349 D CB 0.739 41.549 40.800 0.018 0.000 1.201 349 D HN 0.359 nan 8.370 nan 0.000 0.524 350 L N 1.598 122.840 121.223 0.031 0.000 2.325 350 L HA 0.603 4.943 4.340 0.001 0.000 0.278 350 L C 0.489 177.375 176.870 0.027 0.000 1.023 350 L CA -0.835 54.022 54.840 0.027 0.000 0.811 350 L CB 1.890 43.971 42.059 0.037 0.000 1.249 350 L HN 0.315 nan 8.230 nan 0.000 0.431 351 S N 0.883 116.595 115.700 0.020 0.000 2.536 351 S HA 0.950 5.421 4.470 0.001 0.000 0.298 351 S C -0.129 174.479 174.600 0.014 0.000 1.083 351 S CA -0.086 58.125 58.200 0.018 0.000 0.995 351 S CB 2.030 65.239 63.200 0.014 0.000 1.058 351 S HN 1.217 nan 8.310 nan 0.000 0.488 352 G N 0.592 109.399 108.800 0.012 0.000 2.712 352 G HA2 0.424 4.385 3.960 0.001 0.000 0.683 352 G HA3 0.424 4.385 3.960 0.001 0.000 0.683 352 G C 0.533 175.437 174.900 0.006 0.000 1.320 352 G CA -0.061 45.042 45.100 0.007 0.000 0.847 352 G HN 2.672 nan 8.290 nan 0.000 0.553 353 G N -0.293 108.506 108.800 -0.003 0.000 2.598 353 G HA2 0.334 4.295 3.960 0.001 0.000 0.244 353 G HA3 0.334 4.295 3.960 0.001 0.000 0.244 353 G C 0.082 174.981 174.900 -0.002 0.000 1.302 353 G CA 1.261 46.355 45.100 -0.009 0.000 0.903 353 G HN 2.329 nan 8.290 nan 0.000 0.575 354 K N -1.463 118.936 120.400 -0.002 0.000 2.444 354 K HA 0.751 5.072 4.320 0.001 0.000 0.252 354 K C -0.805 175.813 176.600 0.029 0.000 0.993 354 K CA -0.712 55.579 56.287 0.007 0.000 0.847 354 K CB 1.830 34.325 32.500 -0.009 0.000 1.340 354 K HN 0.534 nan 8.250 nan 0.000 0.446 355 T N 1.071 115.646 114.554 0.035 0.000 2.845 355 T HA 0.115 4.466 4.350 0.001 0.000 0.288 355 T C -0.131 174.603 174.700 0.057 0.000 0.980 355 T CA -0.327 61.806 62.100 0.055 0.000 1.071 355 T CB 1.238 70.134 68.868 0.046 0.000 0.941 355 T HN 0.585 nan 8.240 nan 0.000 0.487 356 S N 1.718 117.472 115.700 0.090 0.000 2.565 356 S HA 0.150 4.620 4.470 0.001 0.000 0.276 356 S C 0.603 175.251 174.600 0.080 0.000 1.326 356 S CA -0.751 57.508 58.200 0.098 0.000 1.045 356 S CB 0.278 63.597 63.200 0.197 0.000 0.918 356 S HN 0.803 nan 8.310 nan 0.000 0.505 357 D N 2.907 123.343 120.400 0.060 0.000 2.501 357 D HA 0.184 4.825 4.640 0.001 0.000 0.226 357 D C 0.344 176.683 176.300 0.064 0.000 1.198 357 D CA -0.168 53.862 54.000 0.050 0.000 0.830 357 D CB 0.045 40.861 40.800 0.027 0.000 1.014 357 D HN 0.492 nan 8.370 nan 0.000 0.496 358 K N -0.206 120.263 120.400 0.116 0.000 2.413 358 K HA 0.230 4.551 4.320 0.001 0.000 0.204 358 K C -0.093 176.645 176.600 0.230 0.000 1.041 358 K CA -0.304 56.080 56.287 0.162 0.000 1.082 358 K CB 0.705 33.307 32.500 0.169 0.000 0.871 358 K HN 0.099 nan 8.250 nan 0.000 0.535 359 c N 2.137 120.840 118.600 0.171 0.000 2.689 359 c HA 0.183 4.754 4.570 0.001 0.000 0.409 359 c C 0.441 174.523 174.090 -0.012 0.000 1.293 359 c CA -0.282 56.083 56.329 0.060 0.000 2.136 359 c CB -0.142 42.379 42.510 0.018 0.000 2.719 359 c HN 0.374 nan 8.230 nan 0.000 0.644 360 E N 1.326 121.479 120.200 -0.079 0.000 2.292 360 E HA 0.236 4.586 4.350 0.001 0.000 0.272 360 E C -0.712 175.811 176.600 -0.128 0.000 0.881 360 E CA -0.581 55.770 56.400 -0.082 0.000 0.754 360 E CB 1.168 30.833 29.700 -0.059 0.000 1.201 360 E HN 0.669 nan 8.360 nan 0.000 0.425 361 N N 0.441 119.066 118.700 -0.125 0.000 2.725 361 N HA -0.153 4.587 4.740 0.001 0.000 0.251 361 N C -0.530 174.830 175.510 -0.250 0.000 1.031 361 N CA 0.505 53.458 53.050 -0.163 0.000 0.720 361 N CB -1.302 37.103 38.487 -0.137 0.000 0.930 361 N HN 0.183 nan 8.380 nan 0.000 0.543 362 V N 1.025 120.785 119.914 -0.256 0.000 2.485 362 V HA 0.083 4.203 4.120 0.001 0.000 0.287 362 V C -1.332 174.500 176.094 -0.437 0.000 1.022 362 V CA -0.791 61.292 62.300 -0.362 0.000 1.067 362 V CB 0.242 31.893 31.823 -0.286 0.000 0.967 362 V HN 0.127 nan 8.190 nan 0.000 0.479 363 P HA 0.054 nan 4.420 nan 0.000 0.265 363 P C 0.016 177.085 177.300 -0.385 0.000 1.187 363 P CA 0.191 62.914 63.100 -0.629 0.000 0.766 363 P CB 0.260 31.278 31.700 -1.137 0.000 0.820 364 S N 1.964 117.513 115.700 -0.251 0.000 2.563 364 S HA 0.282 4.753 4.470 0.001 0.000 0.294 364 S C 1.616 176.151 174.600 -0.110 0.000 1.279 364 S CA 1.046 59.153 58.200 -0.154 0.000 1.069 364 S CB -0.356 62.784 63.200 -0.101 0.000 0.828 364 S HN 0.921 nan 8.310 nan 0.000 0.497 365 G N 1.500 110.243 108.800 -0.094 0.000 2.241 365 G HA2 -0.159 3.801 3.960 0.001 0.000 0.244 365 G HA3 -0.159 3.801 3.960 0.001 0.000 0.244 365 G C 0.192 175.033 174.900 -0.099 0.000 0.998 365 G CA 0.051 45.133 45.100 -0.029 0.000 0.621 365 G HN 1.186 nan 8.290 nan 0.000 0.519 366 A N -0.601 122.030 122.820 -0.315 0.000 2.252 366 A HA 0.938 5.259 4.320 0.001 0.000 0.305 366 A C 0.411 177.611 177.584 -0.639 0.000 1.097 366 A CA 0.725 52.231 52.037 -0.884 0.000 0.849 366 A CB 1.565 19.863 19.000 -1.170 0.000 1.142 366 A HN 1.793 nan 8.150 nan 0.000 0.499 367 S N -1.624 113.644 115.700 -0.720 0.000 2.537 367 S HA 0.494 4.964 4.470 0.001 0.000 0.271 367 S C -0.602 173.931 174.600 -0.111 0.000 1.148 367 S CA -0.576 57.455 58.200 -0.282 0.000 0.868 367 S CB 0.473 63.605 63.200 -0.113 0.000 1.115 367 S HN 1.007 nan 8.310 nan 0.000 0.461 368 c N 0.000 118.576 118.600 -0.040 0.000 2.653 368 c HA 0.000 4.571 4.570 0.001 0.000 0.325 368 c CA 0.000 56.365 56.329 0.061 0.000 1.963 368 c CB 0.000 42.550 42.510 0.067 0.000 2.134 368 c HN 0.000 nan 8.230 nan 0.000 0.568