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 3imx_1_A DATA FIRST_RESID 11 DATA SEQUENCE GPGSMVEQIL AEFQLQEEDL KKVMRRMQKE MDRGLRLETH EEASVKMLPT DATA SEQUENCE YVRSTPEGSE VGDFLSLDLG GTNFRVMLVK VGEXXXXQWS VKTKHQMYSI DATA SEQUENCE PEDAMTGTAE MLFDYISECI SDFLDKHQMK HKKLPLGFTF SFPVRHEDID DATA SEQUENCE KGILLNWTKG FKASGAEGNN VVGLLRDAIK RRGDFEMDVV AMVNDTVATM DATA SEQUENCE ISCYYEDHQC EVGMIVGTGC NACYMEEMQN VELVEGDEGR MCVNTEWGAF DATA SEQUENCE GDSGELDEFL LEYDRLVDES SANPGQQLYE KLIGGKYMGE LVRLVLLRLV DATA SEQUENCE DENLLFHGEA SEQLRTRGAF ETRFVSQVES DTGDRKQIYN ILSTLGLRPS DATA SEQUENCE TTDCDIVRRA CESVSTRAAH MCSAGLAGVI NRMRESRSED VMRITVGVDG DATA SEQUENCE SVYKLHPSFK ERFHASVRRL TPSCEITFIE SEEGSGRGAA LVSAVACKKA DATA SEQUENCE C 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.847 3.960 -0.188 0.000 0.244 11 G C 0.000 174.904 174.900 0.007 0.000 0.946 11 G CA 0.000 45.100 45.100 0.001 0.000 0.502 12 P HA 0.384 nan 4.420 nan 0.000 0.272 12 P C 0.878 178.184 177.300 0.009 0.000 1.230 12 P CA 1.324 64.428 63.100 0.008 0.000 0.788 12 P CB 0.753 32.456 31.700 0.005 0.000 0.949 13 G N 0.978 109.784 108.800 0.011 0.000 2.258 13 G HA2 -0.242 3.605 3.960 -0.188 0.000 0.274 13 G HA3 -0.242 3.605 3.960 -0.188 0.000 0.274 13 G C 0.304 175.212 174.900 0.013 0.000 1.021 13 G CA 0.263 45.370 45.100 0.011 0.000 0.798 13 G HN 0.648 nan 8.290 nan 0.000 0.507 14 S N 0.295 116.005 115.700 0.016 0.000 2.552 14 S HA 0.564 4.921 4.470 -0.188 0.000 0.289 14 S C 0.629 175.240 174.600 0.018 0.000 1.304 14 S CA 0.277 58.489 58.200 0.021 0.000 1.063 14 S CB 0.645 63.861 63.200 0.027 0.000 0.848 14 S HN 0.373 nan 8.310 nan 0.000 0.499 15 M N 2.455 122.067 119.600 0.020 0.000 2.518 15 M HA 0.310 4.678 4.480 -0.188 0.000 0.300 15 M C 1.077 177.387 176.300 0.017 0.000 1.175 15 M CA -0.700 54.608 55.300 0.014 0.000 0.890 15 M CB 1.363 33.970 32.600 0.012 0.000 1.710 15 M HN 0.369 nan 8.290 nan 0.000 0.453 16 V N 1.629 121.545 119.914 0.004 0.000 2.252 16 V HA -0.275 3.732 4.120 -0.188 0.000 0.249 16 V C 1.988 178.091 176.094 0.015 0.000 1.056 16 V CA 2.246 64.545 62.300 -0.001 0.000 1.022 16 V CB -0.562 31.247 31.823 -0.023 0.000 0.641 16 V HN 0.855 nan 8.190 nan 0.000 0.445 17 E N -0.498 119.710 120.200 0.013 0.000 2.118 17 E HA -0.305 3.932 4.350 -0.188 0.000 0.195 17 E C 2.312 178.937 176.600 0.042 0.000 0.992 17 E CA 1.475 57.889 56.400 0.024 0.000 0.804 17 E CB -0.187 29.524 29.700 0.017 0.000 0.741 17 E HN 0.682 nan 8.360 nan 0.000 0.458 18 Q N 0.750 120.573 119.800 0.039 0.000 2.124 18 Q HA -0.180 4.047 4.340 -0.188 0.000 0.202 18 Q C 2.113 178.155 176.000 0.069 0.000 0.977 18 Q CA 1.148 56.978 55.803 0.046 0.000 0.850 18 Q CB 0.014 28.773 28.738 0.034 0.000 0.901 18 Q HN 0.337 nan 8.270 nan 0.000 0.429 19 I N 0.490 121.108 120.570 0.080 0.000 2.286 19 I HA -0.252 3.805 4.170 -0.188 0.000 0.245 19 I C 2.120 178.351 176.117 0.189 0.000 1.104 19 I CA 0.730 62.106 61.300 0.126 0.000 1.397 19 I CB -0.067 38.004 38.000 0.119 0.000 1.072 19 I HN 0.248 nan 8.210 nan 0.000 0.417 20 L N 0.397 121.709 121.223 0.149 0.000 2.217 20 L HA -0.056 4.171 4.340 -0.188 0.000 0.211 20 L C 2.690 179.705 176.870 0.242 0.000 1.107 20 L CA 0.733 55.688 54.840 0.191 0.000 0.783 20 L CB -0.624 41.467 42.059 0.054 0.000 0.919 20 L HN 0.197 nan 8.230 nan 0.000 0.442 21 A N 0.025 122.938 122.820 0.154 0.000 2.121 21 A HA -0.164 4.043 4.320 -0.188 0.000 0.218 21 A C 2.047 179.714 177.584 0.137 0.000 1.154 21 A CA 1.000 53.115 52.037 0.130 0.000 0.679 21 A CB -0.318 18.731 19.000 0.081 0.000 0.795 21 A HN 0.429 nan 8.150 nan 0.000 0.458 22 E N -1.047 119.231 120.200 0.129 0.000 2.267 22 E HA -0.181 4.056 4.350 -0.188 0.000 0.197 22 E C 0.984 177.560 176.600 -0.039 0.000 0.998 22 E CA 1.042 57.454 56.400 0.019 0.000 0.830 22 E CB -0.269 29.399 29.700 -0.053 0.000 0.751 22 E HN 0.780 nan 8.360 nan 0.000 0.491 23 F N 1.362 121.358 119.950 0.078 0.000 2.661 23 F HA 0.007 4.420 4.527 -0.190 0.000 0.298 23 F C 1.150 176.987 175.800 0.061 0.000 1.137 23 F CA 0.329 58.368 58.000 0.065 0.000 1.454 23 F CB -0.004 39.008 39.000 0.021 0.000 1.103 23 F HN -0.139 nan 8.300 nan 0.000 0.577 24 Q N 0.991 120.915 119.800 0.208 0.000 2.432 24 Q HA 0.325 4.552 4.340 -0.188 0.000 0.264 24 Q C -0.705 175.383 176.000 0.147 0.000 1.035 24 Q CA 0.413 56.312 55.803 0.162 0.000 0.908 24 Q CB 0.748 29.559 28.738 0.122 0.000 1.280 24 Q HN 0.223 nan 8.270 nan 0.000 0.455 25 L N 2.489 123.801 121.223 0.148 0.000 2.441 25 L HA 0.274 4.501 4.340 -0.188 0.000 0.270 25 L C -0.640 176.274 176.870 0.073 0.000 0.973 25 L CA -0.898 54.007 54.840 0.107 0.000 0.842 25 L CB 1.793 43.900 42.059 0.080 0.000 1.239 25 L HN 0.498 nan 8.230 nan 0.000 0.406 26 Q N 1.745 121.580 119.800 0.058 0.000 2.317 26 Q HA 0.130 4.358 4.340 -0.188 0.000 0.229 26 Q C 0.793 176.788 176.000 -0.008 0.000 0.984 26 Q CA -0.203 55.617 55.803 0.028 0.000 0.911 26 Q CB 1.345 30.109 28.738 0.042 0.000 1.217 26 Q HN 0.562 nan 8.270 nan 0.000 0.501 27 E N 1.021 121.203 120.200 -0.030 0.000 2.118 27 E HA -0.250 3.987 4.350 -0.188 0.000 0.195 27 E C 1.323 177.909 176.600 -0.022 0.000 0.992 27 E CA 1.260 57.630 56.400 -0.050 0.000 0.804 27 E CB 0.310 29.981 29.700 -0.048 0.000 0.741 27 E HN 0.632 nan 8.360 nan 0.000 0.458 28 E N 0.065 120.269 120.200 0.006 0.000 2.150 28 E HA -0.179 4.059 4.350 -0.188 0.000 0.193 28 E C 1.470 178.103 176.600 0.055 0.000 0.985 28 E CA 1.120 57.537 56.400 0.027 0.000 0.814 28 E CB 0.186 29.909 29.700 0.037 0.000 0.752 28 E HN 0.237 nan 8.360 nan 0.000 0.466 29 D N 0.490 120.929 120.400 0.065 0.000 2.097 29 D HA -0.140 4.387 4.640 -0.188 0.000 0.197 29 D C 2.133 178.394 176.300 -0.064 0.000 0.984 29 D CA 0.770 54.826 54.000 0.094 0.000 0.826 29 D CB -0.152 40.713 40.800 0.107 0.000 0.973 29 D HN 0.278 nan 8.370 nan 0.000 0.460 30 L N 0.707 121.881 121.223 -0.081 0.000 2.083 30 L HA -0.139 4.088 4.340 -0.188 0.000 0.209 30 L C 2.432 179.261 176.870 -0.069 0.000 1.083 30 L CA 1.065 55.841 54.840 -0.106 0.000 0.752 30 L CB -0.344 41.651 42.059 -0.107 0.000 0.899 30 L HN -0.034 nan 8.230 nan 0.000 0.433 31 K N 0.209 120.587 120.400 -0.037 0.000 2.148 31 K HA -0.204 4.004 4.320 -0.188 0.000 0.204 31 K C 2.186 178.789 176.600 0.004 0.000 1.050 31 K CA 1.137 57.411 56.287 -0.020 0.000 0.942 31 K CB -0.013 32.480 32.500 -0.011 0.000 0.724 31 K HN 0.191 nan 8.250 nan 0.000 0.446 32 K N 0.876 121.302 120.400 0.043 0.000 2.057 32 K HA -0.095 4.112 4.320 -0.188 0.000 0.206 32 K C 1.960 178.626 176.600 0.109 0.000 1.050 32 K CA 0.878 57.228 56.287 0.105 0.000 0.935 32 K CB 0.114 32.738 32.500 0.208 0.000 0.715 32 K HN -0.099 nan 8.250 nan 0.000 0.439 33 V N 1.796 121.733 119.914 0.038 0.000 2.343 33 V HA -0.300 3.707 4.120 -0.188 0.000 0.247 33 V C 2.412 178.494 176.094 -0.021 0.000 1.051 33 V CA 2.045 64.367 62.300 0.037 0.000 1.036 33 V CB -0.383 31.369 31.823 -0.118 0.000 0.654 33 V HN 0.482 nan 8.190 nan 0.000 0.451 34 M N -0.206 119.352 119.600 -0.070 0.000 2.086 34 M HA -0.224 4.143 4.480 -0.188 0.000 0.261 34 M C 2.367 178.605 176.300 -0.104 0.000 1.067 34 M CA 2.091 57.322 55.300 -0.115 0.000 1.116 34 M CB -0.210 32.342 32.600 -0.079 0.000 1.348 34 M HN 0.206 nan 8.290 nan 0.000 0.407 35 R N 0.466 120.941 120.500 -0.042 0.000 2.092 35 R HA -0.059 4.168 4.340 -0.188 0.000 0.231 35 R C 1.940 178.232 176.300 -0.014 0.000 1.119 35 R CA 1.803 57.888 56.100 -0.025 0.000 0.970 35 R CB -0.514 29.789 30.300 0.004 0.000 0.864 35 R HN 0.423 nan 8.270 nan 0.000 0.440 36 R N -0.853 119.668 120.500 0.034 0.000 2.092 36 R HA -0.072 4.155 4.340 -0.188 0.000 0.231 36 R C 2.114 178.402 176.300 -0.020 0.000 1.119 36 R CA 1.583 57.750 56.100 0.112 0.000 0.970 36 R CB -0.360 30.124 30.300 0.306 0.000 0.864 36 R HN 0.200 nan 8.270 nan 0.000 0.440 37 M N 1.148 120.543 119.600 -0.341 0.000 2.132 37 M HA -0.162 4.205 4.480 -0.188 0.000 0.263 37 M C 1.811 177.917 176.300 -0.322 0.000 1.065 37 M CA 1.783 56.635 55.300 -0.747 0.000 1.122 37 M CB 0.004 32.080 32.600 -0.875 0.000 1.365 37 M HN 0.021 nan 8.290 nan 0.000 0.411 38 Q N -0.420 119.266 119.800 -0.190 0.000 2.124 38 Q HA -0.225 4.002 4.340 -0.188 0.000 0.202 38 Q C 2.139 178.107 176.000 -0.053 0.000 0.977 38 Q CA 1.765 57.504 55.803 -0.107 0.000 0.850 38 Q CB -0.353 28.337 28.738 -0.081 0.000 0.901 38 Q HN 0.614 nan 8.270 nan 0.000 0.429 39 K N 0.724 121.106 120.400 -0.030 0.000 2.057 39 K HA -0.168 4.039 4.320 -0.188 0.000 0.206 39 K C 1.758 178.375 176.600 0.029 0.000 1.050 39 K CA 1.135 57.429 56.287 0.011 0.000 0.935 39 K CB 0.232 32.753 32.500 0.035 0.000 0.715 39 K HN 0.009 nan 8.250 nan 0.000 0.439 40 E N 0.527 120.746 120.200 0.031 0.000 2.150 40 E HA -0.142 4.095 4.350 -0.188 0.000 0.193 40 E C 1.971 178.604 176.600 0.054 0.000 0.985 40 E CA 1.098 57.540 56.400 0.070 0.000 0.814 40 E CB -0.115 29.671 29.700 0.144 0.000 0.752 40 E HN 0.473 nan 8.360 nan 0.000 0.466 41 M N 0.346 119.955 119.600 0.014 0.000 2.132 41 M HA -0.170 4.198 4.480 -0.188 0.000 0.263 41 M C 2.019 178.361 176.300 0.069 0.000 1.065 41 M CA 1.657 56.987 55.300 0.050 0.000 1.122 41 M CB -0.315 32.294 32.600 0.016 0.000 1.365 41 M HN -0.030 nan 8.290 nan 0.000 0.411 42 D N 0.314 120.741 120.400 0.044 0.000 2.117 42 D HA -0.146 4.381 4.640 -0.188 0.000 0.197 42 D C 1.959 178.296 176.300 0.061 0.000 0.987 42 D CA 1.376 55.405 54.000 0.048 0.000 0.829 42 D CB 0.121 40.939 40.800 0.030 0.000 0.961 42 D HN 0.203 nan 8.370 nan 0.000 0.460 43 R N -0.499 120.040 120.500 0.064 0.000 2.120 43 R HA 0.019 4.247 4.340 -0.188 0.000 0.234 43 R C 2.440 178.804 176.300 0.107 0.000 1.123 43 R CA 1.167 57.311 56.100 0.074 0.000 0.975 43 R CB -0.346 29.994 30.300 0.066 0.000 0.866 43 R HN 0.247 nan 8.270 nan 0.000 0.446 44 G N 0.477 109.353 108.800 0.127 0.000 2.511 44 G HA2 -0.125 3.722 3.960 -0.188 0.000 0.217 44 G HA3 -0.125 3.722 3.960 -0.188 0.000 0.217 44 G C 1.353 176.394 174.900 0.236 0.000 1.133 44 G CA 0.088 45.314 45.100 0.210 0.000 0.792 44 G HN 0.121 nan 8.290 nan 0.000 0.539 45 L N -0.357 120.941 121.223 0.125 0.000 2.270 45 L HA 0.205 4.432 4.340 -0.188 0.000 0.210 45 L C 1.346 178.234 176.870 0.031 0.000 1.104 45 L CA 0.155 55.030 54.840 0.058 0.000 0.804 45 L CB 0.027 42.119 42.059 0.054 0.000 0.937 45 L HN 0.034 nan 8.230 nan 0.000 0.450 46 R N 0.330 120.866 120.500 0.060 0.000 2.308 46 R HA 0.155 4.383 4.340 -0.188 0.000 0.305 46 R C 1.014 177.352 176.300 0.063 0.000 1.053 46 R CA -0.349 55.778 56.100 0.045 0.000 0.957 46 R CB 1.181 31.508 30.300 0.045 0.000 1.022 46 R HN 0.119 nan 8.270 nan 0.000 0.461 47 L N 2.376 123.619 121.223 0.033 0.000 2.081 47 L HA -0.284 3.944 4.340 -0.188 0.000 0.212 47 L C 1.596 178.508 176.870 0.071 0.000 1.080 47 L CA 1.635 56.501 54.840 0.044 0.000 0.754 47 L CB -0.175 41.895 42.059 0.018 0.000 0.893 47 L HN 0.656 nan 8.230 nan 0.000 0.433 48 E N -0.796 119.437 120.200 0.055 0.000 2.077 48 E HA -0.168 4.070 4.350 -0.188 0.000 0.193 48 E C 1.865 178.500 176.600 0.059 0.000 0.989 48 E CA 1.810 58.240 56.400 0.050 0.000 0.800 48 E CB -0.262 29.460 29.700 0.036 0.000 0.746 48 E HN 0.524 nan 8.360 nan 0.000 0.452 49 T N -2.769 111.829 114.554 0.072 0.000 3.054 49 T HA 0.129 4.366 4.350 -0.188 0.000 0.255 49 T C 1.360 176.110 174.700 0.082 0.000 1.035 49 T CA 0.060 62.200 62.100 0.065 0.000 0.941 49 T CB -0.097 68.805 68.868 0.055 0.000 1.026 49 T HN 0.130 nan 8.240 nan 0.000 0.533 50 H N 2.461 121.548 119.070 0.028 0.000 2.289 50 H HA -0.072 4.368 4.556 -0.193 0.000 0.296 50 H C 1.977 177.326 175.328 0.035 0.000 1.091 50 H CA 2.315 58.382 56.048 0.033 0.000 1.274 50 H CB -0.232 29.547 29.762 0.028 0.000 1.364 50 H HN 0.508 nan 8.280 nan 0.000 0.490 51 E N -0.307 119.840 120.200 -0.089 0.000 2.160 51 E HA -0.209 4.028 4.350 -0.188 0.000 0.195 51 E C 1.822 178.351 176.600 -0.118 0.000 0.991 51 E CA 1.385 57.708 56.400 -0.129 0.000 0.810 51 E CB -0.052 29.644 29.700 -0.006 0.000 0.742 51 E HN 0.866 nan 8.360 nan 0.000 0.466 52 E N 0.664 120.823 120.200 -0.068 0.000 2.481 52 E HA 0.229 4.466 4.350 -0.188 0.000 0.198 52 E C 0.251 176.832 176.600 -0.032 0.000 1.027 52 E CA -0.109 56.268 56.400 -0.037 0.000 0.900 52 E CB 0.403 30.099 29.700 -0.008 0.000 0.993 52 E HN 0.048 nan 8.360 nan 0.000 0.482 53 A N 1.678 124.465 122.820 -0.055 0.000 2.477 53 A HA 0.166 4.373 4.320 -0.188 0.000 0.246 53 A C 1.342 178.927 177.584 0.003 0.000 1.078 53 A CA 0.261 52.292 52.037 -0.009 0.000 0.770 53 A CB 0.638 19.641 19.000 0.005 0.000 1.011 53 A HN 0.374 nan 8.150 nan 0.000 0.494 54 S N 1.590 117.323 115.700 0.055 0.000 2.377 54 S HA -0.007 4.350 4.470 -0.188 0.000 0.223 54 S C 0.549 175.221 174.600 0.120 0.000 1.030 54 S CA 0.971 59.219 58.200 0.079 0.000 0.970 54 S CB -0.435 62.824 63.200 0.097 0.000 0.830 54 S HN 0.530 nan 8.310 nan 0.000 0.473 55 V N 3.314 123.317 119.914 0.148 0.000 2.353 55 V HA 0.281 4.288 4.120 -0.188 0.000 0.264 55 V C 0.823 177.000 176.094 0.138 0.000 1.049 55 V CA -0.500 61.902 62.300 0.169 0.000 0.896 55 V CB 0.979 32.903 31.823 0.169 0.000 1.025 55 V HN 0.390 nan 8.190 nan 0.000 0.475 56 K N 3.938 124.420 120.400 0.136 0.000 2.288 56 K HA 0.089 4.296 4.320 -0.188 0.000 0.201 56 K C 0.596 177.347 176.600 0.252 0.000 1.048 56 K CA 0.359 56.741 56.287 0.159 0.000 0.956 56 K CB -0.056 32.527 32.500 0.138 0.000 0.746 56 K HN 0.605 nan 8.250 nan 0.000 0.461 57 M N 0.904 120.610 119.600 0.177 0.000 2.259 57 M HA -0.201 4.166 4.480 -0.188 0.000 0.188 57 M C -0.850 175.497 176.300 0.078 0.000 0.665 57 M CA 0.868 56.245 55.300 0.128 0.000 0.464 57 M CB -2.325 30.357 32.600 0.136 0.000 1.063 57 M HN 0.144 nan 8.290 nan 0.000 0.912 58 L N 1.736 123.008 121.223 0.082 0.000 2.418 58 L HA 0.201 4.428 4.340 -0.188 0.000 0.274 58 L C -1.558 175.288 176.870 -0.040 0.000 1.135 58 L CA -1.555 53.321 54.840 0.060 0.000 0.870 58 L CB 0.137 42.271 42.059 0.124 0.000 1.154 58 L HN 0.091 nan 8.230 nan 0.000 0.462 59 P HA 0.021 nan 4.420 nan 0.000 0.268 59 P C 0.586 177.761 177.300 -0.208 0.000 1.205 59 P CA -0.026 62.928 63.100 -0.242 0.000 0.771 59 P CB 0.835 32.319 31.700 -0.361 0.000 0.858 60 T N -0.950 113.420 114.554 -0.307 0.000 3.022 60 T HA 0.065 4.303 4.350 -0.188 0.000 0.250 60 T C 0.411 174.956 174.700 -0.258 0.000 1.060 60 T CA 0.013 61.884 62.100 -0.382 0.000 1.013 60 T CB -0.740 67.927 68.868 -0.335 0.000 0.982 60 T HN 0.298 nan 8.240 nan 0.000 0.508 61 Y N -0.233 119.929 120.300 -0.231 0.000 4.798 61 Y HA -0.189 4.246 4.550 -0.191 0.000 0.237 61 Y C 0.121 175.923 175.900 -0.163 0.000 1.017 61 Y CA 0.105 58.108 58.100 -0.163 0.000 2.010 61 Y CB -2.307 36.082 38.460 -0.117 0.000 1.582 61 Y HN 0.234 nan 8.280 nan 0.000 0.621 62 V N 2.332 122.167 119.914 -0.132 0.000 2.348 62 V HA 0.353 4.361 4.120 -0.188 0.000 0.270 62 V C 0.547 176.542 176.094 -0.165 0.000 1.037 62 V CA -0.410 61.807 62.300 -0.138 0.000 0.872 62 V CB 1.293 33.012 31.823 -0.174 0.000 1.002 62 V HN 0.106 nan 8.190 nan 0.000 0.464 63 R N 2.615 123.035 120.500 -0.134 0.000 2.758 63 R HA 0.420 4.647 4.340 -0.188 0.000 0.265 63 R C 1.151 177.357 176.300 -0.157 0.000 1.016 63 R CA -0.185 55.831 56.100 -0.139 0.000 1.040 63 R CB 1.270 31.514 30.300 -0.093 0.000 1.152 63 R HN 0.706 nan 8.270 nan 0.000 0.503 64 S N -1.260 114.350 115.700 -0.151 0.000 2.527 64 S HA -0.111 4.246 4.470 -0.188 0.000 0.222 64 S C 1.611 176.154 174.600 -0.094 0.000 0.985 64 S CA 0.874 58.980 58.200 -0.156 0.000 0.921 64 S CB -0.244 62.876 63.200 -0.134 0.000 0.772 64 S HN 0.791 nan 8.310 nan 0.000 0.529 65 T N -0.417 114.095 114.554 -0.070 0.000 2.951 65 T HA 0.150 4.388 4.350 -0.188 0.000 0.268 65 T C -1.727 172.962 174.700 -0.019 0.000 1.073 65 T CA -0.242 61.836 62.100 -0.037 0.000 1.134 65 T CB -1.946 66.904 68.868 -0.029 0.000 0.884 65 T HN 0.296 nan 8.240 nan 0.000 0.479 66 P HA 0.137 nan 4.420 nan 0.000 0.262 66 P C 0.279 177.591 177.300 0.020 0.000 1.182 66 P CA 0.312 63.410 63.100 -0.004 0.000 0.761 66 P CB 0.419 32.109 31.700 -0.018 0.000 0.795 67 E N 0.987 121.211 120.200 0.038 0.000 2.476 67 E HA 0.189 4.426 4.350 -0.188 0.000 0.199 67 E C 0.892 177.549 176.600 0.095 0.000 1.021 67 E CA -0.107 56.331 56.400 0.063 0.000 0.907 67 E CB 0.551 30.284 29.700 0.054 0.000 0.974 67 E HN 0.565 nan 8.360 nan 0.000 0.489 68 G N -0.036 108.818 108.800 0.091 0.000 2.672 68 G HA2 0.493 4.341 3.960 -0.188 0.000 0.292 68 G HA3 0.493 4.341 3.960 -0.188 0.000 0.292 68 G C -1.019 173.946 174.900 0.108 0.000 1.375 68 G CA -0.273 44.908 45.100 0.134 0.000 0.890 68 G HN -0.011 nan 8.290 nan 0.000 0.476 69 S N -1.256 114.538 115.700 0.156 0.000 2.998 69 S HA 0.838 5.196 4.470 -0.188 0.000 0.321 69 S C -1.416 173.256 174.600 0.119 0.000 1.171 69 S CA -0.018 58.188 58.200 0.009 0.000 0.882 69 S CB 1.597 64.641 63.200 -0.259 0.000 1.301 69 S HN 1.078 nan 8.310 nan 0.000 0.629 70 E N -0.330 119.859 120.200 -0.017 0.000 2.416 70 E HA 0.525 4.763 4.350 -0.188 0.000 0.280 70 E C -0.943 175.794 176.600 0.228 0.000 1.055 70 E CA -1.089 55.447 56.400 0.226 0.000 0.825 70 E CB 0.982 30.818 29.700 0.228 0.000 1.312 70 E HN 0.586 nan 8.360 nan 0.000 0.452 71 V N -1.123 119.033 119.914 0.404 0.000 3.336 71 V HA 0.932 4.940 4.120 -0.188 0.000 0.304 71 V C 0.645 176.963 176.094 0.373 0.000 1.073 71 V CA 0.744 63.281 62.300 0.396 0.000 1.074 71 V CB 0.396 32.426 31.823 0.344 0.000 1.161 71 V HN 1.312 nan 8.190 nan 0.000 0.460 72 G N 0.551 109.533 108.800 0.304 0.000 2.346 72 G HA2 0.187 4.034 3.960 -0.188 0.000 0.294 72 G HA3 0.187 4.034 3.960 -0.188 0.000 0.294 72 G C -1.932 172.877 174.900 -0.150 0.000 1.294 72 G CA -0.384 44.710 45.100 -0.010 0.000 0.962 72 G HN 0.884 nan 8.290 nan 0.000 0.508 73 D N 0.124 120.236 120.400 -0.481 0.000 2.217 73 D HA 0.690 5.217 4.640 -0.188 0.000 0.243 73 D C -0.874 175.035 176.300 -0.651 0.000 1.054 73 D CA 0.324 54.138 54.000 -0.311 0.000 0.838 73 D CB 1.371 42.084 40.800 -0.145 0.000 1.162 73 D HN 0.219 nan 8.370 nan 0.000 0.472 74 F N 1.183 121.146 119.950 0.020 0.000 2.547 74 F HA 0.343 4.759 4.527 -0.185 0.000 0.316 74 F C -0.108 175.700 175.800 0.012 0.000 1.121 74 F CA -1.033 56.974 58.000 0.011 0.000 0.911 74 F CB 1.479 40.473 39.000 -0.011 0.000 1.179 74 F HN 0.063 nan 8.300 nan 0.000 0.443 75 L N 2.004 123.321 121.223 0.157 0.000 2.375 75 L HA 0.771 4.998 4.340 -0.188 0.000 0.268 75 L C -0.140 176.780 176.870 0.083 0.000 1.058 75 L CA 0.015 54.905 54.840 0.082 0.000 0.803 75 L CB 1.739 43.827 42.059 0.048 0.000 1.212 75 L HN 0.642 nan 8.230 nan 0.000 0.451 76 S N 3.664 119.382 115.700 0.031 0.000 2.548 76 S HA 0.594 4.951 4.470 -0.188 0.000 0.276 76 S C -1.631 173.001 174.600 0.054 0.000 1.129 76 S CA -0.735 57.501 58.200 0.060 0.000 0.931 76 S CB 0.876 64.106 63.200 0.051 0.000 1.068 76 S HN 0.682 nan 8.310 nan 0.000 0.480 77 L N 3.546 124.853 121.223 0.141 0.000 2.362 77 L HA 0.656 4.883 4.340 -0.188 0.000 0.275 77 L C -1.643 175.427 176.870 0.333 0.000 0.998 77 L CA -0.429 54.530 54.840 0.198 0.000 0.820 77 L CB 1.692 43.824 42.059 0.122 0.000 1.270 77 L HN 0.841 nan 8.230 nan 0.000 0.415 78 D N 4.924 125.512 120.400 0.315 0.000 2.469 78 D HA 0.332 4.860 4.640 -0.188 0.000 0.251 78 D C -1.531 174.972 176.300 0.339 0.000 1.173 78 D CA -0.264 53.905 54.000 0.282 0.000 0.882 78 D CB 1.543 42.440 40.800 0.161 0.000 1.129 78 D HN 0.311 nan 8.370 nan 0.000 0.549 79 L N 4.169 125.624 121.223 0.386 0.000 2.298 79 L HA 0.867 5.094 4.340 -0.188 0.000 0.284 79 L C 0.181 177.166 176.870 0.192 0.000 1.013 79 L CA -0.085 54.977 54.840 0.369 0.000 0.824 79 L CB 1.328 43.725 42.059 0.563 0.000 1.221 79 L HN 0.456 nan 8.230 nan 0.000 0.418 80 G N 2.304 111.150 108.800 0.076 0.000 2.990 80 G HA2 0.441 4.288 3.960 -0.188 0.000 0.208 80 G HA3 0.441 4.288 3.960 -0.188 0.000 0.208 80 G C 0.490 175.304 174.900 -0.143 0.000 1.334 80 G CA -0.229 44.798 45.100 -0.122 0.000 1.024 80 G HN 0.729 nan 8.290 nan 0.000 0.574 81 G N -1.742 106.952 108.800 -0.177 0.000 2.813 81 G HA2 0.251 4.099 3.960 -0.188 0.000 0.209 81 G HA3 0.251 4.099 3.960 -0.188 0.000 0.209 81 G C 1.179 175.964 174.900 -0.192 0.000 1.150 81 G CA 2.032 46.971 45.100 -0.270 0.000 0.785 81 G HN 1.016 nan 8.290 nan 0.000 0.535 82 T N -3.666 110.850 114.554 -0.064 0.000 3.168 82 T HA 0.205 4.442 4.350 -0.188 0.000 0.261 82 T C 0.455 175.215 174.700 0.100 0.000 0.931 82 T CA -0.078 62.047 62.100 0.043 0.000 0.949 82 T CB 0.587 69.472 68.868 0.029 0.000 1.229 82 T HN 0.170 nan 8.240 nan 0.000 0.504 83 N N 0.792 119.555 118.700 0.104 0.000 2.761 83 N HA 0.779 5.406 4.740 -0.188 0.000 0.283 83 N C -1.583 174.105 175.510 0.297 0.000 1.377 83 N CA -0.968 52.183 53.050 0.169 0.000 0.791 83 N CB 1.556 40.077 38.487 0.057 0.000 1.540 83 N HN 0.470 nan 8.380 nan 0.000 0.539 84 F N -2.348 117.683 119.950 0.136 0.000 2.678 84 F HA 0.735 5.147 4.527 -0.192 0.000 0.308 84 F C -1.286 174.639 175.800 0.208 0.000 1.118 84 F CA -1.225 56.865 58.000 0.150 0.000 0.959 84 F CB 1.409 40.501 39.000 0.153 0.000 1.305 84 F HN 0.514 nan 8.300 nan 0.000 0.443 85 R N 1.450 122.109 120.500 0.264 0.000 2.744 85 R HA 0.907 5.134 4.340 -0.188 0.000 0.279 85 R C -2.307 174.112 176.300 0.198 0.000 0.977 85 R CA -1.057 55.143 56.100 0.165 0.000 0.906 85 R CB 2.094 32.452 30.300 0.098 0.000 1.197 85 R HN 0.587 nan 8.270 nan 0.000 0.463 86 V N 3.093 123.065 119.914 0.096 0.000 2.581 86 V HA 0.549 4.556 4.120 -0.188 0.000 0.303 86 V C -0.265 175.629 176.094 -0.333 0.000 1.041 86 V CA -0.782 61.405 62.300 -0.188 0.000 0.907 86 V CB 1.631 33.173 31.823 -0.468 0.000 0.994 86 V HN 0.844 nan 8.190 nan 0.000 0.442 87 M N 4.943 124.372 119.600 -0.286 0.000 2.386 87 M HA 0.537 4.904 4.480 -0.188 0.000 0.293 87 M C -2.082 174.176 176.300 -0.070 0.000 1.120 87 M CA -0.624 54.614 55.300 -0.103 0.000 0.909 87 M CB 1.907 34.513 32.600 0.010 0.000 1.661 87 M HN 0.533 nan 8.290 nan 0.000 0.452 88 L N 6.010 127.279 121.223 0.077 0.000 2.287 88 L HA 0.646 4.873 4.340 -0.188 0.000 0.287 88 L C -1.741 175.196 176.870 0.112 0.000 1.022 88 L CA -0.467 54.446 54.840 0.120 0.000 0.814 88 L CB 1.534 43.696 42.059 0.171 0.000 1.217 88 L HN 0.544 nan 8.230 nan 0.000 0.420 89 V N 5.920 125.908 119.914 0.123 0.000 2.384 89 V HA 0.404 4.411 4.120 -0.188 0.000 0.287 89 V C 0.016 176.214 176.094 0.174 0.000 1.020 89 V CA -0.795 61.578 62.300 0.122 0.000 0.850 89 V CB 1.866 33.740 31.823 0.086 0.000 0.987 89 V HN 0.705 nan 8.190 nan 0.000 0.436 90 K N 4.254 124.736 120.400 0.137 0.000 2.293 90 K HA 0.645 4.852 4.320 -0.188 0.000 0.267 90 K C -1.290 175.410 176.600 0.166 0.000 1.010 90 K CA -0.432 55.946 56.287 0.152 0.000 0.875 90 K CB 1.599 34.165 32.500 0.111 0.000 1.106 90 K HN 0.500 nan 8.250 nan 0.000 0.450 91 V N 3.991 124.048 119.914 0.238 0.000 2.370 91 V HA 0.565 4.572 4.120 -0.188 0.000 0.279 91 V C 0.625 176.881 176.094 0.271 0.000 1.029 91 V CA -0.323 62.112 62.300 0.226 0.000 0.870 91 V CB 1.083 33.019 31.823 0.188 0.000 0.984 91 V HN 1.030 nan 8.190 nan 0.000 0.451 92 G N 4.058 113.025 108.800 0.279 0.000 3.195 92 G HA2 0.729 4.576 3.960 -0.188 0.000 0.217 92 G HA3 0.729 4.576 3.960 -0.188 0.000 0.217 92 G C -0.983 174.085 174.900 0.280 0.000 1.166 92 G CA -0.322 44.929 45.100 0.253 0.000 0.812 92 G HN 0.516 nan 8.290 nan 0.000 0.617 99 W N 1.639 122.976 121.300 0.061 0.000 2.202 99 W HA 0.517 5.067 4.660 -0.182 0.000 0.332 99 W C 0.771 177.374 176.519 0.140 0.000 1.263 99 W CA -0.176 57.242 57.345 0.121 0.000 1.223 99 W CB 0.954 30.536 29.460 0.204 0.000 1.128 99 W HN 0.509 nan 8.180 nan 0.000 0.573 100 S N 0.905 116.843 115.700 0.397 0.000 2.500 100 S HA 0.793 5.150 4.470 -0.188 0.000 0.301 100 S C -1.327 173.414 174.600 0.235 0.000 1.092 100 S CA -0.967 57.392 58.200 0.265 0.000 1.030 100 S CB 1.601 64.909 63.200 0.179 0.000 1.031 100 S HN 0.259 nan 8.310 nan 0.000 0.483 101 V N 3.211 123.229 119.914 0.173 0.000 2.443 101 V HA 0.535 4.542 4.120 -0.188 0.000 0.293 101 V C -0.590 175.542 176.094 0.064 0.000 1.021 101 V CA -0.584 61.755 62.300 0.066 0.000 0.848 101 V CB 1.535 33.290 31.823 -0.113 0.000 0.998 101 V HN 0.947 nan 8.190 nan 0.000 0.424 102 K N 2.704 123.146 120.400 0.070 0.000 2.324 102 K HA 0.773 4.980 4.320 -0.188 0.000 0.253 102 K C -0.353 176.292 176.600 0.075 0.000 0.932 102 K CA -0.631 55.701 56.287 0.075 0.000 0.799 102 K CB 2.500 35.051 32.500 0.084 0.000 1.154 102 K HN 0.815 nan 8.250 nan 0.000 0.425 103 T N -0.527 114.075 114.554 0.080 0.000 2.924 103 T HA 0.560 4.797 4.350 -0.188 0.000 0.291 103 T C -0.666 174.122 174.700 0.146 0.000 1.045 103 T CA -0.979 61.181 62.100 0.099 0.000 1.015 103 T CB 1.646 70.559 68.868 0.075 0.000 1.103 103 T HN 0.361 nan 8.240 nan 0.000 0.496 104 K N 1.341 121.848 120.400 0.178 0.000 2.477 104 K HA 0.520 4.727 4.320 -0.188 0.000 0.255 104 K C -0.942 175.845 176.600 0.311 0.000 0.952 104 K CA -0.971 55.445 56.287 0.215 0.000 0.826 104 K CB 1.988 34.578 32.500 0.149 0.000 1.331 104 K HN 1.010 nan 8.250 nan 0.000 0.437 105 H N -0.078 119.112 119.070 0.200 0.000 2.948 105 H HA 0.465 4.910 4.556 -0.185 0.000 0.315 105 H C -1.758 173.715 175.328 0.243 0.000 1.360 105 H CA -0.810 55.346 56.048 0.181 0.000 1.125 105 H CB 2.140 31.937 29.762 0.058 0.000 1.844 105 H HN 0.461 nan 8.280 nan 0.000 0.529 106 Q N 1.192 121.071 119.800 0.131 0.000 2.320 106 Q HA 0.434 4.661 4.340 -0.188 0.000 0.272 106 Q C -1.627 174.247 176.000 -0.210 0.000 1.023 106 Q CA -0.570 55.188 55.803 -0.075 0.000 0.855 106 Q CB 2.181 30.964 28.738 0.075 0.000 1.367 106 Q HN 0.652 nan 8.270 nan 0.000 0.406 107 M N 3.186 122.588 119.600 -0.328 0.000 2.363 107 M HA 0.494 4.861 4.480 -0.188 0.000 0.343 107 M C -1.227 174.682 176.300 -0.651 0.000 1.165 107 M CA -0.271 54.840 55.300 -0.314 0.000 1.046 107 M CB 1.006 33.529 32.600 -0.127 0.000 1.648 107 M HN 0.733 nan 8.290 nan 0.000 0.452 108 Y N -0.452 119.594 120.300 -0.422 0.000 2.581 108 Y HA 0.500 4.936 4.550 -0.191 0.000 0.345 108 Y C 0.068 175.725 175.900 -0.404 0.000 1.036 108 Y CA -0.969 56.831 58.100 -0.502 0.000 1.042 108 Y CB 1.914 39.779 38.460 -0.992 0.000 1.289 108 Y HN 0.640 nan 8.280 nan 0.000 0.471 109 S N 2.088 117.830 115.700 0.071 0.000 2.502 109 S HA 0.611 4.968 4.470 -0.188 0.000 0.304 109 S C -0.771 173.996 174.600 0.279 0.000 1.097 109 S CA -0.906 57.377 58.200 0.137 0.000 1.045 109 S CB 1.317 64.562 63.200 0.075 0.000 1.019 109 S HN 0.780 nan 8.310 nan 0.000 0.481 110 I N 1.984 122.746 120.570 0.320 0.000 2.533 110 I HA 0.364 4.422 4.170 -0.188 0.000 0.284 110 I C -2.307 173.824 176.117 0.023 0.000 1.109 110 I CA -1.593 59.848 61.300 0.235 0.000 1.412 110 I CB 0.501 38.660 38.000 0.265 0.000 1.396 110 I HN 0.408 nan 8.210 nan 0.000 0.543 111 P HA 0.036 nan 4.420 nan 0.000 0.313 111 P C -0.066 177.180 177.300 -0.090 0.000 1.332 111 P CA 0.266 63.267 63.100 -0.165 0.000 0.777 111 P CB 0.427 31.944 31.700 -0.304 0.000 1.599 112 E N -1.127 119.019 120.200 -0.091 0.000 2.290 112 E HA -0.035 4.202 4.350 -0.188 0.000 0.199 112 E C 0.480 177.031 176.600 -0.082 0.000 0.912 112 E CA 0.507 56.864 56.400 -0.072 0.000 0.924 112 E CB -0.667 29.000 29.700 -0.055 0.000 0.901 112 E HN 0.457 nan 8.360 nan 0.000 0.487 113 D N 0.037 120.386 120.400 -0.085 0.000 2.826 113 D HA 0.116 4.644 4.640 -0.188 0.000 0.247 113 D C 0.616 176.868 176.300 -0.081 0.000 1.238 113 D CA 0.358 54.314 54.000 -0.073 0.000 0.894 113 D CB 0.177 40.942 40.800 -0.058 0.000 1.100 113 D HN 0.114 nan 8.370 nan 0.000 0.453 114 A N 0.177 122.939 122.820 -0.096 0.000 1.696 114 A HA 0.128 4.335 4.320 -0.188 0.000 0.184 114 A C 1.574 179.059 177.584 -0.164 0.000 1.658 114 A CA 0.535 52.515 52.037 -0.095 0.000 1.194 114 A CB -0.489 18.467 19.000 -0.073 0.000 1.036 114 A HN 0.179 nan 8.150 nan 0.000 0.579 115 M N 2.249 121.749 119.600 -0.166 0.000 2.331 115 M HA -0.138 4.230 4.480 -0.188 0.000 0.260 115 M C 1.540 177.611 176.300 -0.381 0.000 1.072 115 M CA 3.031 58.137 55.300 -0.324 0.000 1.065 115 M CB -0.745 31.758 32.600 -0.162 0.000 1.392 115 M HN 0.624 nan 8.290 nan 0.000 0.427 116 T N -3.947 110.468 114.554 -0.231 0.000 2.971 116 T HA 0.457 4.694 4.350 -0.188 0.000 0.252 116 T C 1.152 175.768 174.700 -0.141 0.000 1.022 116 T CA 0.051 62.040 62.100 -0.185 0.000 0.980 116 T CB -0.649 68.148 68.868 -0.119 0.000 1.044 116 T HN 0.394 nan 8.240 nan 0.000 0.501 117 G N 2.076 110.803 108.800 -0.122 0.000 2.516 117 G HA2 0.457 4.305 3.960 -0.188 0.000 0.276 117 G HA3 0.457 4.305 3.960 -0.188 0.000 0.276 117 G C 0.216 175.087 174.900 -0.047 0.000 1.390 117 G CA 0.012 45.071 45.100 -0.069 0.000 1.050 117 G HN 0.582 nan 8.290 nan 0.000 0.519 118 T N -3.176 111.379 114.554 0.002 0.000 2.828 118 T HA 0.460 4.697 4.350 -0.188 0.000 0.290 118 T C 1.619 176.377 174.700 0.097 0.000 1.019 118 T CA 0.404 62.534 62.100 0.050 0.000 1.031 118 T CB 1.382 70.284 68.868 0.058 0.000 1.001 118 T HN 0.853 nan 8.240 nan 0.000 0.531 119 A N 1.191 124.119 122.820 0.180 0.000 1.933 119 A HA -0.079 4.128 4.320 -0.188 0.000 0.218 119 A C 2.330 180.115 177.584 0.334 0.000 1.175 119 A CA 1.264 53.491 52.037 0.316 0.000 0.628 119 A CB -0.732 18.504 19.000 0.393 0.000 0.814 119 A HN 0.945 nan 8.150 nan 0.000 0.444 120 E N 0.164 120.494 120.200 0.216 0.000 2.077 120 E HA -0.217 4.021 4.350 -0.188 0.000 0.193 120 E C 1.965 178.658 176.600 0.155 0.000 0.989 120 E CA 1.380 57.887 56.400 0.179 0.000 0.800 120 E CB -0.710 29.049 29.700 0.098 0.000 0.746 120 E HN 0.702 nan 8.360 nan 0.000 0.452 121 M N 0.628 120.293 119.600 0.109 0.000 2.117 121 M HA -0.065 4.302 4.480 -0.188 0.000 0.262 121 M C 2.569 178.921 176.300 0.087 0.000 1.065 121 M CA 1.100 56.449 55.300 0.082 0.000 1.114 121 M CB -0.227 32.398 32.600 0.042 0.000 1.361 121 M HN 0.077 nan 8.290 nan 0.000 0.408 122 L N -0.600 120.658 121.223 0.059 0.000 1.989 122 L HA -0.242 3.986 4.340 -0.188 0.000 0.211 122 L C 2.243 179.033 176.870 -0.134 0.000 1.071 122 L CA 1.843 56.658 54.840 -0.042 0.000 0.749 122 L CB -0.307 41.687 42.059 -0.109 0.000 0.890 122 L HN 0.190 nan 8.230 nan 0.000 0.431 123 F N 0.124 120.105 119.950 0.052 0.000 2.325 123 F HA -0.190 4.221 4.527 -0.194 0.000 0.299 123 F C 2.287 178.073 175.800 -0.023 0.000 1.090 123 F CA 0.983 58.970 58.000 -0.021 0.000 1.392 123 F CB -0.410 38.567 39.000 -0.039 0.000 1.053 123 F HN 0.179 nan 8.300 nan 0.000 0.521 124 D N -0.980 119.517 120.400 0.161 0.000 2.117 124 D HA -0.234 4.293 4.640 -0.188 0.000 0.197 124 D C 2.020 178.384 176.300 0.108 0.000 0.987 124 D CA 1.223 55.293 54.000 0.118 0.000 0.829 124 D CB -0.551 40.318 40.800 0.115 0.000 0.961 124 D HN 0.290 nan 8.370 nan 0.000 0.460 125 Y N 1.224 121.526 120.300 0.002 0.000 2.200 125 Y HA -0.096 4.340 4.550 -0.190 0.000 0.290 125 Y C 2.191 178.075 175.900 -0.026 0.000 1.137 125 Y CA 1.055 59.160 58.100 0.009 0.000 1.163 125 Y CB -0.331 38.142 38.460 0.023 0.000 0.988 125 Y HN -0.085 nan 8.280 nan 0.000 0.518 126 I N -0.929 119.522 120.570 -0.198 0.000 2.226 126 I HA -0.333 3.724 4.170 -0.188 0.000 0.245 126 I C 2.369 178.356 176.117 -0.216 0.000 1.100 126 I CA 1.617 62.669 61.300 -0.415 0.000 1.374 126 I CB -0.492 37.164 38.000 -0.573 0.000 1.057 126 I HN 0.097 nan 8.210 nan 0.000 0.413 127 S N -0.112 115.547 115.700 -0.067 0.000 2.399 127 S HA -0.219 4.138 4.470 -0.188 0.000 0.231 127 S C 1.921 176.562 174.600 0.069 0.000 1.022 127 S CA 1.205 59.442 58.200 0.062 0.000 0.983 127 S CB -0.239 63.016 63.200 0.093 0.000 0.803 127 S HN 0.455 nan 8.310 nan 0.000 0.480 128 E N 0.085 120.260 120.200 -0.042 0.000 2.106 128 E HA -0.134 4.104 4.350 -0.188 0.000 0.192 128 E C 1.910 178.416 176.600 -0.157 0.000 0.984 128 E CA 1.085 57.452 56.400 -0.056 0.000 0.806 128 E CB -0.071 29.587 29.700 -0.070 0.000 0.750 128 E HN 0.479 nan 8.360 nan 0.000 0.458 129 C N 0.306 119.401 119.300 -0.342 0.000 2.440 129 C HA -0.054 4.294 4.460 -0.188 0.000 0.278 129 C C 2.507 177.342 174.990 -0.258 0.000 1.295 129 C CA 0.301 59.032 59.018 -0.479 0.000 1.738 129 C CB -0.725 26.451 27.740 -0.940 0.000 1.987 129 C HN 0.482 nan 8.230 nan 0.000 0.492 130 I N 0.358 120.829 120.570 -0.165 0.000 2.315 130 I HA -0.163 3.895 4.170 -0.188 0.000 0.248 130 I C 2.694 178.708 176.117 -0.172 0.000 1.117 130 I CA 1.427 62.680 61.300 -0.079 0.000 1.404 130 I CB -0.471 37.517 38.000 -0.021 0.000 1.071 130 I HN 0.291 nan 8.210 nan 0.000 0.419 131 S N 0.611 116.150 115.700 -0.269 0.000 2.368 131 S HA -0.274 4.083 4.470 -0.188 0.000 0.225 131 S C 1.745 176.225 174.600 -0.201 0.000 1.030 131 S CA 2.187 60.099 58.200 -0.479 0.000 0.999 131 S CB -0.281 62.808 63.200 -0.184 0.000 0.844 131 S HN 0.524 nan 8.310 nan 0.000 0.459 132 D N -0.529 119.836 120.400 -0.059 0.000 2.144 132 D HA -0.107 4.420 4.640 -0.188 0.000 0.200 132 D C 1.717 178.069 176.300 0.086 0.000 0.978 132 D CA 1.091 55.103 54.000 0.019 0.000 0.833 132 D CB -0.357 40.481 40.800 0.064 0.000 0.961 132 D HN 0.471 nan 8.370 nan 0.000 0.470 133 F N 0.264 120.234 119.950 0.034 0.000 2.102 133 F HA -0.125 4.293 4.527 -0.183 0.000 0.298 133 F C 1.819 177.708 175.800 0.150 0.000 1.105 133 F CA 0.951 59.041 58.000 0.149 0.000 1.239 133 F CB -0.159 38.920 39.000 0.131 0.000 0.991 133 F HN 0.008 nan 8.300 nan 0.000 0.474 134 L N 0.439 121.758 121.223 0.161 0.000 2.083 134 L HA -0.210 4.017 4.340 -0.188 0.000 0.209 134 L C 2.102 178.957 176.870 -0.025 0.000 1.083 134 L CA 1.585 56.449 54.840 0.040 0.000 0.752 134 L CB -1.510 40.485 42.059 -0.107 0.000 0.899 134 L HN 0.139 nan 8.230 nan 0.000 0.433 135 D N -0.267 120.099 120.400 -0.057 0.000 2.084 135 D HA -0.165 4.362 4.640 -0.188 0.000 0.194 135 D C 2.091 178.338 176.300 -0.089 0.000 0.990 135 D CA 0.977 54.942 54.000 -0.059 0.000 0.826 135 D CB 0.021 40.790 40.800 -0.051 0.000 0.971 135 D HN 0.177 nan 8.370 nan 0.000 0.453 136 K N 0.109 120.429 120.400 -0.132 0.000 2.281 136 K HA -0.136 4.071 4.320 -0.188 0.000 0.203 136 K C 1.057 177.377 176.600 -0.467 0.000 1.046 136 K CA 0.911 57.031 56.287 -0.279 0.000 0.938 136 K CB -0.311 31.986 32.500 -0.338 0.000 0.737 136 K HN 0.417 nan 8.250 nan 0.000 0.458 137 H N -0.053 118.860 119.070 -0.261 0.000 2.592 137 H HA 0.116 4.560 4.556 -0.186 0.000 0.279 137 H C -0.387 174.870 175.328 -0.118 0.000 1.089 137 H CA -0.279 55.637 56.048 -0.220 0.000 1.150 137 H CB 0.568 30.146 29.762 -0.306 0.000 1.575 137 H HN -0.010 nan 8.280 nan 0.000 0.547 138 Q N -0.081 119.703 119.800 -0.026 0.000 2.453 138 Q HA -0.180 4.048 4.340 -0.188 0.000 0.294 138 Q C -0.159 175.857 176.000 0.027 0.000 1.295 138 Q CA 0.586 56.384 55.803 -0.009 0.000 0.853 138 Q CB -1.184 27.541 28.738 -0.021 0.000 1.193 138 Q HN 0.457 nan 8.270 nan 0.000 0.461 139 M N -1.238 118.385 119.600 0.038 0.000 2.869 139 M HA 0.195 4.563 4.480 -0.188 0.000 0.338 139 M C 0.919 177.245 176.300 0.044 0.000 1.227 139 M CA -0.031 55.299 55.300 0.050 0.000 0.946 139 M CB 0.700 33.337 32.600 0.061 0.000 1.299 139 M HN 0.027 nan 8.290 nan 0.000 0.518 140 K N -0.317 120.113 120.400 0.049 0.000 2.166 140 K HA 0.060 4.268 4.320 -0.188 0.000 0.201 140 K C 1.924 178.589 176.600 0.109 0.000 1.052 140 K CA 1.099 57.419 56.287 0.054 0.000 0.969 140 K CB -0.123 32.401 32.500 0.041 0.000 0.761 140 K HN 0.352 nan 8.250 nan 0.000 0.459 141 H N 0.013 119.095 119.070 0.021 0.000 2.319 141 H HA -0.095 4.348 4.556 -0.188 0.000 0.299 141 H C 0.136 175.480 175.328 0.025 0.000 1.092 141 H CA 1.310 57.372 56.048 0.023 0.000 1.302 141 H CB 0.246 30.015 29.762 0.013 0.000 1.373 141 H HN -0.127 nan 8.280 nan 0.000 0.497 142 K N 1.925 122.362 120.400 0.061 0.000 2.276 142 K HA 0.030 4.238 4.320 -0.188 0.000 0.283 142 K C -0.430 176.170 176.600 -0.001 0.000 1.044 142 K CA -0.403 55.884 56.287 -0.001 0.000 0.944 142 K CB 0.766 33.285 32.500 0.031 0.000 1.012 142 K HN -0.020 nan 8.250 nan 0.000 0.472 143 K N 6.636 127.023 120.400 -0.022 0.000 2.316 143 K HA 0.141 4.348 4.320 -0.188 0.000 0.289 143 K C -0.900 175.697 176.600 -0.005 0.000 1.070 143 K CA -0.189 56.101 56.287 0.006 0.000 0.928 143 K CB 0.163 32.656 32.500 -0.012 0.000 1.039 143 K HN 0.655 nan 8.250 nan 0.000 0.480 144 L N 6.249 127.481 121.223 0.016 0.000 2.352 144 L HA 0.523 4.750 4.340 -0.188 0.000 0.269 144 L C -1.969 174.906 176.870 0.007 0.000 1.034 144 L CA -2.359 52.470 54.840 -0.018 0.000 0.806 144 L CB 1.663 43.718 42.059 -0.007 0.000 1.244 144 L HN 0.588 nan 8.230 nan 0.000 0.447 145 P HA 0.337 nan 4.420 nan 0.000 0.286 145 P C -1.370 175.993 177.300 0.105 0.000 1.261 145 P CA -0.529 62.611 63.100 0.067 0.000 0.821 145 P CB 2.213 33.988 31.700 0.126 0.000 1.013 146 L N 1.795 123.078 121.223 0.099 0.000 2.385 146 L HA 0.778 5.005 4.340 -0.188 0.000 0.273 146 L C -0.359 176.580 176.870 0.114 0.000 0.990 146 L CA -0.286 54.613 54.840 0.097 0.000 0.821 146 L CB 1.892 43.984 42.059 0.055 0.000 1.279 146 L HN 0.509 nan 8.230 nan 0.000 0.412 147 G N 3.087 111.965 108.800 0.130 0.000 2.371 147 G HA2 0.516 4.364 3.960 -0.188 0.000 0.326 147 G HA3 0.516 4.364 3.960 -0.188 0.000 0.326 147 G C -1.737 173.303 174.900 0.232 0.000 1.127 147 G CA -0.296 44.891 45.100 0.145 0.000 0.885 147 G HN 0.450 nan 8.290 nan 0.000 0.477 148 F N 2.023 122.010 119.950 0.061 0.000 2.460 148 F HA 0.562 4.990 4.527 -0.163 0.000 0.341 148 F C -0.100 175.776 175.800 0.127 0.000 1.130 148 F CA -1.290 56.764 58.000 0.089 0.000 0.962 148 F CB 1.782 40.822 39.000 0.066 0.000 1.171 148 F HN 0.281 nan 8.300 nan 0.000 0.436 149 T N 7.475 122.188 114.554 0.264 0.000 2.744 149 T HA 0.380 4.617 4.350 -0.188 0.000 0.291 149 T C -1.327 173.361 174.700 -0.021 0.000 0.957 149 T CA -0.065 62.066 62.100 0.050 0.000 1.002 149 T CB 0.241 69.156 68.868 0.078 0.000 0.919 149 T HN 0.380 nan 8.240 nan 0.000 0.468 150 F N 2.918 122.639 119.950 -0.382 0.000 2.496 150 F HA 0.360 4.778 4.527 -0.182 0.000 0.341 150 F C 0.423 176.138 175.800 -0.141 0.000 1.134 150 F CA -1.160 56.650 58.000 -0.317 0.000 0.968 150 F CB 1.324 39.949 39.000 -0.625 0.000 1.205 150 F HN 0.436 nan 8.300 nan 0.000 0.436 151 S N 6.402 121.830 115.700 -0.452 0.000 3.122 151 S HA 0.286 4.643 4.470 -0.188 0.000 0.249 151 S C -0.744 173.156 174.600 -1.167 0.000 1.334 151 S CA 0.068 57.850 58.200 -0.697 0.000 1.251 151 S CB -1.074 61.722 63.200 -0.673 0.000 1.034 151 S HN 0.387 nan 8.310 nan 0.000 0.478 152 F N 0.379 120.071 119.950 -0.430 0.000 2.643 152 F HA 0.458 4.895 4.527 -0.150 0.000 0.314 152 F C -2.780 172.957 175.800 -0.105 0.000 1.096 152 F CA -2.876 54.955 58.000 -0.282 0.000 0.953 152 F CB 0.779 39.503 39.000 -0.459 0.000 1.345 152 F HN -0.164 nan 8.300 nan 0.000 0.468 153 P HA 0.203 nan 4.420 nan 0.000 0.265 153 P C -1.058 176.311 177.300 0.116 0.000 1.222 153 P CA 0.146 63.317 63.100 0.119 0.000 0.767 153 P CB 0.594 32.365 31.700 0.118 0.000 0.801 154 V N 4.872 124.855 119.914 0.116 0.000 2.656 154 V HA 0.411 4.418 4.120 -0.188 0.000 0.307 154 V C 0.282 176.391 176.094 0.026 0.000 1.051 154 V CA -0.835 61.489 62.300 0.040 0.000 0.893 154 V CB 2.297 34.102 31.823 -0.030 0.000 0.999 154 V HN 0.405 nan 8.190 nan 0.000 0.426 155 R N 3.968 124.460 120.500 -0.015 0.000 2.196 155 R HA 0.364 4.591 4.340 -0.188 0.000 0.340 155 R C -0.468 175.822 176.300 -0.016 0.000 1.043 155 R CA -0.454 55.676 56.100 0.050 0.000 0.883 155 R CB 0.339 30.677 30.300 0.062 0.000 1.078 155 R HN 0.793 nan 8.270 nan 0.000 0.462 156 H N 2.879 122.010 119.070 0.102 0.000 2.582 156 H HA 0.043 4.481 4.556 -0.197 0.000 0.345 156 H C 0.138 175.533 175.328 0.111 0.000 1.104 156 H CA -0.071 56.046 56.048 0.115 0.000 1.390 156 H CB 1.967 31.867 29.762 0.229 0.000 1.461 156 H HN 0.713 nan 8.280 nan 0.000 0.551 157 E N 0.483 120.690 120.200 0.011 0.000 2.413 157 E HA 0.010 4.247 4.350 -0.188 0.000 0.203 157 E C -0.269 175.947 176.600 -0.640 0.000 0.957 157 E CA 0.263 56.566 56.400 -0.161 0.000 0.950 157 E CB 0.961 30.588 29.700 -0.121 0.000 0.957 157 E HN 0.594 nan 8.360 nan 0.000 0.497 158 D N -1.328 118.716 120.400 -0.594 0.000 2.779 158 D HA 0.099 4.626 4.640 -0.188 0.000 0.331 158 D C 0.031 176.198 176.300 -0.221 0.000 1.331 158 D CA -0.598 52.937 54.000 -0.775 0.000 0.866 158 D CB 0.527 41.090 40.800 -0.396 0.000 1.409 158 D HN -0.039 nan 8.370 nan 0.000 0.486 159 I N 0.396 120.910 120.570 -0.094 0.000 2.830 159 I HA -0.110 3.947 4.170 -0.188 0.000 0.263 159 I C 0.274 176.432 176.117 0.069 0.000 1.230 159 I CA 1.295 62.614 61.300 0.033 0.000 1.480 159 I CB 0.210 38.222 38.000 0.019 0.000 1.095 159 I HN 0.266 nan 8.210 nan 0.000 0.455 160 D N 0.448 120.866 120.400 0.030 0.000 2.720 160 D HA 0.129 4.657 4.640 -0.188 0.000 0.285 160 D C -0.016 176.287 176.300 0.005 0.000 1.359 160 D CA -0.282 53.741 54.000 0.039 0.000 0.818 160 D CB 0.050 40.856 40.800 0.010 0.000 1.108 160 D HN 0.140 nan 8.370 nan 0.000 0.474 161 K N 0.129 120.533 120.400 0.007 0.000 2.619 161 K HA 0.566 4.773 4.320 -0.188 0.000 0.251 161 K C -1.458 175.069 176.600 -0.121 0.000 0.987 161 K CA -0.513 55.733 56.287 -0.069 0.000 0.844 161 K CB 1.644 34.086 32.500 -0.097 0.000 1.237 161 K HN 0.128 nan 8.250 nan 0.000 0.447 162 G N 3.427 112.097 108.800 -0.216 0.000 2.759 162 G HA2 0.499 4.346 3.960 -0.188 0.000 0.297 162 G HA3 0.499 4.346 3.960 -0.188 0.000 0.297 162 G C -1.454 173.301 174.900 -0.243 0.000 1.434 162 G CA -0.873 44.017 45.100 -0.351 0.000 0.980 162 G HN 0.590 nan 8.290 nan 0.000 0.531 163 I N 0.239 120.704 120.570 -0.176 0.000 2.412 163 I HA 0.764 4.822 4.170 -0.188 0.000 0.296 163 I C -0.270 175.787 176.117 -0.100 0.000 0.987 163 I CA -1.286 59.938 61.300 -0.128 0.000 1.180 163 I CB 1.795 39.742 38.000 -0.088 0.000 1.340 163 I HN 0.410 nan 8.210 nan 0.000 0.455 164 L N 6.661 127.825 121.223 -0.098 0.000 2.462 164 L HA 0.239 4.466 4.340 -0.188 0.000 0.272 164 L C 0.345 177.154 176.870 -0.100 0.000 1.166 164 L CA 0.522 55.313 54.840 -0.082 0.000 0.880 164 L CB 0.428 42.364 42.059 -0.205 0.000 1.142 164 L HN 0.859 nan 8.230 nan 0.000 0.473 165 L N 4.220 125.413 121.223 -0.051 0.000 2.068 165 L HA 0.106 4.333 4.340 -0.188 0.000 0.204 165 L C 0.391 177.231 176.870 -0.051 0.000 1.076 165 L CA 0.563 55.386 54.840 -0.028 0.000 0.753 165 L CB -0.300 41.772 42.059 0.022 0.000 0.910 165 L HN 0.920 nan 8.230 nan 0.000 0.439 166 N N -2.764 115.897 118.700 -0.066 0.000 3.049 166 N HA -0.001 4.626 4.740 -0.188 0.000 0.244 166 N C -1.770 173.739 175.510 -0.001 0.000 1.203 166 N CA -0.686 52.331 53.050 -0.055 0.000 0.945 166 N CB 0.315 38.831 38.487 0.048 0.000 1.616 166 N HN -0.068 nan 8.380 nan 0.000 0.505 167 W N 1.160 122.504 121.300 0.073 0.000 2.126 167 W HA 0.397 4.938 4.660 -0.198 0.000 0.346 167 W C 1.100 177.736 176.519 0.196 0.000 1.279 167 W CA 0.310 57.692 57.345 0.061 0.000 1.259 167 W CB 0.857 30.314 29.460 -0.006 0.000 1.133 167 W HN 0.661 nan 8.180 nan 0.000 0.592 168 T N -2.363 112.592 114.554 0.670 0.000 2.812 168 T HA 0.411 4.648 4.350 -0.188 0.000 0.294 168 T C -0.351 174.644 174.700 0.492 0.000 1.159 168 T CA -1.138 61.251 62.100 0.482 0.000 1.008 168 T CB 1.759 70.858 68.868 0.385 0.000 1.289 168 T HN 0.565 nan 8.240 nan 0.000 0.514 169 K N -0.059 120.561 120.400 0.367 0.000 3.209 169 K HA -0.175 4.032 4.320 -0.188 0.000 0.289 169 K C 0.975 177.718 176.600 0.238 0.000 1.191 169 K CA 0.807 57.263 56.287 0.281 0.000 0.851 169 K CB -1.999 30.623 32.500 0.203 0.000 1.242 169 K HN 1.791 nan 8.250 nan 0.000 0.480 170 G N 0.159 109.111 108.800 0.253 0.000 2.179 170 G HA2 -0.349 3.498 3.960 -0.188 0.000 0.257 170 G HA3 -0.349 3.498 3.960 -0.188 0.000 0.257 170 G C -0.018 174.950 174.900 0.114 0.000 1.010 170 G CA 0.451 45.648 45.100 0.161 0.000 0.736 170 G HN 0.375 nan 8.290 nan 0.000 0.513 171 F N 0.673 120.600 119.950 -0.038 0.000 2.370 171 F HA 0.753 5.172 4.527 -0.180 0.000 0.324 171 F C 0.316 175.772 175.800 -0.573 0.000 1.116 171 F CA -0.641 57.172 58.000 -0.312 0.000 1.123 171 F CB 1.376 40.137 39.000 -0.399 0.000 1.238 171 F HN 0.301 nan 8.300 nan 0.000 0.536 172 K N 2.671 122.161 120.400 -1.517 0.000 2.555 172 K HA 0.811 5.019 4.320 -0.188 0.000 0.279 172 K C -2.249 173.527 176.600 -1.374 0.000 0.986 172 K CA -0.447 55.108 56.287 -1.220 0.000 0.880 172 K CB 1.997 34.197 32.500 -0.501 0.000 1.474 172 K HN 1.005 nan 8.250 nan 0.000 0.433 173 A N 1.690 124.134 122.820 -0.626 0.000 2.246 173 A HA 0.366 4.574 4.320 -0.188 0.000 0.302 173 A C -0.854 176.836 177.584 0.178 0.000 0.999 173 A CA -0.322 51.568 52.037 -0.244 0.000 0.998 173 A CB -0.409 18.435 19.000 -0.260 0.000 1.183 173 A HN 1.006 nan 8.150 nan 0.000 0.351 174 S N 1.388 117.141 115.700 0.088 0.000 2.587 174 S HA 0.514 4.872 4.470 -0.188 0.000 0.260 174 S C 1.435 176.128 174.600 0.155 0.000 1.353 174 S CA 0.715 58.989 58.200 0.124 0.000 0.995 174 S CB 0.851 64.085 63.200 0.057 0.000 0.912 174 S HN 2.695 nan 8.310 nan 0.000 0.568 175 G N -0.237 108.632 108.800 0.115 0.000 2.187 175 G HA2 -0.124 3.723 3.960 -0.188 0.000 0.261 175 G HA3 -0.124 3.723 3.960 -0.188 0.000 0.261 175 G C 0.650 175.613 174.900 0.105 0.000 1.000 175 G CA 0.519 45.673 45.100 0.091 0.000 0.718 175 G HN 1.456 nan 8.290 nan 0.000 0.519 176 A N -0.569 122.334 122.820 0.138 0.000 1.970 176 A HA 0.520 4.728 4.320 -0.188 0.000 0.204 176 A C 0.978 178.497 177.584 -0.109 0.000 1.325 176 A CA 0.921 53.007 52.037 0.081 0.000 0.767 176 A CB 0.128 19.290 19.000 0.269 0.000 0.949 176 A HN 0.534 nan 8.150 nan 0.000 0.481 177 E N -0.301 119.800 120.200 -0.165 0.000 2.415 177 E HA 0.348 4.585 4.350 -0.188 0.000 0.263 177 E C 0.955 177.500 176.600 -0.091 0.000 0.995 177 E CA 0.587 56.874 56.400 -0.188 0.000 0.915 177 E CB 0.147 29.762 29.700 -0.143 0.000 0.951 177 E HN 0.741 nan 8.360 nan 0.000 0.449 178 G N 3.018 111.765 108.800 -0.088 0.000 2.179 178 G HA2 -0.279 3.569 3.960 -0.188 0.000 0.260 178 G HA3 -0.279 3.569 3.960 -0.188 0.000 0.260 178 G C 0.036 174.899 174.900 -0.061 0.000 0.977 178 G CA 0.090 45.156 45.100 -0.057 0.000 0.641 178 G HN 0.529 nan 8.290 nan 0.000 0.533 179 N N 0.179 118.833 118.700 -0.078 0.000 2.466 179 N HA 0.498 5.126 4.740 -0.188 0.000 0.294 179 N C -0.279 175.161 175.510 -0.116 0.000 1.129 179 N CA -0.661 52.339 53.050 -0.083 0.000 0.931 179 N CB 0.800 39.245 38.487 -0.070 0.000 1.193 179 N HN 0.209 nan 8.380 nan 0.000 0.500 180 N N 1.174 119.799 118.700 -0.125 0.000 2.399 180 N HA 0.017 4.644 4.740 -0.188 0.000 0.259 180 N C 0.604 175.990 175.510 -0.207 0.000 1.160 180 N CA 0.005 52.964 53.050 -0.153 0.000 0.946 180 N CB 0.420 38.827 38.487 -0.133 0.000 1.156 180 N HN 0.322 nan 8.380 nan 0.000 0.489 181 V N 3.812 123.579 119.914 -0.245 0.000 2.392 181 V HA -0.230 3.777 4.120 -0.188 0.000 0.249 181 V C 2.176 178.079 176.094 -0.318 0.000 1.059 181 V CA 1.438 63.533 62.300 -0.342 0.000 1.051 181 V CB -0.459 31.042 31.823 -0.536 0.000 0.658 181 V HN 0.569 nan 8.190 nan 0.000 0.455 182 V N 1.133 120.936 119.914 -0.185 0.000 2.343 182 V HA -0.163 3.844 4.120 -0.188 0.000 0.247 182 V C 2.663 178.616 176.094 -0.236 0.000 1.051 182 V CA 2.145 64.362 62.300 -0.138 0.000 1.036 182 V CB -1.399 30.388 31.823 -0.060 0.000 0.654 182 V HN 0.606 nan 8.190 nan 0.000 0.451 183 G N -0.325 108.343 108.800 -0.220 0.000 2.422 183 G HA2 -0.195 3.652 3.960 -0.188 0.000 0.218 183 G HA3 -0.195 3.652 3.960 -0.188 0.000 0.218 183 G C 1.586 176.315 174.900 -0.286 0.000 1.146 183 G CA 0.796 45.770 45.100 -0.210 0.000 0.769 183 G HN 0.456 nan 8.290 nan 0.000 0.547 184 L N -0.422 120.552 121.223 -0.415 0.000 2.046 184 L HA -0.037 4.190 4.340 -0.188 0.000 0.208 184 L C 2.689 179.116 176.870 -0.737 0.000 1.077 184 L CA 0.686 55.183 54.840 -0.571 0.000 0.747 184 L CB -0.377 41.218 42.059 -0.772 0.000 0.896 184 L HN 0.269 nan 8.230 nan 0.000 0.432 185 L N -0.091 120.598 121.223 -0.890 0.000 2.109 185 L HA -0.152 4.075 4.340 -0.188 0.000 0.207 185 L C 2.619 179.302 176.870 -0.313 0.000 1.086 185 L CA 1.563 56.046 54.840 -0.595 0.000 0.760 185 L CB -0.512 41.184 42.059 -0.604 0.000 0.910 185 L HN 0.027 nan 8.230 nan 0.000 0.437 186 R N -0.117 120.211 120.500 -0.287 0.000 2.081 186 R HA -0.144 4.083 4.340 -0.188 0.000 0.235 186 R C 1.954 178.145 176.300 -0.181 0.000 1.131 186 R CA 1.762 57.739 56.100 -0.204 0.000 0.960 186 R CB -0.399 29.798 30.300 -0.171 0.000 0.856 186 R HN 0.419 nan 8.270 nan 0.000 0.436 187 D N -0.076 120.217 120.400 -0.178 0.000 2.104 187 D HA -0.155 4.372 4.640 -0.188 0.000 0.194 187 D C 1.724 177.959 176.300 -0.110 0.000 0.994 187 D CA 1.748 55.669 54.000 -0.131 0.000 0.830 187 D CB -0.454 40.276 40.800 -0.116 0.000 0.959 187 D HN 0.357 nan 8.370 nan 0.000 0.452 188 A N 0.747 123.510 122.820 -0.096 0.000 1.908 188 A HA -0.158 4.050 4.320 -0.188 0.000 0.218 188 A C 2.411 179.944 177.584 -0.086 0.000 1.181 188 A CA 1.045 53.060 52.037 -0.038 0.000 0.627 188 A CB -0.818 18.215 19.000 0.054 0.000 0.818 188 A HN 0.222 nan 8.150 nan 0.000 0.445 189 I N -0.961 119.519 120.570 -0.151 0.000 2.264 189 I HA -0.257 3.800 4.170 -0.188 0.000 0.248 189 I C 2.530 178.445 176.117 -0.337 0.000 1.111 189 I CA 1.607 62.726 61.300 -0.301 0.000 1.382 189 I CB -0.188 37.606 38.000 -0.342 0.000 1.060 189 I HN 0.182 nan 8.210 nan 0.000 0.418 190 K N 1.418 121.685 120.400 -0.221 0.000 2.002 190 K HA -0.125 4.082 4.320 -0.188 0.000 0.209 190 K C 2.100 178.621 176.600 -0.132 0.000 1.048 190 K CA 1.582 57.762 56.287 -0.177 0.000 0.930 190 K CB -0.287 32.134 32.500 -0.131 0.000 0.714 190 K HN 0.136 nan 8.250 nan 0.000 0.438 191 R N -0.387 120.058 120.500 -0.093 0.000 2.159 191 R HA -0.122 4.105 4.340 -0.188 0.000 0.237 191 R C 2.404 178.679 176.300 -0.042 0.000 1.131 191 R CA 1.543 57.612 56.100 -0.052 0.000 0.982 191 R CB -0.229 30.056 30.300 -0.025 0.000 0.868 191 R HN 0.072 nan 8.270 nan 0.000 0.453 192 R N -0.129 120.333 120.500 -0.063 0.000 2.073 192 R HA -0.045 4.182 4.340 -0.188 0.000 0.229 192 R C 1.371 177.652 176.300 -0.032 0.000 1.120 192 R CA 1.355 57.445 56.100 -0.017 0.000 0.967 192 R CB -0.317 29.993 30.300 0.018 0.000 0.862 192 R HN 0.374 nan 8.270 nan 0.000 0.436 193 G N 0.546 109.275 108.800 -0.118 0.000 2.225 193 G HA2 -0.329 3.518 3.960 -0.188 0.000 0.272 193 G HA3 -0.329 3.518 3.960 -0.188 0.000 0.272 193 G C 0.320 175.204 174.900 -0.027 0.000 0.996 193 G CA 1.042 46.087 45.100 -0.093 0.000 0.710 193 G HN 0.689 nan 8.290 nan 0.000 0.522 194 D N -0.986 119.443 120.400 0.049 0.000 2.395 194 D HA 0.369 4.896 4.640 -0.188 0.000 0.213 194 D C 0.497 176.968 176.300 0.284 0.000 1.110 194 D CA 0.295 54.386 54.000 0.152 0.000 0.835 194 D CB -0.122 40.784 40.800 0.177 0.000 0.965 194 D HN 0.832 nan 8.370 nan 0.000 0.505 195 F N -1.003 118.944 119.950 -0.005 0.000 2.725 195 F HA 0.526 4.939 4.527 -0.190 0.000 0.309 195 F C -1.607 174.181 175.800 -0.019 0.000 1.132 195 F CA -1.161 56.834 58.000 -0.008 0.000 0.957 195 F CB 0.792 39.795 39.000 0.005 0.000 1.286 195 F HN -0.323 nan 8.300 nan 0.000 0.440 196 E N 2.978 123.216 120.200 0.064 0.000 2.222 196 E HA 0.711 4.948 4.350 -0.188 0.000 0.272 196 E C -1.277 175.359 176.600 0.060 0.000 0.982 196 E CA -1.213 55.159 56.400 -0.045 0.000 0.842 196 E CB 2.577 32.262 29.700 -0.025 0.000 1.144 196 E HN 0.785 nan 8.360 nan 0.000 0.397 197 M N 1.797 121.387 119.600 -0.018 0.000 2.346 197 M HA 0.175 4.542 4.480 -0.188 0.000 0.287 197 M C -2.258 174.035 176.300 -0.011 0.000 1.100 197 M CA -0.570 54.754 55.300 0.040 0.000 0.950 197 M CB 2.018 34.693 32.600 0.124 0.000 1.815 197 M HN 0.315 nan 8.290 nan 0.000 0.497 198 D N 3.885 124.289 120.400 0.006 0.000 2.317 198 D HA 0.355 4.882 4.640 -0.188 0.000 0.234 198 D C -0.659 175.648 176.300 0.011 0.000 1.112 198 D CA -0.038 53.960 54.000 -0.003 0.000 0.840 198 D CB 2.004 42.807 40.800 0.006 0.000 1.078 198 D HN 0.338 nan 8.370 nan 0.000 0.486 199 V N 3.325 123.235 119.914 -0.007 0.000 2.372 199 V HA 0.026 4.034 4.120 -0.188 0.000 0.261 199 V C 1.594 177.705 176.094 0.028 0.000 1.055 199 V CA -0.366 61.941 62.300 0.011 0.000 0.930 199 V CB 1.040 32.850 31.823 -0.022 0.000 1.031 199 V HN 0.475 nan 8.190 nan 0.000 0.479 200 V N 1.929 121.876 119.914 0.054 0.000 3.650 200 V HA 0.759 4.767 4.120 -0.188 0.000 0.271 200 V C 0.628 176.753 176.094 0.052 0.000 1.281 200 V CA 0.695 63.025 62.300 0.050 0.000 1.120 200 V CB -0.146 31.716 31.823 0.066 0.000 0.856 200 V HN 0.943 nan 8.190 nan 0.000 0.443 201 A N 0.471 123.338 122.820 0.078 0.000 2.590 201 A HA 0.744 4.952 4.320 -0.188 0.000 0.296 201 A C -1.163 176.508 177.584 0.144 0.000 1.050 201 A CA -0.216 51.871 52.037 0.084 0.000 0.697 201 A CB 1.528 20.556 19.000 0.047 0.000 1.277 201 A HN 0.536 nan 8.150 nan 0.000 0.411 202 M N 2.666 122.357 119.600 0.152 0.000 2.263 202 M HA 0.700 5.067 4.480 -0.188 0.000 0.295 202 M C -1.463 174.926 176.300 0.149 0.000 1.028 202 M CA -0.680 54.717 55.300 0.161 0.000 0.921 202 M CB 1.749 34.436 32.600 0.145 0.000 1.601 202 M HN 1.376 nan 8.290 nan 0.000 0.440 203 V N 1.534 121.483 119.914 0.058 0.000 3.040 203 V HA 0.618 4.625 4.120 -0.188 0.000 0.312 203 V C -0.752 175.353 176.094 0.019 0.000 1.115 203 V CA -0.957 61.356 62.300 0.022 0.000 0.998 203 V CB 1.787 33.592 31.823 -0.030 0.000 1.042 203 V HN 0.984 nan 8.190 nan 0.000 0.433 204 N N 1.363 120.070 118.700 0.011 0.000 2.467 204 N HA 0.057 4.685 4.740 -0.188 0.000 0.262 204 N C 0.498 175.969 175.510 -0.064 0.000 1.234 204 N CA 0.309 53.347 53.050 -0.020 0.000 0.952 204 N CB 1.637 40.109 38.487 -0.025 0.000 1.158 204 N HN 0.988 nan 8.380 nan 0.000 0.463 205 D N 0.489 120.830 120.400 -0.100 0.000 2.219 205 D HA -0.171 4.356 4.640 -0.188 0.000 0.205 205 D C 1.617 177.861 176.300 -0.095 0.000 0.970 205 D CA 1.612 55.556 54.000 -0.094 0.000 0.851 205 D CB -0.794 39.934 40.800 -0.121 0.000 0.943 205 D HN 0.693 nan 8.370 nan 0.000 0.488 206 T N -1.035 113.450 114.554 -0.115 0.000 2.777 206 T HA -0.105 4.132 4.350 -0.188 0.000 0.266 206 T C 2.235 176.874 174.700 -0.100 0.000 1.040 206 T CA 1.274 63.300 62.100 -0.123 0.000 1.141 206 T CB -0.896 67.872 68.868 -0.167 0.000 0.868 206 T HN 0.069 nan 8.240 nan 0.000 0.444 207 V N 2.485 122.340 119.914 -0.099 0.000 2.295 207 V HA -0.069 3.939 4.120 -0.188 0.000 0.246 207 V C 3.300 179.349 176.094 -0.075 0.000 1.049 207 V CA 1.677 63.917 62.300 -0.099 0.000 1.024 207 V CB -1.515 30.240 31.823 -0.113 0.000 0.648 207 V HN 0.677 nan 8.190 nan 0.000 0.447 208 A N -0.272 122.513 122.820 -0.059 0.000 1.908 208 A HA -0.245 3.962 4.320 -0.188 0.000 0.218 208 A C 2.392 179.959 177.584 -0.028 0.000 1.181 208 A CA 2.596 54.610 52.037 -0.039 0.000 0.627 208 A CB -1.011 17.974 19.000 -0.024 0.000 0.818 208 A HN 0.515 nan 8.150 nan 0.000 0.445 209 T N -0.312 114.221 114.554 -0.034 0.000 2.746 209 T HA -0.175 4.062 4.350 -0.188 0.000 0.267 209 T C 1.936 176.638 174.700 0.004 0.000 1.039 209 T CA 1.654 63.743 62.100 -0.018 0.000 1.142 209 T CB -0.295 68.551 68.868 -0.036 0.000 0.866 209 T HN 0.561 nan 8.240 nan 0.000 0.444 210 M N 0.455 120.047 119.600 -0.012 0.000 2.159 210 M HA -0.044 4.324 4.480 -0.188 0.000 0.263 210 M C 1.968 178.301 176.300 0.056 0.000 1.063 210 M CA 1.693 57.001 55.300 0.012 0.000 1.110 210 M CB -0.301 32.281 32.600 -0.030 0.000 1.374 210 M HN 0.220 nan 8.290 nan 0.000 0.411 211 I N -0.615 119.966 120.570 0.018 0.000 2.315 211 I HA -0.239 3.818 4.170 -0.188 0.000 0.248 211 I C 2.617 178.815 176.117 0.135 0.000 1.117 211 I CA 1.159 62.491 61.300 0.053 0.000 1.404 211 I CB -0.421 37.561 38.000 -0.029 0.000 1.071 211 I HN 0.373 nan 8.210 nan 0.000 0.419 212 S N -0.086 115.660 115.700 0.076 0.000 2.382 212 S HA -0.185 4.172 4.470 -0.188 0.000 0.228 212 S C 2.161 176.857 174.600 0.160 0.000 1.027 212 S CA 1.508 59.756 58.200 0.080 0.000 0.991 212 S CB -0.264 62.953 63.200 0.028 0.000 0.823 212 S HN 0.526 nan 8.310 nan 0.000 0.469 213 C N 0.199 119.588 119.300 0.148 0.000 2.467 213 C HA 0.126 4.474 4.460 -0.188 0.000 0.279 213 C C 2.271 177.376 174.990 0.192 0.000 1.347 213 C CA 0.318 59.427 59.018 0.152 0.000 1.748 213 C CB -1.736 26.073 27.740 0.115 0.000 1.977 213 C HN 0.809 nan 8.230 nan 0.000 0.501 214 Y N 0.634 120.997 120.300 0.105 0.000 2.207 214 Y HA -0.283 4.155 4.550 -0.187 0.000 0.287 214 Y C 2.444 178.505 175.900 0.269 0.000 1.156 214 Y CA 1.971 60.149 58.100 0.130 0.000 1.182 214 Y CB -0.781 37.697 38.460 0.031 0.000 0.979 214 Y HN 0.457 nan 8.280 nan 0.000 0.521 215 Y N 1.163 121.545 120.300 0.136 0.000 2.114 215 Y HA -0.281 4.154 4.550 -0.190 0.000 0.282 215 Y C 2.125 178.008 175.900 -0.029 0.000 1.165 215 Y CA 2.512 60.654 58.100 0.071 0.000 1.148 215 Y CB -0.452 38.038 38.460 0.051 0.000 0.972 215 Y HN 0.252 nan 8.280 nan 0.000 0.504 216 E N -0.799 119.396 120.200 -0.009 0.000 2.299 216 E HA -0.034 4.203 4.350 -0.188 0.000 0.193 216 E C -0.295 176.209 176.600 -0.160 0.000 0.998 216 E CA 0.848 57.171 56.400 -0.128 0.000 0.851 216 E CB 0.339 30.064 29.700 0.041 0.000 0.795 216 E HN 0.241 nan 8.360 nan 0.000 0.492 217 D N -1.279 119.056 120.400 -0.107 0.000 2.375 217 D HA 0.070 4.597 4.640 -0.188 0.000 0.241 217 D C -0.376 175.880 176.300 -0.074 0.000 1.361 217 D CA -0.420 53.520 54.000 -0.099 0.000 0.995 217 D CB 0.355 41.139 40.800 -0.027 0.000 1.312 217 D HN -0.069 nan 8.370 nan 0.000 0.576 218 H N 1.641 120.495 119.070 -0.360 0.000 2.567 218 H HA 0.031 4.475 4.556 -0.187 0.000 0.276 218 H C 1.147 176.434 175.328 -0.068 0.000 1.016 218 H CA 0.755 56.507 56.048 -0.492 0.000 1.186 218 H CB 0.429 29.933 29.762 -0.431 0.000 1.351 218 H HN 0.399 nan 8.280 nan 0.000 0.605 219 Q N -0.732 119.110 119.800 0.071 0.000 2.451 219 Q HA -0.000 4.227 4.340 -0.188 0.000 0.206 219 Q C 0.608 176.664 176.000 0.095 0.000 0.947 219 Q CA 0.039 55.886 55.803 0.073 0.000 0.937 219 Q CB -0.370 28.380 28.738 0.020 0.000 1.025 219 Q HN 0.297 nan 8.270 nan 0.000 0.511 220 C N 2.349 121.733 119.300 0.141 0.000 2.610 220 C HA 0.114 4.461 4.460 -0.188 0.000 0.382 220 C C 0.841 175.930 174.990 0.166 0.000 1.287 220 C CA 0.012 59.114 59.018 0.140 0.000 1.640 220 C CB -0.846 26.986 27.740 0.152 0.000 2.335 220 C HN 0.349 nan 8.230 nan 0.000 0.577 221 E N 3.384 123.633 120.200 0.082 0.000 2.812 221 E HA 0.248 4.485 4.350 -0.188 0.000 0.211 221 E C -0.795 175.834 176.600 0.049 0.000 0.986 221 E CA 0.002 56.429 56.400 0.045 0.000 1.119 221 E CB 1.097 30.823 29.700 0.043 0.000 1.046 221 E HN 0.541 nan 8.360 nan 0.000 0.474 222 V N 0.498 120.438 119.914 0.044 0.000 2.733 222 V HA 0.580 4.587 4.120 -0.188 0.000 0.306 222 V C 0.061 176.165 176.094 0.018 0.000 1.084 222 V CA -0.969 61.360 62.300 0.050 0.000 0.905 222 V CB 1.978 33.832 31.823 0.053 0.000 1.010 222 V HN 0.209 nan 8.190 nan 0.000 0.424 223 G N 3.518 112.307 108.800 -0.019 0.000 2.448 223 G HA2 0.814 4.661 3.960 -0.188 0.000 0.324 223 G HA3 0.814 4.661 3.960 -0.188 0.000 0.324 223 G C -1.140 173.705 174.900 -0.092 0.000 1.203 223 G CA -0.584 44.489 45.100 -0.045 0.000 0.954 223 G HN 0.592 nan 8.290 nan 0.000 0.480 224 M N 1.460 121.006 119.600 -0.089 0.000 2.470 224 M HA 0.536 4.903 4.480 -0.188 0.000 0.285 224 M C -1.923 174.294 176.300 -0.139 0.000 1.213 224 M CA -0.817 54.405 55.300 -0.131 0.000 0.901 224 M CB 2.418 34.999 32.600 -0.031 0.000 1.718 224 M HN 0.252 nan 8.290 nan 0.000 0.469 225 I N 3.917 124.404 120.570 -0.138 0.000 2.499 225 I HA 0.439 4.496 4.170 -0.188 0.000 0.288 225 I C -0.954 175.112 176.117 -0.085 0.000 1.048 225 I CA -0.645 60.584 61.300 -0.119 0.000 1.062 225 I CB 1.946 39.876 38.000 -0.116 0.000 1.238 225 I HN 0.396 nan 8.210 nan 0.000 0.426 226 V N 5.900 125.745 119.914 -0.114 0.000 2.380 226 V HA 0.672 4.679 4.120 -0.188 0.000 0.268 226 V C 0.488 176.488 176.094 -0.157 0.000 1.008 226 V CA -0.207 62.009 62.300 -0.141 0.000 0.823 226 V CB 0.878 32.552 31.823 -0.249 0.000 1.053 226 V HN 0.989 nan 8.190 nan 0.000 0.446 227 G N 1.778 110.509 108.800 -0.116 0.000 3.377 227 G HA2 0.269 4.117 3.960 -0.188 0.000 0.182 227 G HA3 0.269 4.117 3.960 -0.188 0.000 0.182 227 G C 0.900 175.738 174.900 -0.103 0.000 1.166 227 G CA 0.687 45.721 45.100 -0.111 0.000 0.771 227 G HN 0.272 nan 8.290 nan 0.000 0.701 228 T N 0.522 115.017 114.554 -0.098 0.000 2.759 228 T HA 0.142 4.379 4.350 -0.188 0.000 0.269 228 T C 1.155 175.820 174.700 -0.059 0.000 1.042 228 T CA 1.628 63.666 62.100 -0.103 0.000 1.140 228 T CB -0.393 68.412 68.868 -0.106 0.000 0.864 228 T HN 0.680 nan 8.240 nan 0.000 0.455 229 G N -1.361 107.419 108.800 -0.034 0.000 3.013 229 G HA2 0.517 4.364 3.960 -0.188 0.000 0.278 229 G HA3 0.517 4.364 3.960 -0.188 0.000 0.278 229 G C -1.552 173.375 174.900 0.044 0.000 1.353 229 G CA -0.524 44.603 45.100 0.047 0.000 1.043 229 G HN 0.340 nan 8.290 nan 0.000 0.523 230 C N 0.676 120.054 119.300 0.129 0.000 2.481 230 C HA 0.837 5.184 4.460 -0.188 0.000 0.324 230 C C -0.647 174.540 174.990 0.329 0.000 1.170 230 C CA -0.713 58.431 59.018 0.210 0.000 1.361 230 C CB 0.409 28.292 27.740 0.239 0.000 1.977 230 C HN 0.896 nan 8.230 nan 0.000 0.459 231 N N 2.739 121.477 118.700 0.063 0.000 2.927 231 N HA 0.849 5.477 4.740 -0.188 0.000 0.248 231 N C -1.494 173.522 175.510 -0.823 0.000 1.443 231 N CA 0.182 52.991 53.050 -0.401 0.000 0.870 231 N CB 2.175 40.549 38.487 -0.188 0.000 1.444 231 N HN 1.112 nan 8.380 nan 0.000 0.519 232 A N -0.049 122.083 122.820 -1.148 0.000 2.574 232 A HA 0.704 4.911 4.320 -0.188 0.000 0.297 232 A C -0.833 176.491 177.584 -0.435 0.000 1.062 232 A CA -0.515 50.991 52.037 -0.885 0.000 0.686 232 A CB 0.035 18.122 19.000 -1.522 0.000 1.285 232 A HN 1.191 nan 8.150 nan 0.000 0.403 233 C N -0.134 119.035 119.300 -0.218 0.000 2.889 233 C HA 1.067 5.415 4.460 -0.188 0.000 0.307 233 C C -0.942 174.075 174.990 0.044 0.000 1.251 233 C CA -0.910 58.052 59.018 -0.093 0.000 1.593 233 C CB 0.650 28.306 27.740 -0.140 0.000 2.104 233 C HN 1.825 nan 8.230 nan 0.000 0.476 234 Y N -0.328 119.900 120.300 -0.119 0.000 2.656 234 Y HA 0.738 5.163 4.550 -0.208 0.000 0.334 234 Y C -1.136 174.707 175.900 -0.095 0.000 1.179 234 Y CA -1.761 56.284 58.100 -0.091 0.000 1.050 234 Y CB 0.841 39.264 38.460 -0.061 0.000 1.308 234 Y HN 0.631 nan 8.280 nan 0.000 0.456 235 M N 3.015 122.555 119.600 -0.100 0.000 2.105 235 M HA 0.313 4.680 4.480 -0.188 0.000 0.350 235 M C -0.570 175.651 176.300 -0.132 0.000 1.308 235 M CA -0.093 55.088 55.300 -0.198 0.000 1.108 235 M CB 0.426 32.959 32.600 -0.111 0.000 1.622 235 M HN 0.851 nan 8.290 nan 0.000 0.468 236 E N 2.657 122.673 120.200 -0.307 0.000 2.202 236 E HA 0.313 4.550 4.350 -0.188 0.000 0.272 236 E C -0.725 175.824 176.600 -0.085 0.000 0.951 236 E CA -0.443 55.887 56.400 -0.118 0.000 0.813 236 E CB 1.110 30.667 29.700 -0.239 0.000 1.151 236 E HN 0.359 nan 8.360 nan 0.000 0.398 237 E N 4.046 124.235 120.200 -0.019 0.000 2.414 237 E HA -0.027 4.210 4.350 -0.188 0.000 0.263 237 E C 0.890 177.455 176.600 -0.058 0.000 1.000 237 E CA 0.000 56.380 56.400 -0.033 0.000 0.914 237 E CB 0.439 30.134 29.700 -0.008 0.000 0.948 237 E HN 0.672 nan 8.360 nan 0.000 0.444 238 M N 2.041 121.600 119.600 -0.069 0.000 2.149 238 M HA -0.202 4.165 4.480 -0.188 0.000 0.261 238 M C 1.959 178.222 176.300 -0.061 0.000 1.064 238 M CA 1.623 56.874 55.300 -0.081 0.000 1.102 238 M CB -0.797 31.757 32.600 -0.077 0.000 1.369 238 M HN 0.508 nan 8.290 nan 0.000 0.408 239 Q N -0.542 119.233 119.800 -0.041 0.000 2.297 239 Q HA -0.177 4.050 4.340 -0.188 0.000 0.208 239 Q C 0.928 176.912 176.000 -0.026 0.000 0.981 239 Q CA 1.323 57.109 55.803 -0.029 0.000 0.876 239 Q CB -0.828 27.899 28.738 -0.019 0.000 0.921 239 Q HN 0.483 nan 8.270 nan 0.000 0.446 240 N N 0.541 119.225 118.700 -0.026 0.000 2.424 240 N HA 0.052 4.679 4.740 -0.188 0.000 0.178 240 N C -0.105 175.386 175.510 -0.032 0.000 1.060 240 N CA 0.285 53.326 53.050 -0.014 0.000 0.901 240 N CB 0.592 39.085 38.487 0.011 0.000 0.979 240 N HN 0.034 nan 8.380 nan 0.000 0.451 241 V N 2.545 122.419 119.914 -0.066 0.000 2.223 241 V HA 0.084 4.091 4.120 -0.188 0.000 0.249 241 V C 1.143 177.182 176.094 -0.092 0.000 1.233 241 V CA -0.068 62.172 62.300 -0.100 0.000 1.131 241 V CB 0.021 31.750 31.823 -0.156 0.000 1.298 241 V HN 0.138 nan 8.190 nan 0.000 0.498 242 E N 2.409 122.567 120.200 -0.070 0.000 2.265 242 E HA -0.163 4.074 4.350 -0.188 0.000 0.196 242 E C 1.509 178.063 176.600 -0.077 0.000 0.996 242 E CA 0.698 57.063 56.400 -0.058 0.000 0.832 242 E CB 0.079 29.758 29.700 -0.034 0.000 0.756 242 E HN 0.507 nan 8.360 nan 0.000 0.491 243 L N 0.269 121.420 121.223 -0.121 0.000 2.551 243 L HA -0.027 4.200 4.340 -0.188 0.000 0.228 243 L C 0.213 177.024 176.870 -0.099 0.000 1.153 243 L CA 0.789 55.549 54.840 -0.133 0.000 0.851 243 L CB 0.391 42.315 42.059 -0.225 0.000 0.959 243 L HN -0.146 nan 8.230 nan 0.000 0.451 244 V N -0.492 119.356 119.914 -0.111 0.000 2.488 244 V HA 0.181 4.189 4.120 -0.188 0.000 0.293 244 V C 0.154 176.212 176.094 -0.060 0.000 1.027 244 V CA -1.317 60.927 62.300 -0.093 0.000 0.862 244 V CB 1.774 33.462 31.823 -0.226 0.000 1.008 244 V HN 0.146 nan 8.190 nan 0.000 0.428 245 E N 3.670 123.858 120.200 -0.021 0.000 2.481 245 E HA 0.387 4.624 4.350 -0.188 0.000 0.263 245 E C 0.318 176.904 176.600 -0.023 0.000 0.992 245 E CA 1.121 57.511 56.400 -0.017 0.000 0.938 245 E CB 0.573 30.273 29.700 -0.000 0.000 0.933 245 E HN 1.233 nan 8.360 nan 0.000 0.453 246 G N 3.290 112.075 108.800 -0.025 0.000 2.592 246 G HA2 -0.083 3.765 3.960 -0.188 0.000 0.685 246 G HA3 -0.083 3.765 3.960 -0.188 0.000 0.685 246 G C -0.556 174.323 174.900 -0.035 0.000 1.278 246 G CA -0.197 44.887 45.100 -0.027 0.000 0.822 246 G HN 0.587 nan 8.290 nan 0.000 0.652 247 D N -0.160 120.223 120.400 -0.029 0.000 2.500 247 D HA 0.162 4.689 4.640 -0.188 0.000 0.217 247 D C 0.526 176.808 176.300 -0.030 0.000 1.159 247 D CA 0.092 54.074 54.000 -0.030 0.000 0.828 247 D CB 1.300 42.088 40.800 -0.021 0.000 1.039 247 D HN 0.435 nan 8.370 nan 0.000 0.512 248 E N 1.180 121.362 120.200 -0.030 0.000 2.167 248 E HA 0.471 4.708 4.350 -0.188 0.000 0.284 248 E C 0.704 177.281 176.600 -0.038 0.000 1.016 248 E CA 0.147 56.530 56.400 -0.028 0.000 0.817 248 E CB 0.618 30.306 29.700 -0.020 0.000 1.080 248 E HN 0.213 nan 8.360 nan 0.000 0.397 249 G N 3.744 112.522 108.800 -0.037 0.000 2.632 249 G HA2 -0.222 3.626 3.960 -0.188 0.000 0.224 249 G HA3 -0.222 3.626 3.960 -0.188 0.000 0.224 249 G C -0.653 174.209 174.900 -0.064 0.000 1.341 249 G CA -0.279 44.793 45.100 -0.047 0.000 0.880 249 G HN 0.623 nan 8.290 nan 0.000 0.566 250 R N -1.100 119.350 120.500 -0.085 0.000 2.888 250 R HA 0.808 5.035 4.340 -0.188 0.000 0.266 250 R C 0.007 176.216 176.300 -0.152 0.000 1.020 250 R CA -0.758 55.276 56.100 -0.110 0.000 0.963 250 R CB 2.002 32.240 30.300 -0.102 0.000 1.197 250 R HN 0.811 nan 8.270 nan 0.000 0.481 251 M N 1.088 120.570 119.600 -0.195 0.000 2.378 251 M HA 0.318 4.686 4.480 -0.188 0.000 0.289 251 M C -1.258 174.863 176.300 -0.298 0.000 1.136 251 M CA -0.638 54.518 55.300 -0.239 0.000 0.917 251 M CB 1.915 34.357 32.600 -0.263 0.000 1.669 251 M HN 0.779 nan 8.290 nan 0.000 0.461 252 C N 3.932 123.054 119.300 -0.296 0.000 2.662 252 C HA 0.600 4.947 4.460 -0.188 0.000 0.420 252 C C -0.346 174.424 174.990 -0.366 0.000 1.314 252 C CA -0.013 58.806 59.018 -0.332 0.000 1.963 252 C CB 0.023 27.603 27.740 -0.266 0.000 2.686 252 C HN 0.649 nan 8.230 nan 0.000 0.609 253 V N 6.425 126.063 119.914 -0.461 0.000 2.531 253 V HA 0.318 4.325 4.120 -0.188 0.000 0.301 253 V C -0.214 175.733 176.094 -0.245 0.000 1.034 253 V CA -0.473 61.600 62.300 -0.379 0.000 0.865 253 V CB 1.760 33.282 31.823 -0.502 0.000 0.995 253 V HN 0.875 nan 8.190 nan 0.000 0.424 254 N N 3.012 121.632 118.700 -0.134 0.000 2.469 254 N HA 0.103 4.730 4.740 -0.188 0.000 0.239 254 N C 1.360 176.865 175.510 -0.009 0.000 1.053 254 N CA 0.443 53.448 53.050 -0.075 0.000 0.937 254 N CB 1.528 39.993 38.487 -0.035 0.000 1.163 254 N HN 0.813 nan 8.380 nan 0.000 0.509 255 T N 0.235 114.792 114.554 0.005 0.000 2.788 255 T HA -0.131 4.106 4.350 -0.188 0.000 0.268 255 T C 0.272 175.047 174.700 0.125 0.000 1.044 255 T CA 0.795 62.954 62.100 0.098 0.000 1.139 255 T CB -0.309 68.643 68.868 0.139 0.000 0.867 255 T HN 0.550 nan 8.240 nan 0.000 0.454 256 E N 0.524 120.765 120.200 0.067 0.000 2.360 256 E HA -0.159 4.078 4.350 -0.188 0.000 0.238 256 E C 0.192 176.965 176.600 0.288 0.000 1.186 256 E CA 0.809 57.288 56.400 0.133 0.000 0.719 256 E CB -1.887 27.892 29.700 0.133 0.000 1.236 256 E HN 1.001 nan 8.360 nan 0.000 0.386 257 W N -0.768 120.613 121.300 0.134 0.000 2.848 257 W HA 0.194 4.851 4.660 -0.005 0.000 0.241 257 W C 1.493 178.186 176.519 0.291 0.000 1.289 257 W CA 0.518 57.949 57.345 0.144 0.000 1.396 257 W CB -1.249 28.250 29.460 0.064 0.000 1.138 257 W HN 0.126 nan 8.180 nan 0.000 0.677 258 G N 0.987 110.223 108.800 0.727 0.000 2.471 258 G HA2 -0.042 3.806 3.960 -0.188 0.000 0.219 258 G HA3 -0.042 3.806 3.960 -0.188 0.000 0.219 258 G C 1.611 176.751 174.900 0.399 0.000 1.125 258 G CA 1.044 46.490 45.100 0.577 0.000 0.775 258 G HN 0.460 nan 8.290 nan 0.000 0.548 259 A N -0.110 122.907 122.820 0.329 0.000 2.251 259 A HA 0.460 4.667 4.320 -0.188 0.000 0.209 259 A C 0.632 178.346 177.584 0.217 0.000 1.187 259 A CA -0.692 51.479 52.037 0.224 0.000 0.823 259 A CB -0.338 18.766 19.000 0.174 0.000 0.846 259 A HN 0.256 nan 8.150 nan 0.000 0.486 260 F N 0.970 120.974 119.950 0.091 0.000 2.607 260 F HA 0.381 4.795 4.527 -0.189 0.000 0.374 260 F C 1.348 177.156 175.800 0.013 0.000 1.104 260 F CA 0.994 58.974 58.000 -0.033 0.000 1.296 260 F CB 0.225 39.040 39.000 -0.310 0.000 1.085 260 F HN 0.376 nan 8.300 nan 0.000 0.584 261 G N 4.097 112.524 108.800 -0.621 0.000 2.234 261 G HA2 -0.318 3.529 3.960 -0.188 0.000 0.235 261 G HA3 -0.318 3.529 3.960 -0.188 0.000 0.235 261 G C 0.829 175.615 174.900 -0.190 0.000 0.997 261 G CA 0.278 45.076 45.100 -0.503 0.000 0.623 261 G HN 0.601 nan 8.290 nan 0.000 0.514 262 D N 0.700 121.049 120.400 -0.084 0.000 2.384 262 D HA 0.173 4.700 4.640 -0.188 0.000 0.222 262 D C 1.964 178.246 176.300 -0.030 0.000 0.976 262 D CA 1.332 55.315 54.000 -0.028 0.000 0.915 262 D CB 0.055 40.867 40.800 0.020 0.000 0.896 262 D HN 0.378 nan 8.370 nan 0.000 0.523 263 S N -1.449 114.223 115.700 -0.047 0.000 2.593 263 S HA 0.376 4.733 4.470 -0.188 0.000 0.236 263 S C 1.413 175.984 174.600 -0.049 0.000 0.991 263 S CA 0.260 58.442 58.200 -0.030 0.000 0.963 263 S CB 1.042 64.239 63.200 -0.006 0.000 0.865 263 S HN 0.370 nan 8.310 nan 0.000 0.488 264 G N 1.802 110.554 108.800 -0.080 0.000 2.176 264 G HA2 -0.245 3.602 3.960 -0.188 0.000 0.232 264 G HA3 -0.245 3.602 3.960 -0.188 0.000 0.232 264 G C 0.483 175.317 174.900 -0.109 0.000 0.986 264 G CA 0.352 45.402 45.100 -0.084 0.000 0.643 264 G HN 0.515 nan 8.290 nan 0.000 0.522 265 E N -0.046 120.059 120.200 -0.159 0.000 2.331 265 E HA 0.091 4.329 4.350 -0.188 0.000 0.199 265 E C 2.210 178.716 176.600 -0.157 0.000 1.008 265 E CA 1.053 57.353 56.400 -0.166 0.000 0.843 265 E CB -0.080 29.471 29.700 -0.249 0.000 0.761 265 E HN 0.616 nan 8.360 nan 0.000 0.507 266 L N 0.285 121.396 121.223 -0.187 0.000 2.766 266 L HA 0.106 4.333 4.340 -0.188 0.000 0.242 266 L C 0.728 177.606 176.870 0.013 0.000 1.136 266 L CA -0.187 54.661 54.840 0.015 0.000 0.933 266 L CB 0.269 42.297 42.059 -0.051 0.000 1.241 266 L HN -0.029 nan 8.230 nan 0.000 0.522 267 D N 1.573 121.926 120.400 -0.079 0.000 2.191 267 D HA -0.278 4.249 4.640 -0.188 0.000 0.195 267 D C 1.867 178.072 176.300 -0.158 0.000 1.003 267 D CA 1.831 55.772 54.000 -0.100 0.000 0.867 267 D CB 0.119 40.860 40.800 -0.100 0.000 0.926 267 D HN 0.578 nan 8.370 nan 0.000 0.450 268 E N -0.722 119.297 120.200 -0.302 0.000 2.482 268 E HA -0.108 4.129 4.350 -0.188 0.000 0.196 268 E C 1.142 177.430 176.600 -0.521 0.000 1.047 268 E CA 0.519 56.648 56.400 -0.452 0.000 0.869 268 E CB -0.210 29.124 29.700 -0.610 0.000 0.836 268 E HN 0.243 nan 8.360 nan 0.000 0.520 269 F N 1.118 121.044 119.950 -0.041 0.000 2.678 269 F HA 0.293 4.709 4.527 -0.186 0.000 0.291 269 F C 0.886 176.656 175.800 -0.050 0.000 1.123 269 F CA -0.372 57.609 58.000 -0.031 0.000 1.395 269 F CB 0.158 39.157 39.000 -0.001 0.000 1.121 269 F HN -0.117 nan 8.300 nan 0.000 0.592 270 L N 2.501 123.772 121.223 0.080 0.000 2.499 270 L HA 0.050 4.277 4.340 -0.188 0.000 0.273 270 L C 0.028 176.872 176.870 -0.044 0.000 1.195 270 L CA 0.191 55.042 54.840 0.018 0.000 0.882 270 L CB 0.069 42.122 42.059 -0.011 0.000 1.133 270 L HN 0.031 nan 8.230 nan 0.000 0.483 271 L N 2.429 123.612 121.223 -0.067 0.000 2.365 271 L HA 0.214 4.441 4.340 -0.188 0.000 0.267 271 L C 1.464 178.223 176.870 -0.184 0.000 1.033 271 L CA -0.664 54.083 54.840 -0.155 0.000 0.802 271 L CB 1.383 43.315 42.059 -0.211 0.000 1.267 271 L HN 0.657 nan 8.230 nan 0.000 0.457 272 E N -0.047 119.950 120.200 -0.338 0.000 2.118 272 E HA -0.277 3.960 4.350 -0.188 0.000 0.195 272 E C 1.548 177.990 176.600 -0.263 0.000 0.992 272 E CA 1.789 57.991 56.400 -0.330 0.000 0.804 272 E CB -0.378 29.065 29.700 -0.429 0.000 0.741 272 E HN 0.581 nan 8.360 nan 0.000 0.458 273 Y N 2.082 122.376 120.300 -0.009 0.000 2.207 273 Y HA -0.172 4.264 4.550 -0.189 0.000 0.287 273 Y C 2.042 177.969 175.900 0.044 0.000 1.156 273 Y CA 1.397 59.524 58.100 0.046 0.000 1.182 273 Y CB -0.491 38.041 38.460 0.121 0.000 0.979 273 Y HN 0.081 nan 8.280 nan 0.000 0.521 274 D N -0.001 120.483 120.400 0.140 0.000 2.117 274 D HA -0.103 4.424 4.640 -0.188 0.000 0.198 274 D C 2.119 178.437 176.300 0.031 0.000 0.982 274 D CA 1.022 55.072 54.000 0.083 0.000 0.828 274 D CB -0.236 40.594 40.800 0.050 0.000 0.967 274 D HN 0.402 nan 8.370 nan 0.000 0.464 275 R N 0.450 120.950 120.500 -0.000 0.000 2.075 275 R HA -0.007 4.221 4.340 -0.188 0.000 0.232 275 R C 2.660 178.965 176.300 0.010 0.000 1.126 275 R CA 0.575 56.667 56.100 -0.012 0.000 0.963 275 R CB -0.390 29.888 30.300 -0.037 0.000 0.858 275 R HN 0.179 nan 8.270 nan 0.000 0.435 276 L N 0.294 121.531 121.223 0.024 0.000 2.042 276 L HA -0.193 4.035 4.340 -0.188 0.000 0.210 276 L C 2.432 179.345 176.870 0.072 0.000 1.076 276 L CA 1.093 55.962 54.840 0.049 0.000 0.749 276 L CB -0.524 41.577 42.059 0.070 0.000 0.893 276 L HN 0.050 nan 8.230 nan 0.000 0.432 277 V N 0.038 120.008 119.914 0.092 0.000 2.343 277 V HA -0.317 3.691 4.120 -0.188 0.000 0.247 277 V C 2.206 178.344 176.094 0.073 0.000 1.051 277 V CA 2.181 64.547 62.300 0.111 0.000 1.036 277 V CB -0.401 31.501 31.823 0.132 0.000 0.654 277 V HN 0.506 nan 8.190 nan 0.000 0.451 278 D N -0.175 120.239 120.400 0.023 0.000 2.084 278 D HA -0.184 4.343 4.640 -0.188 0.000 0.196 278 D C 2.103 178.419 176.300 0.027 0.000 0.985 278 D CA 1.421 55.419 54.000 -0.002 0.000 0.826 278 D CB -0.067 40.719 40.800 -0.023 0.000 0.978 278 D HN 0.376 nan 8.370 nan 0.000 0.456 279 E N -0.385 119.831 120.200 0.026 0.000 2.097 279 E HA -0.104 4.133 4.350 -0.188 0.000 0.196 279 E C 1.833 178.459 176.600 0.042 0.000 1.000 279 E CA 1.357 57.775 56.400 0.028 0.000 0.804 279 E CB -0.155 29.559 29.700 0.022 0.000 0.740 279 E HN 0.102 nan 8.360 nan 0.000 0.454 280 S N -0.197 115.537 115.700 0.057 0.000 2.575 280 S HA 0.076 4.433 4.470 -0.188 0.000 0.215 280 S C 0.440 175.091 174.600 0.084 0.000 0.966 280 S CA 0.157 58.397 58.200 0.066 0.000 0.911 280 S CB 0.097 63.339 63.200 0.070 0.000 0.780 280 S HN 0.317 nan 8.310 nan 0.000 0.514 281 S N 1.315 117.074 115.700 0.099 0.000 2.634 281 S HA 0.591 4.949 4.470 -0.188 0.000 0.261 281 S C 1.166 175.832 174.600 0.110 0.000 1.271 281 S CA -0.228 58.055 58.200 0.139 0.000 0.985 281 S CB 0.970 64.273 63.200 0.172 0.000 0.968 281 S HN 0.213 nan 8.310 nan 0.000 0.568 282 A N 0.621 123.518 122.820 0.128 0.000 2.238 282 A HA 0.147 4.354 4.320 -0.188 0.000 0.208 282 A C 0.775 178.422 177.584 0.105 0.000 1.177 282 A CA 0.395 52.491 52.037 0.099 0.000 0.804 282 A CB -0.912 18.143 19.000 0.092 0.000 0.823 282 A HN 0.914 nan 8.150 nan 0.000 0.482 283 N N -1.307 117.462 118.700 0.115 0.000 2.687 283 N HA 0.247 4.875 4.740 -0.188 0.000 0.275 283 N C -3.586 171.968 175.510 0.073 0.000 1.789 283 N CA -1.781 51.331 53.050 0.104 0.000 0.806 283 N CB -0.254 38.317 38.487 0.139 0.000 1.256 283 N HN -0.141 nan 8.380 nan 0.000 0.500 284 P HA 0.173 nan 4.420 nan 0.000 0.262 284 P C 1.130 178.446 177.300 0.027 0.000 1.182 284 P CA 1.345 64.466 63.100 0.035 0.000 0.761 284 P CB 0.451 32.170 31.700 0.032 0.000 0.795 285 G N 1.714 110.521 108.800 0.012 0.000 2.179 285 G HA2 -0.253 3.594 3.960 -0.188 0.000 0.260 285 G HA3 -0.253 3.594 3.960 -0.188 0.000 0.260 285 G C 0.014 174.923 174.900 0.015 0.000 0.977 285 G CA -0.150 44.954 45.100 0.007 0.000 0.641 285 G HN 0.575 nan 8.290 nan 0.000 0.533 286 Q N -0.785 119.032 119.800 0.028 0.000 2.297 286 Q HA 0.643 4.870 4.340 -0.188 0.000 0.268 286 Q C 0.251 176.277 176.000 0.044 0.000 1.045 286 Q CA -0.921 54.911 55.803 0.049 0.000 0.861 286 Q CB 1.081 29.865 28.738 0.077 0.000 1.344 286 Q HN 0.189 nan 8.270 nan 0.000 0.452 287 Q N 0.772 120.619 119.800 0.078 0.000 2.453 287 Q HA -0.229 3.998 4.340 -0.188 0.000 0.294 287 Q C 0.372 176.391 176.000 0.032 0.000 1.295 287 Q CA 0.532 56.393 55.803 0.097 0.000 0.853 287 Q CB -1.829 26.977 28.738 0.113 0.000 1.193 287 Q HN 0.793 nan 8.270 nan 0.000 0.461 288 L N -1.580 119.662 121.223 0.032 0.000 2.093 288 L HA -0.175 4.052 4.340 -0.188 0.000 0.208 288 L C 2.071 178.973 176.870 0.052 0.000 1.085 288 L CA 1.664 56.501 54.840 -0.006 0.000 0.755 288 L CB -0.498 41.547 42.059 -0.024 0.000 0.904 288 L HN 0.368 nan 8.230 nan 0.000 0.435 289 Y N 1.262 121.553 120.300 -0.014 0.000 2.200 289 Y HA -0.264 4.163 4.550 -0.205 0.000 0.290 289 Y C 2.616 178.543 175.900 0.045 0.000 1.137 289 Y CA 1.842 59.959 58.100 0.027 0.000 1.163 289 Y CB -0.173 38.366 38.460 0.131 0.000 0.988 289 Y HN 0.233 nan 8.280 nan 0.000 0.518 290 E N 0.288 120.553 120.200 0.108 0.000 2.153 290 E HA -0.217 4.020 4.350 -0.188 0.000 0.194 290 E C 1.778 178.358 176.600 -0.033 0.000 0.988 290 E CA 1.332 57.762 56.400 0.049 0.000 0.811 290 E CB -0.122 29.690 29.700 0.186 0.000 0.746 290 E HN 0.453 nan 8.360 nan 0.000 0.466 291 K N -0.077 120.208 120.400 -0.191 0.000 2.439 291 K HA 0.004 4.211 4.320 -0.188 0.000 0.197 291 K C 1.658 178.192 176.600 -0.109 0.000 1.041 291 K CA 0.420 56.454 56.287 -0.422 0.000 0.970 291 K CB 0.175 32.326 32.500 -0.582 0.000 0.773 291 K HN 0.252 nan 8.250 nan 0.000 0.479 292 L N -0.072 121.109 121.223 -0.070 0.000 2.529 292 L HA 0.096 4.323 4.340 -0.188 0.000 0.223 292 L C 1.597 178.455 176.870 -0.019 0.000 1.113 292 L CA 0.493 55.323 54.840 -0.016 0.000 0.861 292 L CB 0.122 42.162 42.059 -0.031 0.000 1.012 292 L HN 0.136 nan 8.230 nan 0.000 0.461 293 I N -1.474 119.065 120.570 -0.052 0.000 3.873 293 I HA 0.177 4.235 4.170 -0.188 0.000 0.284 293 I C 1.460 177.577 176.117 -0.001 0.000 1.186 293 I CA -0.035 61.240 61.300 -0.042 0.000 1.362 293 I CB -0.229 37.681 38.000 -0.150 0.000 1.432 293 I HN 0.050 nan 8.210 nan 0.000 0.454 294 G N 0.742 109.589 108.800 0.077 0.000 2.391 294 G HA2 0.148 3.996 3.960 -0.188 0.000 0.234 294 G HA3 0.148 3.996 3.960 -0.188 0.000 0.234 294 G C 1.067 175.983 174.900 0.027 0.000 1.284 294 G CA 0.371 45.525 45.100 0.090 0.000 0.873 294 G HN 0.431 nan 8.290 nan 0.000 0.549 295 G N 0.871 109.627 108.800 -0.073 0.000 2.559 295 G HA2 -0.166 3.682 3.960 -0.188 0.000 0.216 295 G HA3 -0.166 3.682 3.960 -0.188 0.000 0.216 295 G C 1.626 176.430 174.900 -0.160 0.000 1.126 295 G CA 1.032 46.070 45.100 -0.104 0.000 0.778 295 G HN 0.674 nan 8.290 nan 0.000 0.543 296 K N -0.089 120.147 120.400 -0.274 0.000 2.211 296 K HA -0.015 4.193 4.320 -0.188 0.000 0.203 296 K C 1.363 177.539 176.600 -0.706 0.000 1.050 296 K CA 1.041 56.985 56.287 -0.572 0.000 0.945 296 K CB -0.256 31.708 32.500 -0.893 0.000 0.732 296 K HN 0.456 nan 8.250 nan 0.000 0.451 297 Y N -1.494 118.811 120.300 0.009 0.000 2.430 297 Y HA 0.287 4.719 4.550 -0.196 0.000 0.254 297 Y C 1.859 177.773 175.900 0.023 0.000 1.088 297 Y CA -0.090 58.025 58.100 0.025 0.000 1.267 297 Y CB -0.213 38.269 38.460 0.036 0.000 1.204 297 Y HN -0.079 nan 8.280 nan 0.000 0.515 298 M N 0.545 120.207 119.600 0.104 0.000 2.073 298 M HA -0.161 4.206 4.480 -0.188 0.000 0.258 298 M C 2.342 178.680 176.300 0.062 0.000 1.070 298 M CA 2.396 57.734 55.300 0.064 0.000 1.103 298 M CB -0.494 32.116 32.600 0.017 0.000 1.321 298 M HN 0.448 nan 8.290 nan 0.000 0.405 299 G N -0.686 108.165 108.800 0.085 0.000 2.442 299 G HA2 -0.292 3.555 3.960 -0.188 0.000 0.219 299 G HA3 -0.292 3.555 3.960 -0.188 0.000 0.219 299 G C 1.216 176.205 174.900 0.149 0.000 1.141 299 G CA 1.366 46.578 45.100 0.187 0.000 0.763 299 G HN 0.535 nan 8.290 nan 0.000 0.554 300 E N 0.374 120.643 120.200 0.115 0.000 2.106 300 E HA -0.010 4.228 4.350 -0.188 0.000 0.192 300 E C 2.491 179.146 176.600 0.090 0.000 0.984 300 E CA 0.600 57.071 56.400 0.119 0.000 0.806 300 E CB -0.417 29.365 29.700 0.137 0.000 0.750 300 E HN 0.448 nan 8.360 nan 0.000 0.458 301 L N -0.575 120.700 121.223 0.085 0.000 2.046 301 L HA -0.165 4.062 4.340 -0.188 0.000 0.208 301 L C 2.381 179.196 176.870 -0.091 0.000 1.077 301 L CA 0.986 55.863 54.840 0.062 0.000 0.747 301 L CB -0.369 41.745 42.059 0.092 0.000 0.896 301 L HN 0.101 nan 8.230 nan 0.000 0.432 302 V N -0.351 119.458 119.914 -0.175 0.000 2.407 302 V HA -0.278 3.730 4.120 -0.188 0.000 0.248 302 V C 2.619 178.480 176.094 -0.389 0.000 1.055 302 V CA 1.672 63.754 62.300 -0.364 0.000 1.049 302 V CB -0.665 30.858 31.823 -0.500 0.000 0.662 302 V HN 0.437 nan 8.190 nan 0.000 0.455 303 R N -0.393 119.954 120.500 -0.255 0.000 2.081 303 R HA -0.140 4.087 4.340 -0.188 0.000 0.235 303 R C 2.181 178.467 176.300 -0.023 0.000 1.131 303 R CA 1.419 57.455 56.100 -0.107 0.000 0.960 303 R CB -0.179 30.178 30.300 0.095 0.000 0.856 303 R HN 0.311 nan 8.270 nan 0.000 0.436 304 L N 0.281 121.515 121.223 0.018 0.000 2.141 304 L HA -0.101 4.126 4.340 -0.188 0.000 0.209 304 L C 2.284 179.193 176.870 0.064 0.000 1.094 304 L CA 1.137 56.046 54.840 0.116 0.000 0.763 304 L CB -0.737 41.474 42.059 0.253 0.000 0.908 304 L HN 0.063 nan 8.230 nan 0.000 0.437 305 V N -0.611 119.184 119.914 -0.199 0.000 2.358 305 V HA -0.236 3.771 4.120 -0.188 0.000 0.246 305 V C 2.486 178.503 176.094 -0.127 0.000 1.047 305 V CA 1.150 63.245 62.300 -0.341 0.000 1.035 305 V CB -0.304 31.230 31.823 -0.481 0.000 0.658 305 V HN 0.316 nan 8.190 nan 0.000 0.452 306 L N -0.960 120.187 121.223 -0.127 0.000 2.093 306 L HA -0.166 4.061 4.340 -0.188 0.000 0.208 306 L C 2.420 179.311 176.870 0.035 0.000 1.085 306 L CA 1.034 55.837 54.840 -0.063 0.000 0.755 306 L CB -0.599 41.441 42.059 -0.031 0.000 0.904 306 L HN 0.303 nan 8.230 nan 0.000 0.435 307 L N -0.054 121.213 121.223 0.072 0.000 2.093 307 L HA -0.169 4.059 4.340 -0.188 0.000 0.208 307 L C 2.704 179.638 176.870 0.107 0.000 1.085 307 L CA 1.509 56.415 54.840 0.110 0.000 0.755 307 L CB -0.835 41.293 42.059 0.115 0.000 0.904 307 L HN 0.189 nan 8.230 nan 0.000 0.435 308 R N -0.538 120.039 120.500 0.128 0.000 2.073 308 R HA -0.143 4.084 4.340 -0.188 0.000 0.234 308 R C 2.050 178.405 176.300 0.090 0.000 1.134 308 R CA 1.497 57.688 56.100 0.150 0.000 0.952 308 R CB -0.732 29.739 30.300 0.284 0.000 0.850 308 R HN 0.121 nan 8.270 nan 0.000 0.433 309 L N 0.485 121.737 121.223 0.048 0.000 2.046 309 L HA -0.111 4.116 4.340 -0.188 0.000 0.208 309 L C 2.478 179.351 176.870 0.004 0.000 1.077 309 L CA 1.918 56.757 54.840 -0.001 0.000 0.747 309 L CB -1.141 40.873 42.059 -0.075 0.000 0.896 309 L HN 0.339 nan 8.230 nan 0.000 0.432 310 V N -1.802 118.131 119.914 0.031 0.000 2.548 310 V HA -0.177 3.830 4.120 -0.188 0.000 0.249 310 V C 1.993 178.134 176.094 0.079 0.000 1.055 310 V CA 1.811 64.156 62.300 0.074 0.000 1.065 310 V CB -0.514 31.413 31.823 0.173 0.000 0.681 310 V HN 0.322 nan 8.190 nan 0.000 0.462 311 D N 0.445 120.890 120.400 0.075 0.000 2.218 311 D HA -0.089 4.439 4.640 -0.188 0.000 0.204 311 D C 1.998 178.330 176.300 0.054 0.000 0.976 311 D CA 1.267 55.306 54.000 0.064 0.000 0.853 311 D CB -0.146 40.692 40.800 0.064 0.000 0.939 311 D HN 0.578 nan 8.370 nan 0.000 0.481 312 E N 0.328 120.559 120.200 0.051 0.000 2.465 312 E HA -0.011 4.226 4.350 -0.188 0.000 0.191 312 E C 0.141 176.767 176.600 0.043 0.000 1.053 312 E CA -0.131 56.294 56.400 0.042 0.000 0.869 312 E CB -0.109 29.614 29.700 0.038 0.000 0.977 312 E HN 0.108 nan 8.360 nan 0.000 0.483 313 N N 0.373 119.106 118.700 0.056 0.000 2.754 313 N HA -0.198 4.429 4.740 -0.188 0.000 0.248 313 N C -0.071 175.471 175.510 0.053 0.000 1.093 313 N CA 0.362 53.459 53.050 0.079 0.000 0.699 313 N CB -1.406 37.135 38.487 0.091 0.000 1.016 313 N HN 0.221 nan 8.380 nan 0.000 0.552 314 L N -1.386 119.845 121.223 0.013 0.000 2.766 314 L HA 0.373 4.600 4.340 -0.188 0.000 0.242 314 L C 0.524 177.339 176.870 -0.092 0.000 1.136 314 L CA 0.087 54.909 54.840 -0.029 0.000 0.933 314 L CB 0.358 42.400 42.059 -0.029 0.000 1.241 314 L HN 0.199 nan 8.230 nan 0.000 0.522 315 L N -0.422 120.734 121.223 -0.110 0.000 2.472 315 L HA 0.306 4.534 4.340 -0.188 0.000 0.260 315 L C -0.802 175.968 176.870 -0.167 0.000 0.963 315 L CA -0.623 54.026 54.840 -0.319 0.000 0.829 315 L CB 2.091 43.819 42.059 -0.551 0.000 1.348 315 L HN -0.001 nan 8.230 nan 0.000 0.408 316 F N 3.628 123.616 119.950 0.064 0.000 3.100 316 F HA -0.234 4.180 4.527 -0.189 0.000 0.283 316 F C 1.115 177.005 175.800 0.151 0.000 0.900 316 F CA 1.269 59.320 58.000 0.086 0.000 1.010 316 F CB -2.806 36.233 39.000 0.064 0.000 1.029 316 F HN 0.861 nan 8.300 nan 0.000 0.637 317 H N -0.462 118.688 119.070 0.133 0.000 2.690 317 H HA -0.118 4.325 4.556 -0.188 0.000 0.309 317 H C 1.519 176.901 175.328 0.090 0.000 1.138 317 H CA 1.339 57.440 56.048 0.088 0.000 1.142 317 H CB -1.085 28.727 29.762 0.083 0.000 1.410 317 H HN 1.404 nan 8.280 nan 0.000 0.409 318 G N 0.006 108.941 108.800 0.224 0.000 2.168 318 G HA2 -0.317 3.530 3.960 -0.188 0.000 0.263 318 G HA3 -0.317 3.530 3.960 -0.188 0.000 0.263 318 G C 0.070 175.043 174.900 0.122 0.000 0.977 318 G CA 0.757 45.942 45.100 0.142 0.000 0.659 318 G HN 0.740 nan 8.290 nan 0.000 0.533 319 E N 0.404 120.700 120.200 0.159 0.000 2.185 319 E HA 0.749 4.986 4.350 -0.188 0.000 0.261 319 E C 0.289 176.966 176.600 0.127 0.000 0.879 319 E CA 0.216 56.680 56.400 0.107 0.000 0.756 319 E CB 0.901 30.634 29.700 0.054 0.000 1.152 319 E HN 0.833 nan 8.360 nan 0.000 0.416 320 A N 3.138 126.018 122.820 0.100 0.000 2.252 320 A HA 0.727 4.934 4.320 -0.188 0.000 0.305 320 A C 0.027 177.603 177.584 -0.013 0.000 1.097 320 A CA -0.188 51.888 52.037 0.065 0.000 0.849 320 A CB 0.657 19.722 19.000 0.109 0.000 1.142 320 A HN 0.761 nan 8.150 nan 0.000 0.499 321 S N -0.889 114.776 115.700 -0.058 0.000 2.730 321 S HA 0.390 4.747 4.470 -0.188 0.000 0.284 321 S C 0.754 175.344 174.600 -0.017 0.000 1.153 321 S CA 0.235 58.400 58.200 -0.059 0.000 0.995 321 S CB 1.231 64.367 63.200 -0.107 0.000 1.058 321 S HN 0.741 nan 8.310 nan 0.000 0.552 322 E N 0.622 120.812 120.200 -0.016 0.000 2.031 322 E HA -0.175 4.063 4.350 -0.188 0.000 0.193 322 E C 2.085 178.692 176.600 0.011 0.000 0.994 322 E CA 1.844 58.244 56.400 0.000 0.000 0.800 322 E CB -0.505 29.192 29.700 -0.005 0.000 0.752 322 E HN 0.752 nan 8.360 nan 0.000 0.447 323 Q N -0.510 119.290 119.800 -0.000 0.000 2.061 323 Q HA -0.181 4.046 4.340 -0.188 0.000 0.204 323 Q C 2.222 178.253 176.000 0.052 0.000 0.984 323 Q CA 1.603 57.416 55.803 0.017 0.000 0.846 323 Q CB -0.302 28.433 28.738 -0.006 0.000 0.902 323 Q HN 0.286 nan 8.270 nan 0.000 0.421 324 L N 0.845 122.097 121.223 0.049 0.000 2.127 324 L HA -0.170 4.057 4.340 -0.188 0.000 0.211 324 L C 1.497 178.432 176.870 0.109 0.000 1.089 324 L CA 1.709 56.613 54.840 0.107 0.000 0.757 324 L CB -0.062 42.051 42.059 0.089 0.000 0.899 324 L HN 0.046 nan 8.230 nan 0.000 0.434 325 R N -0.784 119.761 120.500 0.074 0.000 2.335 325 R HA 0.110 4.337 4.340 -0.188 0.000 0.223 325 R C 0.224 176.563 176.300 0.066 0.000 0.940 325 R CA 0.588 56.731 56.100 0.072 0.000 1.086 325 R CB -0.616 29.717 30.300 0.056 0.000 1.073 325 R HN 0.450 nan 8.270 nan 0.000 0.504 326 T N -1.489 113.107 114.554 0.069 0.000 2.797 326 T HA 0.336 4.574 4.350 -0.188 0.000 0.279 326 T C 0.175 174.919 174.700 0.074 0.000 0.991 326 T CA -0.966 61.170 62.100 0.060 0.000 0.979 326 T CB 1.737 70.632 68.868 0.045 0.000 0.943 326 T HN 0.018 nan 8.240 nan 0.000 0.444 327 R N 1.783 122.323 120.500 0.067 0.000 2.640 327 R HA 0.351 4.579 4.340 -0.188 0.000 0.270 327 R C 1.625 177.963 176.300 0.063 0.000 1.024 327 R CA 1.105 57.249 56.100 0.073 0.000 1.085 327 R CB -0.102 30.237 30.300 0.065 0.000 0.963 327 R HN 1.211 nan 8.270 nan 0.000 0.426 328 G N 1.156 109.998 108.800 0.070 0.000 2.205 328 G HA2 -0.403 3.444 3.960 -0.188 0.000 0.261 328 G HA3 -0.403 3.444 3.960 -0.188 0.000 0.261 328 G C 0.931 175.852 174.900 0.035 0.000 0.980 328 G CA 0.432 45.554 45.100 0.038 0.000 0.632 328 G HN 0.727 nan 8.290 nan 0.000 0.533 329 A N -0.714 122.157 122.820 0.085 0.000 2.015 329 A HA 0.445 4.653 4.320 -0.188 0.000 0.219 329 A C 0.990 178.668 177.584 0.158 0.000 1.163 329 A CA 1.369 53.469 52.037 0.105 0.000 0.646 329 A CB -0.122 18.951 19.000 0.121 0.000 0.806 329 A HN 1.006 nan 8.150 nan 0.000 0.448 330 F N 2.119 122.125 119.950 0.093 0.000 2.309 330 F HA 0.299 4.712 4.527 -0.190 0.000 0.366 330 F C 0.178 175.939 175.800 -0.065 0.000 1.104 330 F CA -1.111 56.989 58.000 0.166 0.000 1.179 330 F CB 0.234 39.328 39.000 0.156 0.000 1.437 330 F HN 0.224 nan 8.300 nan 0.000 0.528 331 E N 2.233 122.114 120.200 -0.533 0.000 2.404 331 E HA 0.022 4.259 4.350 -0.188 0.000 0.261 331 E C 1.042 177.480 176.600 -0.269 0.000 1.074 331 E CA -0.005 56.044 56.400 -0.586 0.000 0.917 331 E CB 0.795 29.822 29.700 -1.121 0.000 0.965 331 E HN 0.496 nan 8.360 nan 0.000 0.433 332 T N 1.510 115.981 114.554 -0.139 0.000 2.881 332 T HA -0.165 4.073 4.350 -0.188 0.000 0.270 332 T C 1.734 176.427 174.700 -0.012 0.000 1.068 332 T CA 1.110 63.205 62.100 -0.008 0.000 1.131 332 T CB -0.085 68.760 68.868 -0.037 0.000 0.871 332 T HN 0.407 nan 8.240 nan 0.000 0.479 333 R N -0.044 120.369 120.500 -0.146 0.000 2.127 333 R HA -0.094 4.133 4.340 -0.188 0.000 0.238 333 R C 1.761 178.116 176.300 0.091 0.000 1.134 333 R CA 1.373 57.428 56.100 -0.075 0.000 0.975 333 R CB -0.281 29.930 30.300 -0.149 0.000 0.865 333 R HN 0.299 nan 8.270 nan 0.000 0.447 334 F N -0.164 119.734 119.950 -0.086 0.000 2.186 334 F HA -0.086 4.330 4.527 -0.185 0.000 0.299 334 F C 2.280 178.118 175.800 0.064 0.000 1.090 334 F CA 0.414 58.325 58.000 -0.149 0.000 1.307 334 F CB -0.974 37.674 39.000 -0.587 0.000 1.019 334 F HN -0.155 nan 8.300 nan 0.000 0.489 335 V N -0.616 119.538 119.914 0.400 0.000 2.295 335 V HA -0.282 3.725 4.120 -0.188 0.000 0.246 335 V C 2.407 178.597 176.094 0.160 0.000 1.049 335 V CA 2.100 64.610 62.300 0.351 0.000 1.024 335 V CB -1.176 30.827 31.823 0.301 0.000 0.648 335 V HN 0.276 nan 8.190 nan 0.000 0.447 336 S N -0.793 114.950 115.700 0.072 0.000 2.370 336 S HA -0.319 4.038 4.470 -0.188 0.000 0.226 336 S C 2.021 176.548 174.600 -0.123 0.000 1.033 336 S CA 2.004 60.096 58.200 -0.179 0.000 1.011 336 S CB -0.355 62.782 63.200 -0.105 0.000 0.852 336 S HN 0.703 nan 8.310 nan 0.000 0.457 337 Q N 0.651 120.449 119.800 -0.004 0.000 2.079 337 Q HA -0.087 4.140 4.340 -0.188 0.000 0.200 337 Q C 2.076 178.076 176.000 -0.001 0.000 0.974 337 Q CA 1.244 57.045 55.803 -0.003 0.000 0.840 337 Q CB -0.138 28.615 28.738 0.026 0.000 0.898 337 Q HN 0.354 nan 8.270 nan 0.000 0.430 338 V N 1.428 121.369 119.914 0.044 0.000 2.287 338 V HA -0.259 3.749 4.120 -0.188 0.000 0.248 338 V C 1.742 177.845 176.094 0.015 0.000 1.053 338 V CA 2.181 64.515 62.300 0.056 0.000 1.027 338 V CB -0.438 31.465 31.823 0.133 0.000 0.646 338 V HN 0.422 nan 8.190 nan 0.000 0.447 339 E N 0.127 120.313 120.200 -0.024 0.000 2.516 339 E HA -0.085 4.152 4.350 -0.188 0.000 0.199 339 E C 2.010 178.565 176.600 -0.074 0.000 1.069 339 E CA 0.944 57.312 56.400 -0.054 0.000 0.876 339 E CB -0.055 29.592 29.700 -0.087 0.000 0.843 339 E HN 0.749 nan 8.360 nan 0.000 0.530 340 S N 0.000 115.657 115.700 -0.072 0.000 2.548 340 S HA -0.036 4.321 4.470 -0.188 0.000 0.215 340 S C 0.655 175.238 174.600 -0.028 0.000 0.976 340 S CA -0.396 57.770 58.200 -0.058 0.000 0.908 340 S CB 0.137 63.300 63.200 -0.061 0.000 0.781 340 S HN 0.082 nan 8.310 nan 0.000 0.519 341 D N 2.612 123.003 120.400 -0.015 0.000 2.525 341 D HA -0.045 4.482 4.640 -0.188 0.000 0.235 341 D C 1.194 177.492 176.300 -0.004 0.000 1.137 341 D CA 1.136 55.135 54.000 -0.002 0.000 0.868 341 D CB 1.274 42.080 40.800 0.010 0.000 1.180 341 D HN 0.486 nan 8.370 nan 0.000 0.465 342 T N 0.939 115.491 114.554 -0.003 0.000 3.023 342 T HA 0.192 4.429 4.350 -0.188 0.000 0.266 342 T C 1.386 176.085 174.700 -0.002 0.000 1.093 342 T CA 0.695 62.793 62.100 -0.004 0.000 1.129 342 T CB 0.373 69.239 68.868 -0.004 0.000 0.899 342 T HN 0.639 nan 8.240 nan 0.000 0.491 343 G N 1.838 110.639 108.800 0.001 0.000 2.613 343 G HA2 -0.132 3.716 3.960 -0.188 0.000 0.199 343 G HA3 -0.132 3.716 3.960 -0.188 0.000 0.199 343 G C 0.413 175.313 174.900 0.001 0.000 0.991 343 G CA 0.368 45.468 45.100 0.001 0.000 0.756 343 G HN 0.611 nan 8.290 nan 0.000 0.515 344 D N 0.096 120.497 120.400 0.000 0.000 2.349 344 D HA 0.288 4.816 4.640 -0.188 0.000 0.214 344 D C 1.451 177.752 176.300 0.001 0.000 1.063 344 D CA -0.140 53.857 54.000 -0.005 0.000 0.847 344 D CB -0.039 40.755 40.800 -0.010 0.000 0.933 344 D HN 0.291 nan 8.370 nan 0.000 0.513 345 R N -0.674 119.837 120.500 0.018 0.000 3.977 345 R HA -0.207 4.020 4.340 -0.188 0.000 0.428 345 R C 1.237 177.580 176.300 0.072 0.000 1.079 345 R CA 1.465 57.593 56.100 0.046 0.000 1.269 345 R CB -2.266 28.064 30.300 0.051 0.000 1.856 345 R HN 0.269 nan 8.270 nan 0.000 0.551 346 K N 0.275 120.701 120.400 0.043 0.000 2.057 346 K HA -0.111 4.097 4.320 -0.188 0.000 0.207 346 K C 1.611 178.252 176.600 0.068 0.000 1.049 346 K CA 1.398 57.721 56.287 0.059 0.000 0.931 346 K CB -0.073 32.441 32.500 0.023 0.000 0.714 346 K HN 0.241 nan 8.250 nan 0.000 0.440 347 Q N 0.603 120.425 119.800 0.037 0.000 2.084 347 Q HA -0.108 4.119 4.340 -0.188 0.000 0.202 347 Q C 2.208 178.217 176.000 0.016 0.000 0.978 347 Q CA 1.318 57.130 55.803 0.016 0.000 0.844 347 Q CB -0.152 28.589 28.738 0.005 0.000 0.898 347 Q HN 0.402 nan 8.270 nan 0.000 0.426 348 I N -0.555 120.044 120.570 0.047 0.000 2.202 348 I HA -0.284 3.774 4.170 -0.188 0.000 0.242 348 I C 2.279 178.426 176.117 0.049 0.000 1.091 348 I CA 1.098 62.432 61.300 0.056 0.000 1.368 348 I CB -0.459 37.593 38.000 0.086 0.000 1.058 348 I HN 0.088 nan 8.210 nan 0.000 0.410 349 Y N 2.012 122.303 120.300 -0.015 0.000 2.165 349 Y HA -0.330 4.107 4.550 -0.188 0.000 0.286 349 Y C 2.515 178.375 175.900 -0.066 0.000 1.155 349 Y CA 1.928 60.013 58.100 -0.024 0.000 1.164 349 Y CB -0.506 37.943 38.460 -0.017 0.000 0.978 349 Y HN 0.226 nan 8.280 nan 0.000 0.513 350 N N 0.244 118.935 118.700 -0.014 0.000 2.205 350 N HA -0.197 4.430 4.740 -0.188 0.000 0.186 350 N C 1.590 176.945 175.510 -0.258 0.000 1.015 350 N CA 1.664 54.651 53.050 -0.106 0.000 0.862 350 N CB -0.097 38.361 38.487 -0.048 0.000 0.986 350 N HN 0.357 nan 8.380 nan 0.000 0.429 351 I N 1.319 121.716 120.570 -0.290 0.000 2.235 351 I HA -0.139 3.919 4.170 -0.188 0.000 0.241 351 I C 2.418 178.253 176.117 -0.470 0.000 1.085 351 I CA 0.542 61.547 61.300 -0.492 0.000 1.378 351 I CB -1.121 36.613 38.000 -0.442 0.000 1.076 351 I HN 0.149 nan 8.210 nan 0.000 0.415 352 L N 0.791 121.818 121.223 -0.327 0.000 2.056 352 L HA -0.191 4.036 4.340 -0.188 0.000 0.207 352 L C 2.803 179.431 176.870 -0.403 0.000 1.078 352 L CA 1.668 56.331 54.840 -0.294 0.000 0.749 352 L CB -0.861 41.097 42.059 -0.168 0.000 0.901 352 L HN 0.300 nan 8.230 nan 0.000 0.433 353 S N -0.431 114.929 115.700 -0.566 0.000 2.370 353 S HA -0.208 4.150 4.470 -0.188 0.000 0.226 353 S C 1.993 176.401 174.600 -0.320 0.000 1.033 353 S CA 1.693 59.583 58.200 -0.515 0.000 1.011 353 S CB -1.286 61.522 63.200 -0.653 0.000 0.852 353 S HN 0.586 nan 8.310 nan 0.000 0.457 354 T N 0.208 114.573 114.554 -0.314 0.000 3.051 354 T HA 0.169 4.406 4.350 -0.188 0.000 0.269 354 T C 1.316 175.882 174.700 -0.223 0.000 1.127 354 T CA 0.663 62.615 62.100 -0.245 0.000 1.107 354 T CB -0.617 68.093 68.868 -0.263 0.000 0.898 354 T HN 0.411 nan 8.240 nan 0.000 0.517 355 L N 0.643 121.715 121.223 -0.252 0.000 2.653 355 L HA 0.418 4.645 4.340 -0.188 0.000 0.231 355 L C 1.659 178.434 176.870 -0.158 0.000 1.153 355 L CA 0.112 54.843 54.840 -0.181 0.000 0.933 355 L CB -0.268 41.687 42.059 -0.173 0.000 1.175 355 L HN 0.541 nan 8.230 nan 0.000 0.473 356 G N 0.792 109.491 108.800 -0.169 0.000 2.160 356 G HA2 -0.256 3.592 3.960 -0.188 0.000 0.244 356 G HA3 -0.256 3.592 3.960 -0.188 0.000 0.244 356 G C -0.162 174.625 174.900 -0.187 0.000 1.022 356 G CA -0.089 44.924 45.100 -0.145 0.000 0.741 356 G HN 0.249 nan 8.290 nan 0.000 0.508 357 L N -0.527 120.541 121.223 -0.258 0.000 2.334 357 L HA 0.728 4.955 4.340 -0.188 0.000 0.273 357 L C 0.512 177.240 176.870 -0.238 0.000 1.013 357 L CA -1.271 53.369 54.840 -0.334 0.000 0.816 357 L CB 1.641 43.363 42.059 -0.563 0.000 1.278 357 L HN -0.095 nan 8.230 nan 0.000 0.431 358 R N 2.284 122.697 120.500 -0.146 0.000 3.057 358 R HA 0.306 4.533 4.340 -0.188 0.000 0.291 358 R C -2.396 173.958 176.300 0.089 0.000 1.394 358 R CA -1.631 54.469 56.100 -0.001 0.000 1.630 358 R CB -0.118 30.199 30.300 0.027 0.000 1.268 358 R HN 0.392 nan 8.270 nan 0.000 0.621 359 P HA 0.058 nan 4.420 nan 0.000 0.271 359 P C 0.037 177.506 177.300 0.281 0.000 1.218 359 P CA -0.003 63.264 63.100 0.277 0.000 0.780 359 P CB 1.038 32.915 31.700 0.295 0.000 0.901 360 S N 0.895 116.730 115.700 0.225 0.000 2.669 360 S HA 0.194 4.552 4.470 -0.188 0.000 0.270 360 S C 1.334 176.007 174.600 0.122 0.000 1.225 360 S CA -0.333 57.949 58.200 0.137 0.000 0.991 360 S CB 0.126 63.379 63.200 0.088 0.000 0.987 360 S HN 0.470 nan 8.310 nan 0.000 0.552 361 T N 1.534 116.127 114.554 0.065 0.000 2.788 361 T HA -0.082 4.155 4.350 -0.188 0.000 0.268 361 T C 1.829 176.554 174.700 0.042 0.000 1.044 361 T CA 2.044 64.173 62.100 0.048 0.000 1.139 361 T CB -0.879 67.996 68.868 0.013 0.000 0.867 361 T HN 0.783 nan 8.240 nan 0.000 0.454 362 T N 2.048 116.617 114.554 0.025 0.000 2.746 362 T HA -0.122 4.115 4.350 -0.188 0.000 0.267 362 T C 1.701 176.397 174.700 -0.006 0.000 1.039 362 T CA 1.212 63.313 62.100 0.002 0.000 1.142 362 T CB -0.454 68.405 68.868 -0.015 0.000 0.866 362 T HN 0.341 nan 8.240 nan 0.000 0.444 363 D N 0.772 121.183 120.400 0.018 0.000 2.104 363 D HA -0.089 4.438 4.640 -0.188 0.000 0.194 363 D C 2.365 178.680 176.300 0.026 0.000 0.994 363 D CA 0.864 54.853 54.000 -0.018 0.000 0.830 363 D CB -0.645 40.244 40.800 0.149 0.000 0.959 363 D HN 0.381 nan 8.370 nan 0.000 0.452 364 C N 1.112 120.474 119.300 0.104 0.000 2.413 364 C HA -0.134 4.213 4.460 -0.188 0.000 0.276 364 C C 2.236 177.256 174.990 0.050 0.000 1.248 364 C CA 0.525 59.608 59.018 0.109 0.000 1.742 364 C CB -0.708 27.110 27.740 0.131 0.000 2.017 364 C HN 0.346 nan 8.230 nan 0.000 0.481 365 D N 0.702 121.116 120.400 0.023 0.000 2.144 365 D HA -0.051 4.476 4.640 -0.188 0.000 0.200 365 D C 1.913 178.200 176.300 -0.023 0.000 0.978 365 D CA 1.064 55.065 54.000 0.002 0.000 0.833 365 D CB -0.371 40.427 40.800 -0.003 0.000 0.961 365 D HN 0.487 nan 8.370 nan 0.000 0.470 366 I N 0.408 120.950 120.570 -0.048 0.000 2.315 366 I HA -0.191 3.867 4.170 -0.188 0.000 0.248 366 I C 2.373 178.435 176.117 -0.091 0.000 1.117 366 I CA 0.469 61.718 61.300 -0.084 0.000 1.404 366 I CB -0.045 37.874 38.000 -0.135 0.000 1.071 366 I HN -0.130 nan 8.210 nan 0.000 0.419 367 V N 0.935 120.808 119.914 -0.069 0.000 2.407 367 V HA -0.277 3.731 4.120 -0.188 0.000 0.248 367 V C 2.628 178.708 176.094 -0.025 0.000 1.055 367 V CA 1.915 64.192 62.300 -0.040 0.000 1.049 367 V CB -0.748 31.120 31.823 0.074 0.000 0.662 367 V HN 0.419 nan 8.190 nan 0.000 0.455 368 R N 0.739 121.237 120.500 -0.003 0.000 2.075 368 R HA -0.164 4.063 4.340 -0.188 0.000 0.232 368 R C 2.580 178.860 176.300 -0.032 0.000 1.126 368 R CA 1.618 57.718 56.100 0.000 0.000 0.963 368 R CB -0.228 30.078 30.300 0.011 0.000 0.858 368 R HN 0.635 nan 8.270 nan 0.000 0.435 369 R N -0.188 120.284 120.500 -0.046 0.000 2.115 369 R HA 0.001 4.229 4.340 -0.188 0.000 0.230 369 R C 2.017 178.255 176.300 -0.103 0.000 1.111 369 R CA 1.258 57.323 56.100 -0.059 0.000 0.976 369 R CB -0.476 29.796 30.300 -0.047 0.000 0.870 369 R HN 0.179 nan 8.270 nan 0.000 0.445 370 A N 1.411 124.152 122.820 -0.132 0.000 1.898 370 A HA -0.079 4.128 4.320 -0.188 0.000 0.216 370 A C 2.408 179.835 177.584 -0.262 0.000 1.181 370 A CA 1.236 53.143 52.037 -0.216 0.000 0.620 370 A CB -0.722 18.143 19.000 -0.225 0.000 0.819 370 A HN 0.519 nan 8.150 nan 0.000 0.442 371 C N -0.464 118.735 119.300 -0.168 0.000 2.429 371 C HA -0.099 4.248 4.460 -0.188 0.000 0.277 371 C C 2.649 177.577 174.990 -0.104 0.000 1.262 371 C CA 1.232 60.180 59.018 -0.116 0.000 1.733 371 C CB -1.295 26.451 27.740 0.009 0.000 2.010 371 C HN 0.684 nan 8.230 nan 0.000 0.483 372 E N 0.633 120.785 120.200 -0.081 0.000 2.110 372 E HA -0.158 4.079 4.350 -0.188 0.000 0.193 372 E C 2.271 178.782 176.600 -0.148 0.000 0.988 372 E CA 1.495 57.853 56.400 -0.069 0.000 0.804 372 E CB -0.164 29.510 29.700 -0.043 0.000 0.745 372 E HN 0.568 nan 8.360 nan 0.000 0.458 373 S N 0.383 115.952 115.700 -0.218 0.000 2.356 373 S HA -0.126 4.231 4.470 -0.188 0.000 0.223 373 S C 2.210 176.535 174.600 -0.458 0.000 1.032 373 S CA 0.974 59.002 58.200 -0.288 0.000 1.005 373 S CB -0.118 62.878 63.200 -0.339 0.000 0.867 373 S HN 0.062 nan 8.310 nan 0.000 0.449 374 V N 2.258 121.794 119.914 -0.629 0.000 2.323 374 V HA -0.120 3.887 4.120 -0.188 0.000 0.244 374 V C 2.686 178.639 176.094 -0.235 0.000 1.041 374 V CA 1.867 63.824 62.300 -0.572 0.000 1.025 374 V CB -0.952 30.568 31.823 -0.505 0.000 0.656 374 V HN 0.688 nan 8.190 nan 0.000 0.451 375 S N -0.711 114.877 115.700 -0.187 0.000 2.428 375 S HA -0.175 4.182 4.470 -0.188 0.000 0.230 375 S C 1.894 176.393 174.600 -0.167 0.000 1.014 375 S CA 1.692 59.800 58.200 -0.152 0.000 0.957 375 S CB -0.581 62.483 63.200 -0.225 0.000 0.784 375 S HN 0.544 nan 8.310 nan 0.000 0.499 376 T N 1.926 116.352 114.554 -0.214 0.000 2.821 376 T HA 0.033 4.270 4.350 -0.188 0.000 0.267 376 T C 1.874 176.340 174.700 -0.391 0.000 1.046 376 T CA 1.192 63.081 62.100 -0.351 0.000 1.139 376 T CB -0.287 68.393 68.868 -0.314 0.000 0.871 376 T HN 0.460 nan 8.240 nan 0.000 0.454 377 R N 0.803 121.203 120.500 -0.167 0.000 2.092 377 R HA -0.010 4.217 4.340 -0.188 0.000 0.231 377 R C 2.563 178.864 176.300 0.002 0.000 1.119 377 R CA 1.264 57.353 56.100 -0.017 0.000 0.970 377 R CB -0.364 30.047 30.300 0.184 0.000 0.864 377 R HN 0.367 nan 8.270 nan 0.000 0.440 378 A N 0.804 123.625 122.820 0.001 0.000 1.877 378 A HA -0.117 4.091 4.320 -0.188 0.000 0.216 378 A C 2.351 179.999 177.584 0.107 0.000 1.186 378 A CA 1.701 53.783 52.037 0.074 0.000 0.620 378 A CB -0.781 18.299 19.000 0.135 0.000 0.822 378 A HN 0.513 nan 8.150 nan 0.000 0.443 379 A N -0.786 121.991 122.820 -0.071 0.000 1.902 379 A HA -0.201 4.007 4.320 -0.188 0.000 0.217 379 A C 1.963 179.585 177.584 0.063 0.000 1.181 379 A CA 1.725 53.540 52.037 -0.370 0.000 0.623 379 A CB -1.040 17.497 19.000 -0.771 0.000 0.818 379 A HN 0.774 nan 8.150 nan 0.000 0.443 380 H N -1.974 117.073 119.070 -0.039 0.000 2.357 380 H HA -0.051 4.391 4.556 -0.190 0.000 0.301 380 H C 2.208 177.550 175.328 0.023 0.000 1.082 380 H CA 1.075 57.119 56.048 -0.008 0.000 1.342 380 H CB -0.073 29.675 29.762 -0.024 0.000 1.389 380 H HN 0.299 nan 8.280 nan 0.000 0.511 381 M N 0.197 119.885 119.600 0.147 0.000 2.086 381 M HA -0.201 4.166 4.480 -0.188 0.000 0.261 381 M C 2.759 179.147 176.300 0.147 0.000 1.067 381 M CA 0.794 56.158 55.300 0.106 0.000 1.116 381 M CB -1.030 31.590 32.600 0.033 0.000 1.348 381 M HN 0.413 nan 8.290 nan 0.000 0.407 382 C N 0.650 120.023 119.300 0.121 0.000 2.413 382 C HA -0.148 4.199 4.460 -0.188 0.000 0.277 382 C C 3.240 178.495 174.990 0.441 0.000 1.265 382 C CA 1.898 61.039 59.018 0.205 0.000 1.752 382 C CB -1.059 26.815 27.740 0.223 0.000 1.998 382 C HN 0.742 nan 8.230 nan 0.000 0.489 383 S N 1.031 117.006 115.700 0.459 0.000 2.402 383 S HA -0.005 4.352 4.470 -0.188 0.000 0.229 383 S C 2.044 176.709 174.600 0.108 0.000 1.021 383 S CA 1.463 59.824 58.200 0.268 0.000 0.974 383 S CB -0.608 62.610 63.200 0.030 0.000 0.800 383 S HN 0.797 nan 8.310 nan 0.000 0.484 384 A N 1.672 124.529 122.820 0.061 0.000 1.969 384 A HA 0.295 4.502 4.320 -0.188 0.000 0.218 384 A C 2.341 179.868 177.584 -0.094 0.000 1.169 384 A CA 1.340 53.360 52.037 -0.029 0.000 0.635 384 A CB -1.658 17.313 19.000 -0.049 0.000 0.810 384 A HN 0.645 nan 8.150 nan 0.000 0.445 385 G N -0.298 108.411 108.800 -0.151 0.000 2.433 385 G HA2 -0.184 3.663 3.960 -0.188 0.000 0.216 385 G HA3 -0.184 3.663 3.960 -0.188 0.000 0.216 385 G C 1.562 176.424 174.900 -0.063 0.000 1.186 385 G CA 0.905 45.723 45.100 -0.469 0.000 0.779 385 G HN 0.390 nan 8.290 nan 0.000 0.543 386 L N 0.619 121.990 121.223 0.245 0.000 2.046 386 L HA -0.068 4.160 4.340 -0.188 0.000 0.208 386 L C 3.262 180.244 176.870 0.186 0.000 1.077 386 L CA 1.586 56.693 54.840 0.444 0.000 0.747 386 L CB -0.431 41.970 42.059 0.570 0.000 0.896 386 L HN 0.339 nan 8.230 nan 0.000 0.432 387 A N -0.177 122.694 122.820 0.085 0.000 1.902 387 A HA -0.156 4.051 4.320 -0.188 0.000 0.217 387 A C 2.302 179.873 177.584 -0.021 0.000 1.181 387 A CA 1.618 53.662 52.037 0.012 0.000 0.623 387 A CB -1.244 17.744 19.000 -0.021 0.000 0.818 387 A HN 0.507 nan 8.150 nan 0.000 0.443 388 G N -0.605 108.168 108.800 -0.046 0.000 2.442 388 G HA2 -0.139 3.708 3.960 -0.188 0.000 0.219 388 G HA3 -0.139 3.708 3.960 -0.188 0.000 0.219 388 G C 1.510 176.353 174.900 -0.094 0.000 1.141 388 G CA 1.315 46.361 45.100 -0.089 0.000 0.763 388 G HN 0.328 nan 8.290 nan 0.000 0.554 389 V N 0.976 120.860 119.914 -0.051 0.000 2.307 389 V HA -0.096 3.911 4.120 -0.188 0.000 0.245 389 V C 2.776 178.755 176.094 -0.191 0.000 1.045 389 V CA 1.480 63.677 62.300 -0.171 0.000 1.024 389 V CB -0.329 31.452 31.823 -0.070 0.000 0.651 389 V HN 0.386 nan 8.190 nan 0.000 0.449 390 I N 0.437 120.960 120.570 -0.078 0.000 2.315 390 I HA -0.192 3.865 4.170 -0.188 0.000 0.248 390 I C 2.299 178.374 176.117 -0.070 0.000 1.117 390 I CA 1.260 62.520 61.300 -0.067 0.000 1.404 390 I CB -0.457 37.524 38.000 -0.032 0.000 1.071 390 I HN 0.353 nan 8.210 nan 0.000 0.419 391 N N 0.687 119.348 118.700 -0.065 0.000 2.188 391 N HA -0.160 4.467 4.740 -0.188 0.000 0.184 391 N C 1.872 177.342 175.510 -0.066 0.000 1.018 391 N CA 0.899 53.915 53.050 -0.057 0.000 0.858 391 N CB -0.363 38.094 38.487 -0.050 0.000 0.989 391 N HN 0.342 nan 8.380 nan 0.000 0.426 392 R N 0.835 121.277 120.500 -0.096 0.000 2.070 392 R HA -0.008 4.220 4.340 -0.188 0.000 0.233 392 R C 2.124 178.376 176.300 -0.080 0.000 1.137 392 R CA 1.189 57.231 56.100 -0.098 0.000 0.945 392 R CB -0.166 30.043 30.300 -0.153 0.000 0.845 392 R HN 0.140 nan 8.270 nan 0.000 0.430 393 M N 0.053 119.589 119.600 -0.108 0.000 2.106 393 M HA -0.212 4.155 4.480 -0.188 0.000 0.259 393 M C 2.493 178.779 176.300 -0.023 0.000 1.068 393 M CA 1.927 57.199 55.300 -0.047 0.000 1.100 393 M CB -0.388 32.187 32.600 -0.043 0.000 1.351 393 M HN 0.160 nan 8.290 nan 0.000 0.404 394 R N 0.925 121.405 120.500 -0.033 0.000 2.249 394 R HA -0.151 4.076 4.340 -0.188 0.000 0.230 394 R C 1.200 177.490 176.300 -0.017 0.000 1.121 394 R CA 1.281 57.367 56.100 -0.023 0.000 0.997 394 R CB -0.107 30.176 30.300 -0.028 0.000 0.867 394 R HN 0.465 nan 8.270 nan 0.000 0.465 395 E N -0.607 119.582 120.200 -0.019 0.000 2.511 395 E HA -0.007 4.230 4.350 -0.188 0.000 0.196 395 E C 0.253 176.850 176.600 -0.005 0.000 1.066 395 E CA 0.288 56.680 56.400 -0.013 0.000 0.871 395 E CB 0.471 30.162 29.700 -0.015 0.000 0.863 395 E HN 0.199 nan 8.360 nan 0.000 0.520 396 S N 0.101 115.800 115.700 -0.001 0.000 2.749 396 S HA 0.227 4.584 4.470 -0.188 0.000 0.246 396 S C -0.008 174.594 174.600 0.004 0.000 1.023 396 S CA -0.289 57.914 58.200 0.005 0.000 1.012 396 S CB 0.533 63.743 63.200 0.015 0.000 0.942 396 S HN 0.073 nan 8.310 nan 0.000 0.531 397 R N 0.729 121.229 120.500 -0.000 0.000 2.686 397 R HA 0.334 4.562 4.340 -0.188 0.000 0.283 397 R C 0.532 176.830 176.300 -0.003 0.000 0.978 397 R CA -0.233 55.866 56.100 -0.001 0.000 0.897 397 R CB 1.477 31.776 30.300 -0.001 0.000 1.192 397 R HN 0.232 nan 8.270 nan 0.000 0.457 398 S N 0.136 115.835 115.700 -0.002 0.000 2.527 398 S HA -0.003 4.354 4.470 -0.188 0.000 0.222 398 S C 0.226 174.824 174.600 -0.004 0.000 0.985 398 S CA -0.027 58.172 58.200 -0.003 0.000 0.921 398 S CB -0.033 63.166 63.200 -0.002 0.000 0.772 398 S HN 0.509 nan 8.310 nan 0.000 0.529 399 E N 2.453 122.650 120.200 -0.004 0.000 2.404 399 E HA 0.189 4.426 4.350 -0.188 0.000 0.261 399 E C 0.464 177.059 176.600 -0.008 0.000 1.074 399 E CA -0.031 56.366 56.400 -0.005 0.000 0.917 399 E CB 0.362 30.058 29.700 -0.006 0.000 0.965 399 E HN 0.176 nan 8.360 nan 0.000 0.433 400 D N 0.723 121.118 120.400 -0.008 0.000 2.077 400 D HA -0.069 4.458 4.640 -0.188 0.000 0.196 400 D C 0.233 176.526 176.300 -0.012 0.000 0.986 400 D CA 1.033 55.028 54.000 -0.009 0.000 0.829 400 D CB 0.131 40.926 40.800 -0.008 0.000 0.983 400 D HN 0.122 nan 8.370 nan 0.000 0.453 401 V N 2.223 122.129 119.914 -0.012 0.000 2.350 401 V HA 0.186 4.193 4.120 -0.188 0.000 0.276 401 V C 0.159 176.243 176.094 -0.017 0.000 1.028 401 V CA -0.423 61.868 62.300 -0.016 0.000 0.860 401 V CB 1.619 33.433 31.823 -0.015 0.000 0.990 401 V HN 0.089 nan 8.190 nan 0.000 0.453 402 M N 6.104 125.691 119.600 -0.021 0.000 2.146 402 M HA 0.431 4.799 4.480 -0.188 0.000 0.357 402 M C -0.052 176.229 176.300 -0.031 0.000 1.261 402 M CA -0.173 55.114 55.300 -0.022 0.000 1.106 402 M CB 0.307 32.892 32.600 -0.024 0.000 1.612 402 M HN 0.557 nan 8.290 nan 0.000 0.470 403 R N 5.677 126.162 120.500 -0.026 0.000 2.207 403 R HA 0.606 4.833 4.340 -0.188 0.000 0.334 403 R C -0.952 175.326 176.300 -0.036 0.000 1.013 403 R CA -0.263 55.816 56.100 -0.034 0.000 0.858 403 R CB 1.062 31.348 30.300 -0.024 0.000 1.094 403 R HN 0.743 nan 8.270 nan 0.000 0.457 404 I N 1.044 121.576 120.570 -0.063 0.000 2.686 404 I HA 0.336 4.394 4.170 -0.188 0.000 0.295 404 I C -0.953 175.097 176.117 -0.113 0.000 1.114 404 I CA -0.395 60.866 61.300 -0.066 0.000 1.038 404 I CB 2.717 40.678 38.000 -0.065 0.000 1.238 404 I HN 0.456 nan 8.210 nan 0.000 0.420 405 T N 5.923 120.431 114.554 -0.077 0.000 2.797 405 T HA 0.506 4.743 4.350 -0.188 0.000 0.279 405 T C -0.810 173.837 174.700 -0.088 0.000 0.991 405 T CA -0.377 61.662 62.100 -0.101 0.000 0.979 405 T CB 1.642 70.491 68.868 -0.032 0.000 0.943 405 T HN 0.251 nan 8.240 nan 0.000 0.444 406 V N 2.888 122.707 119.914 -0.158 0.000 2.384 406 V HA 0.647 4.654 4.120 -0.188 0.000 0.287 406 V C 0.774 176.901 176.094 0.054 0.000 1.020 406 V CA -0.831 61.437 62.300 -0.053 0.000 0.850 406 V CB 1.555 33.334 31.823 -0.072 0.000 0.987 406 V HN 1.020 nan 8.190 nan 0.000 0.436 407 G N 3.766 112.602 108.800 0.060 0.000 2.338 407 G HA2 0.582 4.430 3.960 -0.188 0.000 0.298 407 G HA3 0.582 4.430 3.960 -0.188 0.000 0.298 407 G C -0.871 174.045 174.900 0.027 0.000 1.140 407 G CA -0.262 44.878 45.100 0.066 0.000 0.860 407 G HN 0.577 nan 8.290 nan 0.000 0.470 408 V N 2.478 122.386 119.914 -0.009 0.000 2.709 408 V HA 0.536 4.543 4.120 -0.188 0.000 0.308 408 V C -0.866 175.147 176.094 -0.134 0.000 1.062 408 V CA -0.833 61.352 62.300 -0.192 0.000 0.901 408 V CB 2.045 33.466 31.823 -0.671 0.000 1.003 408 V HN 0.791 nan 8.190 nan 0.000 0.425 409 D N 1.164 121.490 120.400 -0.122 0.000 2.566 409 D HA 0.826 5.354 4.640 -0.188 0.000 0.254 409 D C -0.225 176.052 176.300 -0.038 0.000 1.090 409 D CA 0.609 54.591 54.000 -0.031 0.000 1.034 409 D CB 2.439 43.222 40.800 -0.028 0.000 1.434 409 D HN 1.120 nan 8.370 nan 0.000 0.509 410 G N -0.355 108.443 108.800 -0.005 0.000 2.764 410 G HA2 0.077 3.924 3.960 -0.188 0.000 0.678 410 G HA3 0.077 3.924 3.960 -0.188 0.000 0.678 410 G C 0.651 175.545 174.900 -0.010 0.000 1.341 410 G CA 0.399 45.481 45.100 -0.030 0.000 0.836 410 G HN 0.627 nan 8.290 nan 0.000 0.632 411 S N 0.073 115.744 115.700 -0.048 0.000 2.399 411 S HA -0.115 4.242 4.470 -0.188 0.000 0.231 411 S C 2.309 176.864 174.600 -0.075 0.000 1.022 411 S CA 2.247 60.418 58.200 -0.049 0.000 0.983 411 S CB -0.133 63.032 63.200 -0.060 0.000 0.803 411 S HN 1.276 nan 8.310 nan 0.000 0.480 412 V N 0.598 120.418 119.914 -0.156 0.000 2.323 412 V HA -0.096 3.911 4.120 -0.188 0.000 0.244 412 V C 2.249 178.144 176.094 -0.332 0.000 1.041 412 V CA 1.900 64.022 62.300 -0.297 0.000 1.025 412 V CB -1.024 30.464 31.823 -0.559 0.000 0.656 412 V HN 0.592 nan 8.190 nan 0.000 0.451 413 Y N 1.262 121.314 120.300 -0.415 0.000 2.181 413 Y HA -0.218 4.233 4.550 -0.165 0.000 0.288 413 Y C 2.463 178.341 175.900 -0.037 0.000 1.146 413 Y CA 1.861 59.839 58.100 -0.204 0.000 1.164 413 Y CB -0.040 38.349 38.460 -0.119 0.000 0.982 413 Y HN 0.163 nan 8.280 nan 0.000 0.515 414 K N -1.194 119.243 120.400 0.062 0.000 2.186 414 K HA 0.007 4.215 4.320 -0.188 0.000 0.202 414 K C 1.211 177.797 176.600 -0.024 0.000 1.052 414 K CA 0.845 57.142 56.287 0.016 0.000 0.965 414 K CB 0.098 32.649 32.500 0.085 0.000 0.746 414 K HN 0.226 nan 8.250 nan 0.000 0.457 415 L N -0.084 121.129 121.223 -0.017 0.000 2.664 415 L HA 0.105 4.332 4.340 -0.188 0.000 0.233 415 L C 0.743 177.604 176.870 -0.015 0.000 1.113 415 L CA 0.472 55.301 54.840 -0.018 0.000 0.896 415 L CB -0.491 41.556 42.059 -0.020 0.000 1.163 415 L HN 0.186 nan 8.230 nan 0.000 0.497 416 H N 1.535 120.564 119.070 -0.068 0.000 2.690 416 H HA 0.127 4.571 4.556 -0.187 0.000 0.314 416 H C -1.603 173.717 175.328 -0.013 0.000 1.069 416 H CA -1.441 54.589 56.048 -0.030 0.000 1.436 416 H CB 1.755 31.503 29.762 -0.024 0.000 1.462 416 H HN -0.099 nan 8.280 nan 0.000 0.511 417 P HA -0.200 nan 4.420 nan 0.000 0.220 417 P C 0.653 177.965 177.300 0.021 0.000 1.155 417 P CA 2.387 65.423 63.100 -0.106 0.000 0.880 417 P CB 0.368 31.953 31.700 -0.192 0.000 0.790 418 S N -4.897 110.910 115.700 0.179 0.000 2.960 418 S HA 0.179 4.536 4.470 -0.188 0.000 0.256 418 S C 1.121 175.785 174.600 0.107 0.000 1.017 418 S CA -0.630 57.637 58.200 0.113 0.000 1.144 418 S CB -1.213 62.027 63.200 0.067 0.000 1.109 418 S HN -0.021 nan 8.310 nan 0.000 0.638 419 F N 3.461 123.456 119.950 0.075 0.000 2.075 419 F HA 0.052 4.465 4.527 -0.190 0.000 0.297 419 F C 2.297 178.014 175.800 -0.139 0.000 1.113 419 F CA 2.061 59.996 58.000 -0.108 0.000 1.218 419 F CB -0.216 38.662 39.000 -0.204 0.000 0.984 419 F HN 0.206 nan 8.300 nan 0.000 0.472 420 K N 0.281 120.645 120.400 -0.060 0.000 2.034 420 K HA -0.253 3.954 4.320 -0.188 0.000 0.214 420 K C 2.023 178.282 176.600 -0.568 0.000 1.051 420 K CA 2.165 58.186 56.287 -0.444 0.000 0.931 420 K CB -0.340 31.770 32.500 -0.650 0.000 0.715 420 K HN 0.426 nan 8.250 nan 0.000 0.446 421 E N 0.641 120.651 120.200 -0.316 0.000 2.072 421 E HA -0.201 4.037 4.350 -0.188 0.000 0.191 421 E C 2.163 178.683 176.600 -0.133 0.000 0.985 421 E CA 1.133 57.419 56.400 -0.189 0.000 0.801 421 E CB -0.402 29.251 29.700 -0.078 0.000 0.750 421 E HN 0.401 nan 8.360 nan 0.000 0.452 422 R N 0.079 120.490 120.500 -0.148 0.000 2.073 422 R HA -0.091 4.136 4.340 -0.188 0.000 0.234 422 R C 2.393 178.647 176.300 -0.076 0.000 1.134 422 R CA 1.509 57.552 56.100 -0.096 0.000 0.952 422 R CB -0.613 29.578 30.300 -0.180 0.000 0.850 422 R HN 0.146 nan 8.270 nan 0.000 0.433 423 F N 1.386 121.105 119.950 -0.385 0.000 2.046 423 F HA -0.249 4.167 4.527 -0.185 0.000 0.297 423 F C 2.066 177.812 175.800 -0.090 0.000 1.123 423 F CA 1.802 59.618 58.000 -0.306 0.000 1.199 423 F CB -0.635 38.082 39.000 -0.471 0.000 0.972 423 F HN 0.081 nan 8.300 nan 0.000 0.474 424 H N -0.589 118.237 119.070 -0.406 0.000 2.319 424 H HA -0.152 4.289 4.556 -0.192 0.000 0.297 424 H C 2.368 177.550 175.328 -0.243 0.000 1.097 424 H CA 0.770 56.517 56.048 -0.502 0.000 1.285 424 H CB -0.388 29.169 29.762 -0.342 0.000 1.368 424 H HN 0.417 nan 8.280 nan 0.000 0.495 425 A N 0.219 123.030 122.820 -0.016 0.000 1.877 425 A HA -0.228 3.979 4.320 -0.188 0.000 0.216 425 A C 2.512 180.059 177.584 -0.062 0.000 1.186 425 A CA 1.876 53.903 52.037 -0.016 0.000 0.620 425 A CB -0.837 18.162 19.000 -0.002 0.000 0.822 425 A HN 0.382 nan 8.150 nan 0.000 0.443 426 S N -0.810 114.830 115.700 -0.100 0.000 2.368 426 S HA -0.117 4.240 4.470 -0.188 0.000 0.224 426 S C 1.929 176.444 174.600 -0.142 0.000 1.029 426 S CA 1.529 59.641 58.200 -0.148 0.000 0.988 426 S CB -0.503 62.607 63.200 -0.149 0.000 0.838 426 S HN 0.289 nan 8.310 nan 0.000 0.462 427 V N 1.982 121.775 119.914 -0.201 0.000 2.287 427 V HA -0.169 3.838 4.120 -0.188 0.000 0.248 427 V C 2.680 178.741 176.094 -0.056 0.000 1.053 427 V CA 2.151 64.361 62.300 -0.151 0.000 1.027 427 V CB -0.704 30.997 31.823 -0.204 0.000 0.646 427 V HN 0.432 nan 8.190 nan 0.000 0.447 428 R N -0.459 120.025 120.500 -0.027 0.000 2.081 428 R HA -0.121 4.106 4.340 -0.188 0.000 0.235 428 R C 2.514 178.800 176.300 -0.024 0.000 1.131 428 R CA 1.451 57.549 56.100 -0.003 0.000 0.960 428 R CB -0.322 29.992 30.300 0.024 0.000 0.856 428 R HN 0.465 nan 8.270 nan 0.000 0.436 429 R N 0.246 120.721 120.500 -0.042 0.000 2.152 429 R HA -0.071 4.156 4.340 -0.188 0.000 0.232 429 R C 1.737 178.009 176.300 -0.047 0.000 1.117 429 R CA 0.951 57.024 56.100 -0.046 0.000 0.981 429 R CB -0.082 30.179 30.300 -0.065 0.000 0.870 429 R HN 0.243 nan 8.270 nan 0.000 0.451 430 L N 0.024 121.215 121.223 -0.053 0.000 2.607 430 L HA 0.066 4.293 4.340 -0.188 0.000 0.228 430 L C 0.642 177.490 176.870 -0.037 0.000 1.123 430 L CA 0.348 55.160 54.840 -0.048 0.000 0.890 430 L CB 0.468 42.493 42.059 -0.056 0.000 1.103 430 L HN 0.086 nan 8.230 nan 0.000 0.468 431 T N -3.056 111.479 114.554 -0.032 0.000 3.532 431 T HA 0.395 4.632 4.350 -0.188 0.000 0.241 431 T C -2.557 172.127 174.700 -0.027 0.000 1.238 431 T CA -1.645 60.437 62.100 -0.029 0.000 1.405 431 T CB 0.248 69.099 68.868 -0.028 0.000 0.971 431 T HN -0.206 nan 8.240 nan 0.000 0.640 432 P HA 0.289 nan 4.420 nan 0.000 0.269 432 P C 0.596 177.883 177.300 -0.022 0.000 1.215 432 P CA 0.485 63.572 63.100 -0.021 0.000 0.780 432 P CB 0.446 32.135 31.700 -0.019 0.000 0.898 433 S N -2.003 113.685 115.700 -0.020 0.000 3.228 433 S HA -0.142 4.215 4.470 -0.188 0.000 0.282 433 S C 0.023 174.608 174.600 -0.024 0.000 1.286 433 S CA 0.875 59.063 58.200 -0.020 0.000 1.066 433 S CB -1.932 61.257 63.200 -0.018 0.000 1.277 433 S HN 0.600 nan 8.310 nan 0.000 0.661 434 C N 1.737 121.020 119.300 -0.029 0.000 2.396 434 C HA 0.604 4.951 4.460 -0.188 0.000 0.321 434 C C 0.347 175.311 174.990 -0.044 0.000 1.233 434 C CA -0.825 58.170 59.018 -0.039 0.000 1.440 434 C CB 1.218 28.931 27.740 -0.045 0.000 2.110 434 C HN 0.577 nan 8.230 nan 0.000 0.473 435 E N 3.458 123.628 120.200 -0.050 0.000 2.035 435 E HA 0.512 4.749 4.350 -0.188 0.000 0.271 435 E C -0.916 175.629 176.600 -0.091 0.000 0.953 435 E CA -0.171 56.197 56.400 -0.053 0.000 0.777 435 E CB 0.446 30.123 29.700 -0.039 0.000 1.104 435 E HN 0.638 nan 8.360 nan 0.000 0.408 436 I N 3.367 123.861 120.570 -0.128 0.000 2.359 436 I HA 0.254 4.312 4.170 -0.188 0.000 0.294 436 I C -0.009 175.926 176.117 -0.303 0.000 0.987 436 I CA -0.579 60.562 61.300 -0.265 0.000 1.225 436 I CB 1.957 39.731 38.000 -0.377 0.000 1.366 436 I HN 0.349 nan 8.210 nan 0.000 0.466 437 T N 5.981 120.326 114.554 -0.349 0.000 2.792 437 T HA 0.523 4.760 4.350 -0.188 0.000 0.280 437 T C -0.597 173.890 174.700 -0.355 0.000 0.990 437 T CA -0.340 61.623 62.100 -0.228 0.000 0.960 437 T CB 0.595 69.403 68.868 -0.099 0.000 0.939 437 T HN 0.107 nan 8.240 nan 0.000 0.439 438 F N 3.325 123.251 119.950 -0.040 0.000 2.420 438 F HA 0.544 4.952 4.527 -0.199 0.000 0.342 438 F C 0.217 176.090 175.800 0.123 0.000 1.113 438 F CA -1.188 56.837 58.000 0.042 0.000 1.059 438 F CB 1.001 40.008 39.000 0.012 0.000 1.128 438 F HN 0.226 nan 8.300 nan 0.000 0.475 439 I N 2.644 123.385 120.570 0.286 0.000 2.389 439 I HA 0.179 4.236 4.170 -0.188 0.000 0.288 439 I C -0.083 176.193 176.117 0.265 0.000 0.999 439 I CA -0.711 60.725 61.300 0.228 0.000 1.129 439 I CB 1.477 39.559 38.000 0.138 0.000 1.288 439 I HN 0.647 nan 8.210 nan 0.000 0.444 440 E N 4.440 124.821 120.200 0.301 0.000 2.105 440 E HA 0.143 4.380 4.350 -0.188 0.000 0.285 440 E C -0.300 176.413 176.600 0.187 0.000 1.055 440 E CA -0.101 56.495 56.400 0.326 0.000 0.843 440 E CB 0.890 30.805 29.700 0.358 0.000 1.067 440 E HN 0.551 nan 8.360 nan 0.000 0.398 441 S N 3.979 119.759 115.700 0.133 0.000 2.548 441 S HA 0.006 4.363 4.470 -0.188 0.000 0.277 441 S C -0.272 174.369 174.600 0.068 0.000 1.315 441 S CA -0.410 57.841 58.200 0.086 0.000 1.050 441 S CB 0.780 64.011 63.200 0.051 0.000 0.918 441 S HN 0.631 nan 8.310 nan 0.000 0.497 442 E N 3.511 123.743 120.200 0.053 0.000 2.073 442 E HA 0.192 4.430 4.350 -0.188 0.000 0.269 442 E C 0.240 176.838 176.600 -0.003 0.000 0.917 442 E CA -0.186 56.230 56.400 0.028 0.000 0.757 442 E CB 0.192 29.912 29.700 0.034 0.000 1.111 442 E HN 0.899 nan 8.360 nan 0.000 0.410 443 E N 1.699 121.883 120.200 -0.027 0.000 2.971 443 E HA -0.292 3.946 4.350 -0.188 0.000 0.278 443 E C 0.489 177.069 176.600 -0.034 0.000 1.009 443 E CA 0.968 57.334 56.400 -0.056 0.000 0.862 443 E CB -1.976 27.659 29.700 -0.108 0.000 1.436 443 E HN 0.716 nan 8.360 nan 0.000 0.434 444 G N 0.675 109.467 108.800 -0.013 0.000 2.442 444 G HA2 -0.292 3.555 3.960 -0.188 0.000 0.219 444 G HA3 -0.292 3.555 3.960 -0.188 0.000 0.219 444 G C 1.481 176.373 174.900 -0.014 0.000 1.141 444 G CA 0.951 46.047 45.100 -0.007 0.000 0.763 444 G HN 0.342 nan 8.290 nan 0.000 0.554 445 S N 0.472 116.161 115.700 -0.018 0.000 2.387 445 S HA -0.110 4.248 4.470 -0.188 0.000 0.230 445 S C 2.412 177.014 174.600 0.004 0.000 1.035 445 S CA 1.494 59.685 58.200 -0.015 0.000 1.014 445 S CB -0.429 62.758 63.200 -0.021 0.000 0.836 445 S HN 0.565 nan 8.310 nan 0.000 0.466 446 G N 0.481 109.282 108.800 0.001 0.000 2.411 446 G HA2 -0.062 3.785 3.960 -0.188 0.000 0.213 446 G HA3 -0.062 3.785 3.960 -0.188 0.000 0.213 446 G C 1.346 176.246 174.900 -0.000 0.000 1.166 446 G CA 0.107 45.216 45.100 0.016 0.000 0.802 446 G HN 0.369 nan 8.290 nan 0.000 0.533 447 R N 0.215 120.701 120.500 -0.024 0.000 2.092 447 R HA -0.002 4.225 4.340 -0.188 0.000 0.231 447 R C 2.731 178.992 176.300 -0.065 0.000 1.119 447 R CA 1.243 57.313 56.100 -0.050 0.000 0.970 447 R CB -0.535 29.725 30.300 -0.066 0.000 0.864 447 R HN 0.317 nan 8.270 nan 0.000 0.440 448 G N 0.033 108.807 108.800 -0.043 0.000 2.442 448 G HA2 -0.302 3.546 3.960 -0.188 0.000 0.219 448 G HA3 -0.302 3.546 3.960 -0.188 0.000 0.219 448 G C 1.450 176.321 174.900 -0.048 0.000 1.141 448 G CA 0.842 45.915 45.100 -0.045 0.000 0.763 448 G HN 0.464 nan 8.290 nan 0.000 0.554 449 A N 1.051 123.860 122.820 -0.017 0.000 1.902 449 A HA 0.306 4.513 4.320 -0.188 0.000 0.217 449 A C 2.804 180.380 177.584 -0.014 0.000 1.181 449 A CA 2.181 54.223 52.037 0.010 0.000 0.623 449 A CB -0.699 18.343 19.000 0.070 0.000 0.818 449 A HN 0.745 nan 8.150 nan 0.000 0.443 450 A N -0.256 122.546 122.820 -0.030 0.000 1.898 450 A HA 0.030 4.237 4.320 -0.188 0.000 0.216 450 A C 2.145 179.587 177.584 -0.236 0.000 1.181 450 A CA 1.365 53.368 52.037 -0.057 0.000 0.620 450 A CB -0.591 18.403 19.000 -0.009 0.000 0.819 450 A HN 0.455 nan 8.150 nan 0.000 0.442 451 L N -0.841 120.241 121.223 -0.236 0.000 2.046 451 L HA -0.145 4.082 4.340 -0.188 0.000 0.208 451 L C 2.500 179.207 176.870 -0.273 0.000 1.077 451 L CA 1.215 55.868 54.840 -0.311 0.000 0.747 451 L CB -0.547 41.370 42.059 -0.237 0.000 0.896 451 L HN 0.313 nan 8.230 nan 0.000 0.432 452 V N -1.085 118.724 119.914 -0.174 0.000 2.515 452 V HA -0.235 3.772 4.120 -0.188 0.000 0.250 452 V C 2.503 178.510 176.094 -0.145 0.000 1.058 452 V CA 2.072 64.288 62.300 -0.139 0.000 1.064 452 V CB 0.202 31.970 31.823 -0.092 0.000 0.675 452 V HN 0.438 nan 8.190 nan 0.000 0.461 453 S N 0.509 116.121 115.700 -0.147 0.000 2.382 453 S HA -0.150 4.207 4.470 -0.188 0.000 0.228 453 S C 2.159 176.654 174.600 -0.175 0.000 1.027 453 S CA 1.445 59.597 58.200 -0.079 0.000 0.991 453 S CB -0.548 62.686 63.200 0.056 0.000 0.823 453 S HN 0.810 nan 8.310 nan 0.000 0.469 454 A N 1.188 123.650 122.820 -0.597 0.000 1.902 454 A HA -0.049 4.158 4.320 -0.188 0.000 0.217 454 A C 2.339 179.778 177.584 -0.242 0.000 1.181 454 A CA 1.577 53.191 52.037 -0.706 0.000 0.623 454 A CB -0.870 17.466 19.000 -1.107 0.000 0.818 454 A HN 0.356 nan 8.150 nan 0.000 0.443 455 V N -0.228 119.551 119.914 -0.225 0.000 2.427 455 V HA -0.196 3.811 4.120 -0.188 0.000 0.248 455 V C 2.998 179.061 176.094 -0.052 0.000 1.051 455 V CA 1.802 64.033 62.300 -0.116 0.000 1.048 455 V CB -1.218 30.540 31.823 -0.109 0.000 0.666 455 V HN 0.600 nan 8.190 nan 0.000 0.456 456 A N -1.122 121.669 122.820 -0.049 0.000 1.969 456 A HA -0.222 3.986 4.320 -0.188 0.000 0.218 456 A C 2.318 179.917 177.584 0.025 0.000 1.169 456 A CA 2.023 54.055 52.037 -0.009 0.000 0.635 456 A CB -0.968 18.029 19.000 -0.005 0.000 0.810 456 A HN 0.587 nan 8.150 nan 0.000 0.445 457 C N -0.948 118.386 119.300 0.058 0.000 2.457 457 C HA 0.007 4.354 4.460 -0.188 0.000 0.278 457 C C 2.677 177.717 174.990 0.083 0.000 1.309 457 C CA 1.413 60.492 59.018 0.102 0.000 1.735 457 C CB -0.650 27.219 27.740 0.215 0.000 1.992 457 C HN 0.688 nan 8.230 nan 0.000 0.493 458 K N 2.003 122.446 120.400 0.072 0.000 2.057 458 K HA -0.122 4.085 4.320 -0.188 0.000 0.206 458 K C 2.053 178.683 176.600 0.050 0.000 1.050 458 K CA 1.547 57.876 56.287 0.070 0.000 0.935 458 K CB -0.448 32.090 32.500 0.064 0.000 0.715 458 K HN 0.437 nan 8.250 nan 0.000 0.439 459 K N -0.351 120.068 120.400 0.032 0.000 2.147 459 K HA -0.054 4.153 4.320 -0.188 0.000 0.205 459 K C 1.175 177.789 176.600 0.024 0.000 1.049 459 K CA 1.375 57.676 56.287 0.024 0.000 0.936 459 K CB -0.222 32.285 32.500 0.010 0.000 0.722 459 K HN 0.191 nan 8.250 nan 0.000 0.446 460 A N 0.742 123.579 122.820 0.027 0.000 2.327 460 A HA 0.206 4.413 4.320 -0.188 0.000 0.228 460 A C 0.128 177.730 177.584 0.029 0.000 1.275 460 A CA 0.230 52.282 52.037 0.024 0.000 0.875 460 A CB -1.050 17.963 19.000 0.022 0.000 0.925 460 A HN 0.544 nan 8.150 nan 0.000 0.493 461 C N 0.000 119.322 119.300 0.036 0.000 2.653 461 C HA 0.000 4.347 4.460 -0.188 0.000 0.325 461 C CA 0.000 59.042 59.018 0.040 0.000 1.963 461 C CB 0.000 27.758 27.740 0.030 0.000 2.134 461 C HN 0.000 nan 8.230 nan 0.000 0.568