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 1e8c_1_B DATA FIRST_RESID 2 DATA SEQUENCE DRNLRDLLAP WVPDAPSRAL REXTLDSRVA AAGDLFVAVV GHQADGRRYI DATA SEQUENCE PQAIAQGVAA IIAEAKDEAT DGEIREXHGV PVIYLSQLNE RLSALAGRFY DATA SEQUENCE HEPSDNLRLV GVTGTNGKTT TTQLLAQWSQ LLGEISAVXG TVGNGLLGKV DATA SEQUENCE IPTENTTGSA VDVQHELAGL VDQGATFCAX EVSSHGLVQH RVAALKFAAS DATA SEQUENCE VFTNLSRDHL DYHGDXEHYE AAXWLLYSEH HCGQAIINAD DEVGRRWLAK DATA SEQUENCE LPDAVAVSXE DHINPNCHGR WLKATEVNYH DSGATIRFSS SWGDGEIESH DATA SEQUENCE LXGAFNVSNL LLALATLLAL GYPLADLLKT AARLQPVCGR XEVFTAPGKP DATA SEQUENCE TVVVDYAHTP DALEKALQAA RLHCAGKLWC VFGCGGDRDK GKRPLXGAIA DATA SEQUENCE EEFADVAVVT DDNPRTEEPR AIINDILAGX LDAGHAKVXE GRAEAVTCAV DATA SEQUENCE XQAKENDVVL VAGKGHEDYQ IVGNQRLDYS DRVTVARLLG VIARSHH 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.217 176.300 -0.138 0.000 2.045 2 D CA 0.000 53.941 54.000 -0.098 0.000 0.868 2 D CB 0.000 40.716 40.800 -0.140 0.000 0.688 3 R N 0.742 121.071 120.500 -0.285 0.000 2.668 3 R HA 0.495 4.835 4.340 -0.000 0.000 0.279 3 R C -0.508 175.697 176.300 -0.158 0.000 0.976 3 R CA -0.720 55.213 56.100 -0.278 0.000 0.978 3 R CB 1.321 31.291 30.300 -0.550 0.000 1.133 3 R HN 0.194 nan 8.270 nan 0.000 0.484 4 N N 1.723 120.368 118.700 -0.092 0.000 2.492 4 N HA 0.030 4.770 4.740 -0.000 0.000 0.289 4 N C 0.786 176.292 175.510 -0.006 0.000 1.133 4 N CA -0.205 52.826 53.050 -0.033 0.000 0.961 4 N CB 1.467 39.939 38.487 -0.025 0.000 1.186 4 N HN 0.390 nan 8.380 nan 0.000 0.493 5 L N 3.880 125.118 121.223 0.025 0.000 2.042 5 L HA -0.083 4.256 4.340 -0.000 0.000 0.210 5 L C 2.484 179.373 176.870 0.031 0.000 1.076 5 L CA 1.757 56.623 54.840 0.043 0.000 0.749 5 L CB -0.450 41.632 42.059 0.039 0.000 0.893 5 L HN 0.664 nan 8.230 nan 0.000 0.432 6 R N -0.733 119.775 120.500 0.013 0.000 2.075 6 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 6 R C 1.941 178.237 176.300 -0.007 0.000 1.126 6 R CA 1.649 57.753 56.100 0.006 0.000 0.963 6 R CB -0.312 29.986 30.300 -0.003 0.000 0.858 6 R HN 0.467 nan 8.270 nan 0.000 0.435 7 D N 0.836 121.223 120.400 -0.022 0.000 2.149 7 D HA -0.197 4.443 4.640 -0.000 0.000 0.198 7 D C 1.914 178.192 176.300 -0.038 0.000 0.990 7 D CA 1.021 54.994 54.000 -0.044 0.000 0.839 7 D CB -0.128 40.638 40.800 -0.056 0.000 0.948 7 D HN 0.201 nan 8.370 nan 0.000 0.460 8 L N 0.545 121.765 121.223 -0.004 0.000 2.017 8 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 8 L C 2.073 179.037 176.870 0.155 0.000 1.073 8 L CA 1.543 56.419 54.840 0.060 0.000 0.745 8 L CB -0.256 41.865 42.059 0.104 0.000 0.894 8 L HN -0.027 nan 8.230 nan 0.000 0.432 9 L N -1.179 120.125 121.223 0.135 0.000 2.585 9 L HA 0.199 4.539 4.340 -0.000 0.000 0.226 9 L C 2.478 179.408 176.870 0.100 0.000 1.113 9 L CA 0.411 55.385 54.840 0.222 0.000 0.876 9 L CB -0.647 41.511 42.059 0.164 0.000 1.072 9 L HN 0.293 nan 8.230 nan 0.000 0.468 10 A N 1.715 124.520 122.820 -0.024 0.000 1.909 10 A HA -0.213 4.106 4.320 -0.000 0.000 0.221 10 A C -0.060 177.398 177.584 -0.210 0.000 1.223 10 A CA 2.197 54.176 52.037 -0.097 0.000 0.658 10 A CB -1.910 17.023 19.000 -0.111 0.000 0.831 10 A HN 0.286 nan 8.150 nan 0.000 0.462 11 P HA -0.125 nan 4.420 nan 0.000 0.221 11 P C 0.934 177.772 177.300 -0.770 0.000 1.145 11 P CA 1.168 63.794 63.100 -0.789 0.000 0.795 11 P CB 0.003 30.865 31.700 -1.396 0.000 0.775 12 W N -2.615 118.676 121.300 -0.016 0.000 3.097 12 W HA 0.284 4.944 4.660 -0.000 0.000 0.245 12 W C -0.255 176.258 176.519 -0.010 0.000 1.120 12 W CA 0.189 57.526 57.345 -0.014 0.000 1.468 12 W CB 0.417 29.867 29.460 -0.017 0.000 0.851 12 W HN -0.415 nan 8.180 nan 0.000 0.692 13 V N 2.470 122.500 119.914 0.193 0.000 2.266 13 V HA 0.158 4.278 4.120 -0.000 0.000 0.271 13 V C -1.567 174.559 176.094 0.054 0.000 1.032 13 V CA -1.155 61.215 62.300 0.116 0.000 0.806 13 V CB 1.220 33.113 31.823 0.116 0.000 1.052 13 V HN -0.303 nan 8.190 nan 0.000 0.449 14 P HA -0.171 nan 4.420 nan 0.000 0.216 14 P C 0.841 178.145 177.300 0.008 0.000 1.150 14 P CA 1.481 64.584 63.100 0.005 0.000 0.843 14 P CB 0.164 31.866 31.700 0.004 0.000 0.787 15 D N -1.792 118.620 120.400 0.019 0.000 2.427 15 D HA 0.178 4.818 4.640 -0.000 0.000 0.224 15 D C 0.176 176.489 176.300 0.021 0.000 1.157 15 D CA -0.387 53.623 54.000 0.017 0.000 0.828 15 D CB -0.397 40.414 40.800 0.018 0.000 0.974 15 D HN -0.007 nan 8.370 nan 0.000 0.498 16 A N 2.463 125.298 122.820 0.025 0.000 2.511 16 A HA 0.361 4.680 4.320 -0.000 0.000 0.242 16 A C -1.837 175.758 177.584 0.018 0.000 1.069 16 A CA -0.787 51.267 52.037 0.027 0.000 0.763 16 A CB 0.057 19.079 19.000 0.036 0.000 1.001 16 A HN 0.167 nan 8.150 nan 0.000 0.498 17 P HA 0.192 nan 4.420 nan 0.000 0.275 17 P C -0.191 177.117 177.300 0.014 0.000 1.266 17 P CA -0.312 62.797 63.100 0.014 0.000 0.793 17 P CB 0.912 32.622 31.700 0.016 0.000 1.074 18 S N 0.179 115.885 115.700 0.011 0.000 2.489 18 S HA 0.555 5.025 4.470 -0.000 0.000 0.291 18 S C -0.504 174.104 174.600 0.013 0.000 1.151 18 S CA -0.583 57.623 58.200 0.009 0.000 1.082 18 S CB -0.051 63.151 63.200 0.004 0.000 1.019 18 S HN 0.375 nan 8.310 nan 0.000 0.492 19 R N 1.772 122.281 120.500 0.016 0.000 2.579 19 R HA 0.458 4.798 4.340 -0.000 0.000 0.260 19 R C -1.121 175.192 176.300 0.023 0.000 1.103 19 R CA -0.628 55.485 56.100 0.021 0.000 0.942 19 R CB 1.663 31.979 30.300 0.028 0.000 1.251 19 R HN 0.751 nan 8.270 nan 0.000 0.450 20 A N 4.093 126.926 122.820 0.020 0.000 2.440 20 A HA 0.512 4.832 4.320 -0.000 0.000 0.251 20 A C -0.384 177.224 177.584 0.041 0.000 1.089 20 A CA 0.066 52.115 52.037 0.019 0.000 0.779 20 A CB 0.255 19.263 19.000 0.014 0.000 1.022 20 A HN 0.538 nan 8.150 nan 0.000 0.492 21 L N 2.377 123.633 121.223 0.055 0.000 2.381 21 L HA 0.520 4.859 4.340 -0.000 0.000 0.268 21 L C 1.037 177.986 176.870 0.132 0.000 0.997 21 L CA -0.700 54.212 54.840 0.121 0.000 0.818 21 L CB 2.110 44.311 42.059 0.236 0.000 1.310 21 L HN 0.932 nan 8.230 nan 0.000 0.416 22 R N 0.131 120.723 120.500 0.154 0.000 2.015 22 R HA 0.248 4.588 4.340 -0.000 0.000 0.212 22 R C -0.028 176.422 176.300 0.251 0.000 1.304 22 R CA 0.080 56.269 56.100 0.148 0.000 1.040 22 R CB 0.356 30.716 30.300 0.101 0.000 0.915 22 R HN 0.519 nan 8.270 nan 0.000 0.465 26 L N 0.775 122.064 121.223 0.110 0.000 2.592 26 L HA 0.284 4.624 4.340 -0.000 0.000 0.227 26 L C 0.408 177.443 176.870 0.276 0.000 1.127 26 L CA 0.514 55.418 54.840 0.106 0.000 0.884 26 L CB 0.313 42.400 42.059 0.047 0.000 1.065 26 L HN 0.538 nan 8.230 nan 0.000 0.457 27 D N -0.892 119.657 120.400 0.248 0.000 2.481 27 D HA 0.103 4.743 4.640 -0.000 0.000 0.246 27 D C 1.062 177.350 176.300 -0.021 0.000 1.109 27 D CA 0.059 54.138 54.000 0.132 0.000 0.845 27 D CB 1.832 42.646 40.800 0.023 0.000 1.160 27 D HN -0.015 nan 8.370 nan 0.000 0.534 28 S N 3.952 119.478 115.700 -0.290 0.000 2.400 28 S HA -0.205 4.265 4.470 -0.000 0.000 0.232 28 S C 1.636 176.050 174.600 -0.310 0.000 1.025 28 S CA 0.702 58.529 58.200 -0.622 0.000 0.993 28 S CB -0.114 62.649 63.200 -0.728 0.000 0.808 28 S HN 0.532 nan 8.310 nan 0.000 0.478 29 R N 0.849 121.213 120.500 -0.226 0.000 2.200 29 R HA -0.020 4.320 4.340 -0.000 0.000 0.234 29 R C 1.591 177.834 176.300 -0.095 0.000 1.127 29 R CA 1.457 57.468 56.100 -0.148 0.000 0.989 29 R CB -0.498 29.721 30.300 -0.134 0.000 0.869 29 R HN 0.639 nan 8.270 nan 0.000 0.459 30 V N -3.884 115.984 119.914 -0.077 0.000 3.159 30 V HA 0.472 4.592 4.120 -0.000 0.000 0.333 30 V C 0.199 176.281 176.094 -0.020 0.000 1.424 30 V CA -0.440 61.841 62.300 -0.032 0.000 1.125 30 V CB 0.651 32.473 31.823 -0.002 0.000 1.075 30 V HN 0.048 nan 8.190 nan 0.000 0.482 31 A N 1.250 124.031 122.820 -0.065 0.000 2.343 31 A HA 0.869 5.189 4.320 -0.000 0.000 0.305 31 A C 0.629 178.190 177.584 -0.038 0.000 1.308 31 A CA 0.511 52.519 52.037 -0.049 0.000 0.949 31 A CB -0.053 18.860 19.000 -0.146 0.000 1.148 31 A HN 1.122 nan 8.150 nan 0.000 0.545 32 A N 2.392 125.212 122.820 -0.000 0.000 2.239 32 A HA 0.806 5.125 4.320 -0.000 0.000 0.303 32 A C 0.835 178.427 177.584 0.014 0.000 1.114 32 A CA -0.054 51.986 52.037 0.005 0.000 0.871 32 A CB 0.094 19.106 19.000 0.020 0.000 1.201 32 A HN 2.044 nan 8.150 nan 0.000 0.506 33 A N -1.225 121.604 122.820 0.015 0.000 2.520 33 A HA 0.467 4.787 4.320 -0.000 0.000 0.245 33 A C 1.472 179.075 177.584 0.032 0.000 1.072 33 A CA 0.852 52.901 52.037 0.020 0.000 0.761 33 A CB -1.042 17.968 19.000 0.017 0.000 1.004 33 A HN 2.700 nan 8.150 nan 0.000 0.499 34 G N 2.226 111.048 108.800 0.037 0.000 2.199 34 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.254 34 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.254 34 G C -0.015 174.920 174.900 0.060 0.000 0.982 34 G CA 0.418 45.546 45.100 0.046 0.000 0.632 34 G HN 0.804 nan 8.290 nan 0.000 0.529 35 D N -0.405 120.029 120.400 0.055 0.000 2.383 35 D HA 0.573 5.213 4.640 -0.000 0.000 0.248 35 D C 0.312 176.643 176.300 0.052 0.000 1.170 35 D CA -0.335 53.698 54.000 0.055 0.000 0.977 35 D CB 1.384 42.212 40.800 0.047 0.000 1.120 35 D HN 0.298 nan 8.370 nan 0.000 0.481 36 L N 1.583 122.812 121.223 0.009 0.000 2.280 36 L HA 0.405 4.745 4.340 -0.000 0.000 0.287 36 L C -1.388 175.502 176.870 0.033 0.000 1.023 36 L CA -0.647 54.186 54.840 -0.011 0.000 0.819 36 L CB 0.662 42.650 42.059 -0.119 0.000 1.212 36 L HN 0.129 nan 8.230 nan 0.000 0.420 37 F N 6.136 126.041 119.950 -0.075 0.000 2.420 37 F HA 0.655 5.182 4.527 -0.000 0.000 0.342 37 F C -0.851 174.906 175.800 -0.072 0.000 1.113 37 F CA -0.852 57.111 58.000 -0.062 0.000 1.059 37 F CB 1.360 40.343 39.000 -0.028 0.000 1.128 37 F HN 0.212 nan 8.300 nan 0.000 0.475 38 V N 6.210 125.731 119.914 -0.655 0.000 2.347 38 V HA 0.664 4.784 4.120 -0.000 0.000 0.280 38 V C -0.093 175.415 176.094 -0.976 0.000 1.021 38 V CA -0.720 61.195 62.300 -0.642 0.000 0.847 38 V CB 0.878 32.512 31.823 -0.316 0.000 0.990 38 V HN 0.996 nan 8.190 nan 0.000 0.444 39 A N 5.801 128.117 122.820 -0.840 0.000 2.273 39 A HA 0.793 5.113 4.320 -0.000 0.000 0.320 39 A C -0.292 177.159 177.584 -0.222 0.000 1.358 39 A CA -0.446 51.255 52.037 -0.562 0.000 0.910 39 A CB 0.831 19.586 19.000 -0.408 0.000 1.159 39 A HN 1.149 nan 8.150 nan 0.000 0.526 40 V N 0.729 120.575 119.914 -0.114 0.000 3.019 40 V HA 0.800 4.919 4.120 -0.000 0.000 0.317 40 V C -0.157 175.947 176.094 0.016 0.000 1.094 40 V CA -0.898 61.375 62.300 -0.047 0.000 1.000 40 V CB 1.600 33.398 31.823 -0.042 0.000 1.060 40 V HN 0.442 nan 8.190 nan 0.000 0.443 41 V N 2.545 122.467 119.914 0.012 0.000 2.432 41 V HA 0.681 4.801 4.120 -0.000 0.000 0.271 41 V C 1.066 177.175 176.094 0.024 0.000 1.046 41 V CA 0.906 63.221 62.300 0.025 0.000 0.945 41 V CB 0.393 32.219 31.823 0.004 0.000 0.992 41 V HN 1.289 nan 8.190 nan 0.000 0.471 42 G N 2.072 110.909 108.800 0.061 0.000 2.671 42 G HA2 0.364 4.324 3.960 -0.000 0.000 0.275 42 G HA3 0.364 4.324 3.960 -0.000 0.000 0.275 42 G C 0.330 175.265 174.900 0.059 0.000 1.368 42 G CA -0.313 44.844 45.100 0.094 0.000 1.044 42 G HN 0.748 nan 8.290 nan 0.000 0.543 43 H N -1.103 118.007 119.070 0.067 0.000 2.462 43 H HA 0.058 4.614 4.556 -0.000 0.000 0.292 43 H C 2.249 177.614 175.328 0.061 0.000 1.049 43 H CA 1.334 57.422 56.048 0.066 0.000 1.334 43 H CB 0.518 30.327 29.762 0.079 0.000 1.404 43 H HN 0.235 nan 8.280 nan 0.000 0.544 44 Q N -0.950 118.964 119.800 0.190 0.000 2.369 44 Q HA 0.470 4.810 4.340 -0.000 0.000 0.254 44 Q C 0.490 176.558 176.000 0.114 0.000 0.858 44 Q CA 0.601 56.484 55.803 0.132 0.000 0.961 44 Q CB 1.280 30.088 28.738 0.118 0.000 1.119 44 Q HN 0.326 nan 8.270 nan 0.000 0.538 45 A N 0.281 123.180 122.820 0.131 0.000 2.524 45 A HA 0.547 4.867 4.320 -0.000 0.000 0.286 45 A C -1.556 176.108 177.584 0.132 0.000 1.203 45 A CA -0.519 51.603 52.037 0.141 0.000 0.736 45 A CB 1.530 20.663 19.000 0.221 0.000 1.322 45 A HN -0.044 nan 8.150 nan 0.000 0.424 46 D N 0.044 120.516 120.400 0.120 0.000 2.453 46 D HA 0.416 5.056 4.640 -0.000 0.000 0.238 46 D C 1.246 177.640 176.300 0.157 0.000 1.088 46 D CA 0.356 54.413 54.000 0.095 0.000 0.854 46 D CB 1.419 42.241 40.800 0.037 0.000 1.076 46 D HN 0.613 nan 8.370 nan 0.000 0.533 47 G N 3.470 112.402 108.800 0.219 0.000 2.485 47 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.221 47 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.221 47 G C 1.461 176.562 174.900 0.334 0.000 1.115 47 G CA 0.402 45.725 45.100 0.371 0.000 0.751 47 G HN 0.496 nan 8.290 nan 0.000 0.567 48 R N -0.151 120.439 120.500 0.150 0.000 2.193 48 R HA 0.026 4.366 4.340 -0.000 0.000 0.229 48 R C 2.530 178.882 176.300 0.088 0.000 1.110 48 R CA 0.662 56.837 56.100 0.124 0.000 0.988 48 R CB -0.170 30.183 30.300 0.088 0.000 0.871 48 R HN 0.308 nan 8.270 nan 0.000 0.458 49 R N -0.551 119.926 120.500 -0.039 0.000 2.280 49 R HA -0.088 4.252 4.340 -0.000 0.000 0.207 49 R C 0.612 176.715 176.300 -0.330 0.000 1.043 49 R CA 0.891 56.854 56.100 -0.228 0.000 1.006 49 R CB 0.104 30.169 30.300 -0.391 0.000 0.885 49 R HN 0.299 nan 8.270 nan 0.000 0.467 50 Y N -0.439 119.940 120.300 0.132 0.000 2.485 50 Y HA 0.198 4.748 4.550 -0.000 0.000 0.260 50 Y C 1.610 177.547 175.900 0.061 0.000 1.173 50 Y CA -0.434 57.707 58.100 0.068 0.000 1.252 50 Y CB -0.033 38.447 38.460 0.032 0.000 1.123 50 Y HN -0.040 nan 8.280 nan 0.000 0.524 51 I N 0.970 121.698 120.570 0.263 0.000 2.226 51 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 51 I C -0.576 175.621 176.117 0.133 0.000 1.100 51 I CA 1.110 62.564 61.300 0.257 0.000 1.374 51 I CB -1.104 37.027 38.000 0.219 0.000 1.057 51 I HN 0.133 nan 8.210 nan 0.000 0.413 52 P HA -0.178 nan 4.420 nan 0.000 0.216 52 P C 1.443 178.772 177.300 0.048 0.000 1.150 52 P CA 1.392 64.543 63.100 0.085 0.000 0.837 52 P CB -0.011 31.729 31.700 0.068 0.000 0.786 53 Q N -0.804 119.016 119.800 0.034 0.000 2.079 53 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 53 Q C 2.251 178.213 176.000 -0.064 0.000 0.974 53 Q CA 1.533 57.334 55.803 -0.003 0.000 0.840 53 Q CB -0.718 28.035 28.738 0.025 0.000 0.898 53 Q HN 0.164 nan 8.270 nan 0.000 0.430 54 A N 1.037 123.781 122.820 -0.126 0.000 1.902 54 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 54 A C 2.047 179.603 177.584 -0.045 0.000 1.181 54 A CA 1.233 53.155 52.037 -0.193 0.000 0.623 54 A CB -0.659 18.148 19.000 -0.323 0.000 0.818 54 A HN 0.304 nan 8.150 nan 0.000 0.443 55 I N -0.277 120.307 120.570 0.022 0.000 2.226 55 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 55 I C 2.925 179.054 176.117 0.019 0.000 1.100 55 I CA 1.026 62.360 61.300 0.056 0.000 1.374 55 I CB -0.331 37.745 38.000 0.127 0.000 1.057 55 I HN 0.352 nan 8.210 nan 0.000 0.413 56 A N 0.000 122.819 122.820 -0.002 0.000 2.019 56 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 56 A C 2.140 179.709 177.584 -0.024 0.000 1.164 56 A CA 1.468 53.491 52.037 -0.023 0.000 0.644 56 A CB -0.511 18.474 19.000 -0.025 0.000 0.805 56 A HN 0.515 nan 8.150 nan 0.000 0.449 57 Q N -1.736 118.046 119.800 -0.029 0.000 2.403 57 Q HA 0.273 4.613 4.340 -0.000 0.000 0.203 57 Q C 0.998 176.988 176.000 -0.016 0.000 0.932 57 Q CA 0.359 56.143 55.803 -0.032 0.000 0.945 57 Q CB 0.146 28.850 28.738 -0.057 0.000 1.045 57 Q HN 0.867 nan 8.270 nan 0.000 0.511 58 G N 1.131 109.928 108.800 -0.004 0.000 2.132 58 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.228 58 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.228 58 G C 0.311 175.224 174.900 0.021 0.000 1.000 58 G CA 0.118 45.224 45.100 0.010 0.000 0.693 58 G HN 0.388 nan 8.290 nan 0.000 0.515 59 V N -2.090 117.838 119.914 0.024 0.000 3.032 59 V HA 0.617 4.737 4.120 -0.000 0.000 0.307 59 V C 1.586 177.711 176.094 0.052 0.000 1.097 59 V CA 0.989 63.315 62.300 0.043 0.000 1.191 59 V CB 0.930 32.794 31.823 0.069 0.000 0.964 59 V HN 1.481 nan 8.190 nan 0.000 0.494 60 A N 3.044 125.896 122.820 0.053 0.000 1.975 60 A HA 0.712 5.032 4.320 -0.000 0.000 0.215 60 A C 1.227 178.840 177.584 0.048 0.000 1.170 60 A CA 1.047 53.114 52.037 0.049 0.000 0.656 60 A CB -0.311 18.718 19.000 0.049 0.000 0.821 60 A HN 2.160 nan 8.150 nan 0.000 0.449 61 A N -1.477 121.374 122.820 0.051 0.000 2.610 61 A HA 0.714 5.034 4.320 -0.000 0.000 0.291 61 A C -1.383 176.222 177.584 0.034 0.000 1.086 61 A CA -0.438 51.620 52.037 0.035 0.000 0.677 61 A CB 0.703 19.717 19.000 0.023 0.000 1.278 61 A HN 0.264 nan 8.150 nan 0.000 0.414 62 I N 0.630 121.194 120.570 -0.011 0.000 2.619 62 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 62 I C -1.173 174.842 176.117 -0.170 0.000 1.100 62 I CA -0.303 60.961 61.300 -0.060 0.000 1.043 62 I CB 2.125 40.118 38.000 -0.012 0.000 1.239 62 I HN 0.509 nan 8.210 nan 0.000 0.420 63 I N 4.959 125.390 120.570 -0.231 0.000 2.406 63 I HA 0.700 4.870 4.170 -0.000 0.000 0.290 63 I C -0.143 175.775 176.117 -0.333 0.000 0.999 63 I CA -0.332 60.815 61.300 -0.255 0.000 1.124 63 I CB 1.848 39.731 38.000 -0.194 0.000 1.289 63 I HN 0.636 nan 8.210 nan 0.000 0.441 64 A N 4.623 127.215 122.820 -0.379 0.000 2.454 64 A HA 0.636 4.956 4.320 -0.000 0.000 0.302 64 A C -0.695 176.811 177.584 -0.131 0.000 1.079 64 A CA -0.627 51.220 52.037 -0.316 0.000 0.731 64 A CB 1.604 20.356 19.000 -0.414 0.000 1.299 64 A HN 0.646 nan 8.150 nan 0.000 0.413 65 E N 1.033 121.207 120.200 -0.044 0.000 2.415 65 E HA 0.371 4.720 4.350 -0.000 0.000 0.263 65 E C 0.912 177.606 176.600 0.157 0.000 0.995 65 E CA 0.789 57.203 56.400 0.023 0.000 0.915 65 E CB 1.044 30.745 29.700 0.002 0.000 0.951 65 E HN 0.731 nan 8.360 nan 0.000 0.449 66 A N 5.333 128.231 122.820 0.129 0.000 2.021 66 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 66 A C 1.019 178.614 177.584 0.019 0.000 1.163 66 A CA 0.414 52.525 52.037 0.122 0.000 0.676 66 A CB -0.302 18.742 19.000 0.074 0.000 0.818 66 A HN 0.610 nan 8.150 nan 0.000 0.453 67 K N 1.086 121.493 120.400 0.011 0.000 2.511 67 K HA -0.084 4.236 4.320 -0.000 0.000 0.277 67 K C -0.514 176.073 176.600 -0.021 0.000 1.025 67 K CA 0.832 57.112 56.287 -0.011 0.000 1.112 67 K CB -0.037 32.456 32.500 -0.010 0.000 0.859 67 K HN 0.408 nan 8.250 nan 0.000 0.485 68 D N 2.002 122.381 120.400 -0.035 0.000 3.059 68 D HA -0.211 4.429 4.640 -0.000 0.000 0.213 68 D C 0.474 176.736 176.300 -0.065 0.000 1.144 68 D CA 1.741 55.716 54.000 -0.041 0.000 0.975 68 D CB -0.376 40.408 40.800 -0.027 0.000 1.125 68 D HN 0.758 nan 8.370 nan 0.000 0.412 69 E N -0.617 119.522 120.200 -0.102 0.000 2.502 69 E HA 0.478 4.828 4.350 -0.000 0.000 0.206 69 E C -0.069 176.341 176.600 -0.318 0.000 0.821 69 E CA 0.968 57.258 56.400 -0.183 0.000 1.354 69 E CB 0.996 30.594 29.700 -0.170 0.000 1.336 69 E HN 0.319 nan 8.360 nan 0.000 0.675 70 A N -0.475 122.156 122.820 -0.316 0.000 2.588 70 A HA 0.634 4.954 4.320 -0.000 0.000 0.290 70 A C -0.532 176.962 177.584 -0.150 0.000 1.136 70 A CA -0.254 51.581 52.037 -0.336 0.000 0.681 70 A CB 0.727 19.291 19.000 -0.727 0.000 1.282 70 A HN 0.147 nan 8.150 nan 0.000 0.421 71 T N -1.362 113.133 114.554 -0.098 0.000 2.899 71 T HA 0.512 4.862 4.350 -0.000 0.000 0.284 71 T C -0.102 174.601 174.700 0.006 0.000 1.004 71 T CA -0.072 62.006 62.100 -0.036 0.000 1.043 71 T CB 0.871 69.724 68.868 -0.025 0.000 1.013 71 T HN 0.679 nan 8.240 nan 0.000 0.518 72 D N 0.351 120.761 120.400 0.015 0.000 2.493 72 D HA 0.375 5.014 4.640 -0.000 0.000 0.240 72 D C 1.564 177.896 176.300 0.053 0.000 1.142 72 D CA 1.608 55.629 54.000 0.035 0.000 0.872 72 D CB -0.346 40.464 40.800 0.018 0.000 1.173 72 D HN 1.074 nan 8.370 nan 0.000 0.467 73 G N 2.902 111.746 108.800 0.074 0.000 2.159 73 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.256 73 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.256 73 G C 0.325 175.279 174.900 0.090 0.000 0.977 73 G CA 0.304 45.453 45.100 0.082 0.000 0.652 73 G HN 0.686 nan 8.290 nan 0.000 0.531 74 E N 0.050 120.319 120.200 0.115 0.000 2.392 74 E HA 0.459 4.809 4.350 -0.000 0.000 0.264 74 E C 0.292 177.000 176.600 0.180 0.000 1.024 74 E CA -0.313 56.158 56.400 0.119 0.000 0.903 74 E CB 0.244 29.989 29.700 0.074 0.000 0.963 74 E HN 0.392 nan 8.360 nan 0.000 0.432 75 I N 4.708 125.352 120.570 0.123 0.000 2.406 75 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 75 I C 0.171 176.352 176.117 0.107 0.000 0.999 75 I CA -0.629 60.736 61.300 0.108 0.000 1.124 75 I CB 1.597 39.634 38.000 0.061 0.000 1.289 75 I HN 0.467 nan 8.210 nan 0.000 0.441 76 R N 3.869 124.443 120.500 0.124 0.000 2.905 76 R HA 0.714 5.054 4.340 -0.000 0.000 0.260 76 R C -1.037 175.295 176.300 0.053 0.000 1.086 76 R CA -0.896 55.264 56.100 0.099 0.000 0.978 76 R CB 2.830 33.232 30.300 0.171 0.000 1.215 76 R HN 0.590 nan 8.270 nan 0.000 0.480 80 G N 0.551 109.397 108.800 0.078 0.000 2.184 80 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.264 80 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.264 80 G C 0.191 175.122 174.900 0.052 0.000 0.975 80 G CA 0.461 45.596 45.100 0.059 0.000 0.642 80 G HN 0.287 nan 8.290 nan 0.000 0.536 81 V N 2.122 122.070 119.914 0.057 0.000 2.370 81 V HA 0.457 4.577 4.120 -0.000 0.000 0.279 81 V C -1.804 174.307 176.094 0.027 0.000 1.029 81 V CA -1.672 60.658 62.300 0.049 0.000 0.870 81 V CB 1.696 33.562 31.823 0.071 0.000 0.984 81 V HN 0.080 nan 8.190 nan 0.000 0.451 82 P HA 0.212 nan 4.420 nan 0.000 0.271 82 P C -0.821 176.468 177.300 -0.019 0.000 1.220 82 P CA -0.013 63.091 63.100 0.006 0.000 0.768 82 P CB 0.761 32.467 31.700 0.009 0.000 0.848 83 V N 5.770 125.660 119.914 -0.039 0.000 2.376 83 V HA 0.300 4.420 4.120 -0.000 0.000 0.287 83 V C 0.026 176.001 176.094 -0.199 0.000 1.015 83 V CA -0.431 61.782 62.300 -0.145 0.000 0.834 83 V CB 1.046 32.788 31.823 -0.135 0.000 1.001 83 V HN 0.346 nan 8.190 nan 0.000 0.428 84 I N 5.319 125.746 120.570 -0.240 0.000 2.336 84 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 84 I C -0.509 175.432 176.117 -0.293 0.000 0.991 84 I CA -0.340 60.867 61.300 -0.155 0.000 1.227 84 I CB 1.041 39.002 38.000 -0.064 0.000 1.366 84 I HN 0.414 nan 8.210 nan 0.000 0.466 85 Y N 6.334 126.620 120.300 -0.024 0.000 2.320 85 Y HA 0.666 5.216 4.550 -0.000 0.000 0.334 85 Y C -0.196 175.680 175.900 -0.041 0.000 1.055 85 Y CA -0.477 57.602 58.100 -0.036 0.000 1.143 85 Y CB 1.059 39.502 38.460 -0.029 0.000 1.193 85 Y HN 0.306 nan 8.280 nan 0.000 0.477 86 L N 3.089 124.345 121.223 0.055 0.000 2.381 86 L HA 0.542 4.882 4.340 -0.000 0.000 0.268 86 L C -0.277 176.585 176.870 -0.014 0.000 0.997 86 L CA -0.984 53.852 54.840 -0.005 0.000 0.818 86 L CB 2.276 44.284 42.059 -0.085 0.000 1.310 86 L HN 0.638 nan 8.230 nan 0.000 0.416 87 S N 1.185 116.869 115.700 -0.027 0.000 2.632 87 S HA 0.275 4.744 4.470 -0.000 0.000 0.271 87 S C 0.066 174.621 174.600 -0.075 0.000 1.260 87 S CA -0.594 57.585 58.200 -0.036 0.000 1.010 87 S CB 1.402 64.585 63.200 -0.028 0.000 0.965 87 S HN 0.628 nan 8.310 nan 0.000 0.534 88 Q N -0.500 119.256 119.800 -0.074 0.000 2.453 88 Q HA -0.177 4.163 4.340 -0.000 0.000 0.294 88 Q C 0.485 176.404 176.000 -0.136 0.000 1.295 88 Q CA 0.503 56.243 55.803 -0.105 0.000 0.853 88 Q CB -2.384 26.284 28.738 -0.117 0.000 1.193 88 Q HN 0.781 nan 8.270 nan 0.000 0.461 89 L N 0.739 121.894 121.223 -0.114 0.000 2.042 89 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 89 L C 1.818 178.611 176.870 -0.128 0.000 1.076 89 L CA 2.319 57.081 54.840 -0.130 0.000 0.749 89 L CB -0.437 41.556 42.059 -0.110 0.000 0.893 89 L HN 0.329 nan 8.230 nan 0.000 0.432 90 N N -0.115 118.526 118.700 -0.098 0.000 2.149 90 N HA -0.211 4.529 4.740 -0.000 0.000 0.188 90 N C 1.623 177.059 175.510 -0.123 0.000 1.019 90 N CA 1.591 54.606 53.050 -0.060 0.000 0.857 90 N CB -0.123 38.366 38.487 0.004 0.000 0.997 90 N HN 0.459 nan 8.380 nan 0.000 0.426 91 E N 0.415 120.449 120.200 -0.277 0.000 2.208 91 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 91 E C 1.538 177.981 176.600 -0.262 0.000 0.988 91 E CA 0.808 56.925 56.400 -0.471 0.000 0.828 91 E CB 0.009 29.396 29.700 -0.522 0.000 0.763 91 E HN 0.488 nan 8.360 nan 0.000 0.478 92 R N -0.245 120.124 120.500 -0.219 0.000 2.365 92 R HA 0.298 4.637 4.340 -0.000 0.000 0.223 92 R C 1.937 178.121 176.300 -0.193 0.000 0.899 92 R CA -0.152 55.808 56.100 -0.233 0.000 1.059 92 R CB -0.060 30.038 30.300 -0.337 0.000 1.086 92 R HN 0.066 nan 8.270 nan 0.000 0.522 93 L N 0.973 122.115 121.223 -0.135 0.000 1.978 93 L HA -0.294 4.046 4.340 -0.000 0.000 0.218 93 L C 2.578 179.425 176.870 -0.039 0.000 1.075 93 L CA 1.890 56.679 54.840 -0.084 0.000 0.767 93 L CB -0.486 41.548 42.059 -0.042 0.000 0.890 93 L HN 0.271 nan 8.230 nan 0.000 0.434 94 S N -0.919 114.778 115.700 -0.005 0.000 2.370 94 S HA -0.213 4.257 4.470 -0.000 0.000 0.226 94 S C 2.026 176.636 174.600 0.015 0.000 1.033 94 S CA 1.353 59.570 58.200 0.029 0.000 1.011 94 S CB -0.128 63.108 63.200 0.059 0.000 0.852 94 S HN 0.487 nan 8.310 nan 0.000 0.457 95 A N 1.094 123.899 122.820 -0.026 0.000 1.902 95 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 95 A C 2.143 179.721 177.584 -0.011 0.000 1.181 95 A CA 1.594 53.618 52.037 -0.021 0.000 0.623 95 A CB -0.893 18.063 19.000 -0.073 0.000 0.818 95 A HN 0.544 nan 8.150 nan 0.000 0.443 96 L N -0.234 120.937 121.223 -0.087 0.000 2.017 96 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 96 L C 2.724 179.624 176.870 0.049 0.000 1.073 96 L CA 2.234 57.039 54.840 -0.058 0.000 0.745 96 L CB -0.695 41.282 42.059 -0.136 0.000 0.894 96 L HN 0.347 nan 8.230 nan 0.000 0.432 97 A N -0.900 121.955 122.820 0.059 0.000 1.969 97 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 97 A C 2.319 180.064 177.584 0.268 0.000 1.169 97 A CA 1.317 53.457 52.037 0.172 0.000 0.635 97 A CB -1.447 17.658 19.000 0.175 0.000 0.810 97 A HN 0.520 nan 8.150 nan 0.000 0.445 98 G N -0.514 108.384 108.800 0.162 0.000 2.418 98 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.217 98 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.217 98 G C 1.747 176.714 174.900 0.112 0.000 1.158 98 G CA 1.026 46.211 45.100 0.142 0.000 0.771 98 G HN 0.552 nan 8.290 nan 0.000 0.545 99 R N -0.809 119.746 120.500 0.092 0.000 2.075 99 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 99 R C 2.249 178.478 176.300 -0.119 0.000 1.126 99 R CA 1.115 57.228 56.100 0.022 0.000 0.963 99 R CB -0.429 29.947 30.300 0.127 0.000 0.858 99 R HN 0.351 nan 8.270 nan 0.000 0.435 100 F N 0.036 119.864 119.950 -0.204 0.000 2.126 100 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 100 F C 0.916 176.386 175.800 -0.550 0.000 1.096 100 F CA 1.497 59.257 58.000 -0.400 0.000 1.255 100 F CB -0.009 38.712 39.000 -0.464 0.000 0.997 100 F HN 0.045 nan 8.300 nan 0.000 0.479 101 Y N -0.364 119.981 120.300 0.075 0.000 2.532 101 Y HA 0.175 4.725 4.550 -0.000 0.000 0.283 101 Y C -0.021 175.960 175.900 0.135 0.000 1.181 101 Y CA -0.021 58.150 58.100 0.117 0.000 1.256 101 Y CB -1.310 37.267 38.460 0.195 0.000 1.112 101 Y HN 0.180 nan 8.280 nan 0.000 0.521 102 H N -0.326 118.786 119.070 0.071 0.000 2.819 102 H HA -0.158 4.397 4.556 -0.000 0.000 0.315 102 H C -0.434 174.926 175.328 0.053 0.000 1.242 102 H CA 0.348 56.417 56.048 0.036 0.000 1.157 102 H CB -1.952 27.813 29.762 0.005 0.000 1.451 102 H HN 0.158 nan 8.280 nan 0.000 0.430 103 E N -3.258 117.012 120.200 0.116 0.000 2.246 103 E HA -0.187 4.162 4.350 -0.000 0.000 0.173 103 E C -1.620 175.017 176.600 0.063 0.000 1.532 103 E CA 0.893 57.336 56.400 0.072 0.000 0.672 103 E CB -0.784 28.937 29.700 0.036 0.000 1.078 103 E HN 0.499 nan 8.360 nan 0.000 0.338 104 P HA -0.178 nan 4.420 nan 0.000 0.216 104 P C 1.533 178.828 177.300 -0.009 0.000 1.150 104 P CA 1.844 64.972 63.100 0.048 0.000 0.837 104 P CB -0.002 31.728 31.700 0.050 0.000 0.786 105 S N -1.613 114.058 115.700 -0.048 0.000 2.500 105 S HA -0.118 4.352 4.470 -0.000 0.000 0.239 105 S C 1.375 175.924 174.600 -0.084 0.000 0.989 105 S CA 1.064 59.202 58.200 -0.104 0.000 0.951 105 S CB -0.966 62.119 63.200 -0.192 0.000 0.759 105 S HN 0.096 nan 8.310 nan 0.000 0.523 106 D N 1.526 121.894 120.400 -0.052 0.000 2.339 106 D HA 0.139 4.779 4.640 -0.000 0.000 0.217 106 D C 0.557 176.846 176.300 -0.018 0.000 1.050 106 D CA 0.191 54.166 54.000 -0.043 0.000 0.856 106 D CB -0.063 40.714 40.800 -0.037 0.000 0.922 106 D HN 0.423 nan 8.370 nan 0.000 0.518 107 N N 0.472 119.167 118.700 -0.008 0.000 2.204 107 N HA 0.121 4.861 4.740 -0.000 0.000 0.219 107 N C -0.101 175.415 175.510 0.009 0.000 1.151 107 N CA 0.059 53.112 53.050 0.006 0.000 0.867 107 N CB 1.464 39.960 38.487 0.016 0.000 1.043 107 N HN 0.156 nan 8.380 nan 0.000 0.516 108 L N -3.179 118.042 121.223 -0.003 0.000 2.671 108 L HA 0.529 4.869 4.340 -0.000 0.000 0.259 108 L C -0.602 176.252 176.870 -0.027 0.000 1.021 108 L CA -1.094 53.748 54.840 0.004 0.000 0.871 108 L CB 1.381 43.442 42.059 0.003 0.000 1.472 108 L HN -0.300 nan 8.230 nan 0.000 0.410 109 R N 1.071 121.555 120.500 -0.026 0.000 2.210 109 R HA 0.625 4.964 4.340 -0.000 0.000 0.338 109 R C -1.191 174.934 176.300 -0.291 0.000 1.062 109 R CA -0.586 55.459 56.100 -0.092 0.000 0.902 109 R CB 0.830 31.140 30.300 0.017 0.000 1.050 109 R HN 0.645 nan 8.270 nan 0.000 0.461 110 L N 4.966 126.076 121.223 -0.189 0.000 2.287 110 L HA 0.372 4.711 4.340 -0.000 0.000 0.287 110 L C -1.039 175.817 176.870 -0.022 0.000 1.022 110 L CA -0.479 54.255 54.840 -0.176 0.000 0.814 110 L CB 1.865 43.823 42.059 -0.168 0.000 1.217 110 L HN 0.251 nan 8.230 nan 0.000 0.420 111 V N 4.718 124.580 119.914 -0.087 0.000 2.417 111 V HA 0.746 4.866 4.120 -0.000 0.000 0.291 111 V C 0.572 176.737 176.094 0.118 0.000 1.024 111 V CA -0.407 61.915 62.300 0.037 0.000 0.861 111 V CB 1.376 33.174 31.823 -0.041 0.000 0.985 111 V HN 0.901 nan 8.190 nan 0.000 0.436 112 G N 3.286 112.089 108.800 0.006 0.000 2.356 112 G HA2 0.621 4.581 3.960 -0.000 0.000 0.322 112 G HA3 0.621 4.581 3.960 -0.000 0.000 0.322 112 G C -1.139 173.655 174.900 -0.177 0.000 1.125 112 G CA -0.433 44.529 45.100 -0.229 0.000 0.885 112 G HN 0.558 nan 8.290 nan 0.000 0.467 113 V N 1.243 121.109 119.914 -0.080 0.000 2.483 113 V HA 0.657 4.777 4.120 -0.000 0.000 0.297 113 V C 0.152 176.253 176.094 0.012 0.000 1.027 113 V CA -0.605 61.688 62.300 -0.011 0.000 0.855 113 V CB 1.489 33.328 31.823 0.027 0.000 0.995 113 V HN 0.838 nan 8.190 nan 0.000 0.424 114 T N 2.656 117.250 114.554 0.067 0.000 2.916 114 T HA 0.937 5.287 4.350 -0.000 0.000 0.292 114 T C -0.253 174.529 174.700 0.135 0.000 1.064 114 T CA 0.306 62.483 62.100 0.128 0.000 1.011 114 T CB 1.833 70.802 68.868 0.169 0.000 1.152 114 T HN 1.567 nan 8.240 nan 0.000 0.510 115 G N 0.856 109.737 108.800 0.135 0.000 2.333 115 G HA2 0.180 4.139 3.960 -0.000 0.000 0.330 115 G HA3 0.180 4.139 3.960 -0.000 0.000 0.330 115 G C 0.455 175.412 174.900 0.096 0.000 1.465 115 G CA 0.176 45.262 45.100 -0.023 0.000 0.996 115 G HN 0.669 nan 8.290 nan 0.000 0.655 116 T N 0.226 114.827 114.554 0.079 0.000 2.737 116 T HA 0.015 4.365 4.350 -0.000 0.000 0.265 116 T C 1.007 175.786 174.700 0.133 0.000 1.038 116 T CA 1.856 64.073 62.100 0.195 0.000 1.144 116 T CB -0.266 68.702 68.868 0.166 0.000 0.866 116 T HN 0.557 nan 8.240 nan 0.000 0.434 117 N N -1.178 117.574 118.700 0.087 0.000 2.265 117 N HA 0.506 5.246 4.740 -0.000 0.000 0.300 117 N C 0.527 176.237 175.510 0.334 0.000 1.148 117 N CA -0.097 53.042 53.050 0.149 0.000 0.772 117 N CB 2.053 40.521 38.487 -0.031 0.000 1.434 117 N HN 0.193 nan 8.380 nan 0.000 0.481 118 G N 0.052 109.150 108.800 0.497 0.000 2.157 118 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.248 118 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.248 118 G C 0.776 175.754 174.900 0.131 0.000 0.979 118 G CA 0.497 45.812 45.100 0.359 0.000 0.650 118 G HN 0.564 nan 8.290 nan 0.000 0.529 119 K N -0.231 120.255 120.400 0.143 0.000 2.057 119 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 119 K C 2.549 179.193 176.600 0.073 0.000 1.049 119 K CA 1.775 58.117 56.287 0.091 0.000 0.931 119 K CB -0.428 32.136 32.500 0.107 0.000 0.714 119 K HN 0.361 nan 8.250 nan 0.000 0.440 120 T N 1.004 115.612 114.554 0.089 0.000 2.674 120 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 120 T C 2.069 176.785 174.700 0.028 0.000 1.039 120 T CA 1.918 64.042 62.100 0.040 0.000 1.150 120 T CB -0.485 68.385 68.868 0.004 0.000 0.864 120 T HN 0.261 nan 8.240 nan 0.000 0.427 121 T N 1.864 116.443 114.554 0.042 0.000 2.746 121 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 121 T C 2.293 176.976 174.700 -0.028 0.000 1.039 121 T CA 1.674 63.774 62.100 -0.000 0.000 1.142 121 T CB -0.693 68.166 68.868 -0.016 0.000 0.866 121 T HN 0.416 nan 8.240 nan 0.000 0.444 122 T N 2.025 116.564 114.554 -0.026 0.000 2.746 122 T HA -0.131 4.218 4.350 -0.000 0.000 0.267 122 T C 2.490 177.209 174.700 0.031 0.000 1.039 122 T CA 1.851 63.942 62.100 -0.016 0.000 1.142 122 T CB -0.728 68.128 68.868 -0.021 0.000 0.866 122 T HN 0.695 nan 8.240 nan 0.000 0.444 123 T N 0.866 115.445 114.554 0.041 0.000 2.821 123 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 123 T C 1.959 176.702 174.700 0.070 0.000 1.046 123 T CA 0.720 62.861 62.100 0.070 0.000 1.139 123 T CB -0.284 68.619 68.868 0.059 0.000 0.871 123 T HN 0.178 nan 8.240 nan 0.000 0.454 124 Q N 0.957 120.776 119.800 0.031 0.000 2.119 124 Q HA 0.158 4.497 4.340 -0.000 0.000 0.201 124 Q C 2.527 178.525 176.000 -0.004 0.000 0.972 124 Q CA 0.893 56.703 55.803 0.012 0.000 0.847 124 Q CB -0.474 28.257 28.738 -0.011 0.000 0.903 124 Q HN 0.549 nan 8.270 nan 0.000 0.433 125 L N 0.048 121.263 121.223 -0.012 0.000 2.093 125 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 125 L C 2.401 179.309 176.870 0.064 0.000 1.085 125 L CA 0.639 55.458 54.840 -0.035 0.000 0.755 125 L CB -0.436 41.590 42.059 -0.055 0.000 0.904 125 L HN 0.171 nan 8.230 nan 0.000 0.435 126 L N -0.326 120.963 121.223 0.109 0.000 2.046 126 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 126 L C 2.868 179.758 176.870 0.032 0.000 1.077 126 L CA 1.295 56.219 54.840 0.141 0.000 0.747 126 L CB -0.655 41.558 42.059 0.258 0.000 0.896 126 L HN 0.238 nan 8.230 nan 0.000 0.432 127 A N -0.715 122.167 122.820 0.103 0.000 1.898 127 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 127 A C 2.214 179.761 177.584 -0.062 0.000 1.181 127 A CA 1.400 53.468 52.037 0.053 0.000 0.620 127 A CB -0.436 18.635 19.000 0.118 0.000 0.819 127 A HN 0.451 nan 8.150 nan 0.000 0.442 128 Q N -1.770 118.003 119.800 -0.045 0.000 2.050 128 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 128 Q C 2.072 178.031 176.000 -0.068 0.000 0.980 128 Q CA 1.474 57.229 55.803 -0.080 0.000 0.840 128 Q CB -0.235 28.428 28.738 -0.125 0.000 0.898 128 Q HN 0.855 nan 8.270 nan 0.000 0.424 129 W N 1.336 122.491 121.300 -0.241 0.000 2.354 129 W HA -0.183 4.476 4.660 -0.000 0.000 0.315 129 W C 2.692 178.964 176.519 -0.411 0.000 1.206 129 W CA 2.000 59.168 57.345 -0.295 0.000 1.290 129 W CB -0.908 28.368 29.460 -0.307 0.000 1.152 129 W HN 0.229 nan 8.180 nan 0.000 0.489 130 S N -0.268 115.219 115.700 -0.355 0.000 2.383 130 S HA -0.320 4.150 4.470 -0.000 0.000 0.229 130 S C 1.793 176.178 174.600 -0.358 0.000 1.030 130 S CA 1.706 59.497 58.200 -0.681 0.000 1.002 130 S CB -0.941 61.449 63.200 -1.351 0.000 0.829 130 S HN 0.507 nan 8.310 nan 0.000 0.467 131 Q N 0.871 120.540 119.800 -0.219 0.000 2.119 131 Q HA 0.075 4.415 4.340 -0.000 0.000 0.201 131 Q C 2.070 178.025 176.000 -0.076 0.000 0.972 131 Q CA 1.183 56.919 55.803 -0.112 0.000 0.847 131 Q CB -0.318 28.378 28.738 -0.071 0.000 0.903 131 Q HN 0.639 nan 8.270 nan 0.000 0.433 132 L N 0.221 121.408 121.223 -0.060 0.000 2.362 132 L HA -0.088 4.251 4.340 -0.000 0.000 0.219 132 L C 1.275 178.135 176.870 -0.016 0.000 1.134 132 L CA 0.182 55.010 54.840 -0.020 0.000 0.807 132 L CB 0.012 42.085 42.059 0.023 0.000 0.927 132 L HN 0.326 nan 8.230 nan 0.000 0.447 133 L N -0.074 121.108 121.223 -0.068 0.000 2.685 133 L HA 0.257 4.596 4.340 -0.000 0.000 0.233 133 L C 1.054 177.910 176.870 -0.023 0.000 1.173 133 L CA 0.624 55.423 54.840 -0.068 0.000 0.961 133 L CB -0.726 41.216 42.059 -0.195 0.000 1.217 133 L HN 0.413 nan 8.230 nan 0.000 0.478 134 G N 0.827 109.613 108.800 -0.023 0.000 2.248 134 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.252 134 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.252 134 G C 0.008 174.915 174.900 0.012 0.000 1.085 134 G CA -0.145 44.956 45.100 0.001 0.000 0.845 134 G HN 0.429 nan 8.290 nan 0.000 0.494 135 E N -0.925 119.268 120.200 -0.012 0.000 2.367 135 E HA 0.474 4.824 4.350 -0.000 0.000 0.273 135 E C -0.131 176.477 176.600 0.013 0.000 0.903 135 E CA -1.115 55.295 56.400 0.016 0.000 0.764 135 E CB 2.016 31.725 29.700 0.015 0.000 1.252 135 E HN 0.215 nan 8.360 nan 0.000 0.446 136 I N 2.637 123.236 120.570 0.048 0.000 2.294 136 I HA 0.047 4.216 4.170 -0.000 0.000 0.295 136 I C 0.462 176.632 176.117 0.089 0.000 1.098 136 I CA 0.016 61.346 61.300 0.050 0.000 1.277 136 I CB 0.258 38.288 38.000 0.050 0.000 1.434 136 I HN 0.355 nan 8.210 nan 0.000 0.498 137 S N 5.417 121.164 115.700 0.078 0.000 2.681 137 S HA 0.914 5.384 4.470 -0.000 0.000 0.299 137 S C -0.376 174.300 174.600 0.126 0.000 1.113 137 S CA -0.675 57.618 58.200 0.154 0.000 1.013 137 S CB 2.501 65.769 63.200 0.115 0.000 1.076 137 S HN 0.634 nan 8.310 nan 0.000 0.534 138 A N 0.545 123.464 122.820 0.165 0.000 2.527 138 A HA 0.916 5.236 4.320 -0.000 0.000 0.293 138 A C -0.284 177.365 177.584 0.108 0.000 1.117 138 A CA -0.461 51.635 52.037 0.100 0.000 0.723 138 A CB 1.258 20.297 19.000 0.065 0.000 1.313 138 A HN 1.964 nan 8.150 nan 0.000 0.411 142 T N 0.566 115.087 114.554 -0.056 0.000 2.720 142 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 142 T C 2.364 176.910 174.700 -0.257 0.000 1.037 142 T CA 2.500 64.537 62.100 -0.105 0.000 1.144 142 T CB -0.416 68.384 68.868 -0.114 0.000 0.864 142 T HN 1.289 nan 8.240 nan 0.000 0.444 143 V N -1.259 118.455 119.914 -0.333 0.000 3.646 143 V HA 0.634 4.754 4.120 -0.000 0.000 0.277 143 V C 0.793 176.808 176.094 -0.131 0.000 1.274 143 V CA 0.095 62.187 62.300 -0.348 0.000 1.164 143 V CB -1.151 30.469 31.823 -0.339 0.000 0.926 143 V HN 0.610 nan 8.190 nan 0.000 0.442 144 G N 0.223 108.973 108.800 -0.083 0.000 2.362 144 G HA2 0.059 4.018 3.960 -0.000 0.000 0.656 144 G HA3 0.059 4.018 3.960 -0.000 0.000 0.656 144 G C -1.588 173.294 174.900 -0.029 0.000 1.376 144 G CA -0.627 44.448 45.100 -0.041 0.000 0.971 144 G HN 0.394 nan 8.290 nan 0.000 0.636 145 N N -0.135 118.551 118.700 -0.024 0.000 2.269 145 N HA 0.911 5.651 4.740 -0.000 0.000 0.304 145 N C 0.486 175.985 175.510 -0.019 0.000 1.072 145 N CA 0.660 53.698 53.050 -0.021 0.000 0.802 145 N CB 1.907 40.375 38.487 -0.031 0.000 1.348 145 N HN 2.027 nan 8.380 nan 0.000 0.484 146 G N -0.338 108.457 108.800 -0.009 0.000 2.369 146 G HA2 0.064 4.023 3.960 -0.000 0.000 0.295 146 G HA3 0.064 4.023 3.960 -0.000 0.000 0.295 146 G C -1.494 173.413 174.900 0.012 0.000 1.298 146 G CA -1.027 44.070 45.100 -0.005 0.000 0.940 146 G HN 0.406 nan 8.290 nan 0.000 0.536 147 L N 0.562 121.794 121.223 0.015 0.000 2.467 147 L HA 0.306 4.646 4.340 -0.000 0.000 0.270 147 L C 1.280 178.164 176.870 0.024 0.000 1.205 147 L CA -0.538 54.317 54.840 0.026 0.000 0.828 147 L CB 0.506 42.579 42.059 0.023 0.000 1.101 147 L HN 0.492 nan 8.230 nan 0.000 0.479 148 L N 2.496 123.737 121.223 0.030 0.000 2.559 148 L HA -0.063 4.277 4.340 -0.000 0.000 0.282 148 L C 1.295 178.177 176.870 0.020 0.000 1.232 148 L CA 1.114 55.967 54.840 0.022 0.000 0.885 148 L CB 0.178 42.245 42.059 0.013 0.000 1.131 148 L HN 1.006 nan 8.230 nan 0.000 0.498 149 G N 3.022 111.838 108.800 0.026 0.000 2.184 149 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.264 149 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.264 149 G C 0.521 175.436 174.900 0.025 0.000 0.975 149 G CA 0.525 45.646 45.100 0.036 0.000 0.642 149 G HN 0.687 nan 8.290 nan 0.000 0.536 150 K N -0.038 120.373 120.400 0.017 0.000 3.209 150 K HA 0.417 4.736 4.320 -0.000 0.000 0.202 150 K C 0.336 176.938 176.600 0.004 0.000 1.109 150 K CA 0.086 56.378 56.287 0.009 0.000 0.968 150 K CB 1.592 34.097 32.500 0.008 0.000 0.732 150 K HN 0.638 nan 8.250 nan 0.000 0.450 151 V N -1.201 118.715 119.914 0.004 0.000 2.649 151 V HA 0.475 4.595 4.120 -0.000 0.000 0.292 151 V C 0.117 176.206 176.094 -0.009 0.000 1.055 151 V CA -0.610 61.687 62.300 -0.004 0.000 1.023 151 V CB 0.764 32.584 31.823 -0.005 0.000 0.992 151 V HN 0.176 nan 8.190 nan 0.000 0.480 152 I N 6.317 126.878 120.570 -0.016 0.000 2.339 152 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 152 I C -2.025 174.081 176.117 -0.018 0.000 0.994 152 I CA -2.197 59.093 61.300 -0.018 0.000 1.191 152 I CB 1.946 39.930 38.000 -0.027 0.000 1.343 152 I HN 0.542 nan 8.210 nan 0.000 0.458 153 P HA -0.015 nan 4.420 nan 0.000 0.264 153 P C -0.381 176.912 177.300 -0.011 0.000 1.179 153 P CA 0.166 63.266 63.100 0.000 0.000 0.763 153 P CB 0.401 32.114 31.700 0.020 0.000 0.806 154 T N -1.723 112.828 114.554 -0.005 0.000 2.924 154 T HA 0.360 4.710 4.350 -0.000 0.000 0.291 154 T C 0.772 175.467 174.700 -0.009 0.000 1.045 154 T CA -0.542 61.550 62.100 -0.015 0.000 1.015 154 T CB 2.123 70.982 68.868 -0.015 0.000 1.103 154 T HN 0.164 nan 8.240 nan 0.000 0.496 155 E N 0.488 120.670 120.200 -0.029 0.000 2.190 155 E HA 0.185 4.535 4.350 -0.000 0.000 0.191 155 E C 0.363 176.960 176.600 -0.005 0.000 0.978 155 E CA 0.568 56.943 56.400 -0.042 0.000 0.839 155 E CB 0.241 29.903 29.700 -0.063 0.000 0.787 155 E HN 0.574 nan 8.360 nan 0.000 0.473 156 N N -1.206 117.492 118.700 -0.004 0.000 2.404 156 N HA 0.145 4.885 4.740 -0.000 0.000 0.297 156 N C 0.139 175.655 175.510 0.009 0.000 1.163 156 N CA -0.097 52.951 53.050 -0.003 0.000 0.864 156 N CB 1.790 40.267 38.487 -0.016 0.000 1.247 156 N HN -0.114 nan 8.380 nan 0.000 0.510 157 T N 0.035 114.594 114.554 0.008 0.000 2.851 157 T HA 0.001 4.351 4.350 -0.000 0.000 0.262 157 T C 0.417 175.128 174.700 0.018 0.000 1.043 157 T CA 1.179 63.293 62.100 0.022 0.000 1.140 157 T CB 0.092 68.981 68.868 0.036 0.000 0.872 157 T HN 0.431 nan 8.240 nan 0.000 0.446 158 T N 1.745 116.306 114.554 0.012 0.000 2.815 158 T HA 0.571 4.920 4.350 -0.000 0.000 0.289 158 T C 0.420 175.133 174.700 0.022 0.000 1.000 158 T CA -0.741 61.375 62.100 0.028 0.000 0.958 158 T CB 1.531 70.425 68.868 0.044 0.000 0.944 158 T HN 0.284 nan 8.240 nan 0.000 0.442 159 G N 2.252 111.064 108.800 0.020 0.000 2.684 159 G HA2 0.392 4.352 3.960 -0.000 0.000 0.255 159 G HA3 0.392 4.352 3.960 -0.000 0.000 0.255 159 G C 0.559 175.478 174.900 0.032 0.000 1.219 159 G CA -0.524 44.586 45.100 0.016 0.000 0.901 159 G HN 0.840 nan 8.290 nan 0.000 0.548 160 S N -0.671 115.048 115.700 0.032 0.000 2.580 160 S HA 0.326 4.796 4.470 -0.000 0.000 0.266 160 S C 1.846 176.477 174.600 0.053 0.000 1.354 160 S CA 0.415 58.643 58.200 0.047 0.000 1.008 160 S CB 1.025 64.251 63.200 0.044 0.000 0.898 160 S HN 1.461 nan 8.310 nan 0.000 0.555 161 A N 1.734 124.592 122.820 0.063 0.000 1.948 161 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 161 A C 2.160 179.777 177.584 0.056 0.000 1.177 161 A CA 1.906 53.982 52.037 0.065 0.000 0.636 161 A CB -1.252 17.787 19.000 0.065 0.000 0.815 161 A HN 0.839 nan 8.150 nan 0.000 0.449 162 V N 0.148 120.093 119.914 0.051 0.000 2.346 162 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 162 V C 2.092 178.231 176.094 0.076 0.000 1.037 162 V CA 2.196 64.537 62.300 0.069 0.000 1.029 162 V CB -0.885 30.965 31.823 0.044 0.000 0.663 162 V HN 0.516 nan 8.190 nan 0.000 0.454 163 D N 0.200 120.635 120.400 0.058 0.000 2.149 163 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 163 D C 2.085 178.379 176.300 -0.009 0.000 0.990 163 D CA 1.248 55.269 54.000 0.035 0.000 0.839 163 D CB -0.324 40.485 40.800 0.014 0.000 0.948 163 D HN 0.264 nan 8.370 nan 0.000 0.460 164 V N 0.772 120.687 119.914 0.003 0.000 2.261 164 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 164 V C 2.427 178.497 176.094 -0.040 0.000 1.047 164 V CA 1.527 63.821 62.300 -0.011 0.000 1.015 164 V CB -0.474 31.359 31.823 0.017 0.000 0.642 164 V HN 0.236 nan 8.190 nan 0.000 0.446 165 Q N -0.608 119.176 119.800 -0.027 0.000 2.084 165 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 165 Q C 2.203 178.042 176.000 -0.269 0.000 0.978 165 Q CA 2.155 57.929 55.803 -0.048 0.000 0.844 165 Q CB -0.560 28.235 28.738 0.096 0.000 0.898 165 Q HN 0.831 nan 8.270 nan 0.000 0.426 166 H N 0.481 119.194 119.070 -0.595 0.000 2.319 166 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 166 H C 2.199 177.262 175.328 -0.442 0.000 1.092 166 H CA 1.509 56.983 56.048 -0.956 0.000 1.302 166 H CB 0.292 29.733 29.762 -0.534 0.000 1.373 166 H HN 0.324 nan 8.280 nan 0.000 0.497 167 E N 0.452 120.537 120.200 -0.192 0.000 2.072 167 E HA -0.155 4.194 4.350 -0.000 0.000 0.191 167 E C 2.423 178.963 176.600 -0.098 0.000 0.985 167 E CA 0.851 57.146 56.400 -0.174 0.000 0.801 167 E CB 0.022 29.641 29.700 -0.135 0.000 0.750 167 E HN 0.528 nan 8.360 nan 0.000 0.452 168 L N 0.478 121.651 121.223 -0.083 0.000 2.042 168 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 168 L C 2.684 179.541 176.870 -0.022 0.000 1.076 168 L CA 1.128 55.939 54.840 -0.049 0.000 0.749 168 L CB -0.468 41.561 42.059 -0.050 0.000 0.893 168 L HN 0.236 nan 8.230 nan 0.000 0.432 169 A N 0.153 122.956 122.820 -0.028 0.000 1.933 169 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 169 A C 2.393 180.012 177.584 0.060 0.000 1.175 169 A CA 1.699 53.768 52.037 0.052 0.000 0.628 169 A CB -1.185 17.881 19.000 0.110 0.000 0.814 169 A HN 0.450 nan 8.150 nan 0.000 0.444 170 G N -0.183 108.635 108.800 0.030 0.000 2.418 170 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 170 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 170 G C 1.543 176.453 174.900 0.016 0.000 1.158 170 G CA 1.011 46.129 45.100 0.030 0.000 0.771 170 G HN 0.437 nan 8.290 nan 0.000 0.545 171 L N 0.233 121.457 121.223 0.002 0.000 2.056 171 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 171 L C 2.981 179.864 176.870 0.023 0.000 1.078 171 L CA 0.411 55.257 54.840 0.010 0.000 0.749 171 L CB -0.542 41.520 42.059 0.005 0.000 0.901 171 L HN 0.077 nan 8.230 nan 0.000 0.433 172 V N -0.155 119.774 119.914 0.025 0.000 2.343 172 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 172 V C 2.009 178.122 176.094 0.031 0.000 1.051 172 V CA 1.890 64.208 62.300 0.030 0.000 1.036 172 V CB -0.552 31.291 31.823 0.034 0.000 0.654 172 V HN 0.461 nan 8.190 nan 0.000 0.451 173 D N -0.346 120.076 120.400 0.036 0.000 2.263 173 D HA -0.153 4.487 4.640 -0.000 0.000 0.208 173 D C 2.053 178.370 176.300 0.028 0.000 0.971 173 D CA 0.940 54.960 54.000 0.034 0.000 0.867 173 D CB -0.105 40.723 40.800 0.047 0.000 0.929 173 D HN 0.560 nan 8.370 nan 0.000 0.492 174 Q N -0.715 119.101 119.800 0.027 0.000 2.360 174 Q HA 0.245 4.584 4.340 -0.000 0.000 0.202 174 Q C 1.030 177.045 176.000 0.025 0.000 0.915 174 Q CA 0.340 56.157 55.803 0.023 0.000 0.943 174 Q CB 0.965 29.715 28.738 0.020 0.000 1.064 174 Q HN 0.273 nan 8.270 nan 0.000 0.511 175 G N 0.698 109.515 108.800 0.028 0.000 2.175 175 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 175 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 175 G C 0.257 175.182 174.900 0.042 0.000 0.982 175 G CA -0.085 45.033 45.100 0.031 0.000 0.641 175 G HN 0.500 nan 8.290 nan 0.000 0.527 176 A N 0.415 123.263 122.820 0.046 0.000 2.477 176 A HA 0.641 4.960 4.320 -0.000 0.000 0.246 176 A C 1.456 179.087 177.584 0.078 0.000 1.078 176 A CA 1.648 53.725 52.037 0.066 0.000 0.770 176 A CB 0.304 19.341 19.000 0.062 0.000 1.011 176 A HN 1.552 nan 8.150 nan 0.000 0.494 177 T N -0.892 113.732 114.554 0.117 0.000 3.040 177 T HA 0.412 4.761 4.350 -0.000 0.000 0.266 177 T C -0.254 174.574 174.700 0.213 0.000 1.005 177 T CA 0.062 62.241 62.100 0.132 0.000 0.906 177 T CB -0.236 68.709 68.868 0.128 0.000 1.082 177 T HN 0.638 nan 8.240 nan 0.000 0.531 178 F N 0.982 120.959 119.950 0.045 0.000 2.596 178 F HA 0.663 5.190 4.527 -0.000 0.000 0.311 178 F C -1.741 174.084 175.800 0.041 0.000 1.116 178 F CA -1.621 56.412 58.000 0.055 0.000 0.957 178 F CB 1.856 40.894 39.000 0.063 0.000 1.250 178 F HN 0.172 nan 8.300 nan 0.000 0.444 179 C N 5.421 124.529 119.300 -0.319 0.000 2.701 179 C HA 0.946 5.406 4.460 -0.000 0.000 0.336 179 C C -0.726 174.117 174.990 -0.246 0.000 1.123 179 C CA 0.216 59.169 59.018 -0.108 0.000 1.326 179 C CB 0.117 27.822 27.740 -0.057 0.000 1.833 179 C HN 1.227 nan 8.230 nan 0.000 0.473 183 V N 2.457 122.389 119.914 0.031 0.000 2.325 183 V HA 0.275 4.395 4.120 -0.000 0.000 0.280 183 V C 0.183 176.309 176.094 0.053 0.000 1.016 183 V CA -0.630 61.680 62.300 0.017 0.000 0.818 183 V CB 1.068 32.833 31.823 -0.098 0.000 1.019 183 V HN 0.727 nan 8.190 nan 0.000 0.434 184 S N 2.966 118.713 115.700 0.078 0.000 2.603 184 S HA 0.217 4.687 4.470 -0.000 0.000 0.268 184 S C 1.515 176.229 174.600 0.190 0.000 1.317 184 S CA 0.107 58.380 58.200 0.122 0.000 1.012 184 S CB 1.488 64.715 63.200 0.044 0.000 0.926 184 S HN 0.937 nan 8.310 nan 0.000 0.539 185 S N 0.701 116.591 115.700 0.316 0.000 2.399 185 S HA -0.200 4.269 4.470 -0.000 0.000 0.231 185 S C 1.451 176.318 174.600 0.445 0.000 1.022 185 S CA 1.363 59.818 58.200 0.425 0.000 0.983 185 S CB -1.060 62.495 63.200 0.592 0.000 0.803 185 S HN 0.861 nan 8.310 nan 0.000 0.480 186 H N 1.967 121.114 119.070 0.127 0.000 2.321 186 H HA 0.152 4.708 4.556 -0.000 0.000 0.300 186 H C 2.568 177.904 175.328 0.012 0.000 1.087 186 H CA 1.218 57.233 56.048 -0.055 0.000 1.319 186 H CB -1.148 28.406 29.762 -0.347 0.000 1.379 186 H HN 0.521 nan 8.280 nan 0.000 0.501 187 G N 0.307 109.203 108.800 0.160 0.000 2.422 187 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 187 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 187 G C 1.725 176.685 174.900 0.100 0.000 1.146 187 G CA 0.808 45.972 45.100 0.107 0.000 0.769 187 G HN 0.287 nan 8.290 nan 0.000 0.547 188 L N 0.109 121.395 121.223 0.104 0.000 1.994 188 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 188 L C 3.012 179.908 176.870 0.043 0.000 1.071 188 L CA 0.633 55.522 54.840 0.082 0.000 0.745 188 L CB -0.595 41.505 42.059 0.068 0.000 0.892 188 L HN 0.083 nan 8.230 nan 0.000 0.431 189 V N -0.537 119.423 119.914 0.077 0.000 2.407 189 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 189 V C 2.044 177.998 176.094 -0.234 0.000 1.055 189 V CA 1.655 63.949 62.300 -0.010 0.000 1.049 189 V CB -0.538 31.369 31.823 0.141 0.000 0.662 189 V HN 0.521 nan 8.190 nan 0.000 0.455 190 Q N -1.461 118.293 119.800 -0.076 0.000 2.365 190 Q HA 0.067 4.407 4.340 -0.000 0.000 0.203 190 Q C 0.238 176.263 176.000 0.042 0.000 0.929 190 Q CA 0.112 55.919 55.803 0.007 0.000 0.948 190 Q CB 0.018 28.846 28.738 0.151 0.000 1.043 190 Q HN 0.864 nan 8.270 nan 0.000 0.505 191 H N -2.301 116.855 119.070 0.145 0.000 2.899 191 H HA -0.193 4.363 4.556 -0.000 0.000 0.282 191 H C 0.837 176.240 175.328 0.124 0.000 1.198 191 H CA 0.860 56.988 56.048 0.132 0.000 1.140 191 H CB -1.362 28.441 29.762 0.068 0.000 1.317 191 H HN 0.254 nan 8.280 nan 0.000 0.375 192 R N 0.439 121.046 120.500 0.178 0.000 2.189 192 R HA 0.003 4.343 4.340 -0.000 0.000 0.223 192 R C 1.496 177.886 176.300 0.151 0.000 1.092 192 R CA 1.613 57.799 56.100 0.144 0.000 0.989 192 R CB 0.347 30.712 30.300 0.109 0.000 0.876 192 R HN 0.435 nan 8.270 nan 0.000 0.457 193 V N -4.663 115.376 119.914 0.207 0.000 3.166 193 V HA 0.445 4.565 4.120 -0.000 0.000 0.332 193 V C 1.444 177.733 176.094 0.325 0.000 1.434 193 V CA 0.212 62.651 62.300 0.233 0.000 1.121 193 V CB 0.579 32.584 31.823 0.304 0.000 1.062 193 V HN 0.076 nan 8.190 nan 0.000 0.489 194 A N 1.441 124.434 122.820 0.289 0.000 1.958 194 A HA -0.052 4.268 4.320 -0.000 0.000 0.221 194 A C 2.135 179.783 177.584 0.106 0.000 1.178 194 A CA 2.681 54.832 52.037 0.190 0.000 0.642 194 A CB -0.467 18.610 19.000 0.128 0.000 0.816 194 A HN 1.404 nan 8.150 nan 0.000 0.453 195 A N -1.392 121.477 122.820 0.081 0.000 2.387 195 A HA 0.551 4.871 4.320 -0.000 0.000 0.234 195 A C 0.600 178.179 177.584 -0.007 0.000 1.253 195 A CA -0.449 51.607 52.037 0.033 0.000 0.894 195 A CB -0.149 18.862 19.000 0.018 0.000 0.963 195 A HN 0.384 nan 8.150 nan 0.000 0.508 196 L N 0.450 121.652 121.223 -0.036 0.000 2.439 196 L HA 0.205 4.545 4.340 -0.000 0.000 0.269 196 L C 0.145 176.845 176.870 -0.284 0.000 1.179 196 L CA 0.029 54.718 54.840 -0.252 0.000 0.828 196 L CB 0.735 42.476 42.059 -0.530 0.000 1.106 196 L HN 0.155 nan 8.230 nan 0.000 0.467 197 K N 3.133 123.344 120.400 -0.315 0.000 2.316 197 K HA 0.404 4.723 4.320 -0.000 0.000 0.267 197 K C -1.162 175.365 176.600 -0.120 0.000 1.025 197 K CA -0.340 55.863 56.287 -0.141 0.000 0.896 197 K CB 0.891 33.222 32.500 -0.282 0.000 1.124 197 K HN 0.189 nan 8.250 nan 0.000 0.451 198 F N 0.839 120.938 119.950 0.249 0.000 2.394 198 F HA 0.216 4.742 4.527 -0.000 0.000 0.340 198 F C 1.331 177.187 175.800 0.094 0.000 1.105 198 F CA -0.345 57.708 58.000 0.088 0.000 1.124 198 F CB 1.445 40.444 39.000 -0.001 0.000 1.145 198 F HN 0.600 nan 8.300 nan 0.000 0.505 199 A N 2.652 125.600 122.820 0.214 0.000 1.970 199 A HA 0.550 4.869 4.320 -0.000 0.000 0.216 199 A C 0.784 178.440 177.584 0.120 0.000 1.170 199 A CA 1.143 53.264 52.037 0.140 0.000 0.645 199 A CB -0.255 18.791 19.000 0.077 0.000 0.816 199 A HN 0.795 nan 8.150 nan 0.000 0.447 200 A N -1.633 121.263 122.820 0.127 0.000 2.604 200 A HA 0.647 4.967 4.320 -0.000 0.000 0.295 200 A C -0.772 176.825 177.584 0.022 0.000 1.067 200 A CA -0.246 51.842 52.037 0.085 0.000 0.683 200 A CB 0.935 19.991 19.000 0.093 0.000 1.281 200 A HN 0.252 nan 8.150 nan 0.000 0.407 201 S N 0.354 116.051 115.700 -0.005 0.000 2.659 201 S HA 0.584 5.054 4.470 -0.000 0.000 0.312 201 S C -0.655 174.021 174.600 0.127 0.000 1.114 201 S CA -0.437 57.682 58.200 -0.135 0.000 1.063 201 S CB 1.382 64.304 63.200 -0.464 0.000 0.996 201 S HN 0.790 nan 8.310 nan 0.000 0.478 202 V N 3.966 123.943 119.914 0.106 0.000 2.472 202 V HA 0.556 4.676 4.120 -0.000 0.000 0.290 202 V C -0.721 175.563 176.094 0.318 0.000 1.037 202 V CA -0.761 61.664 62.300 0.208 0.000 0.908 202 V CB 1.159 33.046 31.823 0.106 0.000 0.985 202 V HN 0.811 nan 8.190 nan 0.000 0.454 203 F N 3.845 123.928 119.950 0.221 0.000 2.427 203 F HA 0.477 5.004 4.527 -0.000 0.000 0.348 203 F C 1.194 177.045 175.800 0.084 0.000 1.125 203 F CA -0.245 57.879 58.000 0.207 0.000 0.989 203 F CB 2.013 41.192 39.000 0.298 0.000 1.165 203 F HN 0.669 nan 8.300 nan 0.000 0.442 204 T N 1.414 115.625 114.554 -0.572 0.000 2.901 204 T HA 0.241 4.591 4.350 -0.000 0.000 0.252 204 T C 0.019 174.296 174.700 -0.705 0.000 1.035 204 T CA 1.119 62.937 62.100 -0.470 0.000 1.142 204 T CB -0.432 68.302 68.868 -0.223 0.000 0.869 204 T HN 0.713 nan 8.240 nan 0.000 0.442 205 N N -0.693 117.333 118.700 -1.122 0.000 3.836 205 N HA 0.466 5.206 4.740 -0.000 0.000 0.229 205 N C -2.334 172.879 175.510 -0.495 0.000 1.375 205 N CA -1.016 51.589 53.050 -0.743 0.000 0.838 205 N CB 0.846 39.179 38.487 -0.257 0.000 1.447 205 N HN 0.290 nan 8.380 nan 0.000 0.458 206 L N 0.263 121.406 121.223 -0.134 0.000 2.476 206 L HA 0.859 5.199 4.340 -0.000 0.000 0.269 206 L C -1.103 175.770 176.870 0.004 0.000 0.965 206 L CA 0.178 54.998 54.840 -0.033 0.000 0.845 206 L CB 1.613 43.667 42.059 -0.007 0.000 1.259 206 L HN 1.080 nan 8.230 nan 0.000 0.403 207 S N 3.297 119.046 115.700 0.083 0.000 2.806 207 S HA 0.633 5.102 4.470 -0.000 0.000 0.306 207 S C -0.496 174.211 174.600 0.178 0.000 1.167 207 S CA -1.054 57.194 58.200 0.080 0.000 0.847 207 S CB 1.269 64.471 63.200 0.003 0.000 1.216 207 S HN 0.721 nan 8.310 nan 0.000 0.532 208 R N 0.809 121.363 120.500 0.091 0.000 2.484 208 R HA 0.385 4.725 4.340 -0.000 0.000 0.293 208 R C -1.283 175.020 176.300 0.004 0.000 1.023 208 R CA 0.726 56.871 56.100 0.074 0.000 1.037 208 R CB -0.431 29.886 30.300 0.028 0.000 0.951 208 R HN 0.764 nan 8.270 nan 0.000 0.418 209 D N 0.805 121.165 120.400 -0.067 0.000 2.912 209 D HA 0.093 4.733 4.640 -0.000 0.000 0.263 209 D C -0.982 175.097 176.300 -0.368 0.000 1.152 209 D CA -0.210 53.638 54.000 -0.253 0.000 0.728 209 D CB 0.477 41.091 40.800 -0.310 0.000 1.337 209 D HN 0.732 nan 8.370 nan 0.000 0.435 210 H N 1.212 120.228 119.070 -0.089 0.000 2.921 210 H HA -0.159 4.397 4.556 -0.000 0.000 0.281 210 H C 1.214 176.568 175.328 0.043 0.000 1.165 210 H CA 1.021 57.076 56.048 0.012 0.000 1.151 210 H CB -1.566 28.222 29.762 0.042 0.000 1.311 210 H HN 0.395 nan 8.280 nan 0.000 0.361 211 L N 0.710 121.979 121.223 0.077 0.000 2.465 211 L HA -0.099 4.241 4.340 -0.000 0.000 0.224 211 L C 2.266 179.212 176.870 0.127 0.000 1.145 211 L CA 1.471 56.376 54.840 0.107 0.000 0.834 211 L CB -0.227 41.875 42.059 0.072 0.000 0.944 211 L HN 0.329 nan 8.230 nan 0.000 0.451 212 D N -0.652 119.834 120.400 0.145 0.000 2.264 212 D HA -0.264 4.375 4.640 -0.000 0.000 0.208 212 D C 1.862 178.252 176.300 0.150 0.000 0.966 212 D CA 1.145 55.223 54.000 0.131 0.000 0.864 212 D CB -0.094 40.787 40.800 0.135 0.000 0.933 212 D HN 0.405 nan 8.370 nan 0.000 0.499 213 Y N 0.724 121.045 120.300 0.036 0.000 2.353 213 Y HA 0.059 4.609 4.550 -0.000 0.000 0.294 213 Y C 2.245 178.033 175.900 -0.186 0.000 1.135 213 Y CA 1.002 59.036 58.100 -0.111 0.000 1.176 213 Y CB -0.105 38.202 38.460 -0.254 0.000 1.124 213 Y HN -0.072 nan 8.280 nan 0.000 0.537 214 H N -0.865 118.158 119.070 -0.079 0.000 2.512 214 H HA 0.181 4.737 4.556 -0.000 0.000 0.279 214 H C 1.924 177.241 175.328 -0.019 0.000 0.999 214 H CA 1.101 57.091 56.048 -0.097 0.000 1.283 214 H CB 0.309 30.141 29.762 0.117 0.000 1.421 214 H HN 0.629 nan 8.280 nan 0.000 0.554 215 G N 1.405 110.278 108.800 0.122 0.000 2.812 215 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 215 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 215 G C 0.020 175.028 174.900 0.180 0.000 1.275 215 G CA 0.694 45.867 45.100 0.123 0.000 0.769 215 G HN 0.596 nan 8.290 nan 0.000 0.527 219 H N -0.148 119.025 119.070 0.173 0.000 2.428 219 H HA -0.065 4.491 4.556 -0.000 0.000 0.296 219 H C 1.793 177.301 175.328 0.299 0.000 1.062 219 H CA 1.563 57.744 56.048 0.222 0.000 1.350 219 H CB -0.112 29.780 29.762 0.216 0.000 1.403 219 H HN 0.250 nan 8.280 nan 0.000 0.533 220 Y N 2.017 122.413 120.300 0.160 0.000 2.163 220 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 220 Y C 2.529 178.453 175.900 0.040 0.000 1.136 220 Y CA 1.694 59.703 58.100 -0.153 0.000 1.147 220 Y CB -0.357 38.046 38.460 -0.095 0.000 0.987 220 Y HN 0.209 nan 8.280 nan 0.000 0.509 221 E N -0.145 120.108 120.200 0.089 0.000 2.077 221 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 221 E C 2.249 179.032 176.600 0.306 0.000 0.989 221 E CA 1.111 57.576 56.400 0.109 0.000 0.800 221 E CB -0.262 29.493 29.700 0.092 0.000 0.746 221 E HN 0.493 nan 8.360 nan 0.000 0.452 222 A N 1.431 124.412 122.820 0.267 0.000 1.972 222 A HA 0.036 4.356 4.320 -0.000 0.000 0.219 222 A C 1.514 179.303 177.584 0.341 0.000 1.169 222 A CA 1.153 53.374 52.037 0.307 0.000 0.635 222 A CB -0.641 18.513 19.000 0.257 0.000 0.810 222 A HN 0.405 nan 8.150 nan 0.000 0.446 226 L N 1.679 122.860 121.223 -0.070 0.000 2.081 226 L HA -0.297 4.043 4.340 -0.000 0.000 0.212 226 L C 2.417 179.215 176.870 -0.120 0.000 1.080 226 L CA 1.597 56.398 54.840 -0.064 0.000 0.754 226 L CB -0.958 41.185 42.059 0.139 0.000 0.893 226 L HN 0.066 nan 8.230 nan 0.000 0.433 227 L N -0.799 120.212 121.223 -0.353 0.000 2.042 227 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 227 L C 2.197 178.657 176.870 -0.682 0.000 1.076 227 L CA 1.995 56.440 54.840 -0.658 0.000 0.749 227 L CB -0.602 40.981 42.059 -0.794 0.000 0.893 227 L HN 0.152 nan 8.230 nan 0.000 0.432 228 Y N -1.366 118.560 120.300 -0.624 0.000 2.490 228 Y HA 0.052 4.602 4.550 -0.000 0.000 0.285 228 Y C 2.614 178.051 175.900 -0.771 0.000 1.117 228 Y CA 0.759 58.414 58.100 -0.740 0.000 1.262 228 Y CB -0.370 37.444 38.460 -1.078 0.000 1.043 228 Y HN 0.389 nan 8.280 nan 0.000 0.553 229 S N -1.263 113.985 115.700 -0.752 0.000 2.497 229 S HA 0.097 4.567 4.470 -0.000 0.000 0.218 229 S C 1.007 175.482 174.600 -0.207 0.000 1.023 229 S CA 0.120 58.018 58.200 -0.503 0.000 0.913 229 S CB 0.125 62.955 63.200 -0.616 0.000 0.800 229 S HN 0.423 nan 8.310 nan 0.000 0.505 230 E N -0.096 120.030 120.200 -0.125 0.000 2.714 230 E HA 0.269 4.619 4.350 -0.000 0.000 0.219 230 E C -0.971 175.476 176.600 -0.255 0.000 0.979 230 E CA -0.158 56.164 56.400 -0.130 0.000 1.092 230 E CB 0.603 30.222 29.700 -0.135 0.000 1.049 230 E HN 0.564 nan 8.360 nan 0.000 0.487 231 H N -1.041 117.986 119.070 -0.073 0.000 2.894 231 H HA 0.184 4.740 4.556 -0.000 0.000 0.368 231 H C -0.611 174.747 175.328 0.051 0.000 1.181 231 H CA -0.739 55.324 56.048 0.025 0.000 1.146 231 H CB 0.909 30.697 29.762 0.043 0.000 1.839 231 H HN 0.026 nan 8.280 nan 0.000 0.557 232 H N 2.254 121.436 119.070 0.187 0.000 3.092 232 H HA 0.048 4.603 4.556 -0.000 0.000 0.263 232 H C 0.511 175.969 175.328 0.217 0.000 1.611 232 H CA -0.214 55.914 56.048 0.135 0.000 1.457 232 H CB -0.168 29.647 29.762 0.089 0.000 1.731 232 H HN 0.799 nan 8.280 nan 0.000 0.532 233 C N 1.975 121.231 119.300 -0.073 0.000 2.481 233 C HA 0.359 4.819 4.460 -0.000 0.000 0.275 233 C C 1.601 176.529 174.990 -0.103 0.000 1.419 233 C CA 0.139 59.094 59.018 -0.104 0.000 1.773 233 C CB -1.087 26.485 27.740 -0.279 0.000 1.862 233 C HN 1.005 nan 8.230 nan 0.000 0.530 234 G N 0.637 109.267 108.800 -0.284 0.000 2.552 234 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.265 234 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.265 234 G C -0.644 174.241 174.900 -0.025 0.000 1.234 234 G CA 0.119 45.129 45.100 -0.150 0.000 0.944 234 G HN 0.780 nan 8.290 nan 0.000 0.568 235 Q N 0.542 120.367 119.800 0.041 0.000 2.332 235 Q HA 0.502 4.842 4.340 -0.000 0.000 0.263 235 Q C 0.500 176.578 176.000 0.130 0.000 0.979 235 Q CA 0.259 56.113 55.803 0.084 0.000 0.885 235 Q CB 1.159 29.955 28.738 0.097 0.000 1.218 235 Q HN 1.096 nan 8.270 nan 0.000 0.405 236 A N 3.315 126.234 122.820 0.164 0.000 2.290 236 A HA 0.541 4.860 4.320 -0.000 0.000 0.310 236 A C -0.689 177.005 177.584 0.184 0.000 1.202 236 A CA -0.508 51.675 52.037 0.243 0.000 0.837 236 A CB 0.298 19.404 19.000 0.177 0.000 1.139 236 A HN 0.596 nan 8.150 nan 0.000 0.509 237 I N 3.861 124.558 120.570 0.213 0.000 2.410 237 I HA 0.372 4.542 4.170 -0.000 0.000 0.286 237 I C -0.646 175.590 176.117 0.199 0.000 1.009 237 I CA -0.007 61.393 61.300 0.167 0.000 1.111 237 I CB 1.480 39.559 38.000 0.130 0.000 1.262 237 I HN 0.387 nan 8.210 nan 0.000 0.443 238 I N 4.786 125.452 120.570 0.160 0.000 2.509 238 I HA 0.315 4.484 4.170 -0.000 0.000 0.293 238 I C -0.061 176.140 176.117 0.141 0.000 1.020 238 I CA -0.815 60.610 61.300 0.208 0.000 1.088 238 I CB 1.843 39.936 38.000 0.155 0.000 1.267 238 I HN 0.474 nan 8.210 nan 0.000 0.430 239 N N 4.253 123.051 118.700 0.164 0.000 2.405 239 N HA 0.228 4.968 4.740 -0.000 0.000 0.260 239 N C 0.636 176.175 175.510 0.048 0.000 1.152 239 N CA 0.036 53.122 53.050 0.060 0.000 0.948 239 N CB 1.329 39.797 38.487 -0.032 0.000 1.111 239 N HN 0.707 nan 8.380 nan 0.000 0.485 240 A N 3.295 126.124 122.820 0.014 0.000 2.167 240 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 240 A C 1.238 178.745 177.584 -0.129 0.000 1.151 240 A CA 0.570 52.592 52.037 -0.024 0.000 0.735 240 A CB 0.027 19.027 19.000 0.001 0.000 0.802 240 A HN 0.684 nan 8.150 nan 0.000 0.467 241 D N 0.221 120.562 120.400 -0.099 0.000 2.348 241 D HA -0.024 4.616 4.640 -0.000 0.000 0.216 241 D C 0.039 176.186 176.300 -0.255 0.000 0.970 241 D CA 0.582 54.449 54.000 -0.222 0.000 0.889 241 D CB -0.073 40.739 40.800 0.020 0.000 0.912 241 D HN 0.568 nan 8.370 nan 0.000 0.524 242 D N 0.488 120.798 120.400 -0.150 0.000 2.210 242 D HA -0.024 4.616 4.640 -0.000 0.000 0.249 242 D C 1.324 177.542 176.300 -0.138 0.000 1.078 242 D CA -0.383 53.553 54.000 -0.107 0.000 0.875 242 D CB 1.486 42.274 40.800 -0.020 0.000 1.175 242 D HN -0.268 nan 8.370 nan 0.000 0.440 243 E N 2.842 122.963 120.200 -0.133 0.000 2.058 243 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 243 E C 1.616 178.109 176.600 -0.178 0.000 0.997 243 E CA 1.266 57.585 56.400 -0.134 0.000 0.801 243 E CB -0.047 29.593 29.700 -0.100 0.000 0.746 243 E HN 0.450 nan 8.360 nan 0.000 0.450 244 V N 0.929 120.704 119.914 -0.233 0.000 2.407 244 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 244 V C 2.587 178.288 176.094 -0.655 0.000 1.055 244 V CA 1.819 63.832 62.300 -0.479 0.000 1.049 244 V CB -1.110 30.352 31.823 -0.602 0.000 0.662 244 V HN 0.437 nan 8.190 nan 0.000 0.455 245 G N 0.123 108.715 108.800 -0.347 0.000 2.446 245 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 245 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 245 G C 1.731 176.559 174.900 -0.121 0.000 1.168 245 G CA 0.834 45.809 45.100 -0.208 0.000 0.771 245 G HN 0.456 nan 8.290 nan 0.000 0.551 246 R N -0.030 120.413 120.500 -0.095 0.000 2.081 246 R HA 0.008 4.348 4.340 -0.000 0.000 0.235 246 R C 2.796 179.096 176.300 0.000 0.000 1.131 246 R CA 1.129 57.220 56.100 -0.015 0.000 0.960 246 R CB -0.300 29.987 30.300 -0.022 0.000 0.856 246 R HN 0.285 nan 8.270 nan 0.000 0.436 247 R N -0.385 120.077 120.500 -0.063 0.000 2.081 247 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 247 R C 1.945 178.285 176.300 0.067 0.000 1.131 247 R CA 1.331 57.416 56.100 -0.025 0.000 0.960 247 R CB -0.167 30.092 30.300 -0.069 0.000 0.856 247 R HN 0.279 nan 8.270 nan 0.000 0.436 248 W N 0.976 122.140 121.300 -0.227 0.000 2.388 248 W HA -0.019 4.641 4.660 -0.000 0.000 0.294 248 W C 1.904 178.359 176.519 -0.107 0.000 1.212 248 W CA 0.477 57.673 57.345 -0.249 0.000 1.271 248 W CB -0.785 28.505 29.460 -0.282 0.000 1.126 248 W HN 0.057 nan 8.180 nan 0.000 0.535 249 L N 0.091 121.412 121.223 0.163 0.000 2.131 249 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 249 L C 2.461 179.418 176.870 0.144 0.000 1.092 249 L CA 1.328 56.255 54.840 0.146 0.000 0.759 249 L CB -1.017 41.136 42.059 0.156 0.000 0.903 249 L HN -0.090 nan 8.230 nan 0.000 0.435 250 A N -0.366 122.519 122.820 0.107 0.000 2.172 250 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 250 A C 2.076 179.692 177.584 0.053 0.000 1.154 250 A CA 1.216 53.294 52.037 0.068 0.000 0.701 250 A CB -0.200 18.820 19.000 0.034 0.000 0.789 250 A HN 0.388 nan 8.150 nan 0.000 0.465 251 K N -1.146 119.291 120.400 0.061 0.000 2.355 251 K HA 0.348 4.667 4.320 -0.000 0.000 0.198 251 K C -0.551 176.114 176.600 0.109 0.000 1.039 251 K CA 0.080 56.406 56.287 0.065 0.000 1.075 251 K CB 0.499 33.013 32.500 0.023 0.000 0.870 251 K HN 0.331 nan 8.250 nan 0.000 0.540 252 L N 1.859 123.147 121.223 0.108 0.000 2.408 252 L HA 0.264 4.603 4.340 -0.000 0.000 0.257 252 L C -2.156 174.773 176.870 0.098 0.000 1.053 252 L CA -1.715 53.182 54.840 0.096 0.000 0.922 252 L CB 1.313 43.414 42.059 0.069 0.000 1.261 252 L HN -0.187 nan 8.230 nan 0.000 0.458 253 P HA -0.176 nan 4.420 nan 0.000 0.216 253 P C 0.478 177.835 177.300 0.095 0.000 1.153 253 P CA 1.332 64.483 63.100 0.086 0.000 0.858 253 P CB 0.249 31.987 31.700 0.064 0.000 0.789 254 D N -1.359 119.092 120.400 0.084 0.000 2.358 254 D HA 0.205 4.845 4.640 -0.000 0.000 0.224 254 D C 0.621 176.982 176.300 0.102 0.000 1.123 254 D CA 0.066 54.117 54.000 0.086 0.000 0.833 254 D CB 0.015 40.856 40.800 0.069 0.000 0.946 254 D HN 0.123 nan 8.370 nan 0.000 0.505 255 A N 0.462 123.348 122.820 0.109 0.000 2.304 255 A HA 0.396 4.716 4.320 -0.000 0.000 0.271 255 A C 0.305 177.969 177.584 0.133 0.000 1.091 255 A CA -0.366 51.739 52.037 0.112 0.000 0.812 255 A CB 0.959 20.009 19.000 0.084 0.000 1.056 255 A HN 0.002 nan 8.150 nan 0.000 0.489 256 V N 1.462 121.463 119.914 0.146 0.000 2.406 256 V HA 0.498 4.618 4.120 -0.000 0.000 0.272 256 V C 0.729 176.890 176.094 0.111 0.000 1.043 256 V CA -0.058 62.348 62.300 0.176 0.000 0.915 256 V CB 0.774 32.744 31.823 0.244 0.000 0.988 256 V HN 1.052 nan 8.190 nan 0.000 0.466 257 A N 5.440 128.297 122.820 0.063 0.000 2.290 257 A HA 0.774 5.094 4.320 -0.000 0.000 0.310 257 A C -0.549 177.078 177.584 0.072 0.000 1.202 257 A CA -0.412 51.573 52.037 -0.087 0.000 0.837 257 A CB 0.958 19.569 19.000 -0.648 0.000 1.139 257 A HN 0.664 nan 8.150 nan 0.000 0.509 258 V N 1.976 121.927 119.914 0.062 0.000 2.540 258 V HA 0.731 4.851 4.120 -0.000 0.000 0.302 258 V C 0.286 176.439 176.094 0.097 0.000 1.035 258 V CA -0.245 62.117 62.300 0.103 0.000 0.873 258 V CB 1.525 33.388 31.823 0.068 0.000 0.992 258 V HN 1.036 nan 8.190 nan 0.000 0.428 262 D N 0.753 121.108 120.400 -0.074 0.000 2.927 262 D HA -0.192 4.447 4.640 -0.000 0.000 0.236 262 D C -0.417 175.710 176.300 -0.288 0.000 1.163 262 D CA 1.130 55.047 54.000 -0.139 0.000 0.801 262 D CB -0.941 39.774 40.800 -0.142 0.000 0.975 262 D HN 0.540 nan 8.370 nan 0.000 0.413 263 H N 0.348 119.441 119.070 0.038 0.000 2.923 263 H HA 0.303 4.858 4.556 -0.000 0.000 0.268 263 H C 0.449 175.833 175.328 0.092 0.000 1.148 263 H CA -0.699 55.380 56.048 0.051 0.000 1.146 263 H CB 0.505 30.300 29.762 0.055 0.000 1.607 263 H HN 0.196 nan 8.280 nan 0.000 0.566 264 I N 1.917 122.568 120.570 0.136 0.000 2.496 264 I HA 0.020 4.190 4.170 -0.000 0.000 0.285 264 I C 0.372 176.494 176.117 0.009 0.000 1.080 264 I CA 0.016 61.395 61.300 0.133 0.000 1.404 264 I CB 0.456 38.444 38.000 -0.019 0.000 1.403 264 I HN 0.311 nan 8.210 nan 0.000 0.539 265 N N 9.341 128.098 118.700 0.094 0.000 2.623 265 N HA 0.305 5.045 4.740 -0.000 0.000 0.256 265 N C -1.833 173.492 175.510 -0.309 0.000 1.045 265 N CA -2.093 50.816 53.050 -0.235 0.000 0.863 265 N CB 1.899 40.165 38.487 -0.368 0.000 1.182 265 N HN 0.202 nan 8.380 nan 0.000 0.523 266 P HA -0.163 nan 4.420 nan 0.000 0.217 266 P C 0.910 178.148 177.300 -0.103 0.000 1.148 266 P CA 0.990 63.900 63.100 -0.317 0.000 0.828 266 P CB 0.490 31.963 31.700 -0.378 0.000 0.783 267 N N -0.349 118.270 118.700 -0.135 0.000 2.331 267 N HA -0.084 4.656 4.740 -0.000 0.000 0.180 267 N C 1.363 176.817 175.510 -0.093 0.000 1.019 267 N CA 1.005 54.002 53.050 -0.088 0.000 0.881 267 N CB -0.197 38.235 38.487 -0.091 0.000 0.972 267 N HN 0.155 nan 8.380 nan 0.000 0.435 268 C N -0.289 118.899 119.300 -0.187 0.000 2.689 268 C HA 0.239 4.699 4.460 -0.000 0.000 0.336 268 C C 0.234 175.153 174.990 -0.120 0.000 1.304 268 C CA -0.446 58.451 59.018 -0.201 0.000 1.860 268 C CB -0.767 26.779 27.740 -0.323 0.000 2.405 268 C HN 0.347 nan 8.230 nan 0.000 0.557 269 H N 0.809 119.912 119.070 0.056 0.000 2.761 269 H HA 0.244 4.799 4.556 -0.000 0.000 0.284 269 H C 1.277 176.717 175.328 0.187 0.000 1.105 269 H CA 0.235 56.359 56.048 0.126 0.000 1.352 269 H CB 0.322 30.184 29.762 0.167 0.000 1.423 269 H HN 0.343 nan 8.280 nan 0.000 0.464 270 G N 3.685 112.627 108.800 0.236 0.000 2.513 270 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 270 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 270 G C 0.717 175.711 174.900 0.157 0.000 1.160 270 G CA 0.481 45.676 45.100 0.158 0.000 0.767 270 G HN 0.398 nan 8.290 nan 0.000 0.571 271 R N -0.680 119.913 120.500 0.156 0.000 2.670 271 R HA 0.552 4.892 4.340 -0.000 0.000 0.289 271 R C -0.855 175.564 176.300 0.197 0.000 0.965 271 R CA -0.796 55.285 56.100 -0.033 0.000 0.899 271 R CB 2.085 32.317 30.300 -0.114 0.000 1.173 271 R HN 0.533 nan 8.270 nan 0.000 0.456 272 W N 2.073 123.395 121.300 0.037 0.000 3.005 272 W HA 0.624 5.284 4.660 -0.000 0.000 0.343 272 W C -2.292 174.368 176.519 0.235 0.000 1.243 272 W CA -0.975 56.450 57.345 0.135 0.000 1.186 272 W CB 0.917 30.451 29.460 0.123 0.000 1.453 272 W HN 0.529 nan 8.180 nan 0.000 0.575 273 L N 2.653 124.185 121.223 0.515 0.000 2.565 273 L HA 0.568 4.908 4.340 -0.000 0.000 0.261 273 L C -1.273 175.854 176.870 0.429 0.000 0.932 273 L CA -0.431 54.647 54.840 0.398 0.000 0.878 273 L CB 1.949 44.118 42.059 0.183 0.000 1.333 273 L HN 0.568 nan 8.230 nan 0.000 0.409 274 K N 4.117 124.807 120.400 0.484 0.000 2.498 274 K HA 0.863 5.183 4.320 -0.000 0.000 0.254 274 K C -1.353 175.436 176.600 0.315 0.000 0.933 274 K CA -0.692 55.799 56.287 0.340 0.000 0.806 274 K CB 2.130 34.812 32.500 0.303 0.000 1.301 274 K HN 0.551 nan 8.250 nan 0.000 0.432 275 A N 1.485 124.434 122.820 0.214 0.000 2.401 275 A HA 0.290 4.610 4.320 -0.000 0.000 0.259 275 A C 0.888 178.566 177.584 0.156 0.000 1.103 275 A CA 0.099 52.253 52.037 0.195 0.000 0.789 275 A CB 0.271 19.341 19.000 0.117 0.000 1.035 275 A HN 0.919 nan 8.150 nan 0.000 0.491 276 T N -0.958 113.682 114.554 0.143 0.000 3.034 276 T HA 0.281 4.631 4.350 -0.000 0.000 0.248 276 T C 0.254 174.988 174.700 0.057 0.000 1.040 276 T CA 0.355 62.510 62.100 0.092 0.000 1.107 276 T CB 0.165 69.083 68.868 0.084 0.000 0.932 276 T HN 0.578 nan 8.240 nan 0.000 0.474 277 E N 0.551 120.780 120.200 0.050 0.000 2.335 277 E HA 0.590 4.940 4.350 -0.000 0.000 0.280 277 E C -1.846 174.746 176.600 -0.014 0.000 0.918 277 E CA -0.563 55.850 56.400 0.021 0.000 0.765 277 E CB 2.888 32.597 29.700 0.015 0.000 1.218 277 E HN 0.117 nan 8.360 nan 0.000 0.425 278 V N 3.021 122.903 119.914 -0.054 0.000 2.623 278 V HA 0.451 4.570 4.120 -0.000 0.000 0.304 278 V C -0.630 175.310 176.094 -0.255 0.000 1.054 278 V CA -0.930 61.247 62.300 -0.204 0.000 0.882 278 V CB 2.024 33.679 31.823 -0.279 0.000 1.002 278 V HN 0.474 nan 8.190 nan 0.000 0.424 279 N N 3.507 122.016 118.700 -0.317 0.000 2.442 279 N HA 0.466 5.206 4.740 -0.000 0.000 0.274 279 N C -1.503 173.774 175.510 -0.389 0.000 1.002 279 N CA -0.365 52.572 53.050 -0.188 0.000 0.910 279 N CB 2.090 40.573 38.487 -0.006 0.000 1.244 279 N HN 0.552 nan 8.380 nan 0.000 0.492 280 Y N 1.718 121.924 120.300 -0.156 0.000 2.313 280 Y HA 0.251 4.801 4.550 -0.000 0.000 0.332 280 Y C 1.094 176.868 175.900 -0.210 0.000 1.071 280 Y CA -0.328 57.607 58.100 -0.274 0.000 1.169 280 Y CB 0.697 39.084 38.460 -0.123 0.000 1.192 280 Y HN 0.613 nan 8.280 nan 0.000 0.487 281 H N -1.766 117.389 119.070 0.141 0.000 5.199 281 H HA 0.322 4.878 4.556 -0.000 0.000 0.185 281 H C -0.968 174.393 175.328 0.054 0.000 1.309 281 H CA -1.108 54.993 56.048 0.088 0.000 0.262 281 H CB -0.518 29.276 29.762 0.053 0.000 1.619 281 H HN 0.300 nan 8.280 nan 0.000 0.311 282 D N 1.084 121.702 120.400 0.362 0.000 2.483 282 D HA 0.178 4.817 4.640 -0.000 0.000 0.261 282 D C -0.005 176.357 176.300 0.103 0.000 1.318 282 D CA 0.837 54.936 54.000 0.164 0.000 1.201 282 D CB -0.143 40.734 40.800 0.128 0.000 1.127 282 D HN 0.662 nan 8.370 nan 0.000 0.519 283 S N 0.508 116.205 115.700 -0.006 0.000 3.309 283 S HA -0.207 4.263 4.470 -0.000 0.000 0.373 283 S C 0.672 175.288 174.600 0.027 0.000 1.083 283 S CA 0.797 58.974 58.200 -0.038 0.000 1.059 283 S CB -1.032 62.118 63.200 -0.083 0.000 0.901 283 S HN 0.761 nan 8.310 nan 0.000 0.505 284 G N -0.867 107.962 108.800 0.049 0.000 3.176 284 G HA2 0.887 4.846 3.960 -0.000 0.000 0.272 284 G HA3 0.887 4.846 3.960 -0.000 0.000 0.272 284 G C -0.873 173.884 174.900 -0.238 0.000 1.349 284 G CA -0.034 45.074 45.100 0.012 0.000 0.953 284 G HN 1.394 nan 8.290 nan 0.000 0.559 285 A N -0.972 121.660 122.820 -0.314 0.000 2.577 285 A HA 0.701 5.021 4.320 -0.000 0.000 0.297 285 A C -0.665 176.739 177.584 -0.300 0.000 1.060 285 A CA -0.443 51.282 52.037 -0.521 0.000 0.697 285 A CB 1.263 19.975 19.000 -0.480 0.000 1.281 285 A HN 0.811 nan 8.150 nan 0.000 0.402 286 T N 2.568 116.977 114.554 -0.242 0.000 2.744 286 T HA 0.569 4.919 4.350 -0.000 0.000 0.291 286 T C -0.208 174.428 174.700 -0.107 0.000 0.957 286 T CA 0.227 62.300 62.100 -0.044 0.000 1.002 286 T CB -0.053 68.868 68.868 0.089 0.000 0.919 286 T HN 0.408 nan 8.240 nan 0.000 0.468 287 I N 3.584 124.126 120.570 -0.047 0.000 2.382 287 I HA 0.417 4.587 4.170 -0.000 0.000 0.286 287 I C 0.416 176.596 176.117 0.105 0.000 1.002 287 I CA -0.778 60.523 61.300 0.002 0.000 1.135 287 I CB 1.460 39.467 38.000 0.013 0.000 1.288 287 I HN 0.288 nan 8.210 nan 0.000 0.448 288 R N 6.098 126.647 120.500 0.082 0.000 2.368 288 R HA 0.703 5.042 4.340 -0.000 0.000 0.302 288 R C -1.063 175.337 176.300 0.166 0.000 1.002 288 R CA -0.474 55.665 56.100 0.065 0.000 0.929 288 R CB 1.576 31.882 30.300 0.010 0.000 1.073 288 R HN 0.573 nan 8.270 nan 0.000 0.464 289 F N -1.290 118.690 119.950 0.051 0.000 2.685 289 F HA 0.694 5.221 4.527 -0.000 0.000 0.315 289 F C -1.034 174.832 175.800 0.111 0.000 1.126 289 F CA -1.002 57.050 58.000 0.087 0.000 0.950 289 F CB 1.837 40.888 39.000 0.084 0.000 1.360 289 F HN 0.330 nan 8.300 nan 0.000 0.469 290 S N 0.656 116.586 115.700 0.383 0.000 2.569 290 S HA 0.880 5.349 4.470 -0.000 0.000 0.280 290 S C -1.146 173.711 174.600 0.428 0.000 1.111 290 S CA 0.227 58.604 58.200 0.295 0.000 0.887 290 S CB 1.471 64.873 63.200 0.336 0.000 1.095 290 S HN 1.618 nan 8.310 nan 0.000 0.476 291 S N 1.547 117.258 115.700 0.019 0.000 2.672 291 S HA 0.456 4.926 4.470 -0.000 0.000 0.271 291 S C 0.369 174.425 174.600 -0.907 0.000 1.171 291 S CA -0.370 57.499 58.200 -0.551 0.000 0.817 291 S CB 0.671 63.964 63.200 0.154 0.000 1.150 291 S HN 0.537 nan 8.310 nan 0.000 0.478 292 S N -0.021 114.944 115.700 -1.225 0.000 2.507 292 S HA 0.029 4.499 4.470 -0.000 0.000 0.235 292 S C 0.504 174.643 174.600 -0.767 0.000 0.988 292 S CA 0.684 58.221 58.200 -1.105 0.000 0.944 292 S CB -0.454 61.901 63.200 -1.408 0.000 0.762 292 S HN 0.686 nan 8.310 nan 0.000 0.526 293 W N 1.298 122.448 121.300 -0.250 0.000 3.177 293 W HA 0.449 5.109 4.660 -0.000 0.000 0.309 293 W C 1.012 177.488 176.519 -0.073 0.000 1.224 293 W CA 0.272 57.545 57.345 -0.120 0.000 1.718 293 W CB -0.029 29.380 29.460 -0.084 0.000 1.078 293 W HN 0.374 nan 8.180 nan 0.000 0.618 294 G N 0.953 109.811 108.800 0.096 0.000 2.355 294 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.619 294 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.619 294 G C -1.606 173.307 174.900 0.021 0.000 1.337 294 G CA -1.103 44.028 45.100 0.051 0.000 0.993 294 G HN -0.095 nan 8.290 nan 0.000 0.599 295 D N -0.723 119.618 120.400 -0.100 0.000 2.432 295 D HA 0.768 5.408 4.640 -0.000 0.000 0.258 295 D C 0.809 176.790 176.300 -0.531 0.000 1.146 295 D CA 0.997 54.800 54.000 -0.327 0.000 1.015 295 D CB 1.546 42.228 40.800 -0.197 0.000 1.107 295 D HN 1.284 nan 8.370 nan 0.000 0.529 296 G N -0.813 107.449 108.800 -0.897 0.000 2.322 296 G HA2 0.429 4.389 3.960 -0.000 0.000 0.295 296 G HA3 0.429 4.389 3.960 -0.000 0.000 0.295 296 G C -1.802 172.778 174.900 -0.534 0.000 1.369 296 G CA -0.771 43.946 45.100 -0.638 0.000 0.821 296 G HN 0.432 nan 8.290 nan 0.000 0.536 297 E N -0.500 119.629 120.200 -0.120 0.000 2.275 297 E HA 0.620 4.970 4.350 -0.000 0.000 0.270 297 E C -1.079 175.594 176.600 0.121 0.000 0.882 297 E CA -0.708 55.704 56.400 0.021 0.000 0.758 297 E CB 1.932 31.621 29.700 -0.018 0.000 1.195 297 E HN 0.439 nan 8.360 nan 0.000 0.419 298 I N 2.943 123.609 120.570 0.160 0.000 2.441 298 I HA 0.268 4.438 4.170 -0.000 0.000 0.295 298 I C -0.505 175.607 176.117 -0.008 0.000 0.994 298 I CA -0.835 60.521 61.300 0.092 0.000 1.144 298 I CB 1.961 40.029 38.000 0.114 0.000 1.314 298 I HN 0.475 nan 8.210 nan 0.000 0.445 299 E N 4.265 124.422 120.200 -0.072 0.000 2.063 299 E HA 0.256 4.606 4.350 -0.000 0.000 0.265 299 E C -0.790 175.636 176.600 -0.289 0.000 0.919 299 E CA -0.077 56.249 56.400 -0.123 0.000 0.756 299 E CB 1.135 30.771 29.700 -0.107 0.000 1.120 299 E HN 0.455 nan 8.360 nan 0.000 0.414 300 S N 3.317 118.862 115.700 -0.258 0.000 2.541 300 S HA 0.249 4.718 4.470 -0.000 0.000 0.283 300 S C 0.170 174.588 174.600 -0.303 0.000 1.196 300 S CA -0.556 57.446 58.200 -0.331 0.000 1.062 300 S CB 0.493 63.560 63.200 -0.222 0.000 1.009 300 S HN 0.605 nan 8.310 nan 0.000 0.502 301 H N 3.218 122.216 119.070 -0.121 0.000 2.551 301 H HA 0.327 4.883 4.556 -0.000 0.000 0.271 301 H C -0.055 175.203 175.328 -0.116 0.000 0.984 301 H CA -0.027 55.959 56.048 -0.104 0.000 1.164 301 H CB -0.056 29.628 29.762 -0.131 0.000 1.437 301 H HN 0.281 nan 8.280 nan 0.000 0.550 305 A N 0.294 123.197 122.820 0.139 0.000 1.969 305 A HA 0.141 4.461 4.320 -0.000 0.000 0.218 305 A C 2.031 179.725 177.584 0.183 0.000 1.169 305 A CA 2.272 54.456 52.037 0.245 0.000 0.635 305 A CB -0.524 18.552 19.000 0.127 0.000 0.810 305 A HN 1.313 nan 8.150 nan 0.000 0.445 306 F N 1.598 121.560 119.950 0.020 0.000 2.126 306 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 306 F C 1.824 177.631 175.800 0.012 0.000 1.096 306 F CA 1.979 59.979 58.000 0.000 0.000 1.255 306 F CB -0.267 38.721 39.000 -0.020 0.000 0.997 306 F HN 0.212 nan 8.300 nan 0.000 0.479 307 N N 0.165 118.807 118.700 -0.097 0.000 2.457 307 N HA -0.071 4.668 4.740 -0.000 0.000 0.180 307 N C 1.974 177.390 175.510 -0.156 0.000 1.050 307 N CA 1.030 53.956 53.050 -0.207 0.000 0.906 307 N CB -0.071 38.386 38.487 -0.052 0.000 0.968 307 N HN 0.257 nan 8.380 nan 0.000 0.445 308 V N 0.047 119.924 119.914 -0.062 0.000 2.379 308 V HA -0.135 3.985 4.120 -0.000 0.000 0.245 308 V C 2.450 178.492 176.094 -0.086 0.000 1.044 308 V CA 1.478 63.746 62.300 -0.053 0.000 1.036 308 V CB -0.553 31.280 31.823 0.016 0.000 0.664 308 V HN 0.291 nan 8.190 nan 0.000 0.453 309 S N 0.587 116.224 115.700 -0.106 0.000 2.356 309 S HA -0.214 4.255 4.470 -0.000 0.000 0.223 309 S C 1.934 176.425 174.600 -0.181 0.000 1.032 309 S CA 1.875 60.003 58.200 -0.120 0.000 1.005 309 S CB -0.436 62.698 63.200 -0.111 0.000 0.867 309 S HN 0.659 nan 8.310 nan 0.000 0.449 310 N N 1.595 120.107 118.700 -0.313 0.000 2.120 310 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 310 N C 1.816 177.238 175.510 -0.146 0.000 1.024 310 N CA 1.232 54.117 53.050 -0.275 0.000 0.852 310 N CB -0.737 37.514 38.487 -0.394 0.000 1.003 310 N HN 0.488 nan 8.380 nan 0.000 0.424 311 L N 0.773 121.913 121.223 -0.138 0.000 2.093 311 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 311 L C 1.967 178.835 176.870 -0.003 0.000 1.085 311 L CA 0.938 55.733 54.840 -0.075 0.000 0.755 311 L CB -0.145 41.837 42.059 -0.129 0.000 0.904 311 L HN 0.068 nan 8.230 nan 0.000 0.435 312 L N -0.644 120.544 121.223 -0.058 0.000 2.141 312 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 312 L C 2.500 179.330 176.870 -0.066 0.000 1.094 312 L CA 0.946 55.738 54.840 -0.080 0.000 0.763 312 L CB -0.452 41.564 42.059 -0.071 0.000 0.908 312 L HN 0.335 nan 8.230 nan 0.000 0.437 313 L N -0.321 120.874 121.223 -0.047 0.000 2.093 313 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 313 L C 2.868 179.727 176.870 -0.019 0.000 1.085 313 L CA 1.097 55.920 54.840 -0.028 0.000 0.755 313 L CB -0.608 41.432 42.059 -0.031 0.000 0.904 313 L HN 0.228 nan 8.230 nan 0.000 0.435 314 A N -0.136 122.692 122.820 0.014 0.000 1.898 314 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 314 A C 2.178 179.728 177.584 -0.057 0.000 1.181 314 A CA 1.504 53.578 52.037 0.061 0.000 0.620 314 A CB -0.643 18.472 19.000 0.192 0.000 0.819 314 A HN 0.308 nan 8.150 nan 0.000 0.442 315 L N -0.066 121.110 121.223 -0.078 0.000 2.017 315 L HA -0.073 4.266 4.340 -0.000 0.000 0.208 315 L C 2.657 179.259 176.870 -0.446 0.000 1.073 315 L CA 2.332 56.922 54.840 -0.417 0.000 0.745 315 L CB -0.897 40.971 42.059 -0.319 0.000 0.894 315 L HN 0.336 nan 8.230 nan 0.000 0.432 316 A N -1.588 121.051 122.820 -0.303 0.000 1.902 316 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 316 A C 2.249 179.659 177.584 -0.290 0.000 1.181 316 A CA 2.323 54.175 52.037 -0.308 0.000 0.623 316 A CB -1.257 17.688 19.000 -0.092 0.000 0.818 316 A HN 0.539 nan 8.150 nan 0.000 0.443 317 T N 0.649 115.110 114.554 -0.155 0.000 2.684 317 T HA -0.118 4.231 4.350 -0.000 0.000 0.267 317 T C 1.800 176.447 174.700 -0.089 0.000 1.036 317 T CA 1.587 63.649 62.100 -0.063 0.000 1.148 317 T CB -0.425 68.455 68.868 0.020 0.000 0.863 317 T HN 0.389 nan 8.240 nan 0.000 0.436 318 L N 0.257 121.367 121.223 -0.188 0.000 2.093 318 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 318 L C 2.470 179.238 176.870 -0.171 0.000 1.085 318 L CA 0.955 55.715 54.840 -0.134 0.000 0.755 318 L CB -0.618 41.138 42.059 -0.505 0.000 0.904 318 L HN 0.241 nan 8.230 nan 0.000 0.435 319 L N -0.300 120.606 121.223 -0.528 0.000 2.056 319 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 319 L C 2.846 179.311 176.870 -0.675 0.000 1.078 319 L CA 1.101 55.403 54.840 -0.897 0.000 0.749 319 L CB -0.640 40.372 42.059 -1.744 0.000 0.901 319 L HN 0.221 nan 8.230 nan 0.000 0.433 320 A N -0.255 122.314 122.820 -0.418 0.000 2.015 320 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 320 A C 2.081 179.681 177.584 0.027 0.000 1.163 320 A CA 1.106 53.150 52.037 0.012 0.000 0.646 320 A CB -0.541 18.516 19.000 0.095 0.000 0.806 320 A HN 0.401 nan 8.150 nan 0.000 0.448 321 L N -1.344 119.870 121.223 -0.015 0.000 2.599 321 L HA 0.180 4.519 4.340 -0.000 0.000 0.230 321 L C 1.657 178.411 176.870 -0.193 0.000 1.141 321 L CA 0.564 55.397 54.840 -0.012 0.000 0.877 321 L CB -0.146 42.002 42.059 0.148 0.000 1.009 321 L HN 0.590 nan 8.230 nan 0.000 0.447 322 G N -1.563 107.127 108.800 -0.183 0.000 2.176 322 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.232 322 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.232 322 G C -0.020 174.686 174.900 -0.322 0.000 0.986 322 G CA -0.563 44.397 45.100 -0.233 0.000 0.643 322 G HN 0.216 nan 8.290 nan 0.000 0.522 323 Y N 2.544 122.743 120.300 -0.170 0.000 2.442 323 Y HA 0.429 4.979 4.550 -0.000 0.000 0.330 323 Y C -1.239 174.529 175.900 -0.220 0.000 1.129 323 Y CA -1.599 56.381 58.100 -0.201 0.000 1.365 323 Y CB 0.546 38.834 38.460 -0.286 0.000 1.233 323 Y HN 0.039 nan 8.280 nan 0.000 0.529 324 P HA -0.053 nan 4.420 nan 0.000 0.271 324 P C 0.606 177.867 177.300 -0.065 0.000 1.216 324 P CA -0.221 62.859 63.100 -0.034 0.000 0.771 324 P CB 1.420 33.118 31.700 -0.004 0.000 0.864 325 L N 4.711 125.904 121.223 -0.049 0.000 2.012 325 L HA -0.203 4.136 4.340 -0.000 0.000 0.210 325 L C 2.495 179.370 176.870 0.010 0.000 1.073 325 L CA 2.608 57.430 54.840 -0.030 0.000 0.748 325 L CB -1.642 40.454 42.059 0.062 0.000 0.891 325 L HN 0.504 nan 8.230 nan 0.000 0.431 326 A N -0.721 122.113 122.820 0.023 0.000 1.917 326 A HA -0.288 4.031 4.320 -0.000 0.000 0.219 326 A C 1.955 179.557 177.584 0.030 0.000 1.182 326 A CA 2.226 54.281 52.037 0.031 0.000 0.633 326 A CB -1.078 17.936 19.000 0.025 0.000 0.819 326 A HN 0.579 nan 8.150 nan 0.000 0.448 327 D N -0.284 120.123 120.400 0.011 0.000 2.144 327 D HA -0.068 4.572 4.640 -0.000 0.000 0.200 327 D C 1.836 178.151 176.300 0.026 0.000 0.978 327 D CA 0.910 54.919 54.000 0.014 0.000 0.833 327 D CB -0.214 40.587 40.800 0.003 0.000 0.961 327 D HN 0.453 nan 8.370 nan 0.000 0.470 328 L N -0.015 121.186 121.223 -0.037 0.000 2.056 328 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 328 L C 2.288 179.323 176.870 0.275 0.000 1.078 328 L CA 0.676 55.491 54.840 -0.041 0.000 0.749 328 L CB -0.314 41.484 42.059 -0.436 0.000 0.901 328 L HN 0.092 nan 8.230 nan 0.000 0.433 329 L N -0.319 121.007 121.223 0.172 0.000 2.046 329 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 329 L C 2.612 179.567 176.870 0.140 0.000 1.077 329 L CA 1.446 56.401 54.840 0.192 0.000 0.747 329 L CB -0.545 41.599 42.059 0.141 0.000 0.896 329 L HN 0.223 nan 8.230 nan 0.000 0.432 330 K N -0.389 120.074 120.400 0.104 0.000 2.152 330 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 330 K C 1.911 178.550 176.600 0.064 0.000 1.048 330 K CA 1.923 58.250 56.287 0.067 0.000 0.933 330 K CB -0.326 32.203 32.500 0.050 0.000 0.721 330 K HN 0.490 nan 8.250 nan 0.000 0.447 331 T N -2.265 112.361 114.554 0.120 0.000 3.044 331 T HA 0.274 4.624 4.350 -0.000 0.000 0.250 331 T C 1.965 176.634 174.700 -0.051 0.000 1.081 331 T CA 0.311 62.456 62.100 0.075 0.000 1.040 331 T CB 0.310 69.263 68.868 0.142 0.000 0.962 331 T HN 0.107 nan 8.240 nan 0.000 0.506 332 A N 1.871 124.687 122.820 -0.007 0.000 1.986 332 A HA 0.193 4.513 4.320 -0.000 0.000 0.220 332 A C 2.699 180.068 177.584 -0.358 0.000 1.171 332 A CA 1.749 53.588 52.037 -0.331 0.000 0.640 332 A CB -1.293 17.657 19.000 -0.083 0.000 0.811 332 A HN 0.751 nan 8.150 nan 0.000 0.451 333 A N -0.561 122.135 122.820 -0.207 0.000 2.019 333 A HA -0.108 4.211 4.320 -0.000 0.000 0.219 333 A C 2.104 179.624 177.584 -0.106 0.000 1.164 333 A CA 1.297 53.210 52.037 -0.206 0.000 0.644 333 A CB -0.344 18.607 19.000 -0.082 0.000 0.805 333 A HN 0.542 nan 8.150 nan 0.000 0.449 334 R N -0.703 119.719 120.500 -0.130 0.000 2.310 334 R HA 0.266 4.606 4.340 -0.000 0.000 0.202 334 R C -0.402 175.792 176.300 -0.177 0.000 0.933 334 R CA -0.285 55.752 56.100 -0.104 0.000 1.054 334 R CB -0.193 30.047 30.300 -0.101 0.000 0.985 334 R HN 0.416 nan 8.270 nan 0.000 0.489 335 L N 2.026 123.077 121.223 -0.285 0.000 2.456 335 L HA 0.031 4.371 4.340 -0.000 0.000 0.272 335 L C 0.409 177.147 176.870 -0.220 0.000 1.189 335 L CA 0.385 55.018 54.840 -0.346 0.000 0.846 335 L CB 0.460 42.189 42.059 -0.549 0.000 1.111 335 L HN 0.012 nan 8.230 nan 0.000 0.475 336 Q N 3.852 123.514 119.800 -0.230 0.000 2.345 336 Q HA 0.503 4.843 4.340 -0.000 0.000 0.268 336 Q C -2.332 173.524 176.000 -0.240 0.000 1.054 336 Q CA -1.897 53.767 55.803 -0.230 0.000 0.835 336 Q CB 2.100 30.672 28.738 -0.276 0.000 1.339 336 Q HN 0.355 nan 8.270 nan 0.000 0.447 337 P HA 0.159 nan 4.420 nan 0.000 0.272 337 P C -0.415 176.742 177.300 -0.238 0.000 1.240 337 P CA -0.299 62.586 63.100 -0.358 0.000 0.791 337 P CB 0.785 32.088 31.700 -0.662 0.000 0.978 338 V N 0.917 120.822 119.914 -0.015 0.000 2.617 338 V HA 0.114 4.234 4.120 -0.000 0.000 0.298 338 V C 0.983 177.268 176.094 0.319 0.000 1.048 338 V CA -0.716 61.658 62.300 0.124 0.000 0.964 338 V CB 1.475 33.333 31.823 0.058 0.000 1.004 338 V HN 0.852 nan 8.190 nan 0.000 0.466 339 C N 4.524 123.963 119.300 0.233 0.000 2.538 339 C HA 0.401 4.861 4.460 -0.000 0.000 0.408 339 C C 1.694 176.742 174.990 0.097 0.000 1.421 339 C CA 0.971 60.067 59.018 0.130 0.000 1.642 339 C CB -1.498 26.293 27.740 0.084 0.000 2.553 339 C HN 1.712 nan 8.230 nan 0.000 0.604 340 G N 5.573 114.392 108.800 0.032 0.000 2.155 340 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.257 340 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.257 340 G C 0.162 175.156 174.900 0.157 0.000 0.983 340 G CA 0.700 45.858 45.100 0.095 0.000 0.676 340 G HN 0.928 nan 8.290 nan 0.000 0.528 344 V N 4.926 124.820 119.914 -0.032 0.000 2.364 344 V HA 0.433 4.552 4.120 -0.000 0.000 0.272 344 V C -0.438 175.598 176.094 -0.097 0.000 1.036 344 V CA -0.205 62.117 62.300 0.036 0.000 0.880 344 V CB 0.163 32.011 31.823 0.041 0.000 0.991 344 V HN 0.443 nan 8.190 nan 0.000 0.460 345 F N 2.505 122.481 119.950 0.044 0.000 2.411 345 F HA 0.590 5.116 4.527 -0.000 0.000 0.352 345 F C 0.679 176.504 175.800 0.041 0.000 1.123 345 F CA -0.355 57.661 58.000 0.026 0.000 1.044 345 F CB 1.868 40.869 39.000 0.002 0.000 1.135 345 F HN 0.337 nan 8.300 nan 0.000 0.461 346 T N 2.993 117.652 114.554 0.175 0.000 2.841 346 T HA 0.826 5.176 4.350 -0.000 0.000 0.285 346 T C -0.844 173.913 174.700 0.096 0.000 0.991 346 T CA -0.729 61.448 62.100 0.128 0.000 0.966 346 T CB 1.500 70.432 68.868 0.107 0.000 0.962 346 T HN 0.719 nan 8.240 nan 0.000 0.438 347 A N 4.409 127.275 122.820 0.076 0.000 2.520 347 A HA 0.880 5.200 4.320 -0.000 0.000 0.298 347 A C -2.922 174.682 177.584 0.034 0.000 1.051 347 A CA -1.796 50.272 52.037 0.051 0.000 0.690 347 A CB 1.168 20.197 19.000 0.049 0.000 1.281 347 A HN 0.558 nan 8.150 nan 0.000 0.402 348 P HA 0.297 nan 4.420 nan 0.000 0.268 348 P C 0.967 178.272 177.300 0.010 0.000 1.204 348 P CA 1.651 64.762 63.100 0.018 0.000 0.768 348 P CB 0.970 32.679 31.700 0.016 0.000 0.842 349 G N 2.105 110.909 108.800 0.007 0.000 2.234 349 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.260 349 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.260 349 G C 0.129 175.022 174.900 -0.011 0.000 0.987 349 G CA 0.260 45.360 45.100 -0.001 0.000 0.625 349 G HN 0.619 nan 8.290 nan 0.000 0.532 350 K N 0.924 121.318 120.400 -0.010 0.000 2.340 350 K HA 0.567 4.887 4.320 -0.000 0.000 0.244 350 K C -2.515 174.070 176.600 -0.025 0.000 0.973 350 K CA -2.025 54.246 56.287 -0.028 0.000 0.828 350 K CB 2.841 35.323 32.500 -0.030 0.000 1.226 350 K HN 0.021 nan 8.250 nan 0.000 0.437 351 P HA 0.028 nan 4.420 nan 0.000 0.274 351 P C -0.660 176.631 177.300 -0.014 0.000 1.237 351 P CA -0.232 62.837 63.100 -0.053 0.000 0.793 351 P CB 0.496 32.119 31.700 -0.128 0.000 0.977 352 T N 0.983 115.544 114.554 0.010 0.000 2.851 352 T HA 0.263 4.613 4.350 -0.000 0.000 0.298 352 T C 0.131 174.881 174.700 0.083 0.000 0.977 352 T CA -0.079 62.069 62.100 0.080 0.000 1.126 352 T CB 0.109 69.043 68.868 0.110 0.000 0.916 352 T HN 0.098 nan 8.240 nan 0.000 0.529 353 V N 4.324 124.320 119.914 0.136 0.000 2.513 353 V HA 0.509 4.629 4.120 -0.000 0.000 0.299 353 V C -0.189 176.049 176.094 0.240 0.000 1.035 353 V CA -0.778 61.593 62.300 0.119 0.000 0.889 353 V CB 1.929 33.756 31.823 0.007 0.000 0.988 353 V HN 0.657 nan 8.190 nan 0.000 0.440 354 V N 5.069 125.099 119.914 0.192 0.000 2.444 354 V HA 0.442 4.562 4.120 -0.000 0.000 0.294 354 V C -0.242 175.964 176.094 0.186 0.000 1.022 354 V CA -0.626 61.805 62.300 0.219 0.000 0.850 354 V CB 1.893 33.824 31.823 0.181 0.000 0.992 354 V HN 0.607 nan 8.190 nan 0.000 0.426 355 V N 4.154 124.206 119.914 0.231 0.000 2.394 355 V HA 0.538 4.658 4.120 -0.000 0.000 0.282 355 V C -0.443 175.750 176.094 0.165 0.000 1.031 355 V CA -0.098 62.308 62.300 0.177 0.000 0.881 355 V CB 1.664 33.608 31.823 0.203 0.000 0.982 355 V HN 1.012 nan 8.190 nan 0.000 0.451 356 D N 1.864 122.357 120.400 0.155 0.000 2.645 356 D HA 0.310 4.949 4.640 -0.000 0.000 0.228 356 D C 0.031 176.470 176.300 0.231 0.000 1.148 356 D CA -0.548 53.559 54.000 0.177 0.000 0.860 356 D CB 1.596 42.472 40.800 0.125 0.000 1.548 356 D HN 0.371 nan 8.370 nan 0.000 0.460 357 Y N 2.787 123.158 120.300 0.118 0.000 2.439 357 Y HA 0.290 4.840 4.550 -0.000 0.000 0.292 357 Y C 0.882 176.901 175.900 0.198 0.000 1.130 357 Y CA 0.754 58.955 58.100 0.168 0.000 1.254 357 Y CB -0.553 38.045 38.460 0.230 0.000 1.000 357 Y HN 0.516 nan 8.280 nan 0.000 0.554 358 A N 1.980 124.836 122.820 0.060 0.000 2.568 358 A HA -0.166 4.154 4.320 -0.000 0.000 0.273 358 A C 0.519 178.018 177.584 -0.142 0.000 0.978 358 A CA 1.416 53.363 52.037 -0.151 0.000 0.946 358 A CB -1.093 17.820 19.000 -0.146 0.000 0.842 358 A HN 0.721 nan 8.150 nan 0.000 0.484 359 H N 1.557 120.475 119.070 -0.254 0.000 3.007 359 H HA 0.269 4.825 4.556 -0.000 0.000 0.251 359 H C -0.102 175.124 175.328 -0.170 0.000 1.188 359 H CA 0.376 56.297 56.048 -0.212 0.000 1.017 359 H CB -0.759 28.818 29.762 -0.309 0.000 1.805 359 H HN 0.693 nan 8.280 nan 0.000 0.659 360 T N -2.650 111.686 114.554 -0.364 0.000 2.916 360 T HA 0.346 4.696 4.350 -0.000 0.000 0.292 360 T C -2.280 172.305 174.700 -0.192 0.000 1.055 360 T CA -1.936 60.011 62.100 -0.255 0.000 1.009 360 T CB 3.072 71.757 68.868 -0.305 0.000 1.118 360 T HN -0.298 nan 8.240 nan 0.000 0.497 361 P HA -0.103 nan 4.420 nan 0.000 0.215 361 P C 1.233 178.447 177.300 -0.143 0.000 1.157 361 P CA 0.944 63.978 63.100 -0.110 0.000 0.874 361 P CB 0.083 31.746 31.700 -0.061 0.000 0.790 362 D N -1.121 119.191 120.400 -0.146 0.000 2.117 362 D HA -0.111 4.528 4.640 -0.000 0.000 0.198 362 D C 1.852 178.005 176.300 -0.245 0.000 0.982 362 D CA 1.377 55.278 54.000 -0.166 0.000 0.828 362 D CB -0.100 40.621 40.800 -0.131 0.000 0.967 362 D HN -0.012 nan 8.370 nan 0.000 0.464 363 A N 0.754 123.395 122.820 -0.298 0.000 1.898 363 A HA -0.131 4.188 4.320 -0.000 0.000 0.216 363 A C 2.172 179.560 177.584 -0.326 0.000 1.181 363 A CA 0.794 52.594 52.037 -0.394 0.000 0.620 363 A CB -0.639 18.094 19.000 -0.446 0.000 0.819 363 A HN 0.298 nan 8.150 nan 0.000 0.442 364 L N 0.178 121.238 121.223 -0.272 0.000 2.046 364 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 364 L C 2.279 178.990 176.870 -0.265 0.000 1.077 364 L CA 2.671 57.363 54.840 -0.247 0.000 0.747 364 L CB -0.597 41.307 42.059 -0.257 0.000 0.896 364 L HN 0.613 nan 8.230 nan 0.000 0.432 365 E N -0.580 119.445 120.200 -0.293 0.000 2.077 365 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 365 E C 2.127 178.445 176.600 -0.470 0.000 0.989 365 E CA 1.362 57.494 56.400 -0.447 0.000 0.800 365 E CB -0.034 29.404 29.700 -0.437 0.000 0.746 365 E HN 0.505 nan 8.360 nan 0.000 0.452 366 K N -0.070 120.124 120.400 -0.343 0.000 2.097 366 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 366 K C 2.112 178.581 176.600 -0.217 0.000 1.050 366 K CA 0.920 57.044 56.287 -0.273 0.000 0.938 366 K CB -0.067 32.291 32.500 -0.238 0.000 0.718 366 K HN 0.135 nan 8.250 nan 0.000 0.442 367 A N 1.356 124.049 122.820 -0.211 0.000 1.898 367 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 367 A C 2.095 179.619 177.584 -0.100 0.000 1.181 367 A CA 1.127 53.089 52.037 -0.125 0.000 0.620 367 A CB -0.540 18.395 19.000 -0.108 0.000 0.819 367 A HN 0.135 nan 8.150 nan 0.000 0.442 368 L N -0.820 120.317 121.223 -0.144 0.000 2.056 368 L HA -0.240 4.099 4.340 -0.000 0.000 0.207 368 L C 2.888 179.701 176.870 -0.096 0.000 1.078 368 L CA 1.503 56.287 54.840 -0.094 0.000 0.749 368 L CB -0.608 41.400 42.059 -0.085 0.000 0.901 368 L HN 0.483 nan 8.230 nan 0.000 0.433 369 Q N -0.361 119.314 119.800 -0.208 0.000 2.170 369 Q HA -0.190 4.149 4.340 -0.000 0.000 0.203 369 Q C 2.362 178.293 176.000 -0.114 0.000 0.976 369 Q CA 1.565 57.265 55.803 -0.172 0.000 0.858 369 Q CB -0.206 28.369 28.738 -0.272 0.000 0.907 369 Q HN 0.570 nan 8.270 nan 0.000 0.433 370 A N 0.796 123.549 122.820 -0.111 0.000 1.930 370 A HA 0.048 4.368 4.320 -0.000 0.000 0.215 370 A C 2.247 179.830 177.584 -0.003 0.000 1.176 370 A CA 1.185 53.170 52.037 -0.086 0.000 0.632 370 A CB -0.489 18.474 19.000 -0.062 0.000 0.819 370 A HN 0.360 nan 8.150 nan 0.000 0.445 371 A N -0.272 122.562 122.820 0.024 0.000 1.969 371 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 371 A C 2.212 179.839 177.584 0.072 0.000 1.169 371 A CA 1.537 53.625 52.037 0.086 0.000 0.635 371 A CB -0.422 18.624 19.000 0.076 0.000 0.810 371 A HN 0.514 nan 8.150 nan 0.000 0.445 372 R N -0.301 120.222 120.500 0.038 0.000 2.148 372 R HA 0.061 4.400 4.340 -0.000 0.000 0.223 372 R C 1.677 177.997 176.300 0.035 0.000 1.088 372 R CA 0.796 56.916 56.100 0.034 0.000 0.985 372 R CB -0.328 29.996 30.300 0.040 0.000 0.880 372 R HN 0.528 nan 8.270 nan 0.000 0.451 373 L N -0.481 120.762 121.223 0.032 0.000 2.131 373 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 373 L C 1.712 178.645 176.870 0.105 0.000 1.092 373 L CA 1.201 56.064 54.840 0.038 0.000 0.759 373 L CB -0.339 41.709 42.059 -0.018 0.000 0.903 373 L HN 0.325 nan 8.230 nan 0.000 0.435 374 H N -1.375 117.707 119.070 0.020 0.000 2.524 374 H HA 0.199 4.755 4.556 -0.000 0.000 0.299 374 H C -0.726 174.631 175.328 0.049 0.000 1.074 374 H CA -0.920 55.152 56.048 0.040 0.000 1.115 374 H CB -0.026 29.762 29.762 0.044 0.000 1.522 374 H HN 0.154 nan 8.280 nan 0.000 0.543 375 C N 1.040 120.293 119.300 -0.078 0.000 2.356 375 C HA 0.738 5.198 4.460 -0.000 0.000 0.324 375 C C 1.446 176.417 174.990 -0.032 0.000 1.167 375 C CA 0.107 59.063 59.018 -0.103 0.000 1.420 375 C CB -0.740 26.978 27.740 -0.037 0.000 2.036 375 C HN 0.684 nan 8.230 nan 0.000 0.435 376 A N 4.094 126.894 122.820 -0.034 0.000 2.081 376 A HA 0.443 4.762 4.320 -0.000 0.000 0.214 376 A C 1.303 178.895 177.584 0.014 0.000 1.158 376 A CA 1.244 53.281 52.037 0.001 0.000 0.724 376 A CB -0.271 18.733 19.000 0.007 0.000 0.826 376 A HN 1.053 nan 8.150 nan 0.000 0.463 377 G N -0.464 108.348 108.800 0.020 0.000 3.271 377 G HA2 0.431 4.391 3.960 -0.000 0.000 0.174 377 G HA3 0.431 4.391 3.960 -0.000 0.000 0.174 377 G C -0.291 174.646 174.900 0.061 0.000 1.385 377 G CA -0.551 44.577 45.100 0.047 0.000 0.979 377 G HN 0.244 nan 8.290 nan 0.000 0.610 378 K N -0.130 120.338 120.400 0.113 0.000 2.130 378 K HA 0.477 4.797 4.320 -0.000 0.000 0.268 378 K C -1.310 175.407 176.600 0.196 0.000 0.983 378 K CA -0.519 55.832 56.287 0.106 0.000 0.893 378 K CB 1.965 34.514 32.500 0.081 0.000 1.066 378 K HN 0.175 nan 8.250 nan 0.000 0.450 379 L N 4.011 125.294 121.223 0.101 0.000 2.264 379 L HA 0.385 4.725 4.340 -0.000 0.000 0.289 379 L C -1.607 175.355 176.870 0.153 0.000 1.044 379 L CA -0.132 54.804 54.840 0.159 0.000 0.807 379 L CB 0.278 42.386 42.059 0.083 0.000 1.192 379 L HN 0.473 nan 8.230 nan 0.000 0.425 380 W N 4.371 125.688 121.300 0.027 0.000 2.512 380 W HA 0.606 5.266 4.660 -0.000 0.000 0.335 380 W C -0.483 176.069 176.519 0.055 0.000 1.088 380 W CA -0.530 56.842 57.345 0.044 0.000 1.236 380 W CB 1.539 31.024 29.460 0.043 0.000 1.307 380 W HN 0.571 nan 8.180 nan 0.000 0.567 381 C N 3.865 123.343 119.300 0.296 0.000 2.383 381 C HA 0.731 5.191 4.460 -0.000 0.000 0.330 381 C C -0.843 174.356 174.990 0.348 0.000 1.168 381 C CA -0.565 58.595 59.018 0.238 0.000 1.374 381 C CB -0.568 27.238 27.740 0.109 0.000 2.014 381 C HN 0.394 nan 8.230 nan 0.000 0.439 382 V N 8.066 128.165 119.914 0.310 0.000 2.347 382 V HA 0.738 4.858 4.120 -0.000 0.000 0.280 382 V C -0.157 176.142 176.094 0.341 0.000 1.021 382 V CA -0.040 62.426 62.300 0.277 0.000 0.847 382 V CB 0.567 32.489 31.823 0.165 0.000 0.990 382 V HN 0.799 nan 8.190 nan 0.000 0.444 383 F N 2.524 122.496 119.950 0.036 0.000 2.779 383 F HA 1.011 5.538 4.527 -0.000 0.000 0.316 383 F C -0.099 175.703 175.800 0.002 0.000 1.164 383 F CA -0.692 57.318 58.000 0.017 0.000 0.924 383 F CB 1.361 40.371 39.000 0.015 0.000 1.348 383 F HN 0.698 nan 8.300 nan 0.000 0.467 384 G N -0.813 107.893 108.800 -0.155 0.000 2.682 384 G HA2 0.579 4.538 3.960 -0.000 0.000 0.303 384 G HA3 0.579 4.538 3.960 -0.000 0.000 0.303 384 G C -2.324 172.565 174.900 -0.019 0.000 1.341 384 G CA -0.834 44.115 45.100 -0.252 0.000 0.784 384 G HN 0.952 nan 8.290 nan 0.000 0.497 385 C N -0.624 118.654 119.300 -0.038 0.000 2.712 385 C HA 0.809 5.269 4.460 -0.000 0.000 0.308 385 C C 0.909 175.891 174.990 -0.015 0.000 1.201 385 C CA -0.102 58.925 59.018 0.014 0.000 1.554 385 C CB 1.183 28.943 27.740 0.033 0.000 2.117 385 C HN 1.108 nan 8.230 nan 0.000 0.480 386 G N 1.362 110.156 108.800 -0.011 0.000 2.441 386 G HA2 0.475 4.435 3.960 -0.000 0.000 0.243 386 G HA3 0.475 4.435 3.960 -0.000 0.000 0.243 386 G C 0.416 175.313 174.900 -0.005 0.000 1.281 386 G CA 0.208 45.297 45.100 -0.019 0.000 0.854 386 G HN 1.137 nan 8.290 nan 0.000 0.560 387 G N 0.303 109.099 108.800 -0.006 0.000 2.539 387 G HA2 0.414 4.374 3.960 -0.000 0.000 0.258 387 G HA3 0.414 4.374 3.960 -0.000 0.000 0.258 387 G C 0.045 174.956 174.900 0.017 0.000 1.202 387 G CA -0.082 45.020 45.100 0.003 0.000 0.851 387 G HN 0.688 nan 8.290 nan 0.000 0.556 388 D N -0.850 119.564 120.400 0.023 0.000 2.723 388 D HA -0.129 4.511 4.640 -0.000 0.000 0.236 388 D C 0.831 177.161 176.300 0.050 0.000 1.138 388 D CA 1.327 55.348 54.000 0.036 0.000 0.676 388 D CB -0.531 40.290 40.800 0.036 0.000 1.069 388 D HN 0.600 nan 8.370 nan 0.000 0.430 389 R N -0.770 119.759 120.500 0.048 0.000 3.015 389 R HA 0.212 4.552 4.340 -0.000 0.000 0.258 389 R C -0.615 175.719 176.300 0.056 0.000 1.172 389 R CA -0.937 55.202 56.100 0.065 0.000 1.003 389 R CB 0.587 30.923 30.300 0.059 0.000 1.326 389 R HN -0.132 nan 8.270 nan 0.000 0.449 390 D N 2.024 122.459 120.400 0.058 0.000 2.659 390 D HA -0.094 4.546 4.640 -0.000 0.000 0.275 390 D C 0.277 176.596 176.300 0.032 0.000 1.407 390 D CA 0.873 54.898 54.000 0.042 0.000 1.033 390 D CB 0.548 41.357 40.800 0.015 0.000 1.139 390 D HN 0.312 nan 8.370 nan 0.000 0.565 391 K N 1.807 122.227 120.400 0.035 0.000 2.217 391 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 391 K C 2.000 178.617 176.600 0.028 0.000 1.051 391 K CA 0.797 57.101 56.287 0.029 0.000 0.952 391 K CB 0.121 32.638 32.500 0.027 0.000 0.736 391 K HN 0.395 nan 8.250 nan 0.000 0.453 392 G N 2.667 111.484 108.800 0.029 0.000 2.471 392 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 392 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 392 G C 1.322 176.237 174.900 0.025 0.000 1.125 392 G CA 0.706 45.822 45.100 0.027 0.000 0.775 392 G HN 0.375 nan 8.290 nan 0.000 0.548 393 K N 0.331 120.744 120.400 0.021 0.000 2.432 393 K HA 0.144 4.464 4.320 -0.000 0.000 0.196 393 K C 2.193 178.814 176.600 0.035 0.000 1.038 393 K CA 0.019 56.317 56.287 0.017 0.000 0.986 393 K CB -0.104 32.395 32.500 -0.000 0.000 0.782 393 K HN 0.171 nan 8.250 nan 0.000 0.485 394 R N 1.062 121.588 120.500 0.042 0.000 2.070 394 R HA -0.066 4.274 4.340 -0.000 0.000 0.233 394 R C -0.668 175.676 176.300 0.073 0.000 1.137 394 R CA 1.511 57.649 56.100 0.063 0.000 0.945 394 R CB -1.332 28.994 30.300 0.044 0.000 0.845 394 R HN 0.280 nan 8.270 nan 0.000 0.430 395 P HA -0.107 nan 4.420 nan 0.000 0.217 395 P C 0.444 177.771 177.300 0.045 0.000 1.150 395 P CA 1.047 64.174 63.100 0.046 0.000 0.832 395 P CB 0.038 31.756 31.700 0.031 0.000 0.787 399 A N 1.198 124.043 122.820 0.043 0.000 1.902 399 A HA 0.162 4.481 4.320 -0.000 0.000 0.217 399 A C 2.280 179.858 177.584 -0.009 0.000 1.181 399 A CA 1.758 53.799 52.037 0.007 0.000 0.623 399 A CB -0.388 18.615 19.000 0.004 0.000 0.818 399 A HN 0.317 nan 8.150 nan 0.000 0.443 400 I N -0.055 120.518 120.570 0.005 0.000 2.202 400 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 400 I C 2.976 179.111 176.117 0.029 0.000 1.091 400 I CA 1.454 62.791 61.300 0.062 0.000 1.368 400 I CB -1.604 36.407 38.000 0.019 0.000 1.058 400 I HN 0.368 nan 8.210 nan 0.000 0.410 401 A N 0.264 123.013 122.820 -0.118 0.000 1.908 401 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 401 A C 2.370 179.927 177.584 -0.045 0.000 1.181 401 A CA 1.961 53.903 52.037 -0.158 0.000 0.627 401 A CB -0.736 18.082 19.000 -0.303 0.000 0.818 401 A HN 0.529 nan 8.150 nan 0.000 0.445 402 E N -0.196 119.983 120.200 -0.034 0.000 2.051 402 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 402 E C 1.928 178.445 176.600 -0.138 0.000 0.991 402 E CA 1.522 57.879 56.400 -0.071 0.000 0.799 402 E CB -0.124 29.542 29.700 -0.056 0.000 0.748 402 E HN 0.780 nan 8.360 nan 0.000 0.449 403 E N -0.770 119.321 120.200 -0.182 0.000 2.072 403 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 403 E C 1.625 177.937 176.600 -0.479 0.000 0.982 403 E CA 0.928 57.102 56.400 -0.377 0.000 0.803 403 E CB -0.033 29.338 29.700 -0.549 0.000 0.755 403 E HN 0.289 nan 8.360 nan 0.000 0.453 404 F N 0.177 120.072 119.950 -0.091 0.000 2.727 404 F HA 0.294 4.821 4.527 -0.000 0.000 0.302 404 F C 0.674 176.425 175.800 -0.081 0.000 1.097 404 F CA -0.203 57.747 58.000 -0.084 0.000 1.330 404 F CB 0.621 39.569 39.000 -0.088 0.000 1.084 404 F HN -0.134 nan 8.300 nan 0.000 0.578 405 A N -0.388 122.451 122.820 0.031 0.000 2.380 405 A HA 0.484 4.804 4.320 -0.000 0.000 0.315 405 A C 0.329 177.862 177.584 -0.085 0.000 1.101 405 A CA -0.591 51.443 52.037 -0.005 0.000 0.771 405 A CB 0.812 19.814 19.000 0.004 0.000 1.287 405 A HN 0.030 nan 8.150 nan 0.000 0.436 406 D N -0.026 120.306 120.400 -0.115 0.000 2.162 406 D HA 0.081 4.721 4.640 -0.000 0.000 0.203 406 D C 0.156 176.287 176.300 -0.281 0.000 0.967 406 D CA 1.560 55.446 54.000 -0.191 0.000 0.840 406 D CB 0.231 40.923 40.800 -0.179 0.000 0.972 406 D HN 0.211 nan 8.370 nan 0.000 0.482 407 V N 0.735 120.448 119.914 -0.336 0.000 2.525 407 V HA 0.603 4.723 4.120 -0.000 0.000 0.299 407 V C -0.501 175.517 176.094 -0.126 0.000 1.034 407 V CA -1.188 60.879 62.300 -0.387 0.000 0.863 407 V CB 1.758 32.959 31.823 -1.037 0.000 0.999 407 V HN 0.060 nan 8.190 nan 0.000 0.423 408 A N 4.678 127.490 122.820 -0.013 0.000 2.249 408 A HA 0.787 5.106 4.320 -0.000 0.000 0.314 408 A C -0.539 177.143 177.584 0.163 0.000 1.290 408 A CA -0.457 51.664 52.037 0.140 0.000 0.893 408 A CB 1.002 20.101 19.000 0.165 0.000 1.165 408 A HN 0.745 nan 8.150 nan 0.000 0.530 409 V N 4.524 124.573 119.914 0.226 0.000 2.293 409 V HA 0.251 4.371 4.120 -0.000 0.000 0.275 409 V C -0.111 175.986 176.094 0.006 0.000 1.021 409 V CA -0.489 61.898 62.300 0.145 0.000 0.815 409 V CB 1.005 32.951 31.823 0.206 0.000 1.025 409 V HN 0.603 nan 8.190 nan 0.000 0.448 410 V N 4.426 124.267 119.914 -0.121 0.000 2.432 410 V HA 0.631 4.751 4.120 -0.000 0.000 0.275 410 V C 0.411 176.357 176.094 -0.247 0.000 1.043 410 V CA 0.241 62.318 62.300 -0.372 0.000 0.925 410 V CB 1.234 32.864 31.823 -0.321 0.000 0.985 410 V HN 0.937 nan 8.190 nan 0.000 0.466 411 T N 2.250 116.630 114.554 -0.290 0.000 2.618 411 T HA 0.367 4.717 4.350 -0.000 0.000 0.286 411 T C -1.288 173.298 174.700 -0.189 0.000 1.027 411 T CA -0.597 61.392 62.100 -0.184 0.000 1.063 411 T CB 1.801 70.592 68.868 -0.128 0.000 1.440 411 T HN 0.629 nan 8.240 nan 0.000 0.505 412 D N 1.483 121.791 120.400 -0.153 0.000 2.354 412 D HA 0.422 5.061 4.640 -0.000 0.000 0.247 412 D C 0.305 176.523 176.300 -0.137 0.000 1.138 412 D CA -0.253 53.663 54.000 -0.140 0.000 0.958 412 D CB 1.201 41.919 40.800 -0.136 0.000 1.144 412 D HN 0.554 nan 8.370 nan 0.000 0.458 413 D N -0.613 119.721 120.400 -0.110 0.000 3.351 413 D HA 0.064 4.704 4.640 -0.000 0.000 0.189 413 D C -0.690 175.553 176.300 -0.094 0.000 1.205 413 D CA -0.151 53.795 54.000 -0.091 0.000 1.458 413 D CB 0.732 41.496 40.800 -0.059 0.000 1.026 413 D HN 0.098 nan 8.370 nan 0.000 0.166 414 N N 1.250 119.909 118.700 -0.069 0.000 2.816 414 N HA 0.278 5.017 4.740 -0.000 0.000 0.236 414 N C -2.043 173.449 175.510 -0.030 0.000 1.076 414 N CA -1.143 51.879 53.050 -0.047 0.000 0.902 414 N CB 1.850 40.319 38.487 -0.030 0.000 1.149 414 N HN 0.154 nan 8.380 nan 0.000 0.506 415 P HA -0.141 nan 4.420 nan 0.000 0.219 415 P C 0.462 177.757 177.300 -0.009 0.000 1.146 415 P CA 0.905 63.988 63.100 -0.028 0.000 0.808 415 P CB 0.534 32.211 31.700 -0.038 0.000 0.779 416 R N -2.350 118.150 120.500 0.001 0.000 3.853 416 R HA -0.220 4.120 4.340 -0.000 0.000 0.440 416 R C 1.425 177.730 176.300 0.009 0.000 0.241 416 R CA 2.346 58.454 56.100 0.013 0.000 1.395 416 R CB -2.660 27.652 30.300 0.020 0.000 0.984 416 R HN 0.267 nan 8.270 nan 0.000 0.570 417 T N -0.708 113.854 114.554 0.013 0.000 3.107 417 T HA 0.194 4.543 4.350 -0.000 0.000 0.249 417 T C 0.429 175.134 174.700 0.007 0.000 1.096 417 T CA 0.182 62.289 62.100 0.011 0.000 1.012 417 T CB 0.126 69.004 68.868 0.016 0.000 0.977 417 T HN 0.320 nan 8.240 nan 0.000 0.527 418 E N 1.837 122.040 120.200 0.004 0.000 2.313 418 E HA 0.196 4.546 4.350 -0.000 0.000 0.272 418 E C -0.207 176.388 176.600 -0.007 0.000 1.038 418 E CA -0.472 55.929 56.400 0.001 0.000 0.863 418 E CB 0.985 30.686 29.700 0.001 0.000 1.060 418 E HN 0.499 nan 8.360 nan 0.000 0.402 419 E N 3.724 123.919 120.200 -0.008 0.000 2.417 419 E HA -0.029 4.321 4.350 -0.000 0.000 0.261 419 E C -1.867 174.721 176.600 -0.021 0.000 1.000 419 E CA -1.370 55.022 56.400 -0.013 0.000 0.919 419 E CB 0.753 30.446 29.700 -0.011 0.000 0.955 419 E HN 0.179 nan 8.360 nan 0.000 0.455 420 P HA -0.203 nan 4.420 nan 0.000 0.214 420 P C 1.001 178.274 177.300 -0.045 0.000 1.163 420 P CA 1.362 64.437 63.100 -0.041 0.000 0.889 420 P CB 0.115 31.787 31.700 -0.047 0.000 0.790 421 R N -0.726 119.751 120.500 -0.038 0.000 2.189 421 R HA 0.009 4.349 4.340 -0.000 0.000 0.218 421 R C 2.055 178.336 176.300 -0.031 0.000 1.074 421 R CA 1.015 57.092 56.100 -0.038 0.000 0.991 421 R CB -0.586 29.695 30.300 -0.032 0.000 0.883 421 R HN 0.079 nan 8.270 nan 0.000 0.457 422 A N 0.966 123.772 122.820 -0.024 0.000 1.902 422 A HA -0.141 4.178 4.320 -0.000 0.000 0.217 422 A C 2.018 179.592 177.584 -0.018 0.000 1.181 422 A CA 1.161 53.188 52.037 -0.016 0.000 0.623 422 A CB -0.374 18.620 19.000 -0.010 0.000 0.818 422 A HN 0.287 nan 8.150 nan 0.000 0.443 423 I N -0.310 120.245 120.570 -0.025 0.000 2.179 423 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 423 I C 2.281 178.374 176.117 -0.040 0.000 1.088 423 I CA 1.321 62.605 61.300 -0.028 0.000 1.357 423 I CB -0.368 37.611 38.000 -0.036 0.000 1.051 423 I HN 0.295 nan 8.210 nan 0.000 0.409 424 I N 0.932 121.467 120.570 -0.058 0.000 2.208 424 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 424 I C 2.170 178.259 176.117 -0.047 0.000 1.097 424 I CA 1.295 62.550 61.300 -0.076 0.000 1.363 424 I CB -0.603 37.348 38.000 -0.082 0.000 1.051 424 I HN 0.326 nan 8.210 nan 0.000 0.413 425 N N 0.913 119.595 118.700 -0.030 0.000 2.223 425 N HA -0.171 4.569 4.740 -0.000 0.000 0.185 425 N C 1.358 176.864 175.510 -0.006 0.000 1.016 425 N CA 1.358 54.398 53.050 -0.016 0.000 0.863 425 N CB -0.418 38.061 38.487 -0.012 0.000 0.983 425 N HN 0.361 nan 8.380 nan 0.000 0.429 426 D N 0.693 121.091 120.400 -0.004 0.000 2.178 426 D HA -0.003 4.637 4.640 -0.000 0.000 0.202 426 D C 2.062 178.373 176.300 0.020 0.000 0.974 426 D CA 0.366 54.371 54.000 0.008 0.000 0.841 426 D CB -0.090 40.716 40.800 0.010 0.000 0.953 426 D HN 0.319 nan 8.370 nan 0.000 0.478 427 I N 0.276 120.856 120.570 0.016 0.000 2.233 427 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 427 I C 2.228 178.377 176.117 0.054 0.000 1.093 427 I CA 0.655 61.984 61.300 0.048 0.000 1.380 427 I CB -0.143 37.866 38.000 0.016 0.000 1.067 427 I HN -0.030 nan 8.210 nan 0.000 0.413 428 L N 0.767 122.004 121.223 0.023 0.000 2.131 428 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 428 L C 2.723 179.608 176.870 0.025 0.000 1.092 428 L CA 1.009 55.865 54.840 0.026 0.000 0.759 428 L CB -0.755 41.309 42.059 0.008 0.000 0.903 428 L HN 0.223 nan 8.230 nan 0.000 0.435 429 A N 0.230 123.061 122.820 0.019 0.000 2.186 429 A HA 0.056 4.376 4.320 -0.000 0.000 0.219 429 A C 1.362 178.958 177.584 0.019 0.000 1.159 429 A CA 1.165 53.211 52.037 0.016 0.000 0.680 429 A CB -0.888 18.119 19.000 0.013 0.000 0.787 429 A HN 0.404 nan 8.150 nan 0.000 0.467 433 D N 1.995 122.393 120.400 -0.003 0.000 2.514 433 D HA 0.478 5.118 4.640 -0.000 0.000 0.267 433 D C 0.860 177.182 176.300 0.037 0.000 1.165 433 D CA 0.216 54.227 54.000 0.019 0.000 0.958 433 D CB 1.536 42.355 40.800 0.032 0.000 0.992 433 D HN 0.258 nan 8.370 nan 0.000 0.506 434 A N 0.839 123.674 122.820 0.026 0.000 2.272 434 A HA 0.046 4.366 4.320 -0.000 0.000 0.213 434 A C 2.003 179.606 177.584 0.033 0.000 1.183 434 A CA 1.268 53.322 52.037 0.029 0.000 0.719 434 A CB -0.198 18.813 19.000 0.018 0.000 0.771 434 A HN 0.464 nan 8.150 nan 0.000 0.484 435 G N -2.700 106.124 108.800 0.040 0.000 2.796 435 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.210 435 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.210 435 G C 1.356 176.278 174.900 0.037 0.000 1.146 435 G CA 0.587 45.703 45.100 0.026 0.000 0.779 435 G HN 0.635 nan 8.290 nan 0.000 0.535 436 H N 1.007 120.061 119.070 -0.025 0.000 2.551 436 H HA 0.436 4.991 4.556 -0.000 0.000 0.266 436 H C 1.190 176.495 175.328 -0.038 0.000 0.977 436 H CA 0.525 56.551 56.048 -0.036 0.000 1.163 436 H CB 0.036 29.772 29.762 -0.045 0.000 1.381 436 H HN 0.254 nan 8.280 nan 0.000 0.581 437 A N 1.226 124.131 122.820 0.142 0.000 2.354 437 A HA 0.294 4.614 4.320 -0.000 0.000 0.269 437 A C 0.069 177.684 177.584 0.051 0.000 1.109 437 A CA -0.456 51.640 52.037 0.098 0.000 0.800 437 A CB 0.386 19.430 19.000 0.073 0.000 1.045 437 A HN 0.313 nan 8.150 nan 0.000 0.489 438 K N 1.947 122.378 120.400 0.052 0.000 2.284 438 K HA 0.419 4.738 4.320 -0.000 0.000 0.287 438 K C -0.524 176.087 176.600 0.018 0.000 1.081 438 K CA -0.191 56.118 56.287 0.038 0.000 0.910 438 K CB 0.883 33.428 32.500 0.075 0.000 1.088 438 K HN 0.470 nan 8.250 nan 0.000 0.478 442 G N 2.298 111.038 108.800 -0.100 0.000 2.798 442 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.658 442 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.658 442 G C 0.208 175.025 174.900 -0.138 0.000 1.148 442 G CA 0.051 45.083 45.100 -0.114 0.000 1.200 442 G HN 0.551 nan 8.290 nan 0.000 0.519 443 R N 1.284 121.653 120.500 -0.219 0.000 2.083 443 R HA -0.056 4.284 4.340 -0.000 0.000 0.237 443 R C 3.026 179.220 176.300 -0.177 0.000 1.137 443 R CA 2.698 58.652 56.100 -0.242 0.000 0.951 443 R CB -0.231 29.818 30.300 -0.418 0.000 0.851 443 R HN 1.080 nan 8.270 nan 0.000 0.434 444 A N 0.843 123.530 122.820 -0.221 0.000 1.908 444 A HA -0.207 4.112 4.320 -0.000 0.000 0.218 444 A C 1.906 179.496 177.584 0.009 0.000 1.181 444 A CA 1.914 53.966 52.037 0.025 0.000 0.627 444 A CB -0.443 18.614 19.000 0.096 0.000 0.818 444 A HN 0.404 nan 8.150 nan 0.000 0.445 445 E N 0.073 120.254 120.200 -0.031 0.000 2.072 445 E HA 0.023 4.372 4.350 -0.000 0.000 0.191 445 E C 2.232 178.820 176.600 -0.019 0.000 0.985 445 E CA 1.298 57.684 56.400 -0.023 0.000 0.801 445 E CB -0.582 29.100 29.700 -0.030 0.000 0.750 445 E HN 0.574 nan 8.360 nan 0.000 0.452 446 A N 0.529 123.332 122.820 -0.027 0.000 1.877 446 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 446 A C 2.492 180.078 177.584 0.004 0.000 1.186 446 A CA 1.481 53.512 52.037 -0.010 0.000 0.620 446 A CB -0.818 18.167 19.000 -0.025 0.000 0.822 446 A HN 0.148 nan 8.150 nan 0.000 0.443 447 V N -0.071 119.845 119.914 0.003 0.000 2.332 447 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 447 V C 2.764 178.837 176.094 -0.034 0.000 1.055 447 V CA 2.523 64.824 62.300 0.002 0.000 1.038 447 V CB -1.282 30.562 31.823 0.035 0.000 0.651 447 V HN 0.628 nan 8.190 nan 0.000 0.450 448 T N -1.076 113.462 114.554 -0.026 0.000 2.674 448 T HA -0.229 4.121 4.350 -0.000 0.000 0.265 448 T C 1.985 176.647 174.700 -0.063 0.000 1.039 448 T CA 1.948 64.020 62.100 -0.046 0.000 1.150 448 T CB -0.540 68.311 68.868 -0.027 0.000 0.864 448 T HN 0.534 nan 8.240 nan 0.000 0.427 449 C N 1.697 120.973 119.300 -0.040 0.000 2.413 449 C HA 0.002 4.462 4.460 -0.000 0.000 0.276 449 C C 3.233 178.171 174.990 -0.086 0.000 1.236 449 C CA 0.428 59.425 59.018 -0.036 0.000 1.735 449 C CB -1.504 26.240 27.740 0.007 0.000 2.031 449 C HN 0.667 nan 8.230 nan 0.000 0.474 450 A N 0.136 122.903 122.820 -0.089 0.000 1.865 450 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 450 A C 1.373 178.668 177.584 -0.482 0.000 1.191 450 A CA 1.758 53.652 52.037 -0.239 0.000 0.623 450 A CB -0.936 18.029 19.000 -0.057 0.000 0.826 450 A HN 0.372 nan 8.150 nan 0.000 0.444 454 A N 2.088 124.536 122.820 -0.620 0.000 2.483 454 A HA 0.298 4.617 4.320 -0.000 0.000 0.238 454 A C -0.009 177.465 177.584 -0.182 0.000 1.070 454 A CA 0.334 52.025 52.037 -0.577 0.000 0.770 454 A CB 0.321 18.659 19.000 -1.104 0.000 1.008 454 A HN 0.112 nan 8.150 nan 0.000 0.497 455 K N 0.270 120.665 120.400 -0.008 0.000 2.102 455 K HA 0.127 4.447 4.320 -0.000 0.000 0.244 455 K C 1.062 177.656 176.600 -0.011 0.000 1.021 455 K CA -0.153 56.142 56.287 0.013 0.000 0.913 455 K CB 0.656 33.198 32.500 0.070 0.000 1.062 455 K HN 0.876 nan 8.250 nan 0.000 0.485 456 E N 1.220 121.418 120.200 -0.003 0.000 2.153 456 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 456 E C 1.049 177.651 176.600 0.003 0.000 0.988 456 E CA 1.392 57.790 56.400 -0.004 0.000 0.811 456 E CB 0.096 29.798 29.700 0.003 0.000 0.746 456 E HN 0.555 nan 8.360 nan 0.000 0.466 457 N N 0.473 119.183 118.700 0.017 0.000 2.336 457 N HA -0.042 4.697 4.740 -0.000 0.000 0.189 457 N C -0.411 175.110 175.510 0.019 0.000 1.113 457 N CA 0.147 53.206 53.050 0.015 0.000 0.858 457 N CB 0.092 38.593 38.487 0.024 0.000 0.970 457 N HN 0.006 nan 8.380 nan 0.000 0.471 458 D N 0.646 121.070 120.400 0.041 0.000 2.387 458 D HA 0.325 4.965 4.640 -0.000 0.000 0.251 458 D C -0.231 176.087 176.300 0.030 0.000 1.141 458 D CA -0.337 53.718 54.000 0.092 0.000 0.987 458 D CB 2.292 43.209 40.800 0.195 0.000 1.116 458 D HN -0.211 nan 8.370 nan 0.000 0.491 459 V N 0.859 120.823 119.914 0.085 0.000 2.588 459 V HA 0.328 4.447 4.120 -0.000 0.000 0.304 459 V C -0.266 175.900 176.094 0.120 0.000 1.042 459 V CA -0.796 61.532 62.300 0.046 0.000 0.877 459 V CB 2.172 33.998 31.823 0.004 0.000 0.996 459 V HN 0.240 nan 8.190 nan 0.000 0.425 460 V N 5.688 125.638 119.914 0.060 0.000 2.378 460 V HA 0.446 4.565 4.120 -0.000 0.000 0.288 460 V C -0.436 175.721 176.094 0.104 0.000 1.016 460 V CA -0.549 61.800 62.300 0.082 0.000 0.840 460 V CB 1.591 33.373 31.823 -0.069 0.000 0.994 460 V HN 0.674 nan 8.190 nan 0.000 0.431 461 L N 6.913 128.221 121.223 0.141 0.000 2.264 461 L HA 0.586 4.926 4.340 -0.000 0.000 0.289 461 L C -0.315 176.629 176.870 0.124 0.000 1.044 461 L CA 0.251 55.163 54.840 0.119 0.000 0.807 461 L CB 1.470 43.588 42.059 0.098 0.000 1.192 461 L HN 0.453 nan 8.230 nan 0.000 0.425 462 V N 6.246 126.224 119.914 0.107 0.000 2.294 462 V HA 0.750 4.870 4.120 -0.000 0.000 0.272 462 V C 0.423 176.587 176.094 0.117 0.000 1.027 462 V CA -0.160 62.205 62.300 0.107 0.000 0.823 462 V CB 0.481 32.343 31.823 0.066 0.000 1.030 462 V HN 0.945 nan 8.190 nan 0.000 0.457 463 A N 3.276 126.178 122.820 0.136 0.000 2.330 463 A HA 0.926 5.246 4.320 -0.000 0.000 0.329 463 A C 1.101 178.763 177.584 0.131 0.000 1.135 463 A CA 0.196 52.306 52.037 0.122 0.000 0.817 463 A CB 1.525 20.570 19.000 0.074 0.000 1.269 463 A HN 1.646 nan 8.150 nan 0.000 0.469 464 G N -0.060 108.803 108.800 0.106 0.000 2.339 464 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.209 464 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.209 464 G C 0.909 175.826 174.900 0.028 0.000 1.015 464 G CA 0.634 45.773 45.100 0.066 0.000 0.635 464 G HN 0.701 nan 8.290 nan 0.000 0.499 465 K N 0.424 120.882 120.400 0.097 0.000 2.365 465 K HA 0.408 4.728 4.320 -0.000 0.000 0.195 465 K C 2.051 178.748 176.600 0.162 0.000 1.079 465 K CA 0.940 57.272 56.287 0.075 0.000 0.979 465 K CB 0.609 33.111 32.500 0.004 0.000 0.929 465 K HN 1.024 nan 8.250 nan 0.000 0.523 466 G N 2.668 111.609 108.800 0.236 0.000 2.672 466 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.332 466 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.332 466 G C 0.787 175.699 174.900 0.020 0.000 1.213 466 G CA 1.107 46.328 45.100 0.201 0.000 0.980 466 G HN 0.582 nan 8.290 nan 0.000 0.548 467 H N 2.251 121.294 119.070 -0.044 0.000 2.535 467 H HA 0.260 4.816 4.556 -0.000 0.000 0.273 467 H C 1.020 176.328 175.328 -0.034 0.000 0.983 467 H CA 0.975 56.992 56.048 -0.051 0.000 1.238 467 H CB -0.368 29.340 29.762 -0.090 0.000 1.412 467 H HN 0.687 nan 8.280 nan 0.000 0.562 468 E N 2.234 121.985 120.200 -0.749 0.000 2.608 468 E HA -0.083 4.267 4.350 -0.000 0.000 0.259 468 E C -0.070 176.371 176.600 -0.264 0.000 0.951 468 E CA 0.793 56.874 56.400 -0.532 0.000 0.945 468 E CB 0.355 29.640 29.700 -0.692 0.000 0.916 468 E HN 0.616 nan 8.360 nan 0.000 0.477 469 D N 1.997 122.362 120.400 -0.058 0.000 2.593 469 D HA 0.064 4.704 4.640 -0.000 0.000 0.241 469 D C -0.713 175.665 176.300 0.129 0.000 1.257 469 D CA -0.361 53.642 54.000 0.006 0.000 0.828 469 D CB -0.193 40.643 40.800 0.059 0.000 1.049 469 D HN 0.365 nan 8.370 nan 0.000 0.490 470 Y N -2.545 117.768 120.300 0.021 0.000 2.615 470 Y HA 0.701 5.251 4.550 -0.000 0.000 0.341 470 Y C -1.197 174.762 175.900 0.099 0.000 1.089 470 Y CA -1.439 56.696 58.100 0.058 0.000 1.049 470 Y CB 1.176 39.654 38.460 0.029 0.000 1.296 470 Y HN -0.098 nan 8.280 nan 0.000 0.470 471 Q N 1.847 121.747 119.800 0.167 0.000 2.285 471 Q HA 0.569 4.909 4.340 -0.000 0.000 0.269 471 Q C -1.851 174.218 176.000 0.116 0.000 1.030 471 Q CA -0.672 55.164 55.803 0.055 0.000 0.788 471 Q CB 1.960 30.702 28.738 0.007 0.000 1.266 471 Q HN 0.846 nan 8.270 nan 0.000 0.438 472 I N 4.123 124.755 120.570 0.103 0.000 2.301 472 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 472 I C -0.614 175.525 176.117 0.036 0.000 1.046 472 I CA -0.655 60.704 61.300 0.098 0.000 1.282 472 I CB 1.011 39.081 38.000 0.117 0.000 1.409 472 I HN 0.261 nan 8.210 nan 0.000 0.484 473 V N 6.201 126.132 119.914 0.028 0.000 2.444 473 V HA 0.697 4.817 4.120 -0.000 0.000 0.294 473 V C 0.813 176.914 176.094 0.012 0.000 1.022 473 V CA -0.014 62.289 62.300 0.005 0.000 0.850 473 V CB 0.825 32.643 31.823 -0.008 0.000 0.992 473 V HN 1.100 nan 8.190 nan 0.000 0.426 474 G N 5.074 113.879 108.800 0.008 0.000 2.561 474 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.289 474 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.289 474 G C 0.617 175.528 174.900 0.018 0.000 1.169 474 G CA 0.609 45.716 45.100 0.011 0.000 0.980 474 G HN 1.091 nan 8.290 nan 0.000 0.550 475 N N 1.245 119.955 118.700 0.018 0.000 2.187 475 N HA 0.082 4.822 4.740 -0.000 0.000 0.212 475 N C 0.414 175.936 175.510 0.020 0.000 1.152 475 N CA 0.343 53.405 53.050 0.019 0.000 0.872 475 N CB 0.457 38.954 38.487 0.017 0.000 1.025 475 N HN 0.811 nan 8.380 nan 0.000 0.514 476 Q N 0.787 120.601 119.800 0.023 0.000 2.235 476 Q HA 0.337 4.676 4.340 -0.000 0.000 0.250 476 Q C -0.537 175.489 176.000 0.044 0.000 0.909 476 Q CA -0.408 55.411 55.803 0.026 0.000 0.910 476 Q CB 1.918 30.669 28.738 0.022 0.000 1.223 476 Q HN 0.053 nan 8.270 nan 0.000 0.432 477 R N 2.463 122.990 120.500 0.045 0.000 2.287 477 R HA 0.306 4.646 4.340 -0.000 0.000 0.327 477 R C -0.604 175.752 176.300 0.094 0.000 1.109 477 R CA -0.185 55.964 56.100 0.081 0.000 1.013 477 R CB 0.242 30.550 30.300 0.014 0.000 1.126 477 R HN 0.442 nan 8.270 nan 0.000 0.503 478 L N 1.551 122.842 121.223 0.114 0.000 2.418 478 L HA 0.214 4.553 4.340 -0.000 0.000 0.265 478 L C 0.399 177.357 176.870 0.147 0.000 1.143 478 L CA -0.609 54.293 54.840 0.102 0.000 0.809 478 L CB 0.789 42.894 42.059 0.076 0.000 1.124 478 L HN 0.428 nan 8.230 nan 0.000 0.456 479 D N 1.431 121.903 120.400 0.119 0.000 2.339 479 D HA 0.269 4.908 4.640 -0.000 0.000 0.256 479 D C -1.200 175.196 176.300 0.161 0.000 1.214 479 D CA 0.350 54.422 54.000 0.119 0.000 0.877 479 D CB 0.301 41.142 40.800 0.068 0.000 1.111 479 D HN 0.364 nan 8.370 nan 0.000 0.478 480 Y N 2.300 122.609 120.300 0.015 0.000 2.409 480 Y HA 0.376 4.926 4.550 -0.000 0.000 0.321 480 Y C -1.882 173.989 175.900 -0.048 0.000 1.209 480 Y CA -0.807 57.280 58.100 -0.022 0.000 1.086 480 Y CB 1.218 39.657 38.460 -0.036 0.000 1.320 480 Y HN 0.315 nan 8.280 nan 0.000 0.440 481 S N 4.525 119.532 115.700 -1.154 0.000 2.619 481 S HA 0.337 4.807 4.470 -0.000 0.000 0.280 481 S C -0.341 173.730 174.600 -0.881 0.000 1.150 481 S CA -0.604 57.128 58.200 -0.779 0.000 0.978 481 S CB 1.142 64.130 63.200 -0.352 0.000 1.041 481 S HN 0.820 nan 8.310 nan 0.000 0.485 482 D N 3.546 123.660 120.400 -0.477 0.000 2.117 482 D HA -0.044 4.596 4.640 -0.000 0.000 0.197 482 D C 1.875 178.032 176.300 -0.237 0.000 0.987 482 D CA 1.196 55.068 54.000 -0.215 0.000 0.829 482 D CB 0.044 40.833 40.800 -0.018 0.000 0.961 482 D HN 0.599 nan 8.370 nan 0.000 0.460 483 R N 0.324 120.717 120.500 -0.179 0.000 2.091 483 R HA -0.082 4.258 4.340 -0.000 0.000 0.238 483 R C 2.417 178.610 176.300 -0.177 0.000 1.136 483 R CA 0.800 56.831 56.100 -0.115 0.000 0.959 483 R CB -0.420 29.900 30.300 0.034 0.000 0.856 483 R HN 0.088 nan 8.270 nan 0.000 0.437 484 V N 0.427 120.229 119.914 -0.186 0.000 2.379 484 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 484 V C 2.144 178.121 176.094 -0.195 0.000 1.044 484 V CA 2.065 64.269 62.300 -0.161 0.000 1.036 484 V CB -0.478 31.250 31.823 -0.159 0.000 0.664 484 V HN 0.403 nan 8.190 nan 0.000 0.453 485 T N 0.153 114.555 114.554 -0.252 0.000 2.684 485 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 485 T C 1.957 176.531 174.700 -0.209 0.000 1.036 485 T CA 1.793 63.778 62.100 -0.192 0.000 1.148 485 T CB -0.261 68.518 68.868 -0.148 0.000 0.863 485 T HN 0.271 nan 8.240 nan 0.000 0.436 486 V N 1.651 121.373 119.914 -0.319 0.000 2.295 486 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 486 V C 2.896 178.709 176.094 -0.468 0.000 1.049 486 V CA 1.670 63.694 62.300 -0.460 0.000 1.024 486 V CB -1.240 30.118 31.823 -0.775 0.000 0.648 486 V HN 0.533 nan 8.190 nan 0.000 0.447 487 A N -0.074 122.478 122.820 -0.447 0.000 1.908 487 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 487 A C 2.376 179.914 177.584 -0.077 0.000 1.181 487 A CA 1.997 53.947 52.037 -0.146 0.000 0.627 487 A CB -0.517 18.512 19.000 0.048 0.000 0.818 487 A HN 0.512 nan 8.150 nan 0.000 0.445 488 R N -0.678 119.763 120.500 -0.097 0.000 2.081 488 R HA -0.017 4.323 4.340 -0.000 0.000 0.235 488 R C 2.075 178.337 176.300 -0.064 0.000 1.131 488 R CA 1.386 57.448 56.100 -0.064 0.000 0.960 488 R CB -0.483 29.778 30.300 -0.065 0.000 0.856 488 R HN 0.520 nan 8.270 nan 0.000 0.436 489 L N 0.476 121.643 121.223 -0.093 0.000 2.046 489 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 489 L C 2.157 178.988 176.870 -0.065 0.000 1.077 489 L CA 1.185 55.976 54.840 -0.083 0.000 0.747 489 L CB -0.272 41.722 42.059 -0.107 0.000 0.896 489 L HN 0.227 nan 8.230 nan 0.000 0.432 490 L N -0.943 120.242 121.223 -0.065 0.000 2.477 490 L HA 0.169 4.509 4.340 -0.000 0.000 0.220 490 L C 1.445 178.320 176.870 0.010 0.000 1.106 490 L CA 0.620 55.448 54.840 -0.019 0.000 0.851 490 L CB -0.493 41.573 42.059 0.012 0.000 0.994 490 L HN 0.494 nan 8.230 nan 0.000 0.462 491 G N 1.529 110.333 108.800 0.007 0.000 2.160 491 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 491 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 491 G C 0.075 175.001 174.900 0.043 0.000 1.022 491 G CA 0.354 45.464 45.100 0.017 0.000 0.741 491 G HN 0.372 nan 8.290 nan 0.000 0.508 492 V N -2.816 117.149 119.914 0.085 0.000 3.178 492 V HA 0.854 4.973 4.120 -0.000 0.000 0.302 492 V C 0.350 176.563 176.094 0.198 0.000 1.262 492 V CA -1.101 61.263 62.300 0.107 0.000 1.030 492 V CB 1.740 33.620 31.823 0.095 0.000 1.074 492 V HN 1.129 nan 8.190 nan 0.000 0.438 493 I N 0.597 121.235 120.570 0.113 0.000 3.078 493 I HA 0.923 5.093 4.170 -0.000 0.000 0.318 493 I C 0.677 176.689 176.117 -0.175 0.000 1.016 493 I CA -0.555 60.788 61.300 0.071 0.000 1.130 493 I CB 1.336 39.334 38.000 -0.003 0.000 1.397 493 I HN 1.031 nan 8.210 nan 0.000 0.570 494 A N 2.540 124.976 122.820 -0.639 0.000 2.444 494 A HA 0.208 4.527 4.320 -0.000 0.000 0.273 494 A C 1.306 178.724 177.584 -0.276 0.000 1.136 494 A CA -0.300 51.269 52.037 -0.781 0.000 0.799 494 A CB -0.032 18.296 19.000 -1.120 0.000 1.081 494 A HN 0.911 nan 8.150 nan 0.000 0.509 495 R N 2.119 122.519 120.500 -0.167 0.000 2.148 495 R HA -0.135 4.205 4.340 -0.000 0.000 0.227 495 R C 2.153 178.419 176.300 -0.057 0.000 1.103 495 R CA 1.817 57.870 56.100 -0.079 0.000 0.983 495 R CB -0.090 30.179 30.300 -0.051 0.000 0.874 495 R HN 0.914 nan 8.270 nan 0.000 0.451 496 S N -0.750 114.929 115.700 -0.035 0.000 2.399 496 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 496 S C 0.290 174.886 174.600 -0.006 0.000 1.022 496 S CA 0.649 58.852 58.200 0.006 0.000 0.983 496 S CB -0.309 62.943 63.200 0.087 0.000 0.803 496 S HN 0.320 nan 8.310 nan 0.000 0.480 497 H N 0.720 119.725 119.070 -0.108 0.000 2.467 497 H HA 0.663 5.219 4.556 -0.000 0.000 0.331 497 H C 0.160 175.507 175.328 0.032 0.000 1.120 497 H CA -0.079 55.945 56.048 -0.040 0.000 1.270 497 H CB 0.396 30.143 29.762 -0.026 0.000 1.466 497 H HN 0.387 nan 8.280 nan 0.000 0.504 498 H N 0.000 119.053 119.070 -0.028 0.000 2.539 498 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 498 H CA 0.000 56.021 56.048 -0.044 0.000 1.023 498 H CB 0.000 29.753 29.762 -0.015 0.000 1.292 498 H HN 0.000 nan 8.280 nan 0.000 0.496