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 2glf_1_D DATA FIRST_RESID 3 DATA SEQUENCE KXERKNVWHH RKKEEIEAFS KEYXEFXSKA KTERXTVKEI KRILDESGFV DATA SEQUENCE PLEDFAGDPX NXTVYAVNRG KAIAAFRVVD DLKRGLNLVV AHIDSPRLDF DATA SEQUENCE KPNPLIEDEQ IALFKTHYYG GIKKYHWLSI PLEIHGVLFK NDGTEIEIHI DATA SEQUENCE GDKPEDPVFT IPDLLPHLDK EDAKISEKFK GENLXLIAGT IPLSGEEKEA DATA SEQUENCE VKTNVLKILN EXYGITEEDF VSGEIEVVPA FSPREVGXDR SLIGAYGQDD DATA SEQUENCE RICAYTALRA LLSANPEKSI GVIFFDKEEI GSDGNTGAKA RFYLKALRQI DATA SEQUENCE LKXQGAKDSE FVLDEVLENT SVISGDVCAA VNPPYKDVHD LHNAPKLGYG DATA SEQUENCE VALVKYTGAR GKYSTNDAHA EFVARVRKVL NEQGVIWQVA TLGKVDQGGG DATA SEQUENCE GTIAKFFAER GSDVIDXGPA LLGXHSPFEI SSKADLFETY VAYRSLXEKL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.591 176.600 -0.016 0.000 0.988 3 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 3 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 6 R N 1.509 121.959 120.500 -0.082 0.000 2.254 6 R HA 0.477 4.817 4.340 0.001 0.000 0.318 6 R C -0.360 176.038 176.300 0.163 0.000 1.031 6 R CA -0.836 55.243 56.100 -0.035 0.000 0.905 6 R CB 1.105 31.365 30.300 -0.068 0.000 1.050 6 R HN 0.403 nan 8.270 nan 0.000 0.456 7 K N 1.750 122.197 120.400 0.080 0.000 2.144 7 K HA 0.133 4.454 4.320 0.001 0.000 0.270 7 K C -0.043 176.588 176.600 0.052 0.000 1.005 7 K CA -0.708 55.651 56.287 0.121 0.000 0.932 7 K CB 0.807 33.263 32.500 -0.074 0.000 1.021 7 K HN 0.369 nan 8.250 nan 0.000 0.462 8 N N 1.947 120.619 118.700 -0.048 0.000 2.434 8 N HA 0.026 4.766 4.740 0.001 0.000 0.272 8 N C 0.864 176.294 175.510 -0.134 0.000 1.040 8 N CA -0.070 52.701 53.050 -0.464 0.000 0.956 8 N CB 1.411 39.495 38.487 -0.670 0.000 1.108 8 N HN 0.287 nan 8.380 nan 0.000 0.481 9 V N 4.010 123.799 119.914 -0.209 0.000 2.324 9 V HA -0.255 3.865 4.120 0.001 0.000 0.250 9 V C 1.465 177.465 176.094 -0.156 0.000 1.060 9 V CA 1.677 63.884 62.300 -0.156 0.000 1.042 9 V CB -0.728 30.921 31.823 -0.291 0.000 0.650 9 V HN 0.735 nan 8.190 nan 0.000 0.450 10 W N -0.401 120.792 121.300 -0.178 0.000 2.424 10 W HA -0.138 4.522 4.660 0.000 0.000 0.264 10 W C 2.210 178.698 176.519 -0.052 0.000 1.229 10 W CA 1.361 58.615 57.345 -0.152 0.000 1.208 10 W CB -0.526 28.798 29.460 -0.226 0.000 1.127 10 W HN 0.416 nan 8.180 nan 0.000 0.588 11 H N -3.002 116.071 119.070 0.006 0.000 2.586 11 H HA 0.122 4.679 4.556 0.001 0.000 0.273 11 H C 0.742 175.766 175.328 -0.506 0.000 0.997 11 H CA 0.376 56.290 56.048 -0.224 0.000 1.177 11 H CB 0.262 29.843 29.762 -0.301 0.000 1.471 11 H HN 0.229 nan 8.280 nan 0.000 0.538 12 H N -0.528 118.598 119.070 0.094 0.000 3.182 12 H HA 0.298 4.854 4.556 0.001 0.000 0.254 12 H C 0.066 175.406 175.328 0.020 0.000 1.197 12 H CA -0.032 56.042 56.048 0.043 0.000 1.061 12 H CB 1.112 30.887 29.762 0.023 0.000 1.722 12 H HN 0.077 nan 8.280 nan 0.000 0.662 13 R N 0.958 121.498 120.500 0.067 0.000 2.740 13 R HA 0.315 4.655 4.340 0.001 0.000 0.273 13 R C -0.188 176.073 176.300 -0.064 0.000 0.998 13 R CA -0.790 55.318 56.100 0.013 0.000 0.900 13 R CB 2.257 32.553 30.300 -0.006 0.000 1.223 13 R HN 0.019 nan 8.270 nan 0.000 0.466 14 K N 2.402 122.747 120.400 -0.093 0.000 2.412 14 K HA -0.010 4.310 4.320 0.001 0.000 0.284 14 K C 1.295 177.801 176.600 -0.156 0.000 1.046 14 K CA 0.180 56.411 56.287 -0.094 0.000 0.999 14 K CB 0.881 33.340 32.500 -0.069 0.000 0.941 14 K HN 0.424 nan 8.250 nan 0.000 0.474 15 K N 3.630 124.005 120.400 -0.042 0.000 2.015 15 K HA -0.252 4.069 4.320 0.001 0.000 0.216 15 K C 1.323 177.900 176.600 -0.038 0.000 1.052 15 K CA 2.092 58.394 56.287 0.025 0.000 0.937 15 K CB 0.140 32.695 32.500 0.092 0.000 0.719 15 K HN 0.644 nan 8.250 nan 0.000 0.446 16 E N 0.798 120.976 120.200 -0.037 0.000 2.118 16 E HA -0.232 4.118 4.350 0.001 0.000 0.195 16 E C 1.761 178.311 176.600 -0.082 0.000 0.992 16 E CA 1.430 57.809 56.400 -0.035 0.000 0.804 16 E CB -0.456 29.235 29.700 -0.015 0.000 0.741 16 E HN 0.545 nan 8.360 nan 0.000 0.458 17 E N 0.767 120.865 120.200 -0.171 0.000 2.047 17 E HA -0.081 4.270 4.350 0.001 0.000 0.191 17 E C 2.434 178.768 176.600 -0.443 0.000 0.987 17 E CA 0.984 57.230 56.400 -0.257 0.000 0.799 17 E CB -0.170 29.331 29.700 -0.332 0.000 0.752 17 E HN 0.313 nan 8.360 nan 0.000 0.449 18 I N 1.244 121.419 120.570 -0.658 0.000 2.179 18 I HA -0.240 3.930 4.170 0.001 0.000 0.242 18 I C 2.559 178.600 176.117 -0.127 0.000 1.088 18 I CA 0.930 61.878 61.300 -0.588 0.000 1.357 18 I CB -0.283 37.360 38.000 -0.596 0.000 1.051 18 I HN 0.039 nan 8.210 nan 0.000 0.409 19 E N 1.125 121.295 120.200 -0.049 0.000 2.058 19 E HA -0.233 4.117 4.350 0.001 0.000 0.194 19 E C 2.280 178.912 176.600 0.054 0.000 0.997 19 E CA 1.681 58.108 56.400 0.045 0.000 0.801 19 E CB -0.287 29.443 29.700 0.050 0.000 0.746 19 E HN 0.486 nan 8.360 nan 0.000 0.450 20 A N 0.687 123.532 122.820 0.041 0.000 1.851 20 A HA -0.207 4.114 4.320 0.001 0.000 0.216 20 A C 2.184 179.830 177.584 0.103 0.000 1.195 20 A CA 1.605 53.681 52.037 0.064 0.000 0.622 20 A CB -1.151 17.888 19.000 0.065 0.000 0.831 20 A HN 0.334 nan 8.150 nan 0.000 0.444 21 F N 0.823 120.788 119.950 0.025 0.000 2.236 21 F HA -0.160 4.367 4.527 0.001 0.000 0.302 21 F C 2.690 178.562 175.800 0.119 0.000 1.073 21 F CA 1.577 59.626 58.000 0.081 0.000 1.336 21 F CB -0.180 38.917 39.000 0.162 0.000 1.040 21 F HN 0.240 nan 8.300 nan 0.000 0.507 22 S N -0.257 115.541 115.700 0.163 0.000 2.371 22 S HA -0.143 4.327 4.470 0.001 0.000 0.224 22 S C 2.057 176.694 174.600 0.062 0.000 1.029 22 S CA 1.162 59.446 58.200 0.140 0.000 0.978 22 S CB -0.207 63.083 63.200 0.150 0.000 0.833 22 S HN 0.432 nan 8.310 nan 0.000 0.466 23 K N 0.664 121.077 120.400 0.020 0.000 2.217 23 K HA -0.024 4.297 4.320 0.001 0.000 0.202 23 K C 1.956 178.512 176.600 -0.074 0.000 1.051 23 K CA 1.207 57.484 56.287 -0.016 0.000 0.952 23 K CB -0.093 32.405 32.500 -0.002 0.000 0.736 23 K HN 0.576 nan 8.250 nan 0.000 0.453 24 E N 0.239 120.374 120.200 -0.108 0.000 2.107 24 E HA -0.148 4.202 4.350 0.001 0.000 0.191 24 E C 0.849 177.247 176.600 -0.337 0.000 0.982 24 E CA 0.437 56.743 56.400 -0.156 0.000 0.809 24 E CB -0.239 29.379 29.700 -0.137 0.000 0.756 24 E HN 0.183 nan 8.360 nan 0.000 0.459 31 K N 2.333 122.530 120.400 -0.338 0.000 2.335 31 K HA 0.470 4.791 4.320 0.001 0.000 0.195 31 K C 0.661 177.001 176.600 -0.433 0.000 1.058 31 K CA 0.828 56.887 56.287 -0.380 0.000 0.988 31 K CB 0.292 32.547 32.500 -0.408 0.000 0.880 31 K HN 0.282 nan 8.250 nan 0.000 0.513 32 A N 1.471 123.978 122.820 -0.522 0.000 3.078 32 A HA 0.159 4.480 4.320 0.001 0.000 0.279 32 A C 0.534 178.005 177.584 -0.188 0.000 1.594 32 A CA -0.076 51.708 52.037 -0.422 0.000 1.301 32 A CB -0.048 18.605 19.000 -0.580 0.000 1.162 32 A HN -0.049 nan 8.150 nan 0.000 0.585 33 K N 0.303 120.613 120.400 -0.150 0.000 2.308 33 K HA 0.064 4.385 4.320 0.001 0.000 0.197 33 K C 1.007 177.673 176.600 0.111 0.000 1.049 33 K CA 1.464 57.771 56.287 0.034 0.000 0.991 33 K CB 0.189 32.658 32.500 -0.051 0.000 0.836 33 K HN 0.743 nan 8.250 nan 0.000 0.500 34 T N -1.338 113.207 114.554 -0.014 0.000 2.888 34 T HA 0.228 4.578 4.350 0.001 0.000 0.288 34 T C 0.995 175.682 174.700 -0.021 0.000 1.063 34 T CA -0.725 61.383 62.100 0.012 0.000 1.010 34 T CB 2.073 70.931 68.868 -0.016 0.000 1.214 34 T HN -0.001 nan 8.240 nan 0.000 0.533 35 E N 0.604 120.799 120.200 -0.009 0.000 2.274 35 E HA -0.034 4.316 4.350 0.001 0.000 0.194 35 E C 0.549 177.125 176.600 -0.040 0.000 0.996 35 E CA 0.337 56.734 56.400 -0.004 0.000 0.840 35 E CB -0.083 29.633 29.700 0.027 0.000 0.772 35 E HN 0.604 nan 8.360 nan 0.000 0.491 39 V N 2.721 122.547 119.914 -0.146 0.000 2.261 39 V HA -0.162 3.958 4.120 0.001 0.000 0.246 39 V C 2.562 178.554 176.094 -0.171 0.000 1.047 39 V CA 2.533 64.735 62.300 -0.164 0.000 1.015 39 V CB -0.511 31.246 31.823 -0.110 0.000 0.642 39 V HN 0.441 nan 8.190 nan 0.000 0.446 40 K N 0.130 120.445 120.400 -0.142 0.000 2.020 40 K HA -0.309 4.012 4.320 0.001 0.000 0.212 40 K C 2.187 178.696 176.600 -0.151 0.000 1.050 40 K CA 2.331 58.539 56.287 -0.131 0.000 0.929 40 K CB -0.209 32.222 32.500 -0.116 0.000 0.714 40 K HN 0.382 nan 8.250 nan 0.000 0.443 41 E N 0.757 120.847 120.200 -0.184 0.000 2.150 41 E HA -0.103 4.248 4.350 0.001 0.000 0.193 41 E C 1.808 178.367 176.600 -0.067 0.000 0.985 41 E CA 1.152 57.446 56.400 -0.177 0.000 0.814 41 E CB -0.066 29.409 29.700 -0.375 0.000 0.752 41 E HN 0.445 nan 8.360 nan 0.000 0.466 42 I N 0.044 120.554 120.570 -0.100 0.000 2.235 42 I HA -0.205 3.965 4.170 0.001 0.000 0.241 42 I C 2.461 178.428 176.117 -0.250 0.000 1.085 42 I CA 1.029 62.239 61.300 -0.151 0.000 1.378 42 I CB -0.285 37.483 38.000 -0.386 0.000 1.076 42 I HN 0.096 nan 8.210 nan 0.000 0.415 43 K N 1.777 121.994 120.400 -0.305 0.000 2.059 43 K HA -0.279 4.042 4.320 0.001 0.000 0.212 43 K C 2.289 178.730 176.600 -0.264 0.000 1.050 43 K CA 2.311 58.347 56.287 -0.419 0.000 0.927 43 K CB -0.186 32.096 32.500 -0.364 0.000 0.714 43 K HN 0.272 nan 8.250 nan 0.000 0.447 44 R N 0.573 120.986 120.500 -0.145 0.000 2.148 44 R HA -0.061 4.279 4.340 0.001 0.000 0.227 44 R C 2.062 178.338 176.300 -0.040 0.000 1.103 44 R CA 1.649 57.710 56.100 -0.065 0.000 0.983 44 R CB -0.487 29.786 30.300 -0.045 0.000 0.874 44 R HN 0.280 nan 8.270 nan 0.000 0.451 45 I N 0.885 121.420 120.570 -0.059 0.000 2.315 45 I HA -0.220 3.951 4.170 0.001 0.000 0.248 45 I C 2.129 178.209 176.117 -0.061 0.000 1.117 45 I CA 1.086 62.368 61.300 -0.029 0.000 1.404 45 I CB -0.209 37.783 38.000 -0.013 0.000 1.071 45 I HN 0.202 nan 8.210 nan 0.000 0.419 46 L N 0.140 121.260 121.223 -0.172 0.000 2.023 46 L HA -0.196 4.144 4.340 0.001 0.000 0.205 46 L C 2.237 179.188 176.870 0.134 0.000 1.073 46 L CA 1.243 55.937 54.840 -0.243 0.000 0.745 46 L CB -0.740 41.024 42.059 -0.492 0.000 0.900 46 L HN 0.233 nan 8.230 nan 0.000 0.435 47 D N 0.073 120.549 120.400 0.127 0.000 2.133 47 D HA -0.256 4.385 4.640 0.001 0.000 0.195 47 D C 1.993 178.405 176.300 0.186 0.000 0.997 47 D CA 1.361 55.498 54.000 0.228 0.000 0.840 47 D CB -0.054 40.841 40.800 0.158 0.000 0.947 47 D HN 0.389 nan 8.370 nan 0.000 0.452 48 E N 0.237 120.511 120.200 0.122 0.000 2.153 48 E HA -0.087 4.263 4.350 0.001 0.000 0.194 48 E C 1.056 177.744 176.600 0.147 0.000 0.988 48 E CA 0.721 57.186 56.400 0.109 0.000 0.811 48 E CB 0.209 29.952 29.700 0.071 0.000 0.746 48 E HN 0.010 nan 8.360 nan 0.000 0.466 49 S N -0.816 115.011 115.700 0.211 0.000 2.634 49 S HA 0.227 4.697 4.470 0.001 0.000 0.221 49 S C 0.732 175.540 174.600 0.347 0.000 0.952 49 S CA 0.405 58.774 58.200 0.281 0.000 0.930 49 S CB 1.023 64.425 63.200 0.338 0.000 0.780 49 S HN 0.492 nan 8.310 nan 0.000 0.498 50 G N 1.285 110.267 108.800 0.303 0.000 2.171 50 G HA2 -0.237 3.724 3.960 0.001 0.000 0.238 50 G HA3 -0.237 3.724 3.960 0.001 0.000 0.238 50 G C -0.233 174.784 174.900 0.195 0.000 1.039 50 G CA -0.504 44.721 45.100 0.208 0.000 0.759 50 G HN 0.384 nan 8.290 nan 0.000 0.501 51 F N -0.434 119.623 119.950 0.178 0.000 2.399 51 F HA 0.726 5.254 4.527 0.001 0.000 0.328 51 F C 0.796 176.705 175.800 0.183 0.000 1.084 51 F CA -0.571 57.558 58.000 0.215 0.000 1.053 51 F CB 1.955 41.185 39.000 0.384 0.000 1.209 51 F HN 0.432 nan 8.300 nan 0.000 0.502 52 V N 0.110 120.117 119.914 0.156 0.000 2.962 52 V HA 0.690 4.810 4.120 0.001 0.000 0.313 52 V C -2.992 172.866 176.094 -0.393 0.000 1.099 52 V CA -3.206 59.080 62.300 -0.023 0.000 0.971 52 V CB 1.940 33.817 31.823 0.091 0.000 1.028 52 V HN 0.456 nan 8.190 nan 0.000 0.430 53 P HA 0.106 nan 4.420 nan 0.000 0.263 53 P C 0.755 177.959 177.300 -0.159 0.000 1.195 53 P CA 0.044 62.834 63.100 -0.516 0.000 0.762 53 P CB 0.676 32.263 31.700 -0.189 0.000 0.799 54 L N 4.701 125.864 121.223 -0.099 0.000 2.089 54 L HA -0.248 4.093 4.340 0.001 0.000 0.213 54 L C 1.936 178.851 176.870 0.075 0.000 1.079 54 L CA 2.132 56.985 54.840 0.022 0.000 0.758 54 L CB -0.927 41.162 42.059 0.050 0.000 0.891 54 L HN 0.294 nan 8.230 nan 0.000 0.433 55 E N -0.362 119.872 120.200 0.057 0.000 2.106 55 E HA -0.173 4.177 4.350 0.001 0.000 0.192 55 E C 1.589 178.223 176.600 0.058 0.000 0.984 55 E CA 1.418 57.855 56.400 0.062 0.000 0.806 55 E CB -0.128 29.608 29.700 0.061 0.000 0.750 55 E HN 0.579 nan 8.360 nan 0.000 0.458 56 D N -0.811 119.619 120.400 0.049 0.000 2.340 56 D HA -0.040 4.601 4.640 0.001 0.000 0.220 56 D C -0.188 176.138 176.300 0.043 0.000 1.039 56 D CA -0.023 53.997 54.000 0.034 0.000 0.866 56 D CB -0.184 40.628 40.800 0.021 0.000 0.913 56 D HN 0.112 nan 8.370 nan 0.000 0.523 57 F N 2.012 121.936 119.950 -0.044 0.000 2.538 57 F HA 0.333 4.861 4.527 0.001 0.000 0.371 57 F C -0.061 175.720 175.800 -0.032 0.000 1.087 57 F CA -0.695 57.280 58.000 -0.042 0.000 1.250 57 F CB 0.574 39.544 39.000 -0.049 0.000 1.110 57 F HN -0.151 nan 8.300 nan 0.000 0.570 58 A N 4.101 126.276 122.820 -1.075 0.000 2.408 58 A HA 0.656 4.976 4.320 0.001 0.000 0.295 58 A C -0.072 176.880 177.584 -1.052 0.000 1.040 58 A CA -0.039 51.524 52.037 -0.790 0.000 0.707 58 A CB 1.020 19.801 19.000 -0.364 0.000 1.235 58 A HN 1.765 nan 8.150 nan 0.000 0.418 59 G N 1.995 110.368 108.800 -0.712 0.000 2.467 59 G HA2 0.474 4.435 3.960 0.001 0.000 0.226 59 G HA3 0.474 4.435 3.960 0.001 0.000 0.226 59 G C -0.463 174.420 174.900 -0.029 0.000 1.162 59 G CA 0.434 45.305 45.100 -0.381 0.000 0.838 59 G HN 2.396 nan 8.290 nan 0.000 0.498 60 D N -0.859 119.583 120.400 0.071 0.000 5.896 60 D HA -0.071 4.570 4.640 0.001 0.000 0.234 60 D C -1.874 174.584 176.300 0.264 0.000 1.700 60 D CA 0.642 54.735 54.000 0.155 0.000 1.455 60 D CB -0.264 40.592 40.800 0.094 0.000 0.624 60 D HN 0.434 nan 8.370 nan 0.000 0.340 66 V N 1.329 121.244 119.914 0.003 0.000 3.167 66 V HA 1.067 5.188 4.120 0.001 0.000 0.310 66 V C -1.316 175.052 176.094 0.458 0.000 1.207 66 V CA -1.526 60.855 62.300 0.134 0.000 1.059 66 V CB 1.621 33.395 31.823 -0.082 0.000 1.079 66 V HN 1.366 nan 8.190 nan 0.000 0.446 67 Y N -0.862 119.647 120.300 0.348 0.000 2.571 67 Y HA 0.971 5.522 4.550 0.001 0.000 0.341 67 Y C -0.613 175.451 175.900 0.273 0.000 1.076 67 Y CA -1.236 57.048 58.100 0.306 0.000 1.029 67 Y CB 1.473 40.060 38.460 0.212 0.000 1.308 67 Y HN 1.195 nan 8.280 nan 0.000 0.461 68 A N 2.320 125.476 122.820 0.560 0.000 2.332 68 A HA 0.695 5.016 4.320 0.001 0.000 0.300 68 A C -1.668 176.237 177.584 0.534 0.000 1.153 68 A CA -0.794 51.541 52.037 0.498 0.000 0.764 68 A CB 0.791 20.069 19.000 0.463 0.000 1.174 68 A HN 0.683 nan 8.150 nan 0.000 0.467 69 V N 3.956 124.108 119.914 0.396 0.000 2.432 69 V HA 0.110 4.231 4.120 0.001 0.000 0.275 69 V C 1.393 177.510 176.094 0.039 0.000 1.043 69 V CA -0.462 61.954 62.300 0.193 0.000 0.925 69 V CB 1.084 32.990 31.823 0.140 0.000 0.985 69 V HN 1.044 nan 8.190 nan 0.000 0.466 70 N N 4.688 123.217 118.700 -0.285 0.000 2.038 70 N HA 0.006 4.747 4.740 0.001 0.000 0.192 70 N C 0.984 176.364 175.510 -0.216 0.000 1.080 70 N CA 1.539 54.245 53.050 -0.574 0.000 0.867 70 N CB 0.184 38.101 38.487 -0.949 0.000 1.055 70 N HN 0.624 nan 8.380 nan 0.000 0.430 71 R N -1.318 119.077 120.500 -0.176 0.000 2.661 71 R HA 0.255 4.596 4.340 0.001 0.000 0.429 71 R C 0.334 176.601 176.300 -0.054 0.000 1.044 71 R CA 0.385 56.436 56.100 -0.083 0.000 1.065 71 R CB 0.635 30.889 30.300 -0.077 0.000 1.377 71 R HN 0.581 nan 8.270 nan 0.000 0.600 72 G N 1.174 109.941 108.800 -0.055 0.000 2.225 72 G HA2 -0.306 3.655 3.960 0.001 0.000 0.254 72 G HA3 -0.306 3.655 3.960 0.001 0.000 0.254 72 G C 1.051 175.921 174.900 -0.051 0.000 0.988 72 G CA 0.255 45.332 45.100 -0.038 0.000 0.625 72 G HN 0.206 nan 8.290 nan 0.000 0.527 73 K N 0.074 120.434 120.400 -0.065 0.000 2.335 73 K HA 0.631 4.951 4.320 0.001 0.000 0.195 73 K C 1.096 177.672 176.600 -0.039 0.000 1.058 73 K CA 1.129 57.388 56.287 -0.046 0.000 0.988 73 K CB 0.667 33.144 32.500 -0.038 0.000 0.880 73 K HN 1.010 nan 8.250 nan 0.000 0.513 74 A N 1.068 123.825 122.820 -0.105 0.000 2.479 74 A HA 0.808 5.129 4.320 0.001 0.000 0.296 74 A C -1.325 176.203 177.584 -0.093 0.000 1.121 74 A CA -0.667 51.310 52.037 -0.101 0.000 0.743 74 A CB 1.684 20.568 19.000 -0.192 0.000 1.323 74 A HN 0.167 nan 8.150 nan 0.000 0.415 75 I N -0.228 120.377 120.570 0.058 0.000 2.743 75 I HA 0.620 4.791 4.170 0.001 0.000 0.292 75 I C -0.891 175.396 176.117 0.283 0.000 1.343 75 I CA -0.483 60.926 61.300 0.181 0.000 1.038 75 I CB 1.888 39.917 38.000 0.047 0.000 1.311 75 I HN 0.962 nan 8.210 nan 0.000 0.426 76 A N 5.917 128.922 122.820 0.307 0.000 2.330 76 A HA 0.928 5.248 4.320 0.001 0.000 0.313 76 A C -0.975 176.590 177.584 -0.031 0.000 1.124 76 A CA -0.314 51.721 52.037 -0.003 0.000 0.774 76 A CB 1.438 20.391 19.000 -0.078 0.000 1.198 76 A HN 0.918 nan 8.150 nan 0.000 0.465 77 A N 2.259 124.937 122.820 -0.236 0.000 2.330 77 A HA 0.850 5.170 4.320 0.001 0.000 0.313 77 A C -1.094 176.383 177.584 -0.178 0.000 1.124 77 A CA -0.338 51.697 52.037 -0.002 0.000 0.774 77 A CB 0.331 19.359 19.000 0.047 0.000 1.198 77 A HN 0.709 nan 8.150 nan 0.000 0.465 78 F N 0.399 120.496 119.950 0.245 0.000 2.577 78 F HA 0.654 5.182 4.527 0.001 0.000 0.318 78 F C 0.641 176.517 175.800 0.127 0.000 1.065 78 F CA -0.654 57.431 58.000 0.142 0.000 0.929 78 F CB 2.341 41.370 39.000 0.048 0.000 1.237 78 F HN 0.498 nan 8.300 nan 0.000 0.468 79 R N 1.491 122.146 120.500 0.259 0.000 2.477 79 R HA 0.466 4.807 4.340 0.001 0.000 0.285 79 R C -1.531 174.789 176.300 0.034 0.000 1.415 79 R CA -0.491 55.658 56.100 0.081 0.000 1.446 79 R CB 1.250 31.594 30.300 0.073 0.000 1.110 79 R HN 0.432 nan 8.270 nan 0.000 0.590 80 V N 3.094 122.991 119.914 -0.030 0.000 2.446 80 V HA 0.009 4.130 4.120 0.001 0.000 0.276 80 V C 0.988 177.042 176.094 -0.067 0.000 1.030 80 V CA 0.179 62.438 62.300 -0.067 0.000 1.033 80 V CB 1.305 33.040 31.823 -0.147 0.000 0.993 80 V HN 0.504 nan 8.190 nan 0.000 0.477 81 V N 2.906 122.796 119.914 -0.040 0.000 3.556 81 V HA 0.264 4.384 4.120 0.001 0.000 0.287 81 V C 0.263 176.340 176.094 -0.028 0.000 1.422 81 V CA 0.669 62.950 62.300 -0.032 0.000 1.038 81 V CB 0.641 32.453 31.823 -0.018 0.000 0.850 81 V HN 1.020 nan 8.190 nan 0.000 0.437 82 D N -1.371 119.009 120.400 -0.032 0.000 2.946 82 D HA 0.181 4.822 4.640 0.001 0.000 0.337 82 D C -1.476 174.801 176.300 -0.038 0.000 1.332 82 D CA -0.395 53.587 54.000 -0.029 0.000 0.935 82 D CB 1.638 42.425 40.800 -0.022 0.000 1.440 82 D HN 0.018 nan 8.370 nan 0.000 0.540 83 D N 0.574 120.953 120.400 -0.035 0.000 2.350 83 D HA 0.110 4.751 4.640 0.001 0.000 0.249 83 D C 1.358 177.627 176.300 -0.050 0.000 1.119 83 D CA 0.030 54.005 54.000 -0.042 0.000 0.886 83 D CB 0.718 41.498 40.800 -0.033 0.000 1.195 83 D HN 0.316 nan 8.370 nan 0.000 0.437 84 L N 3.084 124.267 121.223 -0.067 0.000 2.362 84 L HA -0.095 4.246 4.340 0.001 0.000 0.219 84 L C 1.982 178.812 176.870 -0.066 0.000 1.134 84 L CA 0.783 55.578 54.840 -0.074 0.000 0.807 84 L CB -0.234 41.761 42.059 -0.106 0.000 0.927 84 L HN 0.477 nan 8.230 nan 0.000 0.447 85 K N -0.226 120.136 120.400 -0.064 0.000 2.442 85 K HA -0.141 4.180 4.320 0.001 0.000 0.198 85 K C 1.840 178.407 176.600 -0.056 0.000 1.042 85 K CA 0.409 56.655 56.287 -0.068 0.000 0.958 85 K CB 0.038 32.499 32.500 -0.064 0.000 0.766 85 K HN 0.032 nan 8.250 nan 0.000 0.474 86 R N 0.388 120.861 120.500 -0.044 0.000 2.275 86 R HA 0.039 4.380 4.340 0.001 0.000 0.199 86 R C 0.337 176.620 176.300 -0.029 0.000 0.989 86 R CA 0.682 56.762 56.100 -0.033 0.000 1.016 86 R CB -0.107 30.177 30.300 -0.026 0.000 0.918 86 R HN 0.334 nan 8.270 nan 0.000 0.473 87 G N -0.329 108.452 108.800 -0.032 0.000 2.760 87 G HA2 -0.185 3.776 3.960 0.001 0.000 0.246 87 G HA3 -0.185 3.776 3.960 0.001 0.000 0.246 87 G C -0.781 174.118 174.900 -0.001 0.000 1.359 87 G CA -0.221 44.867 45.100 -0.019 0.000 0.861 87 G HN 0.388 nan 8.290 nan 0.000 0.541 88 L N -3.403 117.833 121.223 0.022 0.000 2.600 88 L HA 0.818 5.159 4.340 0.001 0.000 0.257 88 L C -0.898 175.995 176.870 0.038 0.000 1.048 88 L CA -1.522 53.341 54.840 0.038 0.000 0.869 88 L CB 1.956 44.060 42.059 0.075 0.000 1.482 88 L HN 0.493 nan 8.230 nan 0.000 0.408 89 N N 1.846 120.562 118.700 0.027 0.000 2.457 89 N HA 0.680 5.421 4.740 0.001 0.000 0.250 89 N C -1.180 174.315 175.510 -0.026 0.000 0.982 89 N CA -0.138 52.912 53.050 0.000 0.000 0.941 89 N CB 1.757 40.234 38.487 -0.017 0.000 1.120 89 N HN 0.519 nan 8.380 nan 0.000 0.505 90 L N 1.096 122.285 121.223 -0.056 0.000 2.333 90 L HA 0.673 5.013 4.340 0.001 0.000 0.269 90 L C -0.317 176.399 176.870 -0.256 0.000 1.010 90 L CA -1.151 53.609 54.840 -0.134 0.000 0.818 90 L CB 2.051 44.053 42.059 -0.095 0.000 1.306 90 L HN 0.015 nan 8.230 nan 0.000 0.430 91 V N 2.462 122.162 119.914 -0.356 0.000 2.447 91 V HA 0.348 4.468 4.120 0.001 0.000 0.292 91 V C -0.225 175.571 176.094 -0.497 0.000 1.021 91 V CA -0.712 61.299 62.300 -0.482 0.000 0.850 91 V CB 1.982 33.443 31.823 -0.602 0.000 1.005 91 V HN 0.504 nan 8.190 nan 0.000 0.426 92 V N 2.358 121.992 119.914 -0.467 0.000 2.532 92 V HA 1.074 5.195 4.120 0.001 0.000 0.295 92 V C 0.083 176.052 176.094 -0.208 0.000 1.041 92 V CA -0.214 61.867 62.300 -0.366 0.000 0.926 92 V CB 1.348 32.861 31.823 -0.516 0.000 0.992 92 V HN 1.183 nan 8.190 nan 0.000 0.457 93 A N 3.019 125.803 122.820 -0.060 0.000 2.568 93 A HA 0.936 5.256 4.320 0.001 0.000 0.291 93 A C -1.025 176.728 177.584 0.282 0.000 1.159 93 A CA -0.393 51.684 52.037 0.066 0.000 0.679 93 A CB 1.662 20.662 19.000 0.001 0.000 1.285 93 A HN 1.860 nan 8.150 nan 0.000 0.428 94 H N -1.813 117.406 119.070 0.249 0.000 2.622 94 H HA 0.715 5.272 4.556 0.001 0.000 0.363 94 H C -0.217 175.270 175.328 0.265 0.000 1.151 94 H CA -0.500 55.724 56.048 0.294 0.000 1.184 94 H CB 0.980 30.900 29.762 0.264 0.000 1.643 94 H HN 0.669 nan 8.280 nan 0.000 0.531 95 I N -0.936 119.835 120.570 0.335 0.000 3.927 95 I HA 0.268 4.438 4.170 0.001 0.000 0.332 95 I C -0.789 175.466 176.117 0.230 0.000 1.485 95 I CA -0.538 60.893 61.300 0.219 0.000 1.131 95 I CB 0.020 38.119 38.000 0.165 0.000 1.092 95 I HN 0.450 nan 8.210 nan 0.000 0.410 96 D N 0.965 121.591 120.400 0.377 0.000 2.185 96 D HA 0.517 5.157 4.640 0.001 0.000 0.247 96 D C -0.622 175.915 176.300 0.394 0.000 1.027 96 D CA -0.414 53.778 54.000 0.320 0.000 0.861 96 D CB 2.101 43.097 40.800 0.327 0.000 1.202 96 D HN 0.036 nan 8.370 nan 0.000 0.453 97 S N 1.120 117.006 115.700 0.309 0.000 2.599 97 S HA 0.602 5.073 4.470 0.001 0.000 0.287 97 S C -2.712 172.100 174.600 0.353 0.000 1.105 97 S CA -1.253 57.102 58.200 0.259 0.000 0.899 97 S CB 1.869 65.090 63.200 0.036 0.000 1.100 97 S HN 0.364 nan 8.310 nan 0.000 0.482 98 P HA 0.179 nan 4.420 nan 0.000 0.264 98 P C -0.278 177.284 177.300 0.438 0.000 1.183 98 P CA 0.225 63.475 63.100 0.251 0.000 0.763 98 P CB 0.352 32.045 31.700 -0.011 0.000 0.807 99 R N 2.064 122.738 120.500 0.289 0.000 3.132 99 R HA 0.547 4.887 4.340 0.001 0.000 0.257 99 R C -0.112 176.036 176.300 -0.254 0.000 1.203 99 R CA -0.838 55.313 56.100 0.085 0.000 1.008 99 R CB 0.406 30.803 30.300 0.162 0.000 1.378 99 R HN 0.113 nan 8.270 nan 0.000 0.448 100 L N -0.872 120.216 121.223 -0.224 0.000 2.433 100 L HA 0.281 4.621 4.340 0.001 0.000 0.200 100 L C -0.686 176.186 176.870 0.002 0.000 1.059 100 L CA 0.060 54.797 54.840 -0.172 0.000 0.835 100 L CB -0.025 41.931 42.059 -0.170 0.000 1.076 100 L HN 0.663 nan 8.230 nan 0.000 0.481 101 D N -0.066 120.327 120.400 -0.012 0.000 7.547 101 D HA -0.142 4.499 4.640 0.001 0.000 0.255 101 D C -0.654 175.740 176.300 0.157 0.000 2.090 101 D CA 0.404 54.409 54.000 0.008 0.000 1.914 101 D CB -0.287 40.519 40.800 0.008 0.000 0.809 101 D HN -0.216 nan 8.370 nan 0.000 0.513 102 F N 1.617 121.491 119.950 -0.128 0.000 2.485 102 F HA 0.251 4.779 4.527 0.001 0.000 0.327 102 F C 1.810 177.556 175.800 -0.090 0.000 1.203 102 F CA 0.086 57.991 58.000 -0.158 0.000 1.295 102 F CB 0.438 39.284 39.000 -0.257 0.000 1.191 102 F HN 0.090 nan 8.300 nan 0.000 0.588 103 K N 2.094 122.528 120.400 0.056 0.000 2.109 103 K HA 0.221 4.541 4.320 0.001 0.000 0.243 103 K C -1.651 174.967 176.600 0.030 0.000 1.006 103 K CA -1.394 54.913 56.287 0.033 0.000 0.917 103 K CB 0.582 33.082 32.500 -0.001 0.000 1.081 103 K HN 0.164 nan 8.250 nan 0.000 0.468 104 P HA -0.143 nan 4.420 nan 0.000 0.216 104 P C -0.356 176.982 177.300 0.063 0.000 1.153 104 P CA 1.408 64.544 63.100 0.059 0.000 0.858 104 P CB 0.249 31.973 31.700 0.040 0.000 0.789 105 N N -1.040 117.666 118.700 0.009 0.000 2.800 105 N HA 0.138 4.878 4.740 0.001 0.000 0.240 105 N C -1.847 173.595 175.510 -0.114 0.000 1.096 105 N CA -1.361 51.677 53.050 -0.020 0.000 0.877 105 N CB 1.142 39.630 38.487 0.002 0.000 1.138 105 N HN 0.206 nan 8.380 nan 0.000 0.509 106 P HA -0.010 nan 4.420 nan 0.000 0.217 106 P C 0.567 177.711 177.300 -0.260 0.000 1.153 106 P CA 0.272 63.141 63.100 -0.385 0.000 0.843 106 P CB 1.255 32.458 31.700 -0.828 0.000 0.794 107 L N 1.894 122.968 121.223 -0.249 0.000 2.418 107 L HA 0.236 4.577 4.340 0.001 0.000 0.274 107 L C 0.531 177.329 176.870 -0.120 0.000 1.135 107 L CA -0.111 54.639 54.840 -0.150 0.000 0.870 107 L CB -0.078 41.931 42.059 -0.082 0.000 1.154 107 L HN 0.004 nan 8.230 nan 0.000 0.462 108 I N 1.054 121.539 120.570 -0.141 0.000 3.195 108 I HA 0.576 4.746 4.170 0.001 0.000 0.313 108 I C -1.300 174.752 176.117 -0.107 0.000 1.237 108 I CA -0.879 60.363 61.300 -0.097 0.000 0.963 108 I CB 2.416 40.368 38.000 -0.079 0.000 1.278 108 I HN 0.486 nan 8.210 nan 0.000 0.460 109 E N 1.539 121.695 120.200 -0.072 0.000 2.256 109 E HA 0.424 4.774 4.350 0.001 0.000 0.268 109 E C -2.015 174.557 176.600 -0.047 0.000 0.877 109 E CA -0.527 55.834 56.400 -0.066 0.000 0.757 109 E CB 1.808 31.477 29.700 -0.052 0.000 1.183 109 E HN 0.702 nan 8.360 nan 0.000 0.418 110 D N 3.645 124.019 120.400 -0.044 0.000 2.602 110 D HA 0.147 4.788 4.640 0.001 0.000 0.245 110 D C -1.029 175.257 176.300 -0.024 0.000 1.325 110 D CA -0.123 53.859 54.000 -0.030 0.000 0.952 110 D CB 0.665 41.449 40.800 -0.027 0.000 1.317 110 D HN 0.496 nan 8.370 nan 0.000 0.577 111 E N 3.009 123.198 120.200 -0.019 0.000 2.442 111 E HA -0.214 4.137 4.350 0.001 0.000 0.256 111 E C -0.256 176.334 176.600 -0.017 0.000 1.095 111 E CA 0.516 56.907 56.400 -0.015 0.000 0.747 111 E CB -1.166 28.528 29.700 -0.010 0.000 1.310 111 E HN 0.681 nan 8.360 nan 0.000 0.396 112 Q N -2.308 117.479 119.800 -0.021 0.000 2.494 112 Q HA -0.174 4.167 4.340 0.001 0.000 0.272 112 Q C -0.208 175.775 176.000 -0.029 0.000 1.145 112 Q CA 1.434 57.223 55.803 -0.023 0.000 0.943 112 Q CB -1.324 27.404 28.738 -0.017 0.000 1.338 112 Q HN 0.640 nan 8.270 nan 0.000 0.492 113 I N -0.113 120.434 120.570 -0.038 0.000 2.468 113 I HA 0.573 4.743 4.170 0.001 0.000 0.284 113 I C 0.128 176.198 176.117 -0.079 0.000 1.038 113 I CA -1.020 60.251 61.300 -0.049 0.000 1.083 113 I CB 1.658 39.637 38.000 -0.036 0.000 1.223 113 I HN 0.191 nan 8.210 nan 0.000 0.443 114 A N 8.011 130.766 122.820 -0.108 0.000 2.488 114 A HA 0.636 4.956 4.320 0.001 0.000 0.249 114 A C -0.548 176.890 177.584 -0.243 0.000 1.083 114 A CA 0.355 52.284 52.037 -0.181 0.000 0.768 114 A CB 0.173 19.045 19.000 -0.212 0.000 1.017 114 A HN 0.693 nan 8.150 nan 0.000 0.496 115 L N 1.487 122.545 121.223 -0.275 0.000 2.388 115 L HA 0.527 4.867 4.340 0.001 0.000 0.264 115 L C -0.902 175.765 176.870 -0.339 0.000 0.998 115 L CA -0.317 54.369 54.840 -0.258 0.000 0.817 115 L CB 2.225 44.211 42.059 -0.123 0.000 1.338 115 L HN 0.714 nan 8.230 nan 0.000 0.414 116 F N 1.730 121.514 119.950 -0.275 0.000 2.361 116 F HA 0.377 4.905 4.527 0.000 0.000 0.364 116 F C 0.332 175.869 175.800 -0.439 0.000 1.117 116 F CA -0.904 56.760 58.000 -0.561 0.000 1.071 116 F CB 1.323 39.817 39.000 -0.844 0.000 1.188 116 F HN 0.289 nan 8.300 nan 0.000 0.464 117 K N 2.426 122.715 120.400 -0.185 0.000 2.270 117 K HA 0.334 4.654 4.320 0.001 0.000 0.276 117 K C 0.248 176.778 176.600 -0.118 0.000 1.023 117 K CA -0.247 55.969 56.287 -0.118 0.000 0.955 117 K CB 1.200 33.647 32.500 -0.089 0.000 0.975 117 K HN 0.609 nan 8.250 nan 0.000 0.471 118 T N -1.450 113.091 114.554 -0.021 0.000 2.888 118 T HA 0.271 4.622 4.350 0.001 0.000 0.288 118 T C -0.962 173.783 174.700 0.074 0.000 1.063 118 T CA -0.840 61.293 62.100 0.054 0.000 1.010 118 T CB 1.615 70.535 68.868 0.087 0.000 1.214 118 T HN 0.601 nan 8.240 nan 0.000 0.533 119 H N 1.519 120.590 119.070 0.002 0.000 3.078 119 H HA 0.285 4.842 4.556 0.001 0.000 0.319 119 H C -0.963 174.328 175.328 -0.063 0.000 0.995 119 H CA -1.105 54.914 56.048 -0.049 0.000 1.417 119 H CB 0.234 29.952 29.762 -0.074 0.000 1.598 119 H HN 0.801 nan 8.280 nan 0.000 0.515 120 Y N 3.626 123.950 120.300 0.041 0.000 2.757 120 Y HA 0.181 4.731 4.550 0.001 0.000 0.344 120 Y C -1.230 174.766 175.900 0.160 0.000 1.263 120 Y CA -0.411 57.681 58.100 -0.012 0.000 1.493 120 Y CB 0.160 38.518 38.460 -0.169 0.000 1.342 120 Y HN 0.525 nan 8.280 nan 0.000 0.627 121 Y N 3.005 123.359 120.300 0.091 0.000 2.338 121 Y HA 0.576 5.126 4.550 0.001 0.000 0.333 121 Y C 0.202 176.157 175.900 0.092 0.000 0.968 121 Y CA -0.326 57.796 58.100 0.036 0.000 1.123 121 Y CB 1.129 39.586 38.460 -0.005 0.000 1.165 121 Y HN 1.296 nan 8.280 nan 0.000 0.452 122 G N 2.898 111.417 108.800 -0.469 0.000 2.796 122 G HA2 -0.097 3.864 3.960 0.001 0.000 0.571 122 G HA3 -0.097 3.864 3.960 0.001 0.000 0.571 122 G C 0.253 175.150 174.900 -0.004 0.000 1.370 122 G CA -0.487 44.414 45.100 -0.331 0.000 0.856 122 G HN 1.531 nan 8.290 nan 0.000 0.538 123 G N -0.218 108.603 108.800 0.034 0.000 3.003 123 G HA2 0.448 4.409 3.960 0.001 0.000 0.266 123 G HA3 0.448 4.409 3.960 0.001 0.000 0.266 123 G C 0.740 175.749 174.900 0.182 0.000 0.755 123 G CA 0.515 45.722 45.100 0.178 0.000 2.061 123 G HN 0.974 nan 8.290 nan 0.000 0.599 124 I N -0.461 120.127 120.570 0.030 0.000 3.211 124 I HA 0.347 4.517 4.170 0.001 0.000 0.297 124 I C 0.015 176.087 176.117 -0.074 0.000 1.095 124 I CA -0.584 60.715 61.300 -0.001 0.000 1.239 124 I CB 0.942 38.810 38.000 -0.220 0.000 1.455 124 I HN 0.042 nan 8.210 nan 0.000 0.630 125 K N 3.760 124.125 120.400 -0.058 0.000 2.527 125 K HA 0.186 4.507 4.320 0.001 0.000 0.240 125 K C 0.329 176.671 176.600 -0.430 0.000 0.989 125 K CA -0.547 55.516 56.287 -0.373 0.000 0.985 125 K CB 1.610 33.651 32.500 -0.766 0.000 1.221 125 K HN 0.442 nan 8.250 nan 0.000 0.458 126 K N 0.692 120.878 120.400 -0.356 0.000 2.066 126 K HA -0.278 4.043 4.320 0.001 0.000 0.221 126 K C 1.655 178.099 176.600 -0.259 0.000 1.056 126 K CA 2.440 58.574 56.287 -0.255 0.000 0.950 126 K CB -0.511 31.898 32.500 -0.151 0.000 0.726 126 K HN 0.620 nan 8.250 nan 0.000 0.456 127 Y N -1.660 118.286 120.300 -0.589 0.000 2.569 127 Y HA -0.131 4.420 4.550 0.002 0.000 0.293 127 Y C 1.659 177.444 175.900 -0.191 0.000 1.144 127 Y CA 1.029 58.692 58.100 -0.729 0.000 1.321 127 Y CB -0.659 37.135 38.460 -1.111 0.000 0.982 127 Y HN 0.185 nan 8.280 nan 0.000 0.558 128 H N -1.045 117.856 119.070 -0.281 0.000 2.428 128 H HA -0.057 4.500 4.556 0.002 0.000 0.296 128 H C 0.289 175.518 175.328 -0.165 0.000 1.062 128 H CA 0.793 56.735 56.048 -0.177 0.000 1.350 128 H CB -0.467 29.159 29.762 -0.226 0.000 1.403 128 H HN 0.573 nan 8.280 nan 0.000 0.533 129 W N 0.975 122.278 121.300 0.005 0.000 3.400 129 W HA 0.291 4.951 4.660 -0.000 0.000 0.347 129 W C -0.126 176.403 176.519 0.016 0.000 1.218 129 W CA -0.125 57.220 57.345 0.001 0.000 1.837 129 W CB -0.315 29.137 29.460 -0.013 0.000 1.067 129 W HN -0.113 nan 8.180 nan 0.000 0.701 130 L N 0.721 122.048 121.223 0.173 0.000 2.307 130 L HA 0.329 4.669 4.340 0.001 0.000 0.284 130 L C 0.991 177.933 176.870 0.121 0.000 1.023 130 L CA -0.789 54.141 54.840 0.150 0.000 0.810 130 L CB 1.414 43.560 42.059 0.144 0.000 1.231 130 L HN -0.137 nan 8.230 nan 0.000 0.423 131 S N 3.120 118.889 115.700 0.114 0.000 3.711 131 S HA -0.150 4.320 4.470 0.001 0.000 0.374 131 S C -0.396 174.255 174.600 0.084 0.000 0.969 131 S CA 0.897 59.154 58.200 0.095 0.000 1.198 131 S CB -1.457 61.800 63.200 0.095 0.000 0.903 131 S HN 0.638 nan 8.310 nan 0.000 0.493 132 I N -2.469 118.139 120.570 0.065 0.000 2.802 132 I HA 0.717 4.888 4.170 0.001 0.000 0.298 132 I C -2.849 173.266 176.117 -0.002 0.000 1.176 132 I CA -2.814 58.514 61.300 0.047 0.000 1.025 132 I CB 2.615 40.597 38.000 -0.030 0.000 1.243 132 I HN -0.167 nan 8.210 nan 0.000 0.424 133 P HA 0.212 nan 4.420 nan 0.000 0.275 133 P C -1.127 176.111 177.300 -0.104 0.000 1.276 133 P CA -0.025 63.067 63.100 -0.014 0.000 0.782 133 P CB 0.828 32.548 31.700 0.034 0.000 0.851 134 L N 3.369 124.592 121.223 -0.000 0.000 2.358 134 L HA 0.548 4.889 4.340 0.001 0.000 0.268 134 L C 1.060 178.002 176.870 0.120 0.000 1.032 134 L CA -0.601 54.247 54.840 0.012 0.000 0.805 134 L CB 1.006 43.139 42.059 0.123 0.000 1.253 134 L HN 0.515 nan 8.230 nan 0.000 0.452 135 E N 1.103 121.336 120.200 0.054 0.000 2.343 135 E HA 0.687 5.037 4.350 0.001 0.000 0.270 135 E C -1.120 175.390 176.600 -0.149 0.000 0.895 135 E CA -0.819 55.607 56.400 0.043 0.000 0.767 135 E CB 2.880 32.558 29.700 -0.037 0.000 1.248 135 E HN 0.526 nan 8.360 nan 0.000 0.440 136 I N -0.671 119.718 120.570 -0.301 0.000 2.530 136 I HA 0.604 4.775 4.170 0.001 0.000 0.297 136 I C -0.984 174.742 176.117 -0.651 0.000 1.011 136 I CA -0.793 60.219 61.300 -0.480 0.000 1.107 136 I CB 1.783 39.412 38.000 -0.619 0.000 1.285 136 I HN 0.513 nan 8.210 nan 0.000 0.436 137 H N 3.487 122.406 119.070 -0.253 0.000 2.895 137 H HA 0.874 5.431 4.556 0.001 0.000 0.373 137 H C -0.011 175.097 175.328 -0.366 0.000 1.174 137 H CA -0.234 55.661 56.048 -0.256 0.000 1.144 137 H CB 2.229 31.980 29.762 -0.019 0.000 1.793 137 H HN 1.120 nan 8.280 nan 0.000 0.551 138 G N -0.245 108.366 108.800 -0.315 0.000 2.356 138 G HA2 0.303 4.264 3.960 0.001 0.000 0.266 138 G HA3 0.303 4.264 3.960 0.001 0.000 0.266 138 G C -1.850 172.843 174.900 -0.345 0.000 1.312 138 G CA 0.102 45.027 45.100 -0.292 0.000 0.922 138 G HN 0.636 nan 8.290 nan 0.000 0.480 139 V N -0.256 119.481 119.914 -0.296 0.000 3.048 139 V HA 0.829 4.950 4.120 0.001 0.000 0.303 139 V C -1.436 174.444 176.094 -0.356 0.000 1.214 139 V CA -0.773 61.311 62.300 -0.359 0.000 0.984 139 V CB 1.829 33.448 31.823 -0.340 0.000 1.054 139 V HN 0.976 nan 8.190 nan 0.000 0.430 140 L N 4.929 125.858 121.223 -0.490 0.000 2.388 140 L HA 0.673 5.014 4.340 0.001 0.000 0.264 140 L C -1.477 175.068 176.870 -0.541 0.000 0.998 140 L CA -0.456 54.154 54.840 -0.383 0.000 0.817 140 L CB 2.276 44.098 42.059 -0.395 0.000 1.338 140 L HN 0.546 nan 8.230 nan 0.000 0.414 141 F N 0.929 120.809 119.950 -0.117 0.000 2.458 141 F HA 0.473 5.001 4.527 0.001 0.000 0.336 141 F C 0.461 176.215 175.800 -0.076 0.000 1.114 141 F CA -0.743 57.208 58.000 -0.082 0.000 0.987 141 F CB 1.628 40.593 39.000 -0.058 0.000 1.130 141 F HN 0.273 nan 8.300 nan 0.000 0.458 142 K N 0.948 121.390 120.400 0.069 0.000 2.120 142 K HA 0.074 4.394 4.320 0.001 0.000 0.245 142 K C 0.876 177.516 176.600 0.067 0.000 1.024 142 K CA -0.399 55.908 56.287 0.034 0.000 0.906 142 K CB 0.575 33.082 32.500 0.011 0.000 1.051 142 K HN 0.532 nan 8.250 nan 0.000 0.491 143 N N 1.841 120.565 118.700 0.039 0.000 2.149 143 N HA -0.207 4.534 4.740 0.001 0.000 0.188 143 N C 1.091 176.622 175.510 0.036 0.000 1.019 143 N CA 2.062 55.133 53.050 0.035 0.000 0.857 143 N CB -0.151 38.350 38.487 0.023 0.000 0.997 143 N HN 0.620 nan 8.380 nan 0.000 0.426 144 D N -1.618 118.803 120.400 0.035 0.000 2.310 144 D HA 0.021 4.661 4.640 0.001 0.000 0.212 144 D C 1.286 177.615 176.300 0.048 0.000 0.965 144 D CA 1.190 55.210 54.000 0.033 0.000 0.879 144 D CB -0.673 40.144 40.800 0.028 0.000 0.921 144 D HN 0.366 nan 8.370 nan 0.000 0.510 145 G N -1.246 107.601 108.800 0.079 0.000 2.168 145 G HA2 -0.212 3.748 3.960 0.001 0.000 0.197 145 G HA3 -0.212 3.748 3.960 0.001 0.000 0.197 145 G C 0.197 175.210 174.900 0.189 0.000 0.997 145 G CA 0.074 45.250 45.100 0.127 0.000 0.658 145 G HN 0.429 nan 8.290 nan 0.000 0.513 146 T N 1.226 115.850 114.554 0.117 0.000 2.834 146 T HA 0.395 4.746 4.350 0.001 0.000 0.298 146 T C 0.346 175.041 174.700 -0.009 0.000 0.966 146 T CA 0.347 62.484 62.100 0.062 0.000 1.141 146 T CB 1.495 70.373 68.868 0.016 0.000 0.905 146 T HN 0.437 nan 8.240 nan 0.000 0.535 147 E N 4.042 124.197 120.200 -0.075 0.000 2.223 147 E HA 0.184 4.534 4.350 0.001 0.000 0.282 147 E C -0.615 175.777 176.600 -0.346 0.000 1.046 147 E CA -0.564 55.580 56.400 -0.426 0.000 0.857 147 E CB 0.327 29.870 29.700 -0.261 0.000 1.055 147 E HN 0.356 nan 8.360 nan 0.000 0.409 148 I N 4.726 125.019 120.570 -0.461 0.000 2.362 148 I HA 0.217 4.387 4.170 0.001 0.000 0.289 148 I C 0.200 176.103 176.117 -0.357 0.000 0.994 148 I CA -0.509 60.608 61.300 -0.304 0.000 1.158 148 I CB 1.326 39.162 38.000 -0.274 0.000 1.315 148 I HN 0.614 nan 8.210 nan 0.000 0.451 149 E N 6.450 126.510 120.200 -0.233 0.000 2.249 149 E HA 0.553 4.904 4.350 0.001 0.000 0.280 149 E C -0.711 175.692 176.600 -0.329 0.000 1.016 149 E CA -0.555 55.693 56.400 -0.253 0.000 0.830 149 E CB 2.526 32.185 29.700 -0.068 0.000 1.081 149 E HN 0.426 nan 8.360 nan 0.000 0.395 150 I N 2.742 122.982 120.570 -0.550 0.000 2.465 150 I HA 0.257 4.428 4.170 0.001 0.000 0.291 150 I C -0.604 175.092 176.117 -0.701 0.000 1.014 150 I CA -0.632 60.340 61.300 -0.547 0.000 1.093 150 I CB 1.290 38.944 38.000 -0.577 0.000 1.267 150 I HN 0.378 nan 8.210 nan 0.000 0.431 151 H N 7.470 126.546 119.070 0.010 0.000 3.093 151 H HA 0.441 4.997 4.556 0.001 0.000 0.311 151 H C -1.199 174.158 175.328 0.048 0.000 1.294 151 H CA -0.279 55.812 56.048 0.072 0.000 1.628 151 H CB 1.324 31.195 29.762 0.181 0.000 1.874 151 H HN 0.385 nan 8.280 nan 0.000 0.574 152 I N 0.807 121.407 120.570 0.049 0.000 2.410 152 I HA 0.450 4.621 4.170 0.001 0.000 0.286 152 I C 0.926 177.119 176.117 0.127 0.000 1.009 152 I CA -0.314 61.082 61.300 0.159 0.000 1.111 152 I CB 1.971 40.168 38.000 0.328 0.000 1.262 152 I HN 0.780 nan 8.210 nan 0.000 0.443 153 G N 4.352 113.207 108.800 0.093 0.000 2.421 153 G HA2 -0.226 3.734 3.960 0.001 0.000 0.188 153 G HA3 -0.226 3.734 3.960 0.001 0.000 0.188 153 G C 0.499 175.438 174.900 0.064 0.000 1.001 153 G CA 0.174 45.312 45.100 0.063 0.000 0.693 153 G HN 0.649 nan 8.290 nan 0.000 0.479 154 D N 0.748 121.211 120.400 0.104 0.000 2.323 154 D HA 0.136 4.776 4.640 0.001 0.000 0.209 154 D C 0.844 177.185 176.300 0.068 0.000 0.973 154 D CA 0.529 54.601 54.000 0.120 0.000 0.874 154 D CB 0.087 41.009 40.800 0.204 0.000 0.930 154 D HN 0.424 nan 8.370 nan 0.000 0.521 155 K N 1.413 121.849 120.400 0.061 0.000 2.159 155 K HA 0.233 4.554 4.320 0.001 0.000 0.266 155 K C -1.743 174.872 176.600 0.025 0.000 0.975 155 K CA -1.980 54.329 56.287 0.037 0.000 0.865 155 K CB 2.295 34.820 32.500 0.040 0.000 1.087 155 K HN -0.181 nan 8.250 nan 0.000 0.446 156 P HA -0.233 nan 4.420 nan 0.000 0.219 156 P C 0.461 177.762 177.300 0.002 0.000 1.146 156 P CA 1.430 64.534 63.100 0.007 0.000 0.808 156 P CB 0.338 32.040 31.700 0.004 0.000 0.779 157 E N -0.499 119.704 120.200 0.005 0.000 2.479 157 E HA 0.045 4.396 4.350 0.001 0.000 0.193 157 E C -0.308 176.293 176.600 0.002 0.000 1.049 157 E CA 0.132 56.533 56.400 0.001 0.000 0.870 157 E CB -0.426 29.275 29.700 0.002 0.000 0.944 157 E HN 0.169 nan 8.360 nan 0.000 0.492 158 D N 3.053 123.457 120.400 0.007 0.000 2.193 158 D HA 0.342 4.982 4.640 0.001 0.000 0.249 158 D C -2.095 174.185 176.300 -0.033 0.000 1.034 158 D CA -1.778 52.227 54.000 0.008 0.000 0.902 158 D CB 1.433 42.258 40.800 0.041 0.000 1.182 158 D HN 0.043 nan 8.370 nan 0.000 0.436 159 P HA 0.261 nan 4.420 nan 0.000 0.281 159 P C -0.592 176.546 177.300 -0.268 0.000 1.264 159 P CA -0.569 62.425 63.100 -0.177 0.000 0.824 159 P CB 1.201 32.761 31.700 -0.232 0.000 1.092 160 V N -2.194 117.543 119.914 -0.295 0.000 3.177 160 V HA 0.675 4.796 4.120 0.001 0.000 0.319 160 V C -0.376 175.430 176.094 -0.481 0.000 1.125 160 V CA -0.765 61.391 62.300 -0.240 0.000 1.029 160 V CB 0.871 32.660 31.823 -0.056 0.000 1.119 160 V HN 0.312 nan 8.190 nan 0.000 0.452 161 F N -1.101 118.877 119.950 0.047 0.000 2.613 161 F HA 0.888 5.415 4.527 0.001 0.000 0.342 161 F C 0.456 176.294 175.800 0.065 0.000 1.066 161 F CA -0.509 57.539 58.000 0.080 0.000 1.002 161 F CB 2.290 41.376 39.000 0.143 0.000 1.319 161 F HN 0.684 nan 8.300 nan 0.000 0.495 162 T N 1.075 115.793 114.554 0.274 0.000 2.886 162 T HA 0.493 4.844 4.350 0.001 0.000 0.330 162 T C -1.254 173.547 174.700 0.167 0.000 1.488 162 T CA -0.566 61.639 62.100 0.175 0.000 1.054 162 T CB 1.500 70.431 68.868 0.104 0.000 1.348 162 T HN 0.370 nan 8.240 nan 0.000 0.489 163 I N 4.208 124.870 120.570 0.153 0.000 2.503 163 I HA 0.278 4.448 4.170 0.001 0.000 0.277 163 I C -2.180 174.012 176.117 0.126 0.000 1.078 163 I CA -2.134 59.251 61.300 0.142 0.000 1.184 163 I CB 1.369 39.468 38.000 0.165 0.000 1.353 163 I HN 0.261 nan 8.210 nan 0.000 0.490 164 P HA 0.011 nan 4.420 nan 0.000 0.267 164 P C -0.487 176.878 177.300 0.108 0.000 1.205 164 P CA 0.106 63.264 63.100 0.096 0.000 0.765 164 P CB 1.277 33.022 31.700 0.075 0.000 0.828 165 D N 1.931 122.402 120.400 0.118 0.000 2.398 165 D HA 0.170 4.810 4.640 0.001 0.000 0.247 165 D C -0.382 175.986 176.300 0.115 0.000 1.227 165 D CA -0.360 53.724 54.000 0.141 0.000 0.980 165 D CB 0.480 41.375 40.800 0.158 0.000 1.106 165 D HN 0.130 nan 8.370 nan 0.000 0.493 166 L N 2.070 123.362 121.223 0.115 0.000 2.326 166 L HA 0.246 4.586 4.340 0.001 0.000 0.278 166 L C -0.700 176.223 176.870 0.089 0.000 1.092 166 L CA -0.784 54.109 54.840 0.088 0.000 0.810 166 L CB 0.543 42.644 42.059 0.069 0.000 1.153 166 L HN 0.227 nan 8.230 nan 0.000 0.439 167 L N 5.175 126.458 121.223 0.100 0.000 2.514 167 L HA 0.303 4.643 4.340 0.001 0.000 0.280 167 L C -1.642 175.272 176.870 0.073 0.000 1.223 167 L CA -1.136 53.784 54.840 0.133 0.000 0.864 167 L CB -1.195 41.014 42.059 0.251 0.000 1.118 167 L HN 0.546 nan 8.230 nan 0.000 0.494 168 P HA -0.160 nan 4.420 nan 0.000 0.225 168 P C 1.063 178.259 177.300 -0.174 0.000 1.148 168 P CA 1.498 64.519 63.100 -0.133 0.000 0.779 168 P CB -0.148 31.433 31.700 -0.199 0.000 0.780 169 H N -0.695 118.384 119.070 0.015 0.000 2.462 169 H HA 0.069 4.626 4.556 0.001 0.000 0.292 169 H C 1.160 176.492 175.328 0.007 0.000 1.049 169 H CA 0.862 56.916 56.048 0.010 0.000 1.334 169 H CB 0.033 29.802 29.762 0.010 0.000 1.404 169 H HN 0.183 nan 8.280 nan 0.000 0.544 170 L N 0.413 121.708 121.223 0.121 0.000 2.906 170 L HA 0.102 4.443 4.340 0.001 0.000 0.255 170 L C 0.684 177.572 176.870 0.031 0.000 1.166 170 L CA 0.174 55.054 54.840 0.067 0.000 0.977 170 L CB 0.650 42.747 42.059 0.063 0.000 1.313 170 L HN -0.032 nan 8.230 nan 0.000 0.549 171 D N 1.009 121.419 120.400 0.017 0.000 3.057 171 D HA 0.023 4.663 4.640 0.001 0.000 0.246 171 D C 0.299 176.586 176.300 -0.021 0.000 1.238 171 D CA -0.127 53.868 54.000 -0.008 0.000 0.949 171 D CB 0.340 41.133 40.800 -0.012 0.000 1.086 171 D HN -0.120 nan 8.370 nan 0.000 0.487 172 K N 1.722 122.114 120.400 -0.013 0.000 2.480 172 K HA 0.100 4.421 4.320 0.001 0.000 0.241 172 K C -0.861 175.723 176.600 -0.026 0.000 1.261 172 K CA -0.102 56.175 56.287 -0.016 0.000 1.193 172 K CB -0.026 32.471 32.500 -0.005 0.000 1.598 172 K HN 0.025 nan 8.250 nan 0.000 0.278 173 E N 1.866 122.041 120.200 -0.040 0.000 3.397 173 E HA 0.022 4.372 4.350 0.001 0.000 0.380 173 E C -2.231 174.326 176.600 -0.073 0.000 0.989 173 E CA -0.511 55.859 56.400 -0.050 0.000 0.783 173 E CB 0.168 29.838 29.700 -0.050 0.000 1.334 173 E HN 0.363 nan 8.360 nan 0.000 0.457 174 D N 3.446 123.806 120.400 -0.066 0.000 2.441 174 D HA 0.657 5.297 4.640 0.001 0.000 0.231 174 D C -0.357 175.898 176.300 -0.076 0.000 1.073 174 D CA -0.482 53.470 54.000 -0.081 0.000 0.850 174 D CB 1.264 42.028 40.800 -0.061 0.000 1.062 174 D HN 0.386 nan 8.370 nan 0.000 0.524 175 A N 2.926 125.685 122.820 -0.102 0.000 2.298 175 A HA 0.590 4.910 4.320 0.001 0.000 0.302 175 A C 0.146 177.687 177.584 -0.071 0.000 1.177 175 A CA -0.779 51.210 52.037 -0.079 0.000 0.912 175 A CB 0.517 19.464 19.000 -0.088 0.000 1.331 175 A HN 0.431 nan 8.150 nan 0.000 0.504 176 K N -0.251 120.123 120.400 -0.043 0.000 2.355 176 K HA 0.153 4.474 4.320 0.001 0.000 0.270 176 K C 0.890 177.482 176.600 -0.012 0.000 1.003 176 K CA -0.025 56.250 56.287 -0.020 0.000 0.957 176 K CB 0.173 32.671 32.500 -0.004 0.000 0.939 176 K HN 0.531 nan 8.250 nan 0.000 0.482 177 I N 1.521 122.106 120.570 0.025 0.000 2.381 177 I HA -0.331 3.840 4.170 0.001 0.000 0.255 177 I C 1.919 178.122 176.117 0.144 0.000 1.140 177 I CA 1.464 62.831 61.300 0.111 0.000 1.404 177 I CB -0.463 37.607 38.000 0.118 0.000 1.075 177 I HN 0.765 nan 8.210 nan 0.000 0.433 178 S N -0.167 115.579 115.700 0.076 0.000 2.363 178 S HA -0.197 4.273 4.470 0.001 0.000 0.218 178 S C 1.351 175.985 174.600 0.057 0.000 1.035 178 S CA 1.072 59.314 58.200 0.069 0.000 1.043 178 S CB -0.390 62.834 63.200 0.041 0.000 0.986 178 S HN 0.643 nan 8.310 nan 0.000 0.423 179 E N 0.860 121.066 120.200 0.011 0.000 2.421 179 E HA 0.191 4.541 4.350 0.001 0.000 0.253 179 E C -0.473 176.077 176.600 -0.083 0.000 1.277 179 E CA -0.248 56.140 56.400 -0.020 0.000 0.968 179 E CB 0.342 30.020 29.700 -0.037 0.000 1.040 179 E HN 0.392 nan 8.360 nan 0.000 0.512 180 K N 0.981 121.296 120.400 -0.143 0.000 7.188 180 K HA -0.234 4.086 4.320 0.001 0.000 0.734 180 K C -1.499 174.905 176.600 -0.327 0.000 2.514 180 K CA 0.934 57.003 56.287 -0.363 0.000 1.818 180 K CB -1.300 30.848 32.500 -0.587 0.000 2.025 180 K HN 0.669 nan 8.250 nan 0.000 0.292 181 F N 0.528 120.497 119.950 0.032 0.000 2.214 181 F HA -0.186 4.342 4.527 0.003 0.000 0.500 181 F C -0.005 175.807 175.800 0.020 0.000 1.258 181 F CA 0.481 58.507 58.000 0.042 0.000 1.604 181 F CB -0.572 38.471 39.000 0.071 0.000 2.535 181 F HN 0.508 nan 8.300 nan 0.000 0.735 182 K N 1.128 121.630 120.400 0.169 0.000 2.164 182 K HA 0.509 4.829 4.320 0.001 0.000 0.258 182 K C 1.136 177.793 176.600 0.095 0.000 0.951 182 K CA -0.191 56.157 56.287 0.102 0.000 0.844 182 K CB 1.672 34.208 32.500 0.060 0.000 1.099 182 K HN 0.465 nan 8.250 nan 0.000 0.435 183 G N 1.880 110.739 108.800 0.098 0.000 2.475 183 G HA2 -0.256 3.704 3.960 0.001 0.000 0.220 183 G HA3 -0.256 3.704 3.960 0.001 0.000 0.220 183 G C 1.041 175.970 174.900 0.049 0.000 1.125 183 G CA 0.739 45.915 45.100 0.127 0.000 0.755 183 G HN 0.586 nan 8.290 nan 0.000 0.565 184 E N 0.939 121.152 120.200 0.022 0.000 2.150 184 E HA -0.065 4.286 4.350 0.001 0.000 0.193 184 E C 1.786 178.399 176.600 0.021 0.000 0.985 184 E CA 0.482 56.883 56.400 0.002 0.000 0.814 184 E CB -0.179 29.521 29.700 -0.001 0.000 0.752 184 E HN 0.351 nan 8.360 nan 0.000 0.466 185 N N 0.486 119.213 118.700 0.045 0.000 2.449 185 N HA 0.036 4.777 4.740 0.001 0.000 0.191 185 N C 0.721 176.274 175.510 0.071 0.000 1.161 185 N CA 0.185 53.268 53.050 0.056 0.000 0.863 185 N CB 0.348 38.879 38.487 0.073 0.000 0.980 185 N HN 0.153 nan 8.380 nan 0.000 0.458 189 I N 1.839 122.487 120.570 0.131 0.000 2.556 189 I HA 0.152 4.322 4.170 0.001 0.000 0.284 189 I C 1.063 177.226 176.117 0.078 0.000 1.114 189 I CA 0.500 61.830 61.300 0.050 0.000 1.418 189 I CB 1.717 39.746 38.000 0.049 0.000 1.394 189 I HN 0.903 nan 8.210 nan 0.000 0.552 190 A N 4.560 127.314 122.820 -0.109 0.000 2.259 190 A HA 0.441 4.762 4.320 0.001 0.000 0.213 190 A C 1.288 178.819 177.584 -0.089 0.000 1.209 190 A CA 0.708 52.648 52.037 -0.162 0.000 0.910 190 A CB 0.330 18.792 19.000 -0.897 0.000 0.946 190 A HN 0.837 nan 8.150 nan 0.000 0.497 191 G N -1.354 107.390 108.800 -0.094 0.000 2.579 191 G HA2 0.341 4.301 3.960 0.001 0.000 0.160 191 G HA3 0.341 4.301 3.960 0.001 0.000 0.160 191 G C 0.950 175.828 174.900 -0.037 0.000 1.386 191 G CA 1.481 46.547 45.100 -0.056 0.000 0.713 191 G HN 1.249 nan 8.290 nan 0.000 0.688 192 T N -0.911 113.619 114.554 -0.041 0.000 10.665 192 T HA -0.272 4.079 4.350 0.001 0.000 0.384 192 T C 0.605 175.292 174.700 -0.021 0.000 1.689 192 T CA 1.397 63.481 62.100 -0.028 0.000 2.678 192 T CB -1.922 66.934 68.868 -0.021 0.000 2.663 192 T HN 0.629 nan 8.240 nan 0.000 0.987 193 I N 4.715 125.275 120.570 -0.018 0.000 2.322 193 I HA 0.357 4.528 4.170 0.001 0.000 0.292 193 I C -1.884 174.226 176.117 -0.010 0.000 1.060 193 I CA -2.465 58.827 61.300 -0.012 0.000 1.309 193 I CB 1.280 39.275 38.000 -0.008 0.000 1.415 193 I HN 0.223 nan 8.210 nan 0.000 0.492 194 P HA 0.035 nan 4.420 nan 0.000 0.275 194 P C -0.781 176.517 177.300 -0.003 0.000 1.227 194 P CA -0.418 62.677 63.100 -0.008 0.000 0.781 194 P CB 1.478 33.173 31.700 -0.008 0.000 0.906 195 L N 3.165 124.388 121.223 -0.001 0.000 2.295 195 L HA 0.139 4.479 4.340 0.001 0.000 0.288 195 L C 0.425 177.296 176.870 0.002 0.000 1.079 195 L CA 0.065 54.906 54.840 0.003 0.000 0.830 195 L CB 0.380 42.443 42.059 0.007 0.000 1.200 195 L HN 0.432 nan 8.230 nan 0.000 0.438 196 S N 3.999 119.700 115.700 0.002 0.000 2.626 196 S HA 0.309 4.780 4.470 0.001 0.000 0.303 196 S C 1.229 175.831 174.600 0.002 0.000 1.256 196 S CA 1.025 59.226 58.200 0.001 0.000 1.069 196 S CB 0.009 63.209 63.200 0.001 0.000 0.807 196 S HN 1.201 nan 8.310 nan 0.000 0.500 197 G N 4.092 112.893 108.800 0.002 0.000 2.284 197 G HA2 -0.162 3.798 3.960 0.001 0.000 0.216 197 G HA3 -0.162 3.798 3.960 0.001 0.000 0.216 197 G C -0.147 174.754 174.900 0.003 0.000 1.009 197 G CA -0.109 44.992 45.100 0.003 0.000 0.625 197 G HN 0.655 nan 8.290 nan 0.000 0.501 198 E N 1.192 121.394 120.200 0.003 0.000 2.290 198 E HA 0.354 4.704 4.350 0.001 0.000 0.277 198 E C 1.318 177.919 176.600 0.001 0.000 1.035 198 E CA 0.427 56.829 56.400 0.003 0.000 0.873 198 E CB 1.214 30.916 29.700 0.004 0.000 1.029 198 E HN 0.830 nan 8.360 nan 0.000 0.419 199 E N 1.927 122.128 120.200 0.002 0.000 2.452 199 E HA 0.060 4.411 4.350 0.001 0.000 0.197 199 E C -0.068 176.532 176.600 -0.000 0.000 1.022 199 E CA 0.150 56.550 56.400 0.001 0.000 0.890 199 E CB 0.397 30.098 29.700 0.001 0.000 0.918 199 E HN -0.094 nan 8.360 nan 0.000 0.496 200 K N 1.660 122.060 120.400 0.001 0.000 2.483 200 K HA 0.169 4.489 4.320 0.001 0.000 0.256 200 K C -1.255 175.345 176.600 -0.002 0.000 0.961 200 K CA -0.422 55.865 56.287 -0.000 0.000 0.873 200 K CB 1.104 33.605 32.500 0.002 0.000 1.107 200 K HN 0.114 nan 8.250 nan 0.000 0.432 201 E N 2.121 122.317 120.200 -0.006 0.000 2.240 201 E HA -0.300 4.050 4.350 0.001 0.000 0.194 201 E C 0.294 176.889 176.600 -0.008 0.000 1.385 201 E CA 0.443 56.837 56.400 -0.010 0.000 0.686 201 E CB -1.028 28.666 29.700 -0.011 0.000 1.125 201 E HN 0.714 nan 8.360 nan 0.000 0.359 202 A N 0.494 123.310 122.820 -0.007 0.000 1.933 202 A HA -0.140 4.180 4.320 0.001 0.000 0.218 202 A C 2.115 179.695 177.584 -0.008 0.000 1.175 202 A CA 1.641 53.675 52.037 -0.005 0.000 0.628 202 A CB 0.051 19.049 19.000 -0.005 0.000 0.814 202 A HN 0.290 nan 8.150 nan 0.000 0.444 203 V N 0.195 120.099 119.914 -0.016 0.000 2.379 203 V HA -0.224 3.897 4.120 0.001 0.000 0.245 203 V C 2.508 178.583 176.094 -0.030 0.000 1.044 203 V CA 2.248 64.534 62.300 -0.024 0.000 1.036 203 V CB -0.618 31.186 31.823 -0.033 0.000 0.664 203 V HN 0.703 nan 8.190 nan 0.000 0.453 204 K N 0.081 120.461 120.400 -0.034 0.000 2.002 204 K HA -0.190 4.130 4.320 0.001 0.000 0.209 204 K C 2.220 178.818 176.600 -0.004 0.000 1.048 204 K CA 2.045 58.309 56.287 -0.038 0.000 0.930 204 K CB -0.408 32.069 32.500 -0.037 0.000 0.714 204 K HN 0.457 nan 8.250 nan 0.000 0.438 205 T N 1.157 115.714 114.554 0.006 0.000 2.653 205 T HA -0.215 4.135 4.350 0.001 0.000 0.268 205 T C 1.643 176.359 174.700 0.028 0.000 1.035 205 T CA 1.962 64.075 62.100 0.021 0.000 1.154 205 T CB -0.601 68.276 68.868 0.016 0.000 0.862 205 T HN 0.428 nan 8.240 nan 0.000 0.441 206 N N 0.536 119.246 118.700 0.018 0.000 2.104 206 N HA -0.106 4.635 4.740 0.001 0.000 0.190 206 N C 1.674 177.207 175.510 0.038 0.000 1.024 206 N CA 1.068 54.131 53.050 0.022 0.000 0.853 206 N CB -0.471 38.022 38.487 0.010 0.000 1.008 206 N HN 0.185 nan 8.380 nan 0.000 0.424 207 V N 0.513 120.447 119.914 0.033 0.000 2.427 207 V HA -0.154 3.966 4.120 0.001 0.000 0.248 207 V C 2.248 178.414 176.094 0.121 0.000 1.051 207 V CA 1.219 63.556 62.300 0.062 0.000 1.048 207 V CB -0.442 31.382 31.823 0.002 0.000 0.666 207 V HN 0.372 nan 8.190 nan 0.000 0.456 208 L N -0.173 121.116 121.223 0.110 0.000 2.093 208 L HA -0.204 4.137 4.340 0.001 0.000 0.208 208 L C 2.559 179.496 176.870 0.112 0.000 1.085 208 L CA 1.880 56.804 54.840 0.141 0.000 0.755 208 L CB -0.549 41.580 42.059 0.116 0.000 0.904 208 L HN 0.334 nan 8.230 nan 0.000 0.435 209 K N 0.940 121.388 120.400 0.079 0.000 2.057 209 K HA -0.189 4.131 4.320 0.001 0.000 0.207 209 K C 2.030 178.670 176.600 0.066 0.000 1.049 209 K CA 1.479 57.802 56.287 0.061 0.000 0.931 209 K CB -0.086 32.439 32.500 0.042 0.000 0.714 209 K HN 0.234 nan 8.250 nan 0.000 0.440 210 I N 1.001 121.619 120.570 0.081 0.000 2.252 210 I HA -0.264 3.906 4.170 0.001 0.000 0.245 210 I C 2.229 178.417 176.117 0.119 0.000 1.102 210 I CA 0.942 62.293 61.300 0.085 0.000 1.385 210 I CB -0.190 37.869 38.000 0.098 0.000 1.064 210 I HN 0.176 nan 8.210 nan 0.000 0.414 211 L N 0.645 121.977 121.223 0.181 0.000 2.083 211 L HA -0.227 4.114 4.340 0.001 0.000 0.209 211 L C 2.490 179.472 176.870 0.186 0.000 1.083 211 L CA 1.292 56.285 54.840 0.255 0.000 0.752 211 L CB -0.679 41.550 42.059 0.284 0.000 0.899 211 L HN 0.425 nan 8.230 nan 0.000 0.433 212 N N 0.182 118.951 118.700 0.116 0.000 2.171 212 N HA -0.113 4.628 4.740 0.001 0.000 0.184 212 N C 0.677 176.213 175.510 0.043 0.000 1.021 212 N CA 0.588 53.683 53.050 0.074 0.000 0.854 212 N CB 0.265 38.787 38.487 0.058 0.000 0.994 212 N HN 0.410 nan 8.380 nan 0.000 0.426 216 G N 2.144 110.993 108.800 0.082 0.000 2.168 216 G HA2 -0.337 3.624 3.960 0.001 0.000 0.257 216 G HA3 -0.337 3.624 3.960 0.001 0.000 0.257 216 G C 0.329 175.249 174.900 0.033 0.000 0.997 216 G CA 0.617 45.743 45.100 0.043 0.000 0.708 216 G HN 0.629 nan 8.290 nan 0.000 0.520 217 I N -2.079 118.516 120.570 0.042 0.000 2.797 217 I HA 0.885 5.055 4.170 0.001 0.000 0.310 217 I C 0.227 176.334 176.117 -0.016 0.000 0.990 217 I CA -0.312 60.969 61.300 -0.032 0.000 1.228 217 I CB 2.084 39.999 38.000 -0.141 0.000 1.406 217 I HN 0.120 nan 8.210 nan 0.000 0.534 218 T N 1.003 115.532 114.554 -0.040 0.000 2.916 218 T HA 0.206 4.557 4.350 0.001 0.000 0.292 218 T C 0.698 175.409 174.700 0.017 0.000 1.064 218 T CA -0.359 61.747 62.100 0.011 0.000 1.011 218 T CB 1.725 70.606 68.868 0.022 0.000 1.152 218 T HN 0.910 nan 8.240 nan 0.000 0.510 219 E N 0.949 121.219 120.200 0.117 0.000 2.097 219 E HA -0.211 4.139 4.350 0.001 0.000 0.196 219 E C 1.535 178.268 176.600 0.223 0.000 1.000 219 E CA 1.723 58.272 56.400 0.248 0.000 0.804 219 E CB -0.049 29.780 29.700 0.216 0.000 0.740 219 E HN 0.757 nan 8.360 nan 0.000 0.454 220 E N -0.161 120.109 120.200 0.116 0.000 2.401 220 E HA -0.182 4.169 4.350 0.001 0.000 0.199 220 E C 0.747 177.388 176.600 0.069 0.000 1.023 220 E CA 0.829 57.286 56.400 0.096 0.000 0.859 220 E CB 0.061 29.797 29.700 0.060 0.000 0.780 220 E HN 0.324 nan 8.360 nan 0.000 0.523 221 D N -0.696 119.701 120.400 -0.005 0.000 2.347 221 D HA -0.075 4.566 4.640 0.001 0.000 0.215 221 D C 1.109 177.342 176.300 -0.112 0.000 0.976 221 D CA 0.408 54.357 54.000 -0.085 0.000 0.884 221 D CB -0.155 40.535 40.800 -0.184 0.000 0.915 221 D HN 0.266 nan 8.370 nan 0.000 0.526 222 F N 0.240 120.207 119.950 0.027 0.000 2.206 222 F HA -0.130 4.398 4.527 0.001 0.000 0.298 222 F C 2.414 178.232 175.800 0.030 0.000 1.090 222 F CA 0.329 58.344 58.000 0.025 0.000 1.323 222 F CB -0.214 38.809 39.000 0.039 0.000 1.028 222 F HN -0.164 nan 8.300 nan 0.000 0.492 223 V N -0.377 119.661 119.914 0.207 0.000 2.287 223 V HA -0.273 3.848 4.120 0.001 0.000 0.248 223 V C 1.560 177.710 176.094 0.093 0.000 1.053 223 V CA 1.964 64.338 62.300 0.124 0.000 1.027 223 V CB -0.943 30.933 31.823 0.088 0.000 0.646 223 V HN 0.412 nan 8.190 nan 0.000 0.447 224 S N 0.013 115.766 115.700 0.089 0.000 3.812 224 S HA 0.593 5.063 4.470 0.001 0.000 0.195 224 S C 0.090 174.799 174.600 0.183 0.000 1.460 224 S CA 0.165 58.424 58.200 0.098 0.000 1.052 224 S CB 0.075 63.327 63.200 0.087 0.000 1.385 224 S HN 0.720 nan 8.310 nan 0.000 0.490 225 G N 0.750 109.634 108.800 0.140 0.000 2.547 225 G HA2 0.521 4.481 3.960 0.001 0.000 0.291 225 G HA3 0.521 4.481 3.960 0.001 0.000 0.291 225 G C -2.059 172.878 174.900 0.062 0.000 1.471 225 G CA -0.897 44.275 45.100 0.120 0.000 0.798 225 G HN 0.353 nan 8.290 nan 0.000 0.504 226 E N 0.014 120.212 120.200 -0.003 0.000 2.246 226 E HA 0.571 4.921 4.350 0.001 0.000 0.266 226 E C -1.010 175.486 176.600 -0.172 0.000 0.880 226 E CA -0.587 55.777 56.400 -0.060 0.000 0.762 226 E CB 2.838 32.505 29.700 -0.057 0.000 1.180 226 E HN 0.359 nan 8.360 nan 0.000 0.416 227 I N 2.479 122.889 120.570 -0.268 0.000 2.533 227 I HA 0.237 4.407 4.170 0.001 0.000 0.290 227 I C -0.395 175.405 176.117 -0.529 0.000 1.056 227 I CA -0.657 60.325 61.300 -0.531 0.000 1.057 227 I CB 1.936 39.346 38.000 -0.984 0.000 1.240 227 I HN 0.398 nan 8.210 nan 0.000 0.423 228 E N 5.530 125.492 120.200 -0.397 0.000 2.191 228 E HA 0.534 4.885 4.350 0.001 0.000 0.274 228 E C -1.214 175.249 176.600 -0.228 0.000 0.948 228 E CA -0.889 55.362 56.400 -0.248 0.000 0.802 228 E CB 3.037 32.663 29.700 -0.124 0.000 1.137 228 E HN 0.194 nan 8.360 nan 0.000 0.397 229 V N 2.981 122.825 119.914 -0.117 0.000 2.370 229 V HA 0.347 4.468 4.120 0.001 0.000 0.283 229 V C 0.175 176.350 176.094 0.136 0.000 1.023 229 V CA -0.597 61.691 62.300 -0.019 0.000 0.857 229 V CB 1.013 32.881 31.823 0.074 0.000 0.985 229 V HN 0.552 nan 8.190 nan 0.000 0.443 230 V N 3.249 123.203 119.914 0.067 0.000 3.141 230 V HA 0.766 4.887 4.120 0.001 0.000 0.312 230 V C -3.004 172.911 176.094 -0.299 0.000 1.157 230 V CA -3.112 59.129 62.300 -0.099 0.000 1.041 230 V CB 2.260 33.948 31.823 -0.226 0.000 1.071 230 V HN 0.595 nan 8.190 nan 0.000 0.441 231 P HA 0.350 nan 4.420 nan 0.000 0.271 231 P C 0.333 177.342 177.300 -0.485 0.000 1.220 231 P CA 0.288 62.910 63.100 -0.796 0.000 0.768 231 P CB 1.232 32.306 31.700 -1.044 0.000 0.848 232 A N 3.845 126.416 122.820 -0.415 0.000 2.235 232 A HA 0.057 4.377 4.320 0.001 0.000 0.208 232 A C 0.637 178.246 177.584 0.040 0.000 1.172 232 A CA 0.022 51.987 52.037 -0.119 0.000 0.786 232 A CB -1.050 17.922 19.000 -0.047 0.000 0.804 232 A HN 0.530 nan 8.150 nan 0.000 0.479 233 F N 1.079 121.014 119.950 -0.024 0.000 2.578 233 F HA 0.125 4.652 4.527 0.000 0.000 0.376 233 F C 0.863 176.716 175.800 0.089 0.000 1.085 233 F CA -0.304 57.699 58.000 0.006 0.000 1.260 233 F CB 0.510 39.525 39.000 0.024 0.000 1.095 233 F HN -0.017 nan 8.300 nan 0.000 0.573 234 S N 3.701 119.565 115.700 0.272 0.000 2.617 234 S HA 0.355 4.825 4.470 0.001 0.000 0.283 234 S C -2.289 172.443 174.600 0.220 0.000 1.189 234 S CA -1.381 56.927 58.200 0.179 0.000 1.036 234 S CB 1.438 64.696 63.200 0.096 0.000 1.014 234 S HN 0.281 nan 8.310 nan 0.000 0.522 235 P HA 0.197 nan 4.420 nan 0.000 0.264 235 P C -0.481 176.885 177.300 0.110 0.000 1.183 235 P CA 0.129 63.281 63.100 0.087 0.000 0.763 235 P CB 0.441 32.104 31.700 -0.061 0.000 0.807 236 R N 1.823 122.414 120.500 0.152 0.000 2.707 236 R HA 0.316 4.656 4.340 0.001 0.000 0.272 236 R C -0.244 176.124 176.300 0.115 0.000 1.011 236 R CA -0.851 55.334 56.100 0.141 0.000 0.893 236 R CB 1.385 31.803 30.300 0.197 0.000 1.233 236 R HN 0.503 nan 8.270 nan 0.000 0.464 237 E N 0.759 121.010 120.200 0.085 0.000 2.390 237 E HA 0.314 4.664 4.350 0.001 0.000 0.261 237 E C -0.437 176.216 176.600 0.087 0.000 1.076 237 E CA -0.336 56.110 56.400 0.077 0.000 0.905 237 E CB 1.137 30.872 29.700 0.058 0.000 0.984 237 E HN 0.078 nan 8.360 nan 0.000 0.427 238 V N 1.357 121.318 119.914 0.078 0.000 2.709 238 V HA 0.677 4.797 4.120 0.001 0.000 0.308 238 V C 0.309 176.429 176.094 0.045 0.000 1.062 238 V CA 0.037 62.385 62.300 0.080 0.000 0.901 238 V CB 1.402 33.285 31.823 0.100 0.000 1.003 238 V HN 0.996 nan 8.190 nan 0.000 0.425 242 R N 0.603 121.053 120.500 -0.084 0.000 3.741 242 R HA -0.205 4.136 4.340 0.001 0.000 0.292 242 R C 1.066 177.356 176.300 -0.016 0.000 1.176 242 R CA 1.170 57.251 56.100 -0.032 0.000 0.794 242 R CB -2.864 27.424 30.300 -0.019 0.000 1.213 242 R HN 0.482 nan 8.270 nan 0.000 0.494 243 S N -0.702 114.953 115.700 -0.075 0.000 2.461 243 S HA 0.083 4.554 4.470 0.001 0.000 0.228 243 S C 0.985 175.726 174.600 0.235 0.000 1.005 243 S CA 0.236 58.439 58.200 0.005 0.000 0.942 243 S CB 0.237 63.304 63.200 -0.221 0.000 0.776 243 S HN 0.358 nan 8.310 nan 0.000 0.514 244 L N 0.545 121.846 121.223 0.131 0.000 2.304 244 L HA 0.657 4.997 4.340 0.001 0.000 0.268 244 L C -0.499 176.432 176.870 0.102 0.000 1.010 244 L CA -1.166 53.751 54.840 0.128 0.000 0.813 244 L CB 1.496 43.606 42.059 0.086 0.000 1.315 244 L HN 0.102 nan 8.230 nan 0.000 0.445 245 I N 0.258 120.876 120.570 0.079 0.000 2.465 245 I HA 0.503 4.674 4.170 0.001 0.000 0.291 245 I C 0.029 176.090 176.117 -0.093 0.000 1.014 245 I CA -0.405 60.924 61.300 0.048 0.000 1.093 245 I CB 2.034 40.117 38.000 0.140 0.000 1.267 245 I HN 0.603 nan 8.210 nan 0.000 0.431 246 G N 4.353 113.011 108.800 -0.237 0.000 2.470 246 G HA2 0.845 4.806 3.960 0.001 0.000 0.320 246 G HA3 0.845 4.806 3.960 0.001 0.000 0.320 246 G C -1.095 173.274 174.900 -0.885 0.000 1.245 246 G CA -0.434 44.129 45.100 -0.895 0.000 0.935 246 G HN 0.877 nan 8.290 nan 0.000 0.476 247 A N 1.458 123.782 122.820 -0.828 0.000 2.569 247 A HA 0.565 4.886 4.320 0.001 0.000 0.292 247 A C -1.662 175.918 177.584 -0.006 0.000 1.032 247 A CA -0.798 51.120 52.037 -0.199 0.000 0.669 247 A CB 0.459 19.398 19.000 -0.102 0.000 1.290 247 A HN 1.474 nan 8.150 nan 0.000 0.422 248 Y N 1.090 121.438 120.300 0.079 0.000 2.301 248 Y HA 0.456 5.006 4.550 0.000 0.000 0.328 248 Y C 1.294 177.238 175.900 0.072 0.000 1.242 248 Y CA 1.017 59.170 58.100 0.089 0.000 1.323 248 Y CB 1.129 39.638 38.460 0.080 0.000 1.266 248 Y HN 2.410 nan 8.280 nan 0.000 0.527 249 G N 3.824 112.036 108.800 -0.979 0.000 2.168 249 G HA2 -0.334 3.626 3.960 0.001 0.000 0.257 249 G HA3 -0.334 3.626 3.960 0.001 0.000 0.257 249 G C 0.774 175.549 174.900 -0.208 0.000 0.997 249 G CA 0.650 45.299 45.100 -0.752 0.000 0.708 249 G HN 0.750 nan 8.290 nan 0.000 0.520 250 Q N -0.336 119.417 119.800 -0.079 0.000 2.437 250 Q HA -0.042 4.299 4.340 0.001 0.000 0.210 250 Q C 0.867 176.910 176.000 0.071 0.000 0.972 250 Q CA 0.494 56.337 55.803 0.067 0.000 0.903 250 Q CB 0.085 28.883 28.738 0.100 0.000 0.967 250 Q HN 0.592 nan 8.270 nan 0.000 0.486 251 D N 1.084 121.517 120.400 0.056 0.000 2.380 251 D HA -0.072 4.568 4.640 0.001 0.000 0.270 251 D C -0.242 176.059 176.300 0.002 0.000 1.363 251 D CA 0.665 54.738 54.000 0.123 0.000 1.057 251 D CB 0.140 41.093 40.800 0.256 0.000 1.096 251 D HN 0.127 nan 8.370 nan 0.000 0.524 252 D N 1.565 121.945 120.400 -0.034 0.000 2.495 252 D HA -0.229 4.412 4.640 0.001 0.000 0.175 252 D C 1.437 177.730 176.300 -0.012 0.000 1.040 252 D CA 1.098 55.011 54.000 -0.145 0.000 1.049 252 D CB -0.599 39.776 40.800 -0.708 0.000 1.105 252 D HN 0.446 nan 8.370 nan 0.000 0.457 253 R N 0.299 120.838 120.500 0.064 0.000 2.189 253 R HA 0.168 4.508 4.340 0.001 0.000 0.218 253 R C 2.468 178.953 176.300 0.308 0.000 1.074 253 R CA 1.082 57.305 56.100 0.205 0.000 0.991 253 R CB -0.109 30.319 30.300 0.214 0.000 0.883 253 R HN 0.449 nan 8.270 nan 0.000 0.457 254 I N -0.409 120.314 120.570 0.256 0.000 2.439 254 I HA -0.307 3.863 4.170 0.001 0.000 0.251 254 I C 1.535 177.710 176.117 0.096 0.000 1.139 254 I CA 1.143 62.544 61.300 0.169 0.000 1.438 254 I CB 0.094 38.126 38.000 0.054 0.000 1.085 254 I HN 0.261 nan 8.210 nan 0.000 0.427 255 C N 0.623 120.000 119.300 0.127 0.000 2.486 255 C HA 0.091 4.551 4.460 0.001 0.000 0.279 255 C C 3.061 178.184 174.990 0.222 0.000 1.302 255 C CA 0.723 59.853 59.018 0.188 0.000 1.720 255 C CB -1.017 26.826 27.740 0.170 0.000 2.030 255 C HN 0.664 nan 8.230 nan 0.000 0.490 256 A N -0.328 122.629 122.820 0.228 0.000 1.865 256 A HA -0.255 4.065 4.320 0.001 0.000 0.217 256 A C 2.006 179.752 177.584 0.271 0.000 1.191 256 A CA 1.995 54.264 52.037 0.387 0.000 0.623 256 A CB -1.088 18.166 19.000 0.424 0.000 0.826 256 A HN 0.638 nan 8.150 nan 0.000 0.444 257 Y N 1.884 122.172 120.300 -0.019 0.000 2.114 257 Y HA -0.251 4.299 4.550 0.001 0.000 0.284 257 Y C 2.995 178.878 175.900 -0.029 0.000 1.143 257 Y CA 2.598 60.541 58.100 -0.262 0.000 1.135 257 Y CB -0.897 37.378 38.460 -0.309 0.000 0.980 257 Y HN 0.487 nan 8.280 nan 0.000 0.499 258 T N -1.394 113.170 114.554 0.017 0.000 2.684 258 T HA -0.222 4.128 4.350 0.001 0.000 0.267 258 T C 2.141 176.936 174.700 0.159 0.000 1.036 258 T CA 1.551 63.710 62.100 0.098 0.000 1.148 258 T CB -1.236 67.665 68.868 0.055 0.000 0.863 258 T HN 0.364 nan 8.240 nan 0.000 0.436 259 A N 1.735 124.694 122.820 0.232 0.000 1.883 259 A HA 0.081 4.402 4.320 0.001 0.000 0.217 259 A C 2.470 180.091 177.584 0.062 0.000 1.186 259 A CA 1.511 53.644 52.037 0.161 0.000 0.624 259 A CB -1.099 17.880 19.000 -0.035 0.000 0.822 259 A HN 0.534 nan 8.150 nan 0.000 0.444 260 L N -1.012 120.255 121.223 0.073 0.000 1.990 260 L HA -0.234 4.106 4.340 0.001 0.000 0.213 260 L C 2.845 179.681 176.870 -0.057 0.000 1.072 260 L CA 1.695 56.554 54.840 0.031 0.000 0.755 260 L CB -0.373 41.623 42.059 -0.105 0.000 0.889 260 L HN 0.352 nan 8.230 nan 0.000 0.432 261 R N -0.191 120.221 120.500 -0.146 0.000 2.081 261 R HA -0.126 4.215 4.340 0.001 0.000 0.235 261 R C 2.176 178.617 176.300 0.235 0.000 1.131 261 R CA 1.431 57.523 56.100 -0.012 0.000 0.960 261 R CB -1.044 29.211 30.300 -0.075 0.000 0.856 261 R HN 0.469 nan 8.270 nan 0.000 0.436 262 A N 1.370 124.332 122.820 0.238 0.000 1.908 262 A HA -0.165 4.156 4.320 0.001 0.000 0.218 262 A C 2.213 179.820 177.584 0.038 0.000 1.181 262 A CA 1.321 53.386 52.037 0.047 0.000 0.627 262 A CB -0.573 18.388 19.000 -0.066 0.000 0.818 262 A HN 0.243 nan 8.150 nan 0.000 0.445 263 L N -0.298 120.952 121.223 0.046 0.000 2.083 263 L HA -0.087 4.253 4.340 0.001 0.000 0.209 263 L C 2.065 179.008 176.870 0.122 0.000 1.083 263 L CA 1.692 56.569 54.840 0.061 0.000 0.752 263 L CB -0.369 41.721 42.059 0.053 0.000 0.899 263 L HN 0.401 nan 8.230 nan 0.000 0.433 264 L N -0.978 120.320 121.223 0.124 0.000 2.395 264 L HA -0.005 4.336 4.340 0.001 0.000 0.218 264 L C 1.922 178.876 176.870 0.140 0.000 1.130 264 L CA 0.965 55.901 54.840 0.160 0.000 0.826 264 L CB -0.484 41.648 42.059 0.122 0.000 0.941 264 L HN 0.500 nan 8.230 nan 0.000 0.451 265 S N -1.528 114.248 115.700 0.127 0.000 2.578 265 S HA 0.337 4.808 4.470 0.001 0.000 0.228 265 S C 0.903 175.536 174.600 0.056 0.000 1.022 265 S CA -0.128 58.138 58.200 0.110 0.000 0.967 265 S CB 0.269 63.571 63.200 0.171 0.000 0.914 265 S HN 0.139 nan 8.310 nan 0.000 0.515 266 A N 2.354 125.193 122.820 0.032 0.000 2.406 266 A HA 0.494 4.815 4.320 0.001 0.000 0.243 266 A C 0.118 177.707 177.584 0.007 0.000 1.082 266 A CA -0.300 51.733 52.037 -0.006 0.000 0.786 266 A CB 0.028 19.017 19.000 -0.018 0.000 1.029 266 A HN 0.456 nan 8.150 nan 0.000 0.495 267 N N 2.221 120.916 118.700 -0.008 0.000 2.851 267 N HA 0.291 5.032 4.740 0.001 0.000 0.248 267 N C -2.812 172.691 175.510 -0.011 0.000 1.221 267 N CA -0.826 52.221 53.050 -0.003 0.000 0.847 267 N CB 1.330 39.814 38.487 -0.005 0.000 1.150 267 N HN 0.512 nan 8.380 nan 0.000 0.507 268 P HA 0.171 nan 4.420 nan 0.000 0.273 268 P C 0.177 177.472 177.300 -0.009 0.000 1.250 268 P CA 0.081 63.176 63.100 -0.008 0.000 0.793 268 P CB 1.915 33.615 31.700 0.001 0.000 1.011 269 E N -0.387 119.807 120.200 -0.010 0.000 2.399 269 E HA 0.062 4.413 4.350 0.001 0.000 0.206 269 E C 0.630 177.224 176.600 -0.009 0.000 0.812 269 E CA 0.608 57.002 56.400 -0.010 0.000 1.138 269 E CB 0.539 30.232 29.700 -0.012 0.000 1.140 269 E HN 0.572 nan 8.360 nan 0.000 0.536 270 K N 0.442 120.838 120.400 -0.007 0.000 2.395 270 K HA 0.533 4.854 4.320 0.001 0.000 0.245 270 K C -0.094 176.507 176.600 0.002 0.000 1.017 270 K CA -0.674 55.609 56.287 -0.006 0.000 0.852 270 K CB 1.730 34.227 32.500 -0.005 0.000 1.311 270 K HN -0.315 nan 8.250 nan 0.000 0.452 271 S N 0.739 116.441 115.700 0.003 0.000 2.558 271 S HA 0.128 4.598 4.470 0.001 0.000 0.287 271 S C 0.474 175.104 174.600 0.050 0.000 1.321 271 S CA -0.178 58.035 58.200 0.022 0.000 1.048 271 S CB -0.434 62.772 63.200 0.011 0.000 0.844 271 S HN 0.552 nan 8.310 nan 0.000 0.512 272 I N -1.722 118.896 120.570 0.080 0.000 3.279 272 I HA 1.039 5.209 4.170 0.001 0.000 0.315 272 I C -0.025 176.170 176.117 0.130 0.000 1.187 272 I CA -1.142 60.205 61.300 0.078 0.000 0.953 272 I CB 2.080 40.098 38.000 0.029 0.000 1.279 272 I HN 0.726 nan 8.210 nan 0.000 0.465 273 G N 0.696 109.515 108.800 0.031 0.000 2.338 273 G HA2 0.501 4.462 3.960 0.001 0.000 0.295 273 G HA3 0.501 4.462 3.960 0.001 0.000 0.295 273 G C -2.139 172.604 174.900 -0.262 0.000 1.461 273 G CA -0.561 44.487 45.100 -0.086 0.000 0.817 273 G HN 0.635 nan 8.290 nan 0.000 0.556 274 V N 0.386 120.060 119.914 -0.401 0.000 2.735 274 V HA 0.718 4.839 4.120 0.001 0.000 0.310 274 V C -0.335 175.319 176.094 -0.732 0.000 1.061 274 V CA -0.692 61.263 62.300 -0.576 0.000 0.913 274 V CB 1.869 33.319 31.823 -0.622 0.000 1.005 274 V HN 0.698 nan 8.190 nan 0.000 0.428 275 I N 3.801 123.897 120.570 -0.791 0.000 2.468 275 I HA 0.453 4.624 4.170 0.001 0.000 0.285 275 I C -1.403 174.286 176.117 -0.715 0.000 1.039 275 I CA -0.204 60.697 61.300 -0.666 0.000 1.074 275 I CB 1.574 39.271 38.000 -0.504 0.000 1.228 275 I HN 0.404 nan 8.210 nan 0.000 0.436 276 F N 5.918 125.696 119.950 -0.287 0.000 2.361 276 F HA 0.514 5.041 4.527 0.001 0.000 0.364 276 F C -0.088 175.617 175.800 -0.160 0.000 1.120 276 F CA -0.562 57.365 58.000 -0.122 0.000 1.102 276 F CB 0.356 39.324 39.000 -0.052 0.000 1.183 276 F HN 0.176 nan 8.300 nan 0.000 0.476 277 F N 1.283 121.396 119.950 0.272 0.000 2.408 277 F HA 0.410 4.938 4.527 0.001 0.000 0.325 277 F C 0.461 176.401 175.800 0.234 0.000 1.082 277 F CA -0.590 57.557 58.000 0.245 0.000 1.032 277 F CB 0.932 40.074 39.000 0.236 0.000 1.259 277 F HN 0.356 nan 8.300 nan 0.000 0.503 278 D N -0.486 120.145 120.400 0.386 0.000 2.506 278 D HA 0.325 4.965 4.640 0.001 0.000 0.254 278 D C -0.127 176.318 176.300 0.242 0.000 1.089 278 D CA -0.577 53.581 54.000 0.263 0.000 1.050 278 D CB 1.390 42.279 40.800 0.148 0.000 1.221 278 D HN 0.332 nan 8.370 nan 0.000 0.589 279 K N -0.675 119.861 120.400 0.225 0.000 3.445 279 K HA -0.275 4.045 4.320 0.001 0.000 0.316 279 K C 1.075 177.754 176.600 0.132 0.000 1.278 279 K CA 1.545 57.959 56.287 0.213 0.000 0.976 279 K CB -1.289 31.292 32.500 0.135 0.000 1.238 279 K HN 0.561 nan 8.250 nan 0.000 0.430 280 E N 1.079 121.340 120.200 0.101 0.000 2.110 280 E HA -0.187 4.164 4.350 0.001 0.000 0.193 280 E C 1.243 177.798 176.600 -0.074 0.000 0.988 280 E CA 1.754 58.145 56.400 -0.015 0.000 0.804 280 E CB -0.078 29.525 29.700 -0.162 0.000 0.745 280 E HN 0.364 nan 8.360 nan 0.000 0.458 281 E N 0.055 120.205 120.200 -0.084 0.000 2.401 281 E HA -0.092 4.258 4.350 0.001 0.000 0.199 281 E C 1.268 177.750 176.600 -0.195 0.000 1.023 281 E CA 1.099 57.422 56.400 -0.130 0.000 0.859 281 E CB -0.042 29.580 29.700 -0.130 0.000 0.780 281 E HN 0.694 nan 8.360 nan 0.000 0.523 282 I N -4.968 115.510 120.570 -0.154 0.000 3.947 282 I HA 0.504 4.675 4.170 0.001 0.000 0.327 282 I C 1.036 177.133 176.117 -0.032 0.000 1.519 282 I CA 0.066 61.282 61.300 -0.141 0.000 1.122 282 I CB 1.056 38.941 38.000 -0.192 0.000 1.146 282 I HN -0.047 nan 8.210 nan 0.000 0.442 283 G N 0.051 108.858 108.800 0.011 0.000 2.229 283 G HA2 -0.213 3.748 3.960 0.001 0.000 0.189 283 G HA3 -0.213 3.748 3.960 0.001 0.000 0.189 283 G C 0.635 175.572 174.900 0.063 0.000 1.000 283 G CA -0.147 44.992 45.100 0.064 0.000 0.663 283 G HN 0.582 nan 8.290 nan 0.000 0.493 284 S N 0.593 116.301 115.700 0.014 0.000 3.695 284 S HA -0.142 4.329 4.470 0.001 0.000 0.310 284 S C 0.185 174.699 174.600 -0.143 0.000 1.166 284 S CA 1.250 59.404 58.200 -0.076 0.000 0.882 284 S CB -1.185 61.893 63.200 -0.202 0.000 0.949 284 S HN 0.860 nan 8.310 nan 0.000 0.540 285 D N 0.643 121.008 120.400 -0.059 0.000 2.432 285 D HA 0.629 5.269 4.640 0.001 0.000 0.258 285 D C 0.930 177.218 176.300 -0.020 0.000 1.146 285 D CA 0.923 54.889 54.000 -0.055 0.000 1.015 285 D CB 1.347 42.131 40.800 -0.027 0.000 1.107 285 D HN 0.684 nan 8.370 nan 0.000 0.529 286 G N 0.442 109.231 108.800 -0.018 0.000 2.712 286 G HA2 -0.217 3.744 3.960 0.001 0.000 0.683 286 G HA3 -0.217 3.744 3.960 0.001 0.000 0.683 286 G C 0.219 175.125 174.900 0.010 0.000 1.320 286 G CA -0.086 45.014 45.100 0.000 0.000 0.847 286 G HN 0.697 nan 8.290 nan 0.000 0.553 287 N N -1.491 117.218 118.700 0.015 0.000 2.370 287 N HA 0.054 4.795 4.740 0.001 0.000 0.198 287 N C 1.306 176.837 175.510 0.035 0.000 1.156 287 N CA 0.929 53.999 53.050 0.034 0.000 0.839 287 N CB 0.154 38.653 38.487 0.020 0.000 0.989 287 N HN 0.941 nan 8.380 nan 0.000 0.468 288 T N -4.745 109.834 114.554 0.042 0.000 3.043 288 T HA 0.314 4.664 4.350 0.001 0.000 0.272 288 T C 0.772 175.593 174.700 0.202 0.000 0.990 288 T CA -0.459 61.662 62.100 0.035 0.000 0.897 288 T CB 0.549 69.405 68.868 -0.019 0.000 1.111 288 T HN 0.160 nan 8.240 nan 0.000 0.529 289 G N 0.927 109.846 108.800 0.199 0.000 2.521 289 G HA2 0.675 4.635 3.960 0.001 0.000 0.323 289 G HA3 0.675 4.635 3.960 0.001 0.000 0.323 289 G C 0.035 175.031 174.900 0.160 0.000 1.211 289 G CA -0.558 44.680 45.100 0.229 0.000 0.979 289 G HN 0.566 nan 8.290 nan 0.000 0.490 290 A N -0.514 122.134 122.820 -0.286 0.000 2.448 290 A HA 0.491 4.812 4.320 0.001 0.000 0.239 290 A C 1.316 178.534 177.584 -0.611 0.000 1.080 290 A CA 1.157 52.690 52.037 -0.840 0.000 0.779 290 A CB -0.062 18.441 19.000 -0.829 0.000 1.026 290 A HN 1.948 nan 8.150 nan 0.000 0.499 291 K N -1.891 118.175 120.400 -0.556 0.000 3.573 291 K HA -0.115 4.206 4.320 0.001 0.000 0.280 291 K C 0.176 176.674 176.600 -0.170 0.000 1.257 291 K CA 1.247 57.258 56.287 -0.459 0.000 0.990 291 K CB -2.453 29.570 32.500 -0.796 0.000 1.297 291 K HN 1.986 nan 8.250 nan 0.000 0.488 292 A N 1.515 124.321 122.820 -0.025 0.000 2.316 292 A HA 0.476 4.797 4.320 0.001 0.000 0.284 292 A C 1.037 178.729 177.584 0.180 0.000 1.115 292 A CA 0.144 52.239 52.037 0.096 0.000 0.812 292 A CB 0.941 20.047 19.000 0.176 0.000 1.064 292 A HN 0.392 nan 8.150 nan 0.000 0.489 293 R N 0.868 121.453 120.500 0.141 0.000 2.185 293 R HA -0.208 4.132 4.340 0.001 0.000 0.247 293 R C 1.524 177.947 176.300 0.206 0.000 1.159 293 R CA 2.037 58.215 56.100 0.131 0.000 0.988 293 R CB -0.474 29.883 30.300 0.095 0.000 0.871 293 R HN 0.881 nan 8.270 nan 0.000 0.458 294 F N 0.790 120.828 119.950 0.145 0.000 2.048 294 F HA -0.401 4.126 4.527 0.001 0.000 0.296 294 F C 1.978 177.936 175.800 0.263 0.000 1.109 294 F CA 2.178 60.291 58.000 0.187 0.000 1.214 294 F CB -1.240 37.884 39.000 0.208 0.000 0.963 294 F HN 0.140 nan 8.300 nan 0.000 0.491 295 Y N 1.000 121.278 120.300 -0.036 0.000 2.014 295 Y HA -0.272 4.278 4.550 0.001 0.000 0.272 295 Y C 2.247 178.113 175.900 -0.057 0.000 1.164 295 Y CA 2.337 60.397 58.100 -0.067 0.000 1.114 295 Y CB -1.111 37.508 38.460 0.265 0.000 0.961 295 Y HN 0.198 nan 8.280 nan 0.000 0.489 296 L N 0.477 121.524 121.223 -0.294 0.000 2.362 296 L HA -0.163 4.178 4.340 0.001 0.000 0.219 296 L C 2.532 179.273 176.870 -0.215 0.000 1.134 296 L CA 1.474 56.083 54.840 -0.385 0.000 0.807 296 L CB -0.536 41.376 42.059 -0.246 0.000 0.927 296 L HN 0.268 nan 8.230 nan 0.000 0.447 297 K N 0.774 121.096 120.400 -0.129 0.000 2.076 297 K HA -0.103 4.218 4.320 0.001 0.000 0.204 297 K C 2.216 178.750 176.600 -0.110 0.000 1.051 297 K CA 1.076 57.321 56.287 -0.071 0.000 0.949 297 K CB 0.001 32.516 32.500 0.026 0.000 0.726 297 K HN 0.198 nan 8.250 nan 0.000 0.443 298 A N 1.552 124.267 122.820 -0.176 0.000 1.902 298 A HA -0.117 4.203 4.320 0.001 0.000 0.217 298 A C 2.106 179.540 177.584 -0.251 0.000 1.181 298 A CA 1.294 53.235 52.037 -0.160 0.000 0.623 298 A CB -0.633 18.308 19.000 -0.098 0.000 0.818 298 A HN 0.328 nan 8.150 nan 0.000 0.443 299 L N -1.465 119.590 121.223 -0.280 0.000 2.141 299 L HA -0.121 4.220 4.340 0.001 0.000 0.209 299 L C 2.840 179.572 176.870 -0.231 0.000 1.094 299 L CA 1.122 55.771 54.840 -0.318 0.000 0.763 299 L CB -0.437 41.430 42.059 -0.321 0.000 0.908 299 L HN 0.356 nan 8.230 nan 0.000 0.437 300 R N -0.397 119.997 120.500 -0.177 0.000 2.115 300 R HA -0.174 4.167 4.340 0.001 0.000 0.226 300 R C 2.285 178.526 176.300 -0.099 0.000 1.100 300 R CA 0.999 57.027 56.100 -0.120 0.000 0.980 300 R CB -0.087 30.161 30.300 -0.086 0.000 0.875 300 R HN 0.226 nan 8.270 nan 0.000 0.445 301 Q N 1.292 121.031 119.800 -0.102 0.000 2.061 301 Q HA -0.135 4.206 4.340 0.001 0.000 0.204 301 Q C 1.785 177.731 176.000 -0.090 0.000 0.984 301 Q CA 1.725 57.485 55.803 -0.072 0.000 0.846 301 Q CB -0.249 28.454 28.738 -0.057 0.000 0.902 301 Q HN 0.341 nan 8.270 nan 0.000 0.421 302 I N -0.127 120.350 120.570 -0.156 0.000 2.179 302 I HA -0.294 3.877 4.170 0.001 0.000 0.242 302 I C 2.171 178.217 176.117 -0.118 0.000 1.088 302 I CA 1.041 62.239 61.300 -0.169 0.000 1.357 302 I CB -0.418 37.410 38.000 -0.286 0.000 1.051 302 I HN 0.224 nan 8.210 nan 0.000 0.409 303 L N 0.279 121.432 121.223 -0.118 0.000 2.081 303 L HA -0.187 4.153 4.340 0.001 0.000 0.212 303 L C 1.549 178.389 176.870 -0.051 0.000 1.080 303 L CA 1.075 55.865 54.840 -0.083 0.000 0.754 303 L CB -0.729 41.281 42.059 -0.082 0.000 0.893 303 L HN 0.212 nan 8.230 nan 0.000 0.433 307 G N 1.188 109.984 108.800 -0.007 0.000 2.159 307 G HA2 -0.247 3.714 3.960 0.001 0.000 0.227 307 G HA3 -0.247 3.714 3.960 0.001 0.000 0.227 307 G C 0.317 175.217 174.900 -0.000 0.000 0.986 307 G CA -0.012 45.086 45.100 -0.002 0.000 0.651 307 G HN 0.568 nan 8.290 nan 0.000 0.523 308 A N 0.143 122.960 122.820 -0.005 0.000 2.548 308 A HA 0.568 4.888 4.320 0.001 0.000 0.247 308 A C 1.271 178.863 177.584 0.013 0.000 1.067 308 A CA 1.563 53.603 52.037 0.005 0.000 0.757 308 A CB 0.377 19.372 19.000 -0.008 0.000 0.996 308 A HN 0.490 nan 8.150 nan 0.000 0.504 309 K N 0.887 121.304 120.400 0.027 0.000 2.128 309 K HA -0.035 4.286 4.320 0.001 0.000 0.202 309 K C -0.085 176.532 176.600 0.028 0.000 1.050 309 K CA 0.901 57.201 56.287 0.021 0.000 0.966 309 K CB 0.253 32.764 32.500 0.019 0.000 0.759 309 K HN 0.783 nan 8.250 nan 0.000 0.454 310 D N 0.787 121.221 120.400 0.058 0.000 2.483 310 D HA 0.140 4.781 4.640 0.001 0.000 0.281 310 D C 0.115 176.467 176.300 0.087 0.000 1.174 310 D CA -0.061 53.982 54.000 0.073 0.000 0.938 310 D CB 0.961 41.817 40.800 0.092 0.000 1.002 310 D HN 0.031 nan 8.370 nan 0.000 0.501 311 S N 1.847 117.570 115.700 0.037 0.000 2.429 311 S HA -0.274 4.196 4.470 0.001 0.000 0.263 311 S C 1.653 176.261 174.600 0.013 0.000 1.084 311 S CA 1.309 59.515 58.200 0.009 0.000 1.284 311 S CB -0.068 63.127 63.200 -0.009 0.000 1.192 311 S HN 0.559 nan 8.310 nan 0.000 0.436 312 E N -0.001 120.217 120.200 0.030 0.000 2.097 312 E HA -0.147 4.204 4.350 0.001 0.000 0.196 312 E C 1.762 178.400 176.600 0.063 0.000 1.000 312 E CA 1.051 57.470 56.400 0.032 0.000 0.804 312 E CB -0.427 29.299 29.700 0.044 0.000 0.740 312 E HN 0.590 nan 8.360 nan 0.000 0.454 313 F N 0.847 120.779 119.950 -0.031 0.000 2.113 313 F HA -0.166 4.362 4.527 0.001 0.000 0.297 313 F C 2.280 178.062 175.800 -0.030 0.000 1.103 313 F CA 0.924 58.908 58.000 -0.027 0.000 1.248 313 F CB -0.405 38.581 39.000 -0.023 0.000 0.999 313 F HN -0.196 nan 8.300 nan 0.000 0.475 314 V N 0.724 120.582 119.914 -0.093 0.000 2.407 314 V HA -0.302 3.819 4.120 0.001 0.000 0.248 314 V C 2.614 178.589 176.094 -0.199 0.000 1.055 314 V CA 1.742 63.931 62.300 -0.185 0.000 1.049 314 V CB -0.758 31.035 31.823 -0.050 0.000 0.662 314 V HN 0.412 nan 8.190 nan 0.000 0.455 315 L N -0.227 120.912 121.223 -0.139 0.000 2.127 315 L HA -0.210 4.131 4.340 0.001 0.000 0.211 315 L C 2.365 179.147 176.870 -0.148 0.000 1.089 315 L CA 1.591 56.352 54.840 -0.132 0.000 0.757 315 L CB -0.558 41.436 42.059 -0.108 0.000 0.899 315 L HN 0.427 nan 8.230 nan 0.000 0.434 316 D N -0.347 119.938 120.400 -0.192 0.000 2.149 316 D HA -0.260 4.380 4.640 0.001 0.000 0.198 316 D C 1.928 178.115 176.300 -0.189 0.000 0.990 316 D CA 1.371 55.259 54.000 -0.188 0.000 0.839 316 D CB 0.152 40.808 40.800 -0.241 0.000 0.948 316 D HN 0.474 nan 8.370 nan 0.000 0.460 317 E N 0.306 120.360 120.200 -0.242 0.000 2.076 317 E HA -0.096 4.255 4.350 0.001 0.000 0.190 317 E C 2.218 178.745 176.600 -0.122 0.000 0.979 317 E CA 0.320 56.610 56.400 -0.183 0.000 0.807 317 E CB 0.277 29.855 29.700 -0.204 0.000 0.761 317 E HN -0.052 nan 8.360 nan 0.000 0.454 318 V N 1.600 121.442 119.914 -0.120 0.000 2.282 318 V HA -0.303 3.817 4.120 0.001 0.000 0.249 318 V C 2.423 178.484 176.094 -0.055 0.000 1.057 318 V CA 1.704 63.953 62.300 -0.085 0.000 1.032 318 V CB -0.468 31.297 31.823 -0.096 0.000 0.645 318 V HN 0.357 nan 8.190 nan 0.000 0.447 319 L N -0.489 120.699 121.223 -0.058 0.000 2.240 319 L HA -0.078 4.263 4.340 0.001 0.000 0.211 319 L C 2.545 179.397 176.870 -0.029 0.000 1.106 319 L CA 1.039 55.868 54.840 -0.018 0.000 0.793 319 L CB -0.467 41.582 42.059 -0.016 0.000 0.927 319 L HN 0.351 nan 8.230 nan 0.000 0.446 320 E N 0.743 120.908 120.200 -0.058 0.000 2.051 320 E HA -0.114 4.237 4.350 0.001 0.000 0.192 320 E C 1.004 177.568 176.600 -0.060 0.000 0.991 320 E CA 1.055 57.418 56.400 -0.062 0.000 0.799 320 E CB 0.123 29.776 29.700 -0.078 0.000 0.748 320 E HN 0.386 nan 8.360 nan 0.000 0.449 321 N N -0.500 118.167 118.700 -0.056 0.000 2.385 321 N HA 0.152 4.893 4.740 0.001 0.000 0.291 321 N C -0.622 174.866 175.510 -0.036 0.000 1.298 321 N CA 0.705 53.726 53.050 -0.048 0.000 0.955 321 N CB -0.162 38.300 38.487 -0.042 0.000 1.096 321 N HN 0.021 nan 8.380 nan 0.000 0.543 322 T N -0.156 114.385 114.554 -0.022 0.000 0.618 322 T HA -0.093 4.258 4.350 0.001 0.000 0.766 322 T C -1.155 173.528 174.700 -0.028 0.000 0.991 322 T CA -0.087 62.014 62.100 0.003 0.000 4.037 322 T CB -0.890 68.004 68.868 0.043 0.000 2.281 322 T HN 0.511 nan 8.240 nan 0.000 0.395 323 S N 2.410 118.103 115.700 -0.012 0.000 2.454 323 S HA 0.700 5.170 4.470 0.001 0.000 0.306 323 S C 0.163 174.776 174.600 0.022 0.000 1.100 323 S CA -0.941 57.243 58.200 -0.026 0.000 1.087 323 S CB 1.951 65.225 63.200 0.124 0.000 1.019 323 S HN 0.673 nan 8.310 nan 0.000 0.480 324 V N 4.054 123.973 119.914 0.007 0.000 2.459 324 V HA 0.464 4.585 4.120 0.001 0.000 0.295 324 V C -0.394 175.688 176.094 -0.019 0.000 1.029 324 V CA -0.619 61.646 62.300 -0.057 0.000 0.874 324 V CB 1.429 33.173 31.823 -0.133 0.000 0.985 324 V HN 0.818 nan 8.190 nan 0.000 0.438 325 I N 3.316 123.797 120.570 -0.147 0.000 2.328 325 I HA 0.245 4.415 4.170 0.001 0.000 0.287 325 I C 0.530 176.485 176.117 -0.270 0.000 1.012 325 I CA -0.008 61.185 61.300 -0.179 0.000 1.195 325 I CB 1.623 39.453 38.000 -0.283 0.000 1.350 325 I HN 0.588 nan 8.210 nan 0.000 0.464 326 S N 5.121 120.713 115.700 -0.180 0.000 2.423 326 S HA 0.296 4.766 4.470 0.001 0.000 0.302 326 S C 0.498 175.027 174.600 -0.119 0.000 1.143 326 S CA -0.585 57.512 58.200 -0.172 0.000 1.080 326 S CB -0.083 63.068 63.200 -0.082 0.000 1.081 326 S HN 0.761 nan 8.310 nan 0.000 0.522 327 G N 4.144 112.847 108.800 -0.162 0.000 2.546 327 G HA2 0.404 4.364 3.960 0.001 0.000 0.320 327 G HA3 0.404 4.364 3.960 0.001 0.000 0.320 327 G C -0.578 174.355 174.900 0.055 0.000 0.984 327 G CA -0.403 44.664 45.100 -0.054 0.000 1.183 327 G HN 0.637 nan 8.290 nan 0.000 0.443 328 D N 0.961 121.417 120.400 0.092 0.000 2.592 328 D HA 0.526 5.167 4.640 0.001 0.000 0.263 328 D C 0.215 176.581 176.300 0.109 0.000 1.132 328 D CA -0.342 53.733 54.000 0.125 0.000 0.996 328 D CB 2.581 43.481 40.800 0.167 0.000 1.442 328 D HN 0.362 nan 8.370 nan 0.000 0.486 329 V N -1.014 118.971 119.914 0.118 0.000 2.997 329 V HA 0.773 4.893 4.120 0.001 0.000 0.311 329 V C 0.638 176.780 176.094 0.080 0.000 1.066 329 V CA -0.645 61.711 62.300 0.092 0.000 1.039 329 V CB 0.690 32.572 31.823 0.098 0.000 1.081 329 V HN 0.817 nan 8.190 nan 0.000 0.467 330 C N 0.446 119.784 119.300 0.063 0.000 3.205 330 C HA 1.022 5.483 4.460 0.001 0.000 0.372 330 C C 0.276 175.310 174.990 0.073 0.000 1.892 330 C CA -0.386 58.667 59.018 0.058 0.000 1.516 330 C CB 0.995 28.757 27.740 0.036 0.000 2.371 330 C HN 1.576 nan 8.230 nan 0.000 0.468 331 A N 0.278 123.158 122.820 0.101 0.000 2.318 331 A HA 0.818 5.138 4.320 0.001 0.000 0.324 331 A C -0.001 177.642 177.584 0.097 0.000 1.170 331 A CA 0.194 52.321 52.037 0.150 0.000 0.810 331 A CB 0.394 19.543 19.000 0.247 0.000 1.198 331 A HN 1.997 nan 8.150 nan 0.000 0.484 332 A N 1.575 124.444 122.820 0.080 0.000 2.316 332 A HA 0.561 4.882 4.320 0.001 0.000 0.284 332 A C 0.444 178.050 177.584 0.036 0.000 1.115 332 A CA -0.171 51.871 52.037 0.009 0.000 0.812 332 A CB 0.553 19.580 19.000 0.044 0.000 1.064 332 A HN 2.081 nan 8.150 nan 0.000 0.489 333 V N 2.721 122.594 119.914 -0.069 0.000 2.458 333 V HA 0.048 4.169 4.120 0.001 0.000 0.287 333 V C 0.371 176.528 176.094 0.104 0.000 1.009 333 V CA 0.446 62.771 62.300 0.042 0.000 1.091 333 V CB -0.319 31.484 31.823 -0.032 0.000 0.960 333 V HN 0.864 nan 8.190 nan 0.000 0.476 334 N N 7.304 126.111 118.700 0.178 0.000 2.500 334 N HA 0.400 5.141 4.740 0.001 0.000 0.236 334 N C -1.755 173.791 175.510 0.061 0.000 1.022 334 N CA -1.672 51.462 53.050 0.139 0.000 0.935 334 N CB 1.560 40.197 38.487 0.251 0.000 1.147 334 N HN 0.447 nan 8.380 nan 0.000 0.512 335 P HA -0.266 nan 4.420 nan 0.000 0.222 335 P C -1.508 175.717 177.300 -0.125 0.000 1.147 335 P CA 1.982 65.056 63.100 -0.042 0.000 0.958 335 P CB -0.671 31.003 31.700 -0.044 0.000 0.788 336 P HA -0.158 nan 4.420 nan 0.000 0.223 336 P C 0.180 177.158 177.300 -0.537 0.000 1.144 336 P CA 1.686 64.490 63.100 -0.493 0.000 0.783 336 P CB -0.430 30.816 31.700 -0.755 0.000 0.771 337 Y N -0.455 119.879 120.300 0.058 0.000 2.715 337 Y HA 0.250 4.801 4.550 0.001 0.000 0.255 337 Y C 2.023 177.961 175.900 0.064 0.000 1.139 337 Y CA -0.847 57.286 58.100 0.054 0.000 1.151 337 Y CB 0.149 38.642 38.460 0.055 0.000 1.201 337 Y HN -0.092 nan 8.280 nan 0.000 0.556 338 K N -0.609 119.874 120.400 0.138 0.000 2.211 338 K HA -0.215 4.105 4.320 0.001 0.000 0.204 338 K C 0.576 177.258 176.600 0.136 0.000 1.047 338 K CA 2.104 58.475 56.287 0.140 0.000 0.935 338 K CB -0.055 32.492 32.500 0.078 0.000 0.728 338 K HN 0.108 nan 8.250 nan 0.000 0.452 339 D N 0.924 121.391 120.400 0.112 0.000 2.309 339 D HA -0.079 4.561 4.640 0.001 0.000 0.212 339 D C 1.519 177.854 176.300 0.059 0.000 0.968 339 D CA 0.662 54.712 54.000 0.082 0.000 0.882 339 D CB 0.181 41.025 40.800 0.074 0.000 0.918 339 D HN 0.129 nan 8.370 nan 0.000 0.503 340 V N 0.077 120.015 119.914 0.040 0.000 3.306 340 V HA -0.056 4.065 4.120 0.001 0.000 0.264 340 V C 0.833 176.836 176.094 -0.152 0.000 1.149 340 V CA 0.714 62.972 62.300 -0.069 0.000 1.143 340 V CB -0.306 31.437 31.823 -0.133 0.000 0.767 340 V HN 0.238 nan 8.190 nan 0.000 0.476 341 H N -0.006 119.094 119.070 0.050 0.000 2.651 341 H HA 0.433 4.991 4.556 0.002 0.000 0.353 341 H C -0.804 174.545 175.328 0.037 0.000 1.178 341 H CA -0.766 55.305 56.048 0.039 0.000 1.224 341 H CB 1.851 31.635 29.762 0.037 0.000 1.702 341 H HN 0.129 nan 8.280 nan 0.000 0.550 342 D N 2.281 122.813 120.400 0.220 0.000 2.499 342 D HA 0.061 4.702 4.640 0.001 0.000 0.225 342 D C 0.782 177.145 176.300 0.106 0.000 1.124 342 D CA -0.427 53.652 54.000 0.132 0.000 0.938 342 D CB 0.125 40.996 40.800 0.119 0.000 1.014 342 D HN 0.173 nan 8.370 nan 0.000 0.517 343 L N 2.490 123.765 121.223 0.088 0.000 2.230 343 L HA -0.209 4.132 4.340 0.001 0.000 0.217 343 L C 1.788 178.682 176.870 0.041 0.000 1.090 343 L CA 1.578 56.442 54.840 0.040 0.000 0.771 343 L CB -1.313 40.768 42.059 0.037 0.000 0.892 343 L HN 0.622 nan 8.230 nan 0.000 0.438 344 H N -0.932 118.122 119.070 -0.026 0.000 2.555 344 H HA 0.112 4.668 4.556 0.001 0.000 0.269 344 H C 0.887 176.193 175.328 -0.038 0.000 0.988 344 H CA 0.789 56.816 56.048 -0.035 0.000 1.178 344 H CB 0.189 29.941 29.762 -0.016 0.000 1.373 344 H HN 0.350 nan 8.280 nan 0.000 0.588 345 N N -0.266 118.428 118.700 -0.011 0.000 2.390 345 N HA 0.220 4.960 4.740 0.001 0.000 0.259 345 N C -1.022 174.442 175.510 -0.076 0.000 1.395 345 N CA 0.239 53.257 53.050 -0.053 0.000 0.852 345 N CB 1.306 39.803 38.487 0.017 0.000 1.371 345 N HN 0.120 nan 8.380 nan 0.000 0.491 346 A N 1.995 124.737 122.820 -0.131 0.000 2.331 346 A HA 0.630 4.951 4.320 0.001 0.000 0.320 346 A C -2.450 174.989 177.584 -0.242 0.000 1.138 346 A CA -1.376 50.497 52.037 -0.272 0.000 0.790 346 A CB 1.435 20.168 19.000 -0.445 0.000 1.206 346 A HN -0.105 nan 8.150 nan 0.000 0.470 347 P HA 0.292 nan 4.420 nan 0.000 0.272 347 P C -1.048 176.186 177.300 -0.110 0.000 1.223 347 P CA -0.011 63.012 63.100 -0.128 0.000 0.784 347 P CB 0.815 32.471 31.700 -0.073 0.000 0.923 348 K N 1.680 122.057 120.400 -0.039 0.000 2.378 348 K HA 0.426 4.746 4.320 0.001 0.000 0.252 348 K C -0.206 176.501 176.600 0.178 0.000 0.931 348 K CA -1.010 55.295 56.287 0.031 0.000 0.794 348 K CB 1.682 34.142 32.500 -0.067 0.000 1.181 348 K HN 0.380 nan 8.250 nan 0.000 0.425 349 L N 2.168 123.480 121.223 0.149 0.000 2.628 349 L HA -0.060 4.280 4.340 0.001 0.000 0.274 349 L C 1.285 178.275 176.870 0.199 0.000 1.209 349 L CA 1.137 56.067 54.840 0.151 0.000 0.930 349 L CB -0.233 41.902 42.059 0.126 0.000 1.183 349 L HN 1.165 nan 8.230 nan 0.000 0.492 350 G N 2.354 111.222 108.800 0.114 0.000 2.213 350 G HA2 -0.319 3.641 3.960 0.001 0.000 0.226 350 G HA3 -0.319 3.641 3.960 0.001 0.000 0.226 350 G C 0.279 175.032 174.900 -0.246 0.000 0.992 350 G CA -0.223 44.868 45.100 -0.015 0.000 0.632 350 G HN 0.589 nan 8.290 nan 0.000 0.511 351 Y N 1.842 122.130 120.300 -0.021 0.000 2.495 351 Y HA 0.457 5.008 4.550 0.001 0.000 0.293 351 Y C 1.673 177.525 175.900 -0.081 0.000 1.186 351 Y CA 0.957 59.024 58.100 -0.055 0.000 1.266 351 Y CB 0.292 38.709 38.460 -0.071 0.000 1.101 351 Y HN 1.134 nan 8.280 nan 0.000 0.517 352 G N -0.537 108.253 108.800 -0.016 0.000 2.655 352 G HA2 -0.122 3.838 3.960 0.001 0.000 0.680 352 G HA3 -0.122 3.838 3.960 0.001 0.000 0.680 352 G C -0.718 174.180 174.900 -0.003 0.000 1.302 352 G CA -0.941 44.142 45.100 -0.027 0.000 0.872 352 G HN 0.228 nan 8.290 nan 0.000 0.540 353 V N -0.656 119.252 119.914 -0.010 0.000 2.901 353 V HA 0.483 4.603 4.120 0.001 0.000 0.307 353 V C 1.276 177.411 176.094 0.069 0.000 1.084 353 V CA 0.432 62.723 62.300 -0.015 0.000 1.184 353 V CB 0.587 32.372 31.823 -0.063 0.000 0.941 353 V HN 2.323 nan 8.190 nan 0.000 0.493 354 A N 4.947 127.793 122.820 0.043 0.000 2.305 354 A HA 0.711 5.032 4.320 0.001 0.000 0.322 354 A C -0.474 177.145 177.584 0.059 0.000 1.187 354 A CA -0.643 51.433 52.037 0.064 0.000 0.825 354 A CB 0.880 19.893 19.000 0.022 0.000 1.164 354 A HN 1.075 nan 8.150 nan 0.000 0.498 355 L N 4.035 125.315 121.223 0.095 0.000 2.264 355 L HA 0.537 4.878 4.340 0.001 0.000 0.287 355 L C -1.222 175.631 176.870 -0.028 0.000 1.039 355 L CA -0.519 54.323 54.840 0.003 0.000 0.829 355 L CB 0.931 42.974 42.059 -0.025 0.000 1.211 355 L HN 0.406 nan 8.230 nan 0.000 0.427 356 V N 5.790 125.666 119.914 -0.063 0.000 2.294 356 V HA 0.227 4.347 4.120 0.001 0.000 0.272 356 V C 0.239 176.249 176.094 -0.139 0.000 1.027 356 V CA -0.602 61.632 62.300 -0.110 0.000 0.823 356 V CB 1.013 32.787 31.823 -0.082 0.000 1.030 356 V HN 0.648 nan 8.190 nan 0.000 0.457 357 K N 6.468 126.750 120.400 -0.198 0.000 2.312 357 K HA 0.375 4.695 4.320 0.001 0.000 0.287 357 K C -0.382 176.045 176.600 -0.288 0.000 1.062 357 K CA -0.334 55.876 56.287 -0.128 0.000 0.934 357 K CB 0.392 32.867 32.500 -0.041 0.000 1.027 357 K HN 0.745 nan 8.250 nan 0.000 0.478 358 Y N 0.121 120.415 120.300 -0.011 0.000 2.517 358 Y HA -0.373 4.177 4.550 0.000 0.000 0.027 358 Y C -0.599 175.300 175.900 -0.002 0.000 1.711 358 Y CA 0.700 58.793 58.100 -0.011 0.000 1.411 358 Y CB -1.771 36.683 38.460 -0.009 0.000 2.057 358 Y HN 0.834 nan 8.280 nan 0.000 0.256 359 T N 0.837 115.518 114.554 0.211 0.000 1.603 359 T HA 0.823 5.173 4.350 0.001 0.000 0.175 359 T C 1.336 176.134 174.700 0.164 0.000 0.690 359 T CA 0.196 62.375 62.100 0.132 0.000 1.052 359 T CB 0.265 69.162 68.868 0.049 0.000 3.292 359 T HN 2.731 nan 8.240 nan 0.000 0.411 360 G N 1.694 110.546 108.800 0.086 0.000 2.562 360 G HA2 0.354 4.315 3.960 0.001 0.000 0.250 360 G HA3 0.354 4.315 3.960 0.001 0.000 0.250 360 G C -0.085 174.842 174.900 0.045 0.000 1.269 360 G CA -0.014 45.127 45.100 0.068 0.000 0.919 360 G HN 1.938 nan 8.290 nan 0.000 0.574 361 A N -1.464 121.364 122.820 0.014 0.000 2.609 361 A HA 0.834 5.155 4.320 0.001 0.000 0.291 361 A C 0.546 177.982 177.584 -0.247 0.000 1.096 361 A CA 0.587 52.594 52.037 -0.049 0.000 0.684 361 A CB 1.118 20.121 19.000 0.006 0.000 1.282 361 A HN 2.050 nan 8.150 nan 0.000 0.412 362 R N -0.091 120.240 120.500 -0.282 0.000 3.225 362 R HA -0.191 4.149 4.340 0.001 0.000 0.245 362 R C 0.833 176.558 176.300 -0.958 0.000 0.928 362 R CA 1.494 57.290 56.100 -0.507 0.000 0.632 362 R CB -2.264 27.780 30.300 -0.427 0.000 1.038 362 R HN 2.674 nan 8.270 nan 0.000 0.461 363 G N 0.027 108.499 108.800 -0.546 0.000 2.270 363 G HA2 -0.329 3.632 3.960 0.001 0.000 0.224 363 G HA3 -0.329 3.632 3.960 0.001 0.000 0.224 363 G C 0.206 174.898 174.900 -0.347 0.000 1.079 363 G CA 0.105 44.933 45.100 -0.455 0.000 0.807 363 G HN 0.437 nan 8.290 nan 0.000 0.492 364 K N -2.200 118.055 120.400 -0.242 0.000 3.117 364 K HA -0.210 4.110 4.320 0.001 0.000 0.269 364 K C 0.049 176.707 176.600 0.096 0.000 1.098 364 K CA 1.055 57.288 56.287 -0.090 0.000 0.785 364 K CB -1.437 30.959 32.500 -0.175 0.000 1.242 364 K HN 0.532 nan 8.250 nan 0.000 0.491 365 Y N 0.723 121.011 120.300 -0.020 0.000 2.359 365 Y HA 0.070 4.620 4.550 0.000 0.000 0.330 365 Y C 1.388 177.279 175.900 -0.015 0.000 1.143 365 Y CA -0.858 57.232 58.100 -0.017 0.000 1.318 365 Y CB 1.179 39.634 38.460 -0.009 0.000 1.234 365 Y HN 0.214 nan 8.280 nan 0.000 0.522 366 S N 0.793 116.572 115.700 0.132 0.000 3.486 366 S HA -0.191 4.279 4.470 0.001 0.000 0.371 366 S C 0.219 174.823 174.600 0.007 0.000 1.001 366 S CA 1.282 59.506 58.200 0.040 0.000 1.164 366 S CB -1.352 61.869 63.200 0.035 0.000 0.911 366 S HN 0.841 nan 8.310 nan 0.000 0.472 367 T N 0.701 115.267 114.554 0.019 0.000 2.906 367 T HA 0.461 4.811 4.350 0.001 0.000 0.295 367 T C -0.750 173.948 174.700 -0.005 0.000 1.061 367 T CA -0.850 61.252 62.100 0.005 0.000 1.000 367 T CB 1.318 70.223 68.868 0.062 0.000 1.103 367 T HN 0.334 nan 8.240 nan 0.000 0.486 368 N N 3.156 121.842 118.700 -0.023 0.000 2.444 368 N HA 0.114 4.855 4.740 0.001 0.000 0.271 368 N C -1.298 174.225 175.510 0.021 0.000 1.069 368 N CA -0.145 52.890 53.050 -0.025 0.000 0.965 368 N CB 0.962 39.424 38.487 -0.041 0.000 1.092 368 N HN 0.603 nan 8.380 nan 0.000 0.476 369 D N 2.786 123.185 120.400 -0.002 0.000 2.349 369 D HA 0.310 4.951 4.640 0.001 0.000 0.232 369 D C -0.561 175.692 176.300 -0.077 0.000 1.071 369 D CA -0.364 53.663 54.000 0.045 0.000 0.832 369 D CB 1.433 42.252 40.800 0.033 0.000 1.086 369 D HN 0.597 nan 8.370 nan 0.000 0.504 370 A N 4.475 127.290 122.820 -0.007 0.000 2.462 370 A HA 0.160 4.481 4.320 0.001 0.000 0.243 370 A C 0.235 177.803 177.584 -0.025 0.000 1.076 370 A CA -0.102 51.926 52.037 -0.015 0.000 0.773 370 A CB 0.130 19.184 19.000 0.091 0.000 1.010 370 A HN 0.631 nan 8.150 nan 0.000 0.493 371 H N 1.641 120.810 119.070 0.165 0.000 2.732 371 H HA 0.248 4.805 4.556 0.001 0.000 0.351 371 H C 1.576 176.977 175.328 0.123 0.000 1.090 371 H CA 0.465 56.587 56.048 0.122 0.000 1.431 371 H CB 1.093 30.912 29.762 0.096 0.000 1.447 371 H HN 0.792 nan 8.280 nan 0.000 0.582 372 A N 3.868 126.818 122.820 0.216 0.000 1.948 372 A HA -0.222 4.098 4.320 0.001 0.000 0.220 372 A C 2.024 179.680 177.584 0.121 0.000 1.177 372 A CA 1.639 53.755 52.037 0.131 0.000 0.636 372 A CB -0.183 18.876 19.000 0.099 0.000 0.815 372 A HN 0.761 nan 8.150 nan 0.000 0.449 373 E N -0.750 119.539 120.200 0.148 0.000 2.077 373 E HA -0.200 4.150 4.350 0.001 0.000 0.193 373 E C 1.933 178.646 176.600 0.187 0.000 0.989 373 E CA 1.182 57.657 56.400 0.124 0.000 0.800 373 E CB -0.758 28.997 29.700 0.092 0.000 0.746 373 E HN 0.791 nan 8.360 nan 0.000 0.452 374 F N 1.806 121.785 119.950 0.049 0.000 2.113 374 F HA -0.183 4.344 4.527 0.001 0.000 0.297 374 F C 2.337 178.119 175.800 -0.031 0.000 1.103 374 F CA 0.649 58.658 58.000 0.015 0.000 1.248 374 F CB 0.205 39.227 39.000 0.037 0.000 0.999 374 F HN -0.208 nan 8.300 nan 0.000 0.475 375 V N 0.695 120.572 119.914 -0.061 0.000 2.392 375 V HA -0.365 3.755 4.120 0.001 0.000 0.249 375 V C 2.642 178.611 176.094 -0.209 0.000 1.059 375 V CA 1.756 63.923 62.300 -0.221 0.000 1.051 375 V CB -1.437 30.330 31.823 -0.094 0.000 0.658 375 V HN 0.499 nan 8.190 nan 0.000 0.455 376 A N -0.015 122.755 122.820 -0.085 0.000 1.877 376 A HA -0.239 4.082 4.320 0.001 0.000 0.216 376 A C 2.382 179.906 177.584 -0.100 0.000 1.186 376 A CA 1.929 53.926 52.037 -0.067 0.000 0.620 376 A CB -0.520 18.477 19.000 -0.006 0.000 0.822 376 A HN 0.504 nan 8.150 nan 0.000 0.443 377 R N -0.817 119.640 120.500 -0.073 0.000 2.120 377 R HA -0.070 4.271 4.340 0.001 0.000 0.234 377 R C 1.967 178.161 176.300 -0.177 0.000 1.123 377 R CA 1.386 57.445 56.100 -0.067 0.000 0.975 377 R CB -0.427 29.904 30.300 0.052 0.000 0.866 377 R HN 0.411 nan 8.270 nan 0.000 0.446 378 V N 0.600 120.314 119.914 -0.334 0.000 2.407 378 V HA -0.160 3.960 4.120 0.001 0.000 0.245 378 V C 2.457 178.291 176.094 -0.434 0.000 1.041 378 V CA 1.327 63.365 62.300 -0.436 0.000 1.040 378 V CB -0.499 30.941 31.823 -0.638 0.000 0.671 378 V HN 0.266 nan 8.190 nan 0.000 0.455 379 R N 0.431 120.675 120.500 -0.428 0.000 2.096 379 R HA -0.200 4.140 4.340 0.001 0.000 0.235 379 R C 2.376 178.529 176.300 -0.245 0.000 1.127 379 R CA 1.965 57.794 56.100 -0.452 0.000 0.968 379 R CB -0.206 29.922 30.300 -0.287 0.000 0.861 379 R HN 0.482 nan 8.270 nan 0.000 0.440 380 K N -0.095 120.208 120.400 -0.162 0.000 2.026 380 K HA -0.084 4.236 4.320 0.001 0.000 0.208 380 K C 1.976 178.520 176.600 -0.094 0.000 1.048 380 K CA 1.352 57.585 56.287 -0.090 0.000 0.929 380 K CB -0.001 32.461 32.500 -0.063 0.000 0.713 380 K HN -0.021 nan 8.250 nan 0.000 0.439 381 V N 1.633 121.470 119.914 -0.129 0.000 2.295 381 V HA -0.257 3.864 4.120 0.001 0.000 0.246 381 V C 2.304 178.322 176.094 -0.126 0.000 1.049 381 V CA 1.661 63.891 62.300 -0.117 0.000 1.024 381 V CB -0.389 31.355 31.823 -0.130 0.000 0.648 381 V HN 0.327 nan 8.190 nan 0.000 0.447 382 L N 0.064 121.172 121.223 -0.192 0.000 1.994 382 L HA -0.186 4.154 4.340 0.001 0.000 0.208 382 L C 2.512 179.363 176.870 -0.032 0.000 1.071 382 L CA 1.688 56.423 54.840 -0.174 0.000 0.745 382 L CB -0.805 41.003 42.059 -0.418 0.000 0.892 382 L HN 0.371 nan 8.230 nan 0.000 0.431 383 N N 0.108 118.814 118.700 0.009 0.000 2.166 383 N HA -0.180 4.561 4.740 0.001 0.000 0.186 383 N C 1.731 177.255 175.510 0.023 0.000 1.019 383 N CA 1.244 54.343 53.050 0.083 0.000 0.856 383 N CB -0.135 38.413 38.487 0.102 0.000 0.993 383 N HN 0.446 nan 8.380 nan 0.000 0.426 384 E N 0.291 120.485 120.200 -0.010 0.000 2.152 384 E HA -0.075 4.275 4.350 0.001 0.000 0.192 384 E C 1.167 177.753 176.600 -0.022 0.000 0.983 384 E CA 0.618 57.008 56.400 -0.016 0.000 0.818 384 E CB 0.059 29.744 29.700 -0.026 0.000 0.758 384 E HN 0.277 nan 8.360 nan 0.000 0.467 385 Q N -0.445 119.334 119.800 -0.035 0.000 2.403 385 Q HA 0.058 4.398 4.340 0.001 0.000 0.203 385 Q C 0.994 176.973 176.000 -0.034 0.000 0.932 385 Q CA 0.681 56.457 55.803 -0.045 0.000 0.945 385 Q CB 0.817 29.511 28.738 -0.074 0.000 1.045 385 Q HN 0.411 nan 8.270 nan 0.000 0.511 386 G N 0.772 109.563 108.800 -0.015 0.000 2.198 386 G HA2 -0.268 3.692 3.960 0.001 0.000 0.260 386 G HA3 -0.268 3.692 3.960 0.001 0.000 0.260 386 G C 0.218 175.110 174.900 -0.014 0.000 1.025 386 G CA 0.359 45.452 45.100 -0.013 0.000 0.769 386 G HN 0.240 nan 8.290 nan 0.000 0.507 387 V N 0.861 120.779 119.914 0.007 0.000 2.637 387 V HA 0.334 4.454 4.120 0.001 0.000 0.296 387 V C 1.190 177.355 176.094 0.118 0.000 1.046 387 V CA -0.040 62.269 62.300 0.016 0.000 1.066 387 V CB 1.405 33.217 31.823 -0.019 0.000 0.968 387 V HN 0.314 nan 8.190 nan 0.000 0.483 388 I N 6.482 127.076 120.570 0.040 0.000 2.291 388 I HA 0.328 4.498 4.170 0.001 0.000 0.290 388 I C -0.110 176.046 176.117 0.065 0.000 1.050 388 I CA -0.055 61.240 61.300 -0.008 0.000 1.245 388 I CB 0.266 38.215 38.000 -0.086 0.000 1.405 388 I HN 0.732 nan 8.210 nan 0.000 0.478 389 W N 6.744 127.989 121.300 -0.091 0.000 2.992 389 W HA 0.696 5.356 4.660 0.000 0.000 0.342 389 W C -1.561 174.923 176.519 -0.057 0.000 1.176 389 W CA -1.061 56.234 57.345 -0.083 0.000 1.118 389 W CB 1.090 30.490 29.460 -0.099 0.000 1.457 389 W HN 0.512 nan 8.180 nan 0.000 0.573 390 Q N 0.294 120.118 119.800 0.039 0.000 2.377 390 Q HA 0.558 4.898 4.340 0.001 0.000 0.279 390 Q C -1.521 174.525 176.000 0.075 0.000 1.049 390 Q CA -0.969 54.753 55.803 -0.135 0.000 0.825 390 Q CB 2.372 31.047 28.738 -0.104 0.000 1.401 390 Q HN 0.275 nan 8.270 nan 0.000 0.404 391 V N 1.072 120.979 119.914 -0.010 0.000 2.843 391 V HA 0.536 4.657 4.120 0.001 0.000 0.305 391 V C -0.097 175.979 176.094 -0.031 0.000 1.065 391 V CA 0.590 62.916 62.300 0.043 0.000 1.116 391 V CB 1.044 32.855 31.823 -0.018 0.000 0.968 391 V HN 0.888 nan 8.190 nan 0.000 0.487 392 A N 3.442 126.236 122.820 -0.043 0.000 2.429 392 A HA 0.681 5.001 4.320 0.001 0.000 0.289 392 A C -0.422 177.098 177.584 -0.106 0.000 1.043 392 A CA -0.430 51.565 52.037 -0.071 0.000 0.722 392 A CB 1.794 20.767 19.000 -0.045 0.000 1.243 392 A HN 0.675 nan 8.150 nan 0.000 0.415 393 T N 1.494 116.002 114.554 -0.077 0.000 2.918 393 T HA 0.473 4.824 4.350 0.001 0.000 0.286 393 T C -0.243 174.486 174.700 0.049 0.000 1.026 393 T CA -0.193 61.868 62.100 -0.064 0.000 1.031 393 T CB 0.963 69.831 68.868 0.000 0.000 1.046 393 T HN 0.510 nan 8.240 nan 0.000 0.479 394 L N 3.433 124.686 121.223 0.049 0.000 2.796 394 L HA 0.521 4.862 4.340 0.001 0.000 0.235 394 L C 0.792 177.713 176.870 0.085 0.000 1.344 394 L CA 0.739 55.638 54.840 0.098 0.000 1.245 394 L CB -1.123 40.965 42.059 0.049 0.000 1.556 394 L HN 1.002 nan 8.230 nan 0.000 0.423 395 G N 0.304 109.195 108.800 0.152 0.000 2.707 395 G HA2 -0.179 3.782 3.960 0.001 0.000 0.686 395 G HA3 -0.179 3.782 3.960 0.001 0.000 0.686 395 G C -0.402 174.530 174.900 0.053 0.000 1.315 395 G CA -0.902 44.186 45.100 -0.020 0.000 0.832 395 G HN 0.288 nan 8.290 nan 0.000 0.573 396 K N -0.179 120.233 120.400 0.020 0.000 2.402 396 K HA 0.217 4.537 4.320 0.001 0.000 0.265 396 K C 1.966 178.585 176.600 0.032 0.000 0.978 396 K CA 0.119 56.430 56.287 0.041 0.000 0.913 396 K CB 0.467 32.980 32.500 0.022 0.000 0.954 396 K HN 0.451 nan 8.250 nan 0.000 0.511 397 V N 1.282 121.217 119.914 0.035 0.000 2.236 397 V HA -0.292 3.828 4.120 0.001 0.000 0.255 397 V C 0.931 177.018 176.094 -0.012 0.000 1.068 397 V CA 2.037 64.347 62.300 0.018 0.000 1.044 397 V CB -0.255 31.570 31.823 0.003 0.000 0.653 397 V HN 0.770 nan 8.190 nan 0.000 0.448 398 D N -1.152 119.236 120.400 -0.020 0.000 3.058 398 D HA 0.146 4.787 4.640 0.001 0.000 0.272 398 D C 1.495 177.780 176.300 -0.025 0.000 1.350 398 D CA -0.083 53.897 54.000 -0.034 0.000 0.863 398 D CB 0.830 41.608 40.800 -0.038 0.000 1.064 398 D HN 0.390 nan 8.370 nan 0.000 0.488 399 Q N -0.144 119.641 119.800 -0.025 0.000 2.269 399 Q HA 0.155 4.496 4.340 0.001 0.000 0.201 399 Q C 1.308 177.290 176.000 -0.029 0.000 0.946 399 Q CA 0.578 56.361 55.803 -0.034 0.000 0.877 399 Q CB 0.814 29.516 28.738 -0.059 0.000 0.963 399 Q HN 0.471 nan 8.270 nan 0.000 0.472 400 G N -1.381 107.406 108.800 -0.022 0.000 2.408 400 G HA2 0.061 4.022 3.960 0.001 0.000 0.204 400 G HA3 0.061 4.022 3.960 0.001 0.000 0.204 400 G C 0.427 175.324 174.900 -0.005 0.000 1.186 400 G CA -0.159 44.934 45.100 -0.012 0.000 1.139 400 G HN 0.647 nan 8.290 nan 0.000 0.563 401 G N -0.202 108.596 108.800 -0.002 0.000 2.629 401 G HA2 0.385 4.345 3.960 0.001 0.000 0.313 401 G HA3 0.385 4.345 3.960 0.001 0.000 0.313 401 G C 1.873 176.782 174.900 0.015 0.000 1.217 401 G CA 2.271 47.370 45.100 -0.001 0.000 0.994 401 G HN 3.223 nan 8.290 nan 0.000 0.549 402 G N -1.081 107.730 108.800 0.019 0.000 3.051 402 G HA2 0.521 4.482 3.960 0.001 0.000 0.686 402 G HA3 0.521 4.482 3.960 0.001 0.000 0.686 402 G C 1.275 176.192 174.900 0.029 0.000 1.461 402 G CA 0.917 46.036 45.100 0.031 0.000 1.129 402 G HN 3.162 nan 8.290 nan 0.000 0.601 403 G N 0.360 109.175 108.800 0.025 0.000 2.952 403 G HA2 0.622 4.583 3.960 0.001 0.000 0.431 403 G HA3 0.622 4.583 3.960 0.001 0.000 0.431 403 G C -0.056 174.855 174.900 0.019 0.000 1.325 403 G CA 0.639 45.745 45.100 0.011 0.000 1.146 403 G HN 2.777 nan 8.290 nan 0.000 0.581 404 T N -0.737 113.815 114.554 -0.003 0.000 2.573 404 T HA 0.774 5.125 4.350 0.001 0.000 0.259 404 T C 1.674 176.382 174.700 0.014 0.000 0.886 404 T CA -0.019 62.101 62.100 0.034 0.000 1.110 404 T CB 1.122 70.018 68.868 0.046 0.000 1.421 404 T HN 1.443 nan 8.240 nan 0.000 0.523 405 I N -1.430 119.191 120.570 0.084 0.000 4.057 405 I HA 0.551 4.721 4.170 0.001 0.000 0.334 405 I C 2.335 178.563 176.117 0.185 0.000 1.308 405 I CA -0.130 61.291 61.300 0.200 0.000 1.125 405 I CB -0.411 37.767 38.000 0.296 0.000 1.034 405 I HN 0.618 nan 8.210 nan 0.000 0.401 406 A N 3.610 126.470 122.820 0.068 0.000 1.948 406 A HA -0.282 4.039 4.320 0.001 0.000 0.220 406 A C 2.401 180.024 177.584 0.064 0.000 1.177 406 A CA 2.633 54.718 52.037 0.080 0.000 0.636 406 A CB -0.621 18.387 19.000 0.013 0.000 0.815 406 A HN 0.707 nan 8.150 nan 0.000 0.449 407 K N -1.352 118.960 120.400 -0.146 0.000 2.147 407 K HA -0.092 4.229 4.320 0.001 0.000 0.205 407 K C 1.208 177.686 176.600 -0.203 0.000 1.049 407 K CA 1.806 57.953 56.287 -0.233 0.000 0.936 407 K CB -0.639 31.619 32.500 -0.403 0.000 0.722 407 K HN 0.319 nan 8.250 nan 0.000 0.446 408 F N -0.100 119.840 119.950 -0.016 0.000 2.604 408 F HA 0.122 4.649 4.527 0.001 0.000 0.298 408 F C 1.156 176.722 175.800 -0.390 0.000 1.131 408 F CA 0.267 58.142 58.000 -0.208 0.000 1.457 408 F CB -0.307 38.490 39.000 -0.339 0.000 1.095 408 F HN -0.069 nan 8.300 nan 0.000 0.574 409 F N -0.844 119.148 119.950 0.070 0.000 2.559 409 F HA 0.257 4.784 4.527 0.001 0.000 0.286 409 F C 2.325 178.151 175.800 0.045 0.000 1.108 409 F CA 0.600 58.635 58.000 0.057 0.000 1.436 409 F CB -0.904 38.089 39.000 -0.012 0.000 1.130 409 F HN -0.112 nan 8.300 nan 0.000 0.584 410 A N -0.134 122.775 122.820 0.149 0.000 2.015 410 A HA -0.191 4.130 4.320 0.001 0.000 0.219 410 A C 2.050 179.666 177.584 0.052 0.000 1.163 410 A CA 1.637 53.717 52.037 0.071 0.000 0.646 410 A CB -0.765 18.250 19.000 0.026 0.000 0.806 410 A HN 0.424 nan 8.150 nan 0.000 0.448 411 E N 0.095 120.320 120.200 0.042 0.000 2.153 411 E HA -0.168 4.182 4.350 0.001 0.000 0.194 411 E C 1.561 178.181 176.600 0.032 0.000 0.988 411 E CA 0.956 57.376 56.400 0.034 0.000 0.811 411 E CB -0.043 29.686 29.700 0.048 0.000 0.746 411 E HN 0.611 nan 8.360 nan 0.000 0.466 412 R N -1.186 119.339 120.500 0.041 0.000 2.356 412 R HA 0.172 4.512 4.340 0.001 0.000 0.234 412 R C 0.978 177.305 176.300 0.045 0.000 0.929 412 R CA 0.469 56.595 56.100 0.043 0.000 1.084 412 R CB 0.734 31.079 30.300 0.076 0.000 1.105 412 R HN 0.281 nan 8.270 nan 0.000 0.515 413 G N 0.328 109.152 108.800 0.041 0.000 2.175 413 G HA2 -0.264 3.697 3.960 0.001 0.000 0.244 413 G HA3 -0.264 3.697 3.960 0.001 0.000 0.244 413 G C 0.136 175.044 174.900 0.012 0.000 0.982 413 G CA 0.001 45.114 45.100 0.021 0.000 0.641 413 G HN 0.318 nan 8.290 nan 0.000 0.527 414 S N 0.518 116.242 115.700 0.041 0.000 2.616 414 S HA 0.552 5.022 4.470 0.001 0.000 0.277 414 S C -0.316 174.232 174.600 -0.086 0.000 1.234 414 S CA -0.499 57.698 58.200 -0.005 0.000 1.028 414 S CB 1.508 64.754 63.200 0.078 0.000 0.988 414 S HN 0.326 nan 8.310 nan 0.000 0.522 415 D N 1.122 121.355 120.400 -0.279 0.000 2.304 415 D HA 0.489 5.129 4.640 0.001 0.000 0.250 415 D C -0.603 175.363 176.300 -0.557 0.000 1.107 415 D CA 0.130 53.815 54.000 -0.526 0.000 0.885 415 D CB 0.813 41.005 40.800 -1.014 0.000 1.192 415 D HN 0.137 nan 8.370 nan 0.000 0.436 416 V N 2.861 122.679 119.914 -0.159 0.000 3.040 416 V HA 0.582 4.703 4.120 0.001 0.000 0.312 416 V C -0.462 175.863 176.094 0.385 0.000 1.115 416 V CA -0.957 61.446 62.300 0.172 0.000 0.998 416 V CB 2.207 34.076 31.823 0.076 0.000 1.042 416 V HN 0.476 nan 8.190 nan 0.000 0.433 417 I N 0.602 121.347 120.570 0.291 0.000 2.752 417 I HA 0.453 4.623 4.170 0.001 0.000 0.295 417 I C -0.920 175.194 176.117 -0.006 0.000 1.219 417 I CA -0.329 61.023 61.300 0.087 0.000 1.030 417 I CB 2.224 40.157 38.000 -0.112 0.000 1.259 417 I HN 0.692 nan 8.210 nan 0.000 0.423 421 P HA 0.512 nan 4.420 nan 0.000 0.276 421 P C -0.335 176.973 177.300 0.014 0.000 1.252 421 P CA -0.018 63.070 63.100 -0.021 0.000 0.802 421 P CB 1.618 33.291 31.700 -0.045 0.000 1.035 422 A N 2.429 125.260 122.820 0.019 0.000 2.309 422 A HA 0.612 4.932 4.320 0.001 0.000 0.298 422 A C -0.003 177.610 177.584 0.048 0.000 1.165 422 A CA -0.627 51.430 52.037 0.033 0.000 0.821 422 A CB -0.020 18.993 19.000 0.022 0.000 1.102 422 A HN 0.499 nan 8.150 nan 0.000 0.500 423 L N 1.086 122.347 121.223 0.063 0.000 2.286 423 L HA 0.621 4.961 4.340 0.001 0.000 0.265 423 L C -1.089 175.834 176.870 0.088 0.000 1.012 423 L CA -1.070 53.813 54.840 0.071 0.000 0.818 423 L CB 1.632 43.738 42.059 0.078 0.000 1.337 423 L HN 0.506 nan 8.230 nan 0.000 0.438 424 L N 0.554 121.829 121.223 0.088 0.000 2.381 424 L HA 0.777 5.118 4.340 0.001 0.000 0.274 424 L C 0.218 177.156 176.870 0.113 0.000 0.988 424 L CA 0.276 55.182 54.840 0.110 0.000 0.824 424 L CB 1.326 43.446 42.059 0.102 0.000 1.263 424 L HN 0.775 nan 8.230 nan 0.000 0.410 428 S N 1.009 116.879 115.700 0.283 0.000 2.681 428 S HA 0.230 4.700 4.470 0.001 0.000 0.270 428 S C -1.937 172.727 174.600 0.106 0.000 1.209 428 S CA -1.070 57.164 58.200 0.056 0.000 0.988 428 S CB 2.031 65.085 63.200 -0.244 0.000 1.006 428 S HN -0.153 nan 8.310 nan 0.000 0.558 429 P HA 0.182 nan 4.420 nan 0.000 0.230 429 P C -0.391 177.145 177.300 0.394 0.000 1.158 429 P CA 0.833 63.918 63.100 -0.024 0.000 0.769 429 P CB -0.028 31.411 31.700 -0.436 0.000 0.807 430 F N 0.441 120.475 119.950 0.141 0.000 2.769 430 F HA 0.256 4.783 4.527 0.000 0.000 0.358 430 F C -0.248 175.610 175.800 0.098 0.000 1.285 430 F CA -1.205 56.896 58.000 0.169 0.000 1.199 430 F CB 0.469 39.532 39.000 0.105 0.000 1.558 430 F HN -0.296 nan 8.300 nan 0.000 0.583 431 E N 4.095 124.276 120.200 -0.032 0.000 2.354 431 E HA 0.285 4.636 4.350 0.001 0.000 0.269 431 E C -0.371 176.130 176.600 -0.165 0.000 1.036 431 E CA -0.335 56.042 56.400 -0.038 0.000 0.876 431 E CB 1.463 31.181 29.700 0.029 0.000 1.009 431 E HN 0.232 nan 8.360 nan 0.000 0.416 432 I N 2.090 122.619 120.570 -0.068 0.000 2.498 432 I HA 0.252 4.422 4.170 0.001 0.000 0.301 432 I C 0.375 176.495 176.117 0.005 0.000 0.984 432 I CA -0.271 60.992 61.300 -0.063 0.000 1.204 432 I CB 1.134 39.136 38.000 0.003 0.000 1.362 432 I HN 0.556 nan 8.210 nan 0.000 0.471 433 S N 2.767 118.480 115.700 0.021 0.000 2.570 433 S HA 0.480 4.950 4.470 0.001 0.000 0.270 433 S C -0.717 173.929 174.600 0.076 0.000 1.149 433 S CA -0.746 57.485 58.200 0.052 0.000 0.837 433 S CB 1.817 65.050 63.200 0.055 0.000 1.124 433 S HN 0.551 nan 8.310 nan 0.000 0.465 434 S N 0.410 116.159 115.700 0.080 0.000 2.513 434 S HA 0.349 4.819 4.470 0.001 0.000 0.276 434 S C 0.951 175.605 174.600 0.090 0.000 1.254 434 S CA -0.598 57.677 58.200 0.125 0.000 1.053 434 S CB 0.594 63.869 63.200 0.125 0.000 0.958 434 S HN 0.737 nan 8.310 nan 0.000 0.491 435 K N 3.371 123.870 120.400 0.165 0.000 2.063 435 K HA -0.133 4.188 4.320 0.001 0.000 0.208 435 K C 2.270 178.799 176.600 -0.118 0.000 1.048 435 K CA 1.595 57.938 56.287 0.093 0.000 0.928 435 K CB -0.371 32.260 32.500 0.219 0.000 0.713 435 K HN 0.747 nan 8.250 nan 0.000 0.442 436 A N 1.895 124.471 122.820 -0.407 0.000 1.877 436 A HA -0.211 4.110 4.320 0.001 0.000 0.216 436 A C 1.671 179.097 177.584 -0.262 0.000 1.186 436 A CA 1.931 53.571 52.037 -0.663 0.000 0.620 436 A CB -0.453 17.758 19.000 -1.315 0.000 0.822 436 A HN 0.203 nan 8.150 nan 0.000 0.443 437 D N 0.006 120.304 120.400 -0.171 0.000 2.144 437 D HA -0.140 4.500 4.640 0.001 0.000 0.199 437 D C 1.926 178.161 176.300 -0.109 0.000 0.984 437 D CA 0.945 54.878 54.000 -0.112 0.000 0.834 437 D CB -0.418 40.347 40.800 -0.059 0.000 0.955 437 D HN 0.341 nan 8.370 nan 0.000 0.465 438 L N 0.265 121.443 121.223 -0.074 0.000 2.042 438 L HA -0.191 4.150 4.340 0.001 0.000 0.210 438 L C 2.142 178.996 176.870 -0.027 0.000 1.076 438 L CA 1.509 56.305 54.840 -0.074 0.000 0.749 438 L CB -0.670 41.342 42.059 -0.078 0.000 0.893 438 L HN -0.058 nan 8.230 nan 0.000 0.432 439 F N 1.334 121.176 119.950 -0.181 0.000 2.163 439 F HA -0.190 4.338 4.527 0.001 0.000 0.297 439 F C 2.469 178.094 175.800 -0.291 0.000 1.094 439 F CA 1.824 59.631 58.000 -0.321 0.000 1.290 439 F CB -0.127 38.700 39.000 -0.289 0.000 1.017 439 F HN 0.135 nan 8.300 nan 0.000 0.483 440 E N -0.373 119.683 120.200 -0.239 0.000 2.204 440 E HA -0.112 4.239 4.350 0.001 0.000 0.194 440 E C 2.025 178.391 176.600 -0.389 0.000 0.989 440 E CA 1.660 57.874 56.400 -0.310 0.000 0.824 440 E CB -0.386 29.217 29.700 -0.162 0.000 0.756 440 E HN 0.369 nan 8.360 nan 0.000 0.477 441 T N -0.276 114.038 114.554 -0.400 0.000 2.777 441 T HA -0.169 4.182 4.350 0.001 0.000 0.266 441 T C 1.447 175.685 174.700 -0.771 0.000 1.040 441 T CA 1.349 63.080 62.100 -0.615 0.000 1.141 441 T CB -0.599 67.927 68.868 -0.571 0.000 0.868 441 T HN 0.377 nan 8.240 nan 0.000 0.444 442 Y N 2.527 122.421 120.300 -0.677 0.000 2.097 442 Y HA -0.198 4.352 4.550 0.001 0.000 0.282 442 Y C 2.190 177.763 175.900 -0.546 0.000 1.152 442 Y CA 0.924 58.664 58.100 -0.600 0.000 1.136 442 Y CB -0.921 37.027 38.460 -0.854 0.000 0.975 442 Y HN -0.022 nan 8.280 nan 0.000 0.498 443 V N 1.313 120.682 119.914 -0.908 0.000 2.231 443 V HA -0.391 3.730 4.120 0.001 0.000 0.248 443 V C 2.833 178.598 176.094 -0.549 0.000 1.054 443 V CA 2.285 64.093 62.300 -0.821 0.000 1.015 443 V CB -1.892 29.580 31.823 -0.586 0.000 0.638 443 V HN 0.638 nan 8.190 nan 0.000 0.444 444 A N -1.135 121.430 122.820 -0.425 0.000 1.873 444 A HA -0.277 4.044 4.320 0.001 0.000 0.218 444 A C 2.140 179.639 177.584 -0.142 0.000 1.193 444 A CA 2.319 54.195 52.037 -0.267 0.000 0.629 444 A CB -1.018 17.835 19.000 -0.244 0.000 0.826 444 A HN 0.649 nan 8.150 nan 0.000 0.447 445 Y N -1.005 119.119 120.300 -0.294 0.000 2.165 445 Y HA -0.276 4.275 4.550 0.001 0.000 0.286 445 Y C 2.832 178.566 175.900 -0.276 0.000 1.155 445 Y CA 1.405 59.352 58.100 -0.255 0.000 1.164 445 Y CB -0.197 38.129 38.460 -0.224 0.000 0.978 445 Y HN 0.340 nan 8.280 nan 0.000 0.513 446 R N 0.412 120.774 120.500 -0.231 0.000 2.073 446 R HA -0.152 4.188 4.340 0.001 0.000 0.234 446 R C 2.316 178.498 176.300 -0.197 0.000 1.134 446 R CA 1.715 57.650 56.100 -0.275 0.000 0.952 446 R CB -0.248 29.746 30.300 -0.511 0.000 0.850 446 R HN 0.139 nan 8.270 nan 0.000 0.433 447 S N 0.920 116.493 115.700 -0.212 0.000 2.370 447 S HA -0.083 4.388 4.470 0.001 0.000 0.226 447 S C 1.131 175.659 174.600 -0.120 0.000 1.033 447 S CA 0.779 58.885 58.200 -0.157 0.000 1.011 447 S CB -0.217 62.886 63.200 -0.162 0.000 0.852 447 S HN 0.178 nan 8.310 nan 0.000 0.457 451 K N 1.146 121.515 120.400 -0.051 0.000 2.437 451 K HA 0.278 4.598 4.320 0.001 0.000 0.198 451 K C 0.485 177.063 176.600 -0.037 0.000 1.024 451 K CA 0.046 56.307 56.287 -0.043 0.000 1.148 451 K CB 0.359 32.828 32.500 -0.050 0.000 0.860 451 K HN 0.023 nan 8.250 nan 0.000 0.515 452 L N 0.000 121.204 121.223 -0.032 0.000 2.949 452 L HA 0.000 4.341 4.340 0.001 0.000 0.249 452 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 452 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 452 L HN 0.000 nan 8.230 nan 0.000 0.502