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_B 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 0.000 176.593 176.600 -0.012 0.000 0.988 3 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 3 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 6 R N 2.928 123.385 120.500 -0.072 0.000 2.543 6 R HA 0.266 4.607 4.340 0.001 0.000 0.277 6 R C -0.220 176.175 176.300 0.158 0.000 1.074 6 R CA 0.080 56.169 56.100 -0.018 0.000 1.076 6 R CB 0.726 31.014 30.300 -0.021 0.000 0.993 6 R HN 0.314 nan 8.270 nan 0.000 0.459 7 K N 1.710 122.173 120.400 0.104 0.000 2.110 7 K HA 0.144 4.464 4.320 0.001 0.000 0.263 7 K C -0.175 176.463 176.600 0.063 0.000 0.975 7 K CA -0.774 55.603 56.287 0.151 0.000 0.895 7 K CB 1.055 33.540 32.500 -0.026 0.000 1.060 7 K HN 0.426 nan 8.250 nan 0.000 0.448 8 N N 1.978 120.640 118.700 -0.063 0.000 2.419 8 N HA 0.025 4.766 4.740 0.001 0.000 0.264 8 N C 0.842 176.262 175.510 -0.151 0.000 1.031 8 N CA -0.070 52.682 53.050 -0.497 0.000 0.951 8 N CB 1.408 39.449 38.487 -0.745 0.000 1.101 8 N HN 0.272 nan 8.380 nan 0.000 0.488 9 V N 3.922 123.714 119.914 -0.203 0.000 2.453 9 V HA -0.237 3.884 4.120 0.001 0.000 0.252 9 V C 1.401 177.391 176.094 -0.174 0.000 1.068 9 V CA 1.591 63.798 62.300 -0.155 0.000 1.070 9 V CB -0.670 30.982 31.823 -0.285 0.000 0.664 9 V HN 0.728 nan 8.190 nan 0.000 0.461 10 W N -0.543 120.654 121.300 -0.172 0.000 2.468 10 W HA -0.069 4.592 4.660 0.001 0.000 0.262 10 W C 2.277 178.777 176.519 -0.031 0.000 1.241 10 W CA 1.105 58.374 57.345 -0.126 0.000 1.232 10 W CB -0.513 28.843 29.460 -0.173 0.000 1.124 10 W HN 0.391 nan 8.180 nan 0.000 0.597 11 H N -2.812 116.244 119.070 -0.024 0.000 2.575 11 H HA 0.094 4.651 4.556 0.002 0.000 0.267 11 H C 0.821 175.849 175.328 -0.501 0.000 0.966 11 H CA 0.583 56.470 56.048 -0.268 0.000 1.165 11 H CB 0.285 29.808 29.762 -0.398 0.000 1.433 11 H HN 0.229 nan 8.280 nan 0.000 0.544 12 H N -0.504 118.623 119.070 0.095 0.000 2.916 12 H HA 0.334 4.891 4.556 0.001 0.000 0.262 12 H C -0.152 175.180 175.328 0.006 0.000 1.178 12 H CA -0.027 56.043 56.048 0.037 0.000 1.090 12 H CB 1.050 30.822 29.762 0.017 0.000 1.657 12 H HN 0.062 nan 8.280 nan 0.000 0.601 13 R N 0.966 121.496 120.500 0.050 0.000 2.651 13 R HA 0.265 4.606 4.340 0.001 0.000 0.278 13 R C -0.578 175.674 176.300 -0.079 0.000 1.010 13 R CA -0.622 55.465 56.100 -0.022 0.000 0.896 13 R CB 1.942 32.191 30.300 -0.084 0.000 1.211 13 R HN -0.044 nan 8.270 nan 0.000 0.456 14 K N 2.805 123.146 120.400 -0.098 0.000 2.419 14 K HA -0.038 4.283 4.320 0.001 0.000 0.282 14 K C 0.859 177.380 176.600 -0.132 0.000 1.056 14 K CA -0.008 56.227 56.287 -0.087 0.000 1.035 14 K CB 0.623 33.083 32.500 -0.067 0.000 0.921 14 K HN 0.318 nan 8.250 nan 0.000 0.472 15 K N 3.440 123.825 120.400 -0.025 0.000 2.218 15 K HA -0.200 4.121 4.320 0.001 0.000 0.205 15 K C 1.006 177.601 176.600 -0.008 0.000 1.046 15 K CA 1.642 57.954 56.287 0.042 0.000 0.933 15 K CB 0.331 32.900 32.500 0.114 0.000 0.728 15 K HN 0.555 nan 8.250 nan 0.000 0.454 16 E N 0.234 120.414 120.200 -0.033 0.000 2.107 16 E HA -0.130 4.220 4.350 0.001 0.000 0.191 16 E C 1.926 178.488 176.600 -0.063 0.000 0.982 16 E CA 0.793 57.178 56.400 -0.024 0.000 0.809 16 E CB -0.225 29.470 29.700 -0.007 0.000 0.756 16 E HN 0.449 nan 8.360 nan 0.000 0.459 17 E N 1.020 121.128 120.200 -0.154 0.000 2.028 17 E HA -0.087 4.264 4.350 0.001 0.000 0.191 17 E C 2.358 178.722 176.600 -0.393 0.000 0.988 17 E CA 0.798 57.053 56.400 -0.241 0.000 0.799 17 E CB -0.176 29.298 29.700 -0.376 0.000 0.755 17 E HN 0.179 nan 8.360 nan 0.000 0.447 18 I N 1.089 121.268 120.570 -0.652 0.000 2.151 18 I HA -0.307 3.864 4.170 0.001 0.000 0.243 18 I C 2.609 178.670 176.117 -0.093 0.000 1.080 18 I CA 1.286 62.264 61.300 -0.538 0.000 1.339 18 I CB -0.278 37.382 38.000 -0.566 0.000 1.039 18 I HN 0.110 nan 8.210 nan 0.000 0.409 19 E N 1.312 121.495 120.200 -0.027 0.000 2.051 19 E HA -0.211 4.140 4.350 0.001 0.000 0.192 19 E C 2.107 178.753 176.600 0.078 0.000 0.991 19 E CA 1.842 58.282 56.400 0.066 0.000 0.799 19 E CB -0.217 29.524 29.700 0.067 0.000 0.748 19 E HN 0.430 nan 8.360 nan 0.000 0.449 20 A N -0.169 122.693 122.820 0.069 0.000 1.877 20 A HA -0.133 4.188 4.320 0.001 0.000 0.216 20 A C 2.215 179.882 177.584 0.138 0.000 1.186 20 A CA 1.407 53.498 52.037 0.091 0.000 0.620 20 A CB -1.035 18.018 19.000 0.089 0.000 0.822 20 A HN 0.459 nan 8.150 nan 0.000 0.443 21 F N 0.600 120.586 119.950 0.060 0.000 2.333 21 F HA -0.098 4.430 4.527 0.001 0.000 0.300 21 F C 2.551 178.440 175.800 0.148 0.000 1.083 21 F CA 1.422 59.494 58.000 0.119 0.000 1.395 21 F CB -0.120 39.020 39.000 0.233 0.000 1.056 21 F HN 0.217 nan 8.300 nan 0.000 0.529 22 S N -0.300 115.503 115.700 0.171 0.000 2.377 22 S HA -0.095 4.376 4.470 0.001 0.000 0.223 22 S C 2.125 176.754 174.600 0.048 0.000 1.030 22 S CA 0.659 58.944 58.200 0.142 0.000 0.970 22 S CB -0.143 63.158 63.200 0.169 0.000 0.830 22 S HN 0.269 nan 8.310 nan 0.000 0.473 23 K N 1.057 121.472 120.400 0.025 0.000 2.097 23 K HA -0.094 4.227 4.320 0.001 0.000 0.206 23 K C 1.904 178.465 176.600 -0.065 0.000 1.049 23 K CA 1.240 57.521 56.287 -0.011 0.000 0.933 23 K CB -0.248 32.256 32.500 0.008 0.000 0.717 23 K HN 0.540 nan 8.250 nan 0.000 0.442 24 E N -0.206 119.940 120.200 -0.091 0.000 2.072 24 E HA -0.145 4.206 4.350 0.001 0.000 0.190 24 E C 0.949 177.372 176.600 -0.294 0.000 0.982 24 E CA 0.479 56.801 56.400 -0.130 0.000 0.803 24 E CB -0.219 29.419 29.700 -0.104 0.000 0.755 24 E HN 0.177 nan 8.360 nan 0.000 0.453 31 K N 1.257 121.466 120.400 -0.318 0.000 2.424 31 K HA 0.470 4.790 4.320 0.001 0.000 0.198 31 K C 0.580 176.925 176.600 -0.426 0.000 1.190 31 K CA 0.736 56.811 56.287 -0.353 0.000 0.935 31 K CB 0.987 33.273 32.500 -0.357 0.000 1.087 31 K HN 0.379 nan 8.250 nan 0.000 0.524 32 A N 2.722 125.216 122.820 -0.544 0.000 2.774 32 A HA 0.221 4.542 4.320 0.001 0.000 0.326 32 A C 0.488 177.923 177.584 -0.248 0.000 1.478 32 A CA -0.258 51.495 52.037 -0.474 0.000 1.099 32 A CB 0.014 18.573 19.000 -0.736 0.000 1.148 32 A HN 0.090 nan 8.150 nan 0.000 0.519 33 K N 0.607 120.899 120.400 -0.180 0.000 2.373 33 K HA 0.108 4.429 4.320 0.001 0.000 0.200 33 K C 0.268 176.923 176.600 0.092 0.000 1.054 33 K CA 0.808 57.102 56.287 0.011 0.000 1.065 33 K CB 0.698 33.170 32.500 -0.047 0.000 0.886 33 K HN 0.740 nan 8.250 nan 0.000 0.546 34 T N -1.706 112.833 114.554 -0.024 0.000 2.864 34 T HA 0.111 4.462 4.350 0.001 0.000 0.299 34 T C 0.913 175.599 174.700 -0.022 0.000 1.166 34 T CA -0.854 61.253 62.100 0.011 0.000 1.007 34 T CB 2.212 71.075 68.868 -0.008 0.000 1.219 34 T HN 0.012 nan 8.240 nan 0.000 0.506 35 E N 1.427 121.625 120.200 -0.003 0.000 2.160 35 E HA -0.140 4.211 4.350 0.001 0.000 0.195 35 E C 0.605 177.185 176.600 -0.034 0.000 0.991 35 E CA 0.753 57.154 56.400 0.002 0.000 0.810 35 E CB -0.166 29.547 29.700 0.022 0.000 0.742 35 E HN 0.636 nan 8.360 nan 0.000 0.466 39 V N 2.755 122.581 119.914 -0.147 0.000 2.343 39 V HA -0.115 4.006 4.120 0.001 0.000 0.247 39 V C 2.564 178.552 176.094 -0.176 0.000 1.051 39 V CA 2.275 64.471 62.300 -0.174 0.000 1.036 39 V CB -0.465 31.286 31.823 -0.120 0.000 0.654 39 V HN 0.401 nan 8.190 nan 0.000 0.451 40 K N 0.015 120.330 120.400 -0.140 0.000 2.032 40 K HA -0.278 4.043 4.320 0.001 0.000 0.209 40 K C 2.204 178.723 176.600 -0.135 0.000 1.048 40 K CA 2.104 58.316 56.287 -0.124 0.000 0.927 40 K CB -0.096 32.341 32.500 -0.106 0.000 0.712 40 K HN 0.389 nan 8.250 nan 0.000 0.441 41 E N 1.203 121.314 120.200 -0.149 0.000 2.017 41 E HA -0.130 4.221 4.350 0.001 0.000 0.193 41 E C 1.952 178.527 176.600 -0.042 0.000 0.997 41 E CA 1.482 57.820 56.400 -0.103 0.000 0.804 41 E CB -0.318 29.261 29.700 -0.203 0.000 0.757 41 E HN 0.379 nan 8.360 nan 0.000 0.448 42 I N 0.631 121.163 120.570 -0.065 0.000 2.248 42 I HA -0.331 3.839 4.170 0.001 0.000 0.248 42 I C 2.545 178.477 176.117 -0.308 0.000 1.107 42 I CA 1.532 62.716 61.300 -0.194 0.000 1.373 42 I CB -0.345 37.376 38.000 -0.465 0.000 1.055 42 I HN 0.159 nan 8.210 nan 0.000 0.418 43 K N 1.652 121.860 120.400 -0.319 0.000 2.097 43 K HA -0.217 4.104 4.320 0.001 0.000 0.206 43 K C 2.313 178.749 176.600 -0.273 0.000 1.049 43 K CA 1.644 57.684 56.287 -0.412 0.000 0.933 43 K CB -0.044 32.264 32.500 -0.320 0.000 0.717 43 K HN 0.385 nan 8.250 nan 0.000 0.442 44 R N 0.182 120.594 120.500 -0.146 0.000 2.119 44 R HA -0.007 4.334 4.340 0.001 0.000 0.222 44 R C 2.147 178.418 176.300 -0.047 0.000 1.088 44 R CA 1.277 57.338 56.100 -0.066 0.000 0.984 44 R CB -0.607 29.673 30.300 -0.035 0.000 0.884 44 R HN 0.160 nan 8.270 nan 0.000 0.447 45 I N 1.455 121.984 120.570 -0.069 0.000 2.286 45 I HA -0.248 3.923 4.170 0.001 0.000 0.248 45 I C 2.251 178.323 176.117 -0.074 0.000 1.115 45 I CA 1.270 62.541 61.300 -0.049 0.000 1.392 45 I CB -0.230 37.735 38.000 -0.059 0.000 1.065 45 I HN 0.163 nan 8.210 nan 0.000 0.418 46 L N 0.022 121.131 121.223 -0.190 0.000 2.027 46 L HA -0.206 4.135 4.340 0.001 0.000 0.206 46 L C 2.240 179.196 176.870 0.142 0.000 1.074 46 L CA 1.238 55.937 54.840 -0.235 0.000 0.745 46 L CB -0.695 41.035 42.059 -0.549 0.000 0.898 46 L HN 0.241 nan 8.230 nan 0.000 0.433 47 D N 0.262 120.729 120.400 0.112 0.000 2.123 47 D HA -0.202 4.439 4.640 0.001 0.000 0.196 47 D C 2.009 178.417 176.300 0.181 0.000 0.992 47 D CA 1.307 55.436 54.000 0.214 0.000 0.833 47 D CB -0.084 40.804 40.800 0.146 0.000 0.954 47 D HN 0.427 nan 8.370 nan 0.000 0.455 48 E N 0.140 120.412 120.200 0.120 0.000 2.338 48 E HA -0.021 4.330 4.350 0.001 0.000 0.197 48 E C 1.280 177.963 176.600 0.138 0.000 1.007 48 E CA 0.371 56.835 56.400 0.107 0.000 0.849 48 E CB 0.117 29.859 29.700 0.071 0.000 0.774 48 E HN 0.045 nan 8.360 nan 0.000 0.506 49 S N -0.751 115.072 115.700 0.206 0.000 2.577 49 S HA 0.213 4.683 4.470 0.001 0.000 0.219 49 S C 1.150 175.925 174.600 0.291 0.000 0.962 49 S CA 0.428 58.784 58.200 0.261 0.000 0.921 49 S CB 1.048 64.443 63.200 0.325 0.000 0.789 49 S HN 0.483 nan 8.310 nan 0.000 0.497 50 G N 0.978 109.935 108.800 0.261 0.000 2.179 50 G HA2 -0.219 3.742 3.960 0.001 0.000 0.220 50 G HA3 -0.219 3.742 3.960 0.001 0.000 0.220 50 G C -0.038 174.948 174.900 0.143 0.000 0.990 50 G CA -0.625 44.563 45.100 0.147 0.000 0.646 50 G HN 0.397 nan 8.290 nan 0.000 0.517 51 F N 0.764 120.816 119.950 0.170 0.000 2.410 51 F HA 0.602 5.130 4.527 0.002 0.000 0.334 51 F C 0.998 176.908 175.800 0.183 0.000 1.134 51 F CA -0.076 58.055 58.000 0.218 0.000 1.227 51 F CB 1.476 40.718 39.000 0.403 0.000 1.194 51 F HN 0.429 nan 8.300 nan 0.000 0.571 52 V N -0.620 119.386 119.914 0.154 0.000 3.078 52 V HA 0.652 4.773 4.120 0.001 0.000 0.311 52 V C -3.021 172.779 176.094 -0.490 0.000 1.138 52 V CA -3.193 59.061 62.300 -0.075 0.000 1.007 52 V CB 1.924 33.782 31.823 0.059 0.000 1.045 52 V HN 0.426 nan 8.190 nan 0.000 0.432 53 P HA 0.149 nan 4.420 nan 0.000 0.267 53 P C 0.663 177.879 177.300 -0.141 0.000 1.209 53 P CA -0.029 62.783 63.100 -0.479 0.000 0.763 53 P CB 0.723 32.319 31.700 -0.174 0.000 0.816 54 L N 5.027 126.205 121.223 -0.075 0.000 2.081 54 L HA -0.211 4.130 4.340 0.001 0.000 0.212 54 L C 1.965 178.882 176.870 0.079 0.000 1.080 54 L CA 1.918 56.779 54.840 0.036 0.000 0.754 54 L CB -1.152 40.951 42.059 0.074 0.000 0.893 54 L HN 0.448 nan 8.230 nan 0.000 0.433 55 E N -0.377 119.861 120.200 0.064 0.000 2.171 55 E HA -0.231 4.120 4.350 0.001 0.000 0.197 55 E C -0.019 176.620 176.600 0.065 0.000 0.997 55 E CA 1.413 57.855 56.400 0.069 0.000 0.810 55 E CB -0.080 29.661 29.700 0.067 0.000 0.738 55 E HN 0.827 nan 8.360 nan 0.000 0.467 56 D N -1.028 119.411 120.400 0.065 0.000 2.952 56 D HA 0.065 4.705 4.640 0.001 0.000 0.373 56 D C -0.662 175.682 176.300 0.075 0.000 1.360 56 D CA -0.558 53.474 54.000 0.054 0.000 0.788 56 D CB -0.787 40.030 40.800 0.028 0.000 1.192 56 D HN 0.017 nan 8.370 nan 0.000 0.462 57 F N 1.241 121.174 119.950 -0.029 0.000 2.371 57 F HA 0.637 5.164 4.527 0.001 0.000 0.329 57 F C 0.758 176.545 175.800 -0.022 0.000 1.107 57 F CA -0.433 57.549 58.000 -0.031 0.000 1.137 57 F CB 1.806 40.788 39.000 -0.031 0.000 1.214 57 F HN 0.100 nan 8.300 nan 0.000 0.536 58 A N 3.523 125.666 122.820 -1.128 0.000 1.937 58 A HA 0.412 4.732 4.320 0.001 0.000 0.198 58 A C 1.303 178.339 177.584 -0.914 0.000 1.635 58 A CA 0.472 52.047 52.037 -0.769 0.000 1.111 58 A CB -1.126 17.645 19.000 -0.382 0.000 1.165 58 A HN 0.980 nan 8.150 nan 0.000 0.460 59 G N 0.331 108.390 108.800 -1.235 0.000 2.332 59 G HA2 0.199 4.160 3.960 0.001 0.000 0.311 59 G HA3 0.199 4.160 3.960 0.001 0.000 0.311 59 G C -0.170 174.621 174.900 -0.181 0.000 1.392 59 G CA 0.579 45.357 45.100 -0.536 0.000 1.110 59 G HN 0.370 nan 8.290 nan 0.000 0.594 60 D N 0.702 121.169 120.400 0.110 0.000 2.371 60 D HA 0.282 4.922 4.640 0.001 0.000 0.256 60 D C -1.313 175.177 176.300 0.316 0.000 1.193 60 D CA -1.318 52.779 54.000 0.161 0.000 0.881 60 D CB 0.838 41.694 40.800 0.093 0.000 1.143 60 D HN 0.094 nan 8.370 nan 0.000 0.473 66 V N 0.649 120.597 119.914 0.057 0.000 3.240 66 V HA 1.096 5.217 4.120 0.001 0.000 0.306 66 V C -0.932 175.438 176.094 0.459 0.000 1.227 66 V CA -1.453 60.940 62.300 0.155 0.000 1.047 66 V CB 1.544 33.343 31.823 -0.040 0.000 1.203 66 V HN 1.384 nan 8.190 nan 0.000 0.471 67 Y N -1.883 118.604 120.300 0.312 0.000 2.604 67 Y HA 0.912 5.463 4.550 0.001 0.000 0.331 67 Y C -0.881 175.159 175.900 0.232 0.000 1.158 67 Y CA -1.163 57.085 58.100 0.247 0.000 1.056 67 Y CB 0.963 39.505 38.460 0.136 0.000 1.330 67 Y HN 1.248 nan 8.280 nan 0.000 0.457 68 A N 2.299 125.443 122.820 0.540 0.000 2.385 68 A HA 0.726 5.047 4.320 0.001 0.000 0.290 68 A C -1.571 176.312 177.584 0.498 0.000 1.094 68 A CA -0.794 51.534 52.037 0.484 0.000 0.729 68 A CB 0.890 20.172 19.000 0.469 0.000 1.194 68 A HN 0.763 nan 8.150 nan 0.000 0.442 69 V N 2.907 123.028 119.914 0.344 0.000 2.649 69 V HA 0.160 4.281 4.120 0.001 0.000 0.292 69 V C 1.362 177.444 176.094 -0.021 0.000 1.055 69 V CA 0.196 62.581 62.300 0.142 0.000 1.023 69 V CB 1.226 33.105 31.823 0.093 0.000 0.992 69 V HN 1.120 nan 8.190 nan 0.000 0.480 70 N N 3.177 121.691 118.700 -0.310 0.000 2.288 70 N HA 0.140 4.880 4.740 0.001 0.000 0.199 70 N C 0.850 176.217 175.510 -0.238 0.000 1.043 70 N CA 0.137 52.844 53.050 -0.572 0.000 0.947 70 N CB 0.282 38.181 38.487 -0.981 0.000 1.140 70 N HN 0.571 nan 8.380 nan 0.000 0.490 71 R N -0.817 119.572 120.500 -0.186 0.000 2.772 71 R HA 0.228 4.568 4.340 0.001 0.000 0.358 71 R C -0.191 176.074 176.300 -0.058 0.000 1.143 71 R CA 0.297 56.341 56.100 -0.092 0.000 1.153 71 R CB 1.224 31.474 30.300 -0.082 0.000 1.329 71 R HN 0.608 nan 8.270 nan 0.000 0.615 72 G N 1.258 110.024 108.800 -0.056 0.000 2.189 72 G HA2 -0.362 3.599 3.960 0.001 0.000 0.267 72 G HA3 -0.362 3.599 3.960 0.001 0.000 0.267 72 G C 0.790 175.661 174.900 -0.049 0.000 0.975 72 G CA 0.762 45.839 45.100 -0.038 0.000 0.644 72 G HN 0.407 nan 8.290 nan 0.000 0.537 73 K N -0.553 119.809 120.400 -0.063 0.000 2.412 73 K HA 0.611 4.932 4.320 0.001 0.000 0.202 73 K C 0.720 177.302 176.600 -0.030 0.000 1.102 73 K CA 0.685 56.946 56.287 -0.042 0.000 1.027 73 K CB 1.236 33.718 32.500 -0.031 0.000 0.931 73 K HN 0.713 nan 8.250 nan 0.000 0.557 74 A N 1.329 124.099 122.820 -0.084 0.000 2.556 74 A HA 0.768 5.088 4.320 0.001 0.000 0.294 74 A C -1.756 175.802 177.584 -0.044 0.000 1.091 74 A CA -0.625 51.378 52.037 -0.056 0.000 0.704 74 A CB 1.572 20.514 19.000 -0.097 0.000 1.300 74 A HN 0.165 nan 8.150 nan 0.000 0.406 75 I N 0.529 121.166 120.570 0.111 0.000 2.685 75 I HA 0.611 4.782 4.170 0.001 0.000 0.289 75 I C -0.567 175.725 176.117 0.292 0.000 1.292 75 I CA -0.431 60.988 61.300 0.198 0.000 1.050 75 I CB 1.672 39.661 38.000 -0.019 0.000 1.301 75 I HN 0.981 nan 8.210 nan 0.000 0.425 76 A N 6.004 129.008 122.820 0.306 0.000 2.304 76 A HA 0.921 5.242 4.320 0.001 0.000 0.323 76 A C -0.700 176.822 177.584 -0.103 0.000 1.195 76 A CA -0.267 51.740 52.037 -0.050 0.000 0.826 76 A CB 1.262 20.172 19.000 -0.151 0.000 1.184 76 A HN 0.923 nan 8.150 nan 0.000 0.496 77 A N 2.425 125.045 122.820 -0.332 0.000 2.332 77 A HA 0.790 5.111 4.320 0.001 0.000 0.300 77 A C -0.989 176.440 177.584 -0.258 0.000 1.153 77 A CA -0.361 51.611 52.037 -0.107 0.000 0.764 77 A CB 0.347 19.314 19.000 -0.055 0.000 1.174 77 A HN 0.665 nan 8.150 nan 0.000 0.467 78 F N 0.494 120.592 119.950 0.246 0.000 2.575 78 F HA 0.718 5.246 4.527 0.001 0.000 0.330 78 F C 0.839 176.745 175.800 0.177 0.000 1.056 78 F CA -0.719 57.379 58.000 0.163 0.000 0.964 78 F CB 2.106 41.143 39.000 0.061 0.000 1.258 78 F HN 0.480 nan 8.300 nan 0.000 0.484 79 R N 1.015 121.691 120.500 0.293 0.000 2.639 79 R HA 0.384 4.725 4.340 0.001 0.000 0.273 79 R C -1.734 174.599 176.300 0.055 0.000 1.732 79 R CA -0.412 55.753 56.100 0.108 0.000 1.586 79 R CB 1.370 31.727 30.300 0.095 0.000 1.263 79 R HN 0.390 nan 8.270 nan 0.000 0.615 80 V N 2.926 122.838 119.914 -0.003 0.000 2.425 80 V HA -0.006 4.115 4.120 0.001 0.000 0.276 80 V C 1.053 177.120 176.094 -0.046 0.000 1.017 80 V CA 0.331 62.602 62.300 -0.047 0.000 1.062 80 V CB 1.099 32.845 31.823 -0.128 0.000 0.997 80 V HN 0.458 nan 8.190 nan 0.000 0.476 81 V N 3.239 123.140 119.914 -0.023 0.000 3.528 81 V HA 0.310 4.431 4.120 0.001 0.000 0.294 81 V C 0.281 176.365 176.094 -0.017 0.000 1.404 81 V CA 0.488 62.778 62.300 -0.018 0.000 1.065 81 V CB -0.019 31.800 31.823 -0.006 0.000 0.904 81 V HN 0.986 nan 8.190 nan 0.000 0.435 82 D N -0.487 119.899 120.400 -0.024 0.000 2.779 82 D HA 0.115 4.756 4.640 0.001 0.000 0.331 82 D C -1.713 174.566 176.300 -0.035 0.000 1.331 82 D CA -0.335 53.652 54.000 -0.023 0.000 0.866 82 D CB 1.879 42.668 40.800 -0.017 0.000 1.409 82 D HN 0.178 nan 8.370 nan 0.000 0.486 83 D N 1.156 121.536 120.400 -0.033 0.000 2.308 83 D HA 0.078 4.719 4.640 0.001 0.000 0.251 83 D C 1.487 177.755 176.300 -0.054 0.000 1.127 83 D CA -0.304 53.670 54.000 -0.044 0.000 0.876 83 D CB 1.076 41.855 40.800 -0.036 0.000 1.176 83 D HN 0.425 nan 8.370 nan 0.000 0.446 84 L N 1.838 123.016 121.223 -0.075 0.000 2.450 84 L HA -0.201 4.140 4.340 0.001 0.000 0.225 84 L C 2.302 179.127 176.870 -0.075 0.000 1.145 84 L CA 0.951 55.740 54.840 -0.084 0.000 0.801 84 L CB -0.474 41.510 42.059 -0.124 0.000 0.924 84 L HN 0.432 nan 8.230 nan 0.000 0.447 85 K N 0.324 120.682 120.400 -0.071 0.000 2.209 85 K HA -0.129 4.192 4.320 0.001 0.000 0.204 85 K C 1.863 178.427 176.600 -0.060 0.000 1.048 85 K CA 0.993 57.235 56.287 -0.076 0.000 0.940 85 K CB -0.064 32.394 32.500 -0.071 0.000 0.729 85 K HN 0.393 nan 8.250 nan 0.000 0.451 86 R N 0.727 121.201 120.500 -0.044 0.000 2.323 86 R HA 0.056 4.397 4.340 0.001 0.000 0.198 86 R C 0.766 177.052 176.300 -0.023 0.000 0.988 86 R CA 0.338 56.420 56.100 -0.030 0.000 1.041 86 R CB -0.148 30.139 30.300 -0.022 0.000 0.926 86 R HN 0.231 nan 8.270 nan 0.000 0.476 87 G N 1.683 110.465 108.800 -0.030 0.000 2.888 87 G HA2 -0.248 3.712 3.960 0.001 0.000 0.441 87 G HA3 -0.248 3.712 3.960 0.001 0.000 0.441 87 G C -0.411 174.492 174.900 0.006 0.000 1.461 87 G CA -0.211 44.881 45.100 -0.014 0.000 0.897 87 G HN 0.292 nan 8.290 nan 0.000 0.547 88 L N -2.736 118.507 121.223 0.033 0.000 2.403 88 L HA 0.846 5.187 4.340 0.001 0.000 0.253 88 L C -0.680 176.228 176.870 0.063 0.000 1.045 88 L CA -1.520 53.352 54.840 0.053 0.000 0.845 88 L CB 2.160 44.270 42.059 0.084 0.000 1.447 88 L HN 0.489 nan 8.230 nan 0.000 0.411 89 N N 1.831 120.564 118.700 0.055 0.000 2.444 89 N HA 0.692 5.433 4.740 0.001 0.000 0.262 89 N C -1.173 174.348 175.510 0.017 0.000 0.974 89 N CA -0.161 52.911 53.050 0.037 0.000 0.933 89 N CB 1.932 40.431 38.487 0.020 0.000 1.137 89 N HN 0.529 nan 8.380 nan 0.000 0.498 90 L N 0.784 122.002 121.223 -0.008 0.000 2.341 90 L HA 0.674 5.014 4.340 0.001 0.000 0.267 90 L C -0.245 176.506 176.870 -0.198 0.000 1.009 90 L CA -1.209 53.584 54.840 -0.078 0.000 0.819 90 L CB 2.334 44.379 42.059 -0.023 0.000 1.323 90 L HN 0.081 nan 8.230 nan 0.000 0.425 91 V N 3.306 123.033 119.914 -0.312 0.000 2.525 91 V HA 0.658 4.779 4.120 0.001 0.000 0.299 91 V C -0.809 174.989 176.094 -0.493 0.000 1.034 91 V CA -0.478 61.548 62.300 -0.456 0.000 0.863 91 V CB 2.047 33.472 31.823 -0.663 0.000 0.999 91 V HN 0.500 nan 8.190 nan 0.000 0.423 92 V N 4.593 124.224 119.914 -0.471 0.000 2.555 92 V HA 1.079 5.200 4.120 0.001 0.000 0.302 92 V C 0.027 175.980 176.094 -0.235 0.000 1.038 92 V CA 0.129 62.199 62.300 -0.385 0.000 0.887 92 V CB 1.009 32.582 31.823 -0.417 0.000 0.991 92 V HN 1.570 nan 8.190 nan 0.000 0.434 93 A N 3.361 126.091 122.820 -0.150 0.000 2.530 93 A HA 0.980 5.301 4.320 0.001 0.000 0.288 93 A C -0.861 176.869 177.584 0.242 0.000 1.172 93 A CA -0.507 51.538 52.037 0.014 0.000 0.733 93 A CB 1.690 20.651 19.000 -0.065 0.000 1.320 93 A HN 1.719 nan 8.150 nan 0.000 0.419 94 H N -1.890 117.316 119.070 0.226 0.000 2.524 94 H HA 0.689 5.246 4.556 0.001 0.000 0.353 94 H C -0.225 175.259 175.328 0.261 0.000 1.136 94 H CA -0.581 55.639 56.048 0.286 0.000 1.193 94 H CB 0.864 30.790 29.762 0.273 0.000 1.558 94 H HN 0.555 nan 8.280 nan 0.000 0.515 95 I N -1.013 119.762 120.570 0.342 0.000 3.941 95 I HA 0.242 4.412 4.170 0.001 0.000 0.335 95 I C -0.671 175.583 176.117 0.230 0.000 1.402 95 I CA -0.579 60.858 61.300 0.228 0.000 1.112 95 I CB -0.033 38.082 38.000 0.191 0.000 1.043 95 I HN 0.456 nan 8.210 nan 0.000 0.395 96 D N 0.987 121.610 120.400 0.371 0.000 2.217 96 D HA 0.519 5.159 4.640 0.001 0.000 0.248 96 D C -0.534 176.007 176.300 0.403 0.000 1.008 96 D CA -0.420 53.775 54.000 0.324 0.000 0.914 96 D CB 2.034 43.034 40.800 0.335 0.000 1.182 96 D HN 0.029 nan 8.370 nan 0.000 0.451 97 S N 0.403 116.304 115.700 0.335 0.000 2.595 97 S HA 0.582 5.053 4.470 0.001 0.000 0.281 97 S C -2.730 172.107 174.600 0.395 0.000 1.117 97 S CA -1.194 57.185 58.200 0.299 0.000 0.873 97 S CB 1.906 65.155 63.200 0.082 0.000 1.108 97 S HN 0.357 nan 8.310 nan 0.000 0.477 98 P HA 0.197 nan 4.420 nan 0.000 0.265 98 P C -0.316 177.277 177.300 0.489 0.000 1.187 98 P CA 0.178 63.435 63.100 0.261 0.000 0.766 98 P CB 0.329 32.017 31.700 -0.020 0.000 0.820 99 R N 1.652 122.356 120.500 0.340 0.000 2.907 99 R HA 0.637 4.978 4.340 0.001 0.000 0.266 99 R C -1.558 174.636 176.300 -0.176 0.000 1.031 99 R CA -1.031 55.149 56.100 0.133 0.000 0.904 99 R CB 0.738 31.182 30.300 0.241 0.000 1.358 99 R HN 0.147 nan 8.270 nan 0.000 0.438 100 L N 0.971 122.059 121.223 -0.226 0.000 2.346 100 L HA 0.535 4.876 4.340 0.001 0.000 0.276 100 L C -1.159 175.720 176.870 0.015 0.000 1.006 100 L CA -1.124 53.629 54.840 -0.145 0.000 0.817 100 L CB 1.970 43.908 42.059 -0.201 0.000 1.272 100 L HN 0.529 nan 8.230 nan 0.000 0.421 101 D N 1.488 121.932 120.400 0.074 0.000 2.248 101 D HA 0.428 5.069 4.640 0.001 0.000 0.246 101 D C -0.518 175.907 176.300 0.208 0.000 1.027 101 D CA -0.235 53.819 54.000 0.090 0.000 0.853 101 D CB 1.815 42.636 40.800 0.035 0.000 1.243 101 D HN 0.006 nan 8.370 nan 0.000 0.462 102 F N 1.430 121.308 119.950 -0.121 0.000 2.471 102 F HA 0.174 4.702 4.527 0.001 0.000 0.353 102 F C 1.540 177.280 175.800 -0.100 0.000 1.113 102 F CA -0.194 57.707 58.000 -0.164 0.000 1.262 102 F CB 0.490 39.325 39.000 -0.274 0.000 1.146 102 F HN -0.073 nan 8.300 nan 0.000 0.578 103 K N 4.562 124.974 120.400 0.020 0.000 2.132 103 K HA 0.123 4.444 4.320 0.001 0.000 0.240 103 K C -1.561 175.054 176.600 0.024 0.000 1.036 103 K CA -1.208 55.093 56.287 0.023 0.000 0.888 103 K CB 0.039 32.538 32.500 -0.002 0.000 1.071 103 K HN 0.244 nan 8.250 nan 0.000 0.502 104 P HA -0.137 nan 4.420 nan 0.000 0.215 104 P C -0.386 176.952 177.300 0.064 0.000 1.157 104 P CA 1.389 64.523 63.100 0.057 0.000 0.868 104 P CB 0.238 31.961 31.700 0.039 0.000 0.788 105 N N -0.672 118.039 118.700 0.017 0.000 2.707 105 N HA 0.138 4.879 4.740 0.001 0.000 0.235 105 N C -1.851 173.605 175.510 -0.090 0.000 1.028 105 N CA -1.315 51.733 53.050 -0.004 0.000 0.906 105 N CB 0.987 39.481 38.487 0.013 0.000 1.131 105 N HN 0.247 nan 8.380 nan 0.000 0.509 106 P HA 0.036 nan 4.420 nan 0.000 0.228 106 P C 0.441 177.604 177.300 -0.228 0.000 1.166 106 P CA 0.231 63.124 63.100 -0.344 0.000 0.812 106 P CB 1.373 32.657 31.700 -0.694 0.000 0.857 107 L N 2.152 123.265 121.223 -0.185 0.000 2.313 107 L HA 0.354 4.695 4.340 0.001 0.000 0.282 107 L C 0.433 177.271 176.870 -0.054 0.000 1.092 107 L CA -0.440 54.369 54.840 -0.051 0.000 0.831 107 L CB 0.170 42.242 42.059 0.021 0.000 1.159 107 L HN -0.032 nan 8.230 nan 0.000 0.442 108 I N 1.182 121.705 120.570 -0.078 0.000 3.191 108 I HA 0.593 4.764 4.170 0.001 0.000 0.313 108 I C -1.406 174.665 176.117 -0.076 0.000 1.193 108 I CA -0.853 60.410 61.300 -0.061 0.000 0.968 108 I CB 2.509 40.476 38.000 -0.056 0.000 1.262 108 I HN 0.521 nan 8.210 nan 0.000 0.456 109 E N 1.553 121.721 120.200 -0.054 0.000 2.293 109 E HA 0.406 4.756 4.350 0.001 0.000 0.270 109 E C -2.015 174.561 176.600 -0.040 0.000 0.879 109 E CA -0.578 55.790 56.400 -0.054 0.000 0.756 109 E CB 1.949 31.625 29.700 -0.040 0.000 1.208 109 E HN 0.739 nan 8.360 nan 0.000 0.428 110 D N 3.419 123.795 120.400 -0.040 0.000 2.891 110 D HA 0.071 4.712 4.640 0.001 0.000 0.224 110 D C -0.901 175.384 176.300 -0.025 0.000 1.321 110 D CA -0.170 53.813 54.000 -0.029 0.000 0.929 110 D CB 1.008 41.791 40.800 -0.028 0.000 1.551 110 D HN 0.580 nan 8.370 nan 0.000 0.574 111 E N 2.619 122.807 120.200 -0.019 0.000 2.513 111 E HA -0.229 4.121 4.350 0.001 0.000 0.257 111 E C -0.084 176.505 176.600 -0.019 0.000 1.098 111 E CA 0.834 57.225 56.400 -0.016 0.000 0.752 111 E CB -1.217 28.475 29.700 -0.014 0.000 1.324 111 E HN 0.699 nan 8.360 nan 0.000 0.403 112 Q N -2.286 117.501 119.800 -0.021 0.000 2.502 112 Q HA -0.160 4.180 4.340 0.001 0.000 0.273 112 Q C -0.308 175.673 176.000 -0.031 0.000 1.127 112 Q CA 1.363 57.152 55.803 -0.023 0.000 0.952 112 Q CB -1.227 27.501 28.738 -0.018 0.000 1.333 112 Q HN 0.626 nan 8.270 nan 0.000 0.494 113 I N -0.044 120.503 120.570 -0.039 0.000 2.468 113 I HA 0.601 4.771 4.170 0.001 0.000 0.285 113 I C 0.154 176.223 176.117 -0.081 0.000 1.039 113 I CA -1.032 60.236 61.300 -0.053 0.000 1.074 113 I CB 1.721 39.695 38.000 -0.044 0.000 1.228 113 I HN 0.184 nan 8.210 nan 0.000 0.436 114 A N 8.018 130.773 122.820 -0.108 0.000 2.450 114 A HA 0.667 4.988 4.320 0.001 0.000 0.255 114 A C -0.572 176.864 177.584 -0.246 0.000 1.096 114 A CA 0.249 52.183 52.037 -0.173 0.000 0.778 114 A CB 0.220 19.103 19.000 -0.195 0.000 1.031 114 A HN 0.689 nan 8.150 nan 0.000 0.494 115 L N 1.453 122.514 121.223 -0.270 0.000 2.371 115 L HA 0.538 4.879 4.340 0.001 0.000 0.262 115 L C -0.936 175.745 176.870 -0.314 0.000 1.006 115 L CA -0.310 54.370 54.840 -0.267 0.000 0.818 115 L CB 2.251 44.229 42.059 -0.136 0.000 1.354 115 L HN 0.720 nan 8.230 nan 0.000 0.415 116 F N 1.664 121.436 119.950 -0.298 0.000 2.347 116 F HA 0.378 4.905 4.527 0.001 0.000 0.366 116 F C 0.340 175.824 175.800 -0.526 0.000 1.107 116 F CA -0.931 56.716 58.000 -0.587 0.000 1.058 116 F CB 1.434 39.908 39.000 -0.875 0.000 1.236 116 F HN 0.294 nan 8.300 nan 0.000 0.456 117 K N 2.455 122.708 120.400 -0.245 0.000 2.350 117 K HA 0.263 4.584 4.320 0.001 0.000 0.279 117 K C 0.391 176.857 176.600 -0.223 0.000 1.027 117 K CA -0.115 56.061 56.287 -0.185 0.000 0.969 117 K CB 1.276 33.703 32.500 -0.122 0.000 0.954 117 K HN 0.632 nan 8.250 nan 0.000 0.474 118 T N -1.130 113.361 114.554 -0.106 0.000 2.807 118 T HA 0.301 4.652 4.350 0.001 0.000 0.277 118 T C -0.829 173.902 174.700 0.051 0.000 1.006 118 T CA -0.725 61.364 62.100 -0.020 0.000 1.006 118 T CB 1.554 70.429 68.868 0.012 0.000 1.274 118 T HN 0.603 nan 8.240 nan 0.000 0.569 119 H N 1.039 120.106 119.070 -0.004 0.000 3.275 119 H HA 0.238 4.795 4.556 0.002 0.000 0.326 119 H C -1.205 174.106 175.328 -0.028 0.000 1.096 119 H CA -1.012 55.019 56.048 -0.028 0.000 1.579 119 H CB 0.207 29.934 29.762 -0.057 0.000 1.834 119 H HN 0.808 nan 8.280 nan 0.000 0.510 120 Y N 3.464 123.783 120.300 0.032 0.000 2.788 120 Y HA 0.190 4.741 4.550 0.001 0.000 0.341 120 Y C -1.185 174.798 175.900 0.139 0.000 1.258 120 Y CA -0.310 57.773 58.100 -0.028 0.000 1.503 120 Y CB 0.192 38.547 38.460 -0.174 0.000 1.325 120 Y HN 0.504 nan 8.280 nan 0.000 0.614 121 Y N 3.729 124.067 120.300 0.063 0.000 2.350 121 Y HA 0.581 5.133 4.550 0.002 0.000 0.338 121 Y C 0.300 176.247 175.900 0.078 0.000 0.961 121 Y CA -0.269 57.838 58.100 0.013 0.000 1.100 121 Y CB 1.121 39.581 38.460 -0.000 0.000 1.179 121 Y HN 1.292 nan 8.280 nan 0.000 0.454 122 G N 2.961 111.462 108.800 -0.499 0.000 2.782 122 G HA2 -0.085 3.876 3.960 0.001 0.000 0.228 122 G HA3 -0.085 3.876 3.960 0.001 0.000 0.228 122 G C 0.092 174.989 174.900 -0.006 0.000 1.372 122 G CA -0.493 44.395 45.100 -0.354 0.000 0.862 122 G HN 1.498 nan 8.290 nan 0.000 0.547 123 G N 0.267 109.072 108.800 0.009 0.000 2.985 123 G HA2 0.616 4.577 3.960 0.001 0.000 0.282 123 G HA3 0.616 4.577 3.960 0.001 0.000 0.282 123 G C 0.687 175.699 174.900 0.186 0.000 0.791 123 G CA 0.407 45.608 45.100 0.170 0.000 1.934 123 G HN 1.464 nan 8.290 nan 0.000 0.563 124 I N -2.453 118.165 120.570 0.081 0.000 2.797 124 I HA 0.599 4.770 4.170 0.001 0.000 0.310 124 I C -0.152 175.945 176.117 -0.033 0.000 0.990 124 I CA -1.207 60.155 61.300 0.104 0.000 1.228 124 I CB 1.624 39.635 38.000 0.017 0.000 1.406 124 I HN -0.118 nan 8.210 nan 0.000 0.534 125 K N 3.348 123.704 120.400 -0.073 0.000 2.299 125 K HA 0.260 4.581 4.320 0.001 0.000 0.268 125 K C 0.373 176.679 176.600 -0.490 0.000 1.075 125 K CA -0.464 55.539 56.287 -0.473 0.000 0.936 125 K CB 1.384 33.192 32.500 -1.154 0.000 1.228 125 K HN 0.587 nan 8.250 nan 0.000 0.454 126 K N 1.016 121.210 120.400 -0.343 0.000 2.107 126 K HA -0.258 4.062 4.320 0.001 0.000 0.211 126 K C 1.666 178.099 176.600 -0.279 0.000 1.049 126 K CA 2.137 58.269 56.287 -0.259 0.000 0.927 126 K CB -0.224 32.159 32.500 -0.195 0.000 0.714 126 K HN 0.614 nan 8.250 nan 0.000 0.452 127 Y N -1.556 118.390 120.300 -0.590 0.000 2.569 127 Y HA -0.111 4.440 4.550 0.002 0.000 0.293 127 Y C 1.688 177.459 175.900 -0.215 0.000 1.144 127 Y CA 0.795 58.393 58.100 -0.837 0.000 1.321 127 Y CB -0.674 37.080 38.460 -1.178 0.000 0.982 127 Y HN 0.109 nan 8.280 nan 0.000 0.558 128 H N -0.867 118.011 119.070 -0.321 0.000 2.428 128 H HA -0.081 4.476 4.556 0.002 0.000 0.296 128 H C 0.576 175.800 175.328 -0.173 0.000 1.062 128 H CA 0.974 56.894 56.048 -0.214 0.000 1.350 128 H CB -0.545 29.052 29.762 -0.276 0.000 1.403 128 H HN 0.574 nan 8.280 nan 0.000 0.533 129 W N 0.758 122.062 121.300 0.007 0.000 3.256 129 W HA 0.222 4.882 4.660 0.000 0.000 0.269 129 W C 0.154 176.677 176.519 0.006 0.000 1.310 129 W CA -0.166 57.183 57.345 0.007 0.000 1.673 129 W CB -0.343 29.113 29.460 -0.007 0.000 1.115 129 W HN -0.095 nan 8.180 nan 0.000 0.686 130 L N 0.914 122.233 121.223 0.161 0.000 2.326 130 L HA 0.250 4.591 4.340 0.001 0.000 0.278 130 L C 1.136 178.066 176.870 0.099 0.000 1.092 130 L CA -0.473 54.442 54.840 0.125 0.000 0.810 130 L CB 0.874 42.997 42.059 0.107 0.000 1.153 130 L HN -0.126 nan 8.230 nan 0.000 0.439 131 S N 2.785 118.540 115.700 0.091 0.000 3.706 131 S HA -0.151 4.320 4.470 0.001 0.000 0.363 131 S C -0.365 174.264 174.600 0.047 0.000 0.999 131 S CA 0.935 59.176 58.200 0.069 0.000 1.143 131 S CB -1.654 61.592 63.200 0.076 0.000 0.902 131 S HN 0.648 nan 8.310 nan 0.000 0.476 132 I N -2.761 117.823 120.570 0.023 0.000 2.894 132 I HA 0.757 4.928 4.170 0.001 0.000 0.302 132 I C -2.817 173.249 176.117 -0.084 0.000 1.188 132 I CA -2.888 58.397 61.300 -0.026 0.000 1.014 132 I CB 2.423 40.388 38.000 -0.059 0.000 1.242 132 I HN -0.197 nan 8.210 nan 0.000 0.430 133 P HA 0.284 nan 4.420 nan 0.000 0.276 133 P C -1.269 175.894 177.300 -0.228 0.000 1.235 133 P CA -0.036 62.975 63.100 -0.148 0.000 0.772 133 P CB 1.300 32.916 31.700 -0.139 0.000 0.871 134 L N 2.817 124.002 121.223 -0.062 0.000 2.323 134 L HA 0.553 4.894 4.340 0.001 0.000 0.265 134 L C 0.706 177.644 176.870 0.113 0.000 1.012 134 L CA -0.659 54.178 54.840 -0.006 0.000 0.820 134 L CB 1.475 43.614 42.059 0.134 0.000 1.334 134 L HN 0.528 nan 8.230 nan 0.000 0.427 135 E N 1.382 121.632 120.200 0.084 0.000 2.340 135 E HA 0.680 5.031 4.350 0.001 0.000 0.273 135 E C -1.232 175.347 176.600 -0.035 0.000 0.891 135 E CA -0.810 55.650 56.400 0.100 0.000 0.757 135 E CB 2.649 32.363 29.700 0.023 0.000 1.231 135 E HN 0.498 nan 8.360 nan 0.000 0.439 136 I N -0.631 119.829 120.570 -0.183 0.000 2.493 136 I HA 0.590 4.761 4.170 0.001 0.000 0.298 136 I C -0.816 174.963 176.117 -0.563 0.000 0.998 136 I CA -0.884 60.198 61.300 -0.363 0.000 1.137 136 I CB 1.631 39.319 38.000 -0.519 0.000 1.310 136 I HN 0.470 nan 8.210 nan 0.000 0.445 137 H N 3.646 122.605 119.070 -0.184 0.000 2.856 137 H HA 0.782 5.339 4.556 0.001 0.000 0.355 137 H C -0.135 175.042 175.328 -0.252 0.000 1.079 137 H CA -0.405 55.565 56.048 -0.130 0.000 1.240 137 H CB 2.222 32.018 29.762 0.057 0.000 1.701 137 H HN 1.096 nan 8.280 nan 0.000 0.527 138 G N 0.575 109.234 108.800 -0.235 0.000 2.335 138 G HA2 0.397 4.358 3.960 0.001 0.000 0.291 138 G HA3 0.397 4.358 3.960 0.001 0.000 0.291 138 G C -1.453 173.247 174.900 -0.333 0.000 1.261 138 G CA 0.005 44.951 45.100 -0.256 0.000 0.871 138 G HN 0.671 nan 8.290 nan 0.000 0.491 139 V N -1.920 117.811 119.914 -0.304 0.000 2.888 139 V HA 0.916 5.037 4.120 0.001 0.000 0.309 139 V C -0.878 174.961 176.094 -0.424 0.000 1.114 139 V CA -0.944 61.118 62.300 -0.397 0.000 0.940 139 V CB 1.466 33.069 31.823 -0.366 0.000 1.021 139 V HN 0.906 nan 8.190 nan 0.000 0.426 140 L N 3.575 124.456 121.223 -0.570 0.000 2.354 140 L HA 0.730 5.071 4.340 0.001 0.000 0.264 140 L C -1.322 175.176 176.870 -0.620 0.000 1.008 140 L CA -0.393 54.179 54.840 -0.445 0.000 0.819 140 L CB 2.497 44.295 42.059 -0.435 0.000 1.339 140 L HN 0.648 nan 8.230 nan 0.000 0.420 141 F N 0.696 120.566 119.950 -0.133 0.000 2.507 141 F HA 0.469 4.997 4.527 0.001 0.000 0.325 141 F C 0.346 176.092 175.800 -0.091 0.000 1.116 141 F CA -0.818 57.125 58.000 -0.095 0.000 0.930 141 F CB 1.691 40.650 39.000 -0.069 0.000 1.146 141 F HN 0.256 nan 8.300 nan 0.000 0.447 142 K N 0.698 121.139 120.400 0.069 0.000 2.132 142 K HA 0.042 4.362 4.320 0.001 0.000 0.240 142 K C 0.805 177.439 176.600 0.057 0.000 1.036 142 K CA -0.304 55.999 56.287 0.027 0.000 0.888 142 K CB 0.436 32.942 32.500 0.010 0.000 1.071 142 K HN 0.541 nan 8.250 nan 0.000 0.502 143 N N 1.267 119.984 118.700 0.028 0.000 2.453 143 N HA -0.153 4.588 4.740 0.001 0.000 0.183 143 N C 0.720 176.245 175.510 0.024 0.000 1.041 143 N CA 1.362 54.426 53.050 0.024 0.000 0.900 143 N CB 0.018 38.513 38.487 0.014 0.000 0.961 143 N HN 0.541 nan 8.380 nan 0.000 0.443 144 D N -2.060 118.357 120.400 0.029 0.000 2.339 144 D HA 0.166 4.807 4.640 0.001 0.000 0.217 144 D C 1.312 177.635 176.300 0.038 0.000 1.050 144 D CA 0.662 54.678 54.000 0.026 0.000 0.856 144 D CB -0.256 40.557 40.800 0.022 0.000 0.922 144 D HN 0.211 nan 8.370 nan 0.000 0.518 145 G N -0.584 108.256 108.800 0.067 0.000 2.238 145 G HA2 -0.247 3.714 3.960 0.001 0.000 0.217 145 G HA3 -0.247 3.714 3.960 0.001 0.000 0.217 145 G C 0.459 175.468 174.900 0.182 0.000 0.996 145 G CA 0.057 45.217 45.100 0.099 0.000 0.632 145 G HN 0.421 nan 8.290 nan 0.000 0.503 146 T N 1.592 116.216 114.554 0.116 0.000 2.908 146 T HA 0.355 4.706 4.350 0.001 0.000 0.301 146 T C 0.252 174.986 174.700 0.056 0.000 1.019 146 T CA 0.832 62.979 62.100 0.078 0.000 1.152 146 T CB 1.431 70.314 68.868 0.026 0.000 0.966 146 T HN 0.457 nan 8.240 nan 0.000 0.540 147 E N 2.330 122.520 120.200 -0.016 0.000 2.174 147 E HA 0.347 4.698 4.350 0.001 0.000 0.282 147 E C -1.018 175.409 176.600 -0.288 0.000 0.992 147 E CA -0.731 55.485 56.400 -0.307 0.000 0.803 147 E CB 0.479 30.059 29.700 -0.199 0.000 1.090 147 E HN 0.327 nan 8.360 nan 0.000 0.396 148 I N 4.226 124.547 120.570 -0.415 0.000 2.389 148 I HA 0.172 4.343 4.170 0.001 0.000 0.288 148 I C -0.097 175.798 176.117 -0.370 0.000 0.999 148 I CA -0.328 60.797 61.300 -0.292 0.000 1.129 148 I CB 1.703 39.543 38.000 -0.267 0.000 1.288 148 I HN 0.510 nan 8.210 nan 0.000 0.444 149 E N 5.659 125.705 120.200 -0.257 0.000 2.249 149 E HA 0.557 4.908 4.350 0.001 0.000 0.280 149 E C -1.048 175.295 176.600 -0.428 0.000 1.016 149 E CA -0.577 55.630 56.400 -0.320 0.000 0.830 149 E CB 1.555 31.173 29.700 -0.136 0.000 1.081 149 E HN 0.315 nan 8.360 nan 0.000 0.395 150 I N 3.412 123.584 120.570 -0.663 0.000 2.436 150 I HA 0.213 4.383 4.170 0.001 0.000 0.289 150 I C -0.766 174.891 176.117 -0.767 0.000 1.010 150 I CA -0.432 60.499 61.300 -0.614 0.000 1.098 150 I CB 1.205 38.854 38.000 -0.585 0.000 1.266 150 I HN 0.412 nan 8.210 nan 0.000 0.434 151 H N 7.568 126.612 119.070 -0.043 0.000 3.021 151 H HA 0.495 5.052 4.556 0.001 0.000 0.293 151 H C -1.074 174.224 175.328 -0.050 0.000 1.244 151 H CA -0.310 55.710 56.048 -0.046 0.000 1.596 151 H CB 1.256 31.103 29.762 0.141 0.000 1.720 151 H HN 0.394 nan 8.280 nan 0.000 0.537 152 I N 0.898 121.439 120.570 -0.048 0.000 2.411 152 I HA 0.425 4.596 4.170 0.001 0.000 0.284 152 I C 0.895 177.064 176.117 0.086 0.000 1.012 152 I CA -0.276 61.084 61.300 0.102 0.000 1.119 152 I CB 1.920 40.085 38.000 0.275 0.000 1.261 152 I HN 0.791 nan 8.210 nan 0.000 0.448 153 G N 4.364 113.196 108.800 0.054 0.000 2.336 153 G HA2 -0.228 3.733 3.960 0.001 0.000 0.194 153 G HA3 -0.228 3.733 3.960 0.001 0.000 0.194 153 G C 0.510 175.434 174.900 0.040 0.000 0.999 153 G CA 0.133 45.251 45.100 0.031 0.000 0.669 153 G HN 0.659 nan 8.290 nan 0.000 0.482 154 D N 0.761 121.209 120.400 0.080 0.000 2.355 154 D HA 0.148 4.789 4.640 0.001 0.000 0.218 154 D C 0.780 177.118 176.300 0.062 0.000 1.004 154 D CA 0.632 54.704 54.000 0.119 0.000 0.880 154 D CB 0.134 41.075 40.800 0.235 0.000 0.911 154 D HN 0.493 nan 8.370 nan 0.000 0.528 155 K N 0.788 121.215 120.400 0.046 0.000 2.375 155 K HA 0.422 4.743 4.320 0.001 0.000 0.249 155 K C -2.766 173.841 176.600 0.011 0.000 0.942 155 K CA -2.090 54.212 56.287 0.026 0.000 0.806 155 K CB 2.584 35.102 32.500 0.029 0.000 1.227 155 K HN -0.138 nan 8.250 nan 0.000 0.430 156 P HA 0.058 nan 4.420 nan 0.000 0.280 156 P C -0.640 176.656 177.300 -0.007 0.000 1.386 156 P CA 0.247 63.344 63.100 -0.005 0.000 0.899 156 P CB 0.415 32.112 31.700 -0.004 0.000 1.098 157 E N 0.933 121.126 120.200 -0.012 0.000 1.070 157 E HA -0.030 4.321 4.350 0.001 0.000 0.203 157 E C -0.866 175.725 176.600 -0.015 0.000 0.978 157 E CA -0.290 56.102 56.400 -0.012 0.000 0.828 157 E CB -1.447 28.250 29.700 -0.004 0.000 4.933 157 E HN 0.212 nan 8.360 nan 0.000 0.563 158 D N 4.248 124.641 120.400 -0.012 0.000 2.304 158 D HA 0.398 5.039 4.640 0.001 0.000 0.247 158 D C -2.040 174.222 176.300 -0.063 0.000 1.089 158 D CA -1.151 52.841 54.000 -0.014 0.000 0.910 158 D CB 1.185 41.992 40.800 0.013 0.000 1.199 158 D HN 0.058 nan 8.370 nan 0.000 0.426 159 P HA 0.262 nan 4.420 nan 0.000 0.283 159 P C -0.716 176.379 177.300 -0.340 0.000 1.271 159 P CA -0.611 62.357 63.100 -0.219 0.000 0.841 159 P CB 1.268 32.814 31.700 -0.256 0.000 1.122 160 V N -1.943 117.748 119.914 -0.373 0.000 3.096 160 V HA 0.679 4.799 4.120 0.001 0.000 0.319 160 V C -0.471 175.280 176.094 -0.572 0.000 1.103 160 V CA -0.809 61.288 62.300 -0.338 0.000 1.016 160 V CB 1.045 32.787 31.823 -0.135 0.000 1.090 160 V HN 0.300 nan 8.190 nan 0.000 0.449 161 F N -0.320 119.642 119.950 0.021 0.000 2.572 161 F HA 0.884 5.411 4.527 0.001 0.000 0.342 161 F C 0.543 176.361 175.800 0.031 0.000 1.064 161 F CA -0.374 57.656 58.000 0.051 0.000 1.008 161 F CB 2.105 41.177 39.000 0.120 0.000 1.303 161 F HN 0.846 nan 8.300 nan 0.000 0.492 162 T N 0.513 115.213 114.554 0.243 0.000 2.830 162 T HA 0.589 4.940 4.350 0.001 0.000 0.322 162 T C -1.638 173.147 174.700 0.142 0.000 1.501 162 T CA -0.531 61.655 62.100 0.144 0.000 1.036 162 T CB 0.990 69.901 68.868 0.072 0.000 1.379 162 T HN 0.461 nan 8.240 nan 0.000 0.493 163 I N 4.504 125.148 120.570 0.124 0.000 2.668 163 I HA 0.302 4.473 4.170 0.001 0.000 0.276 163 I C -2.202 173.974 176.117 0.100 0.000 1.139 163 I CA -2.036 59.332 61.300 0.114 0.000 1.133 163 I CB 1.629 39.711 38.000 0.136 0.000 1.327 163 I HN 0.374 nan 8.210 nan 0.000 0.520 164 P HA -0.049 nan 4.420 nan 0.000 0.261 164 P C -0.398 176.956 177.300 0.090 0.000 1.183 164 P CA 0.283 63.428 63.100 0.075 0.000 0.761 164 P CB 1.122 32.855 31.700 0.055 0.000 0.785 165 D N 2.183 122.645 120.400 0.104 0.000 2.377 165 D HA 0.148 4.789 4.640 0.001 0.000 0.245 165 D C -0.304 176.062 176.300 0.111 0.000 1.196 165 D CA -0.376 53.703 54.000 0.132 0.000 0.962 165 D CB 0.588 41.479 40.800 0.152 0.000 1.127 165 D HN 0.125 nan 8.370 nan 0.000 0.471 166 L N 2.189 123.483 121.223 0.117 0.000 2.350 166 L HA 0.215 4.556 4.340 0.001 0.000 0.275 166 L C -0.611 176.321 176.870 0.103 0.000 1.099 166 L CA -0.761 54.135 54.840 0.092 0.000 0.808 166 L CB 0.613 42.718 42.059 0.077 0.000 1.149 166 L HN 0.228 nan 8.230 nan 0.000 0.442 167 L N 5.385 126.672 121.223 0.107 0.000 2.485 167 L HA 0.329 4.670 4.340 0.001 0.000 0.275 167 L C -1.656 175.309 176.870 0.158 0.000 1.207 167 L CA -1.389 53.548 54.840 0.161 0.000 0.855 167 L CB -1.241 40.937 42.059 0.198 0.000 1.114 167 L HN 0.534 nan 8.230 nan 0.000 0.485 168 P HA -0.232 nan 4.420 nan 0.000 0.217 168 P C 1.318 178.591 177.300 -0.045 0.000 1.148 168 P CA 1.864 64.960 63.100 -0.008 0.000 0.828 168 P CB -0.199 31.443 31.700 -0.097 0.000 0.783 169 H N -0.700 118.380 119.070 0.017 0.000 2.353 169 H HA -0.072 4.485 4.556 0.002 0.000 0.298 169 H C 1.430 176.763 175.328 0.008 0.000 1.103 169 H CA 1.033 57.088 56.048 0.011 0.000 1.293 169 H CB -0.219 29.550 29.762 0.011 0.000 1.372 169 H HN 0.153 nan 8.280 nan 0.000 0.501 170 L N 0.493 121.801 121.223 0.141 0.000 2.693 170 L HA 0.093 4.433 4.340 0.001 0.000 0.235 170 L C 0.544 177.439 176.870 0.041 0.000 1.127 170 L CA 0.080 54.964 54.840 0.074 0.000 0.914 170 L CB 0.115 42.212 42.059 0.064 0.000 1.193 170 L HN 0.053 nan 8.230 nan 0.000 0.502 171 D N 0.398 120.820 120.400 0.036 0.000 2.416 171 D HA -0.006 4.635 4.640 0.001 0.000 0.240 171 D C 1.033 177.328 176.300 -0.008 0.000 1.250 171 D CA 0.190 54.197 54.000 0.011 0.000 0.967 171 D CB 1.229 42.038 40.800 0.014 0.000 1.059 171 D HN -0.106 nan 8.370 nan 0.000 0.512 172 K N 2.281 122.674 120.400 -0.011 0.000 2.054 172 K HA 0.006 4.327 4.320 0.001 0.000 0.207 172 K C 0.000 176.582 176.600 -0.030 0.000 1.031 172 K CA 0.549 56.825 56.287 -0.017 0.000 0.952 172 K CB -0.228 32.266 32.500 -0.010 0.000 0.775 172 K HN 0.138 nan 8.250 nan 0.000 0.447 173 E N 2.155 122.333 120.200 -0.036 0.000 2.606 173 E HA -0.081 4.270 4.350 0.001 0.000 0.248 173 E C -0.922 175.639 176.600 -0.064 0.000 1.005 173 E CA 0.482 56.854 56.400 -0.046 0.000 0.946 173 E CB 0.143 29.813 29.700 -0.050 0.000 0.928 173 E HN 0.147 nan 8.360 nan 0.000 0.494 174 D N 3.002 123.369 120.400 -0.055 0.000 2.558 174 D HA 0.247 4.888 4.640 0.001 0.000 0.221 174 D C -0.334 175.924 176.300 -0.069 0.000 1.143 174 D CA -0.274 53.689 54.000 -0.062 0.000 1.010 174 D CB -0.272 40.502 40.800 -0.043 0.000 1.068 174 D HN 0.408 nan 8.370 nan 0.000 0.511 175 A N 2.982 125.743 122.820 -0.097 0.000 2.250 175 A HA 0.545 4.866 4.320 0.001 0.000 0.283 175 A C 0.285 177.814 177.584 -0.092 0.000 1.206 175 A CA -0.591 51.390 52.037 -0.093 0.000 0.840 175 A CB 0.444 19.374 19.000 -0.117 0.000 1.220 175 A HN 0.536 nan 8.150 nan 0.000 0.505 176 K N -0.342 120.015 120.400 -0.071 0.000 2.123 176 K HA 0.468 4.789 4.320 0.001 0.000 0.259 176 K C 0.252 176.826 176.600 -0.044 0.000 0.960 176 K CA -0.826 55.433 56.287 -0.047 0.000 0.872 176 K CB 1.054 33.542 32.500 -0.020 0.000 1.079 176 K HN 0.330 nan 8.250 nan 0.000 0.440 177 I N 1.597 122.163 120.570 -0.008 0.000 2.191 177 I HA -0.383 3.788 4.170 0.001 0.000 0.248 177 I C 1.785 177.960 176.117 0.097 0.000 1.061 177 I CA 1.540 62.886 61.300 0.077 0.000 1.329 177 I CB -1.508 36.564 38.000 0.120 0.000 1.024 177 I HN 0.781 nan 8.210 nan 0.000 0.423 178 S N -0.127 115.606 115.700 0.054 0.000 2.398 178 S HA -0.207 4.264 4.470 0.001 0.000 0.220 178 S C 1.079 175.698 174.600 0.032 0.000 1.038 178 S CA 1.032 59.262 58.200 0.051 0.000 1.080 178 S CB -0.344 62.875 63.200 0.032 0.000 1.039 178 S HN 0.578 nan 8.310 nan 0.000 0.419 179 E N 1.429 121.624 120.200 -0.009 0.000 2.397 179 E HA 0.192 4.543 4.350 0.001 0.000 0.254 179 E C -0.295 176.241 176.600 -0.106 0.000 1.231 179 E CA -0.238 56.139 56.400 -0.037 0.000 0.954 179 E CB 0.314 29.985 29.700 -0.048 0.000 1.024 179 E HN 0.217 nan 8.360 nan 0.000 0.481 180 K N 1.253 121.564 120.400 -0.149 0.000 6.984 180 K HA -0.230 4.091 4.320 0.001 0.000 0.664 180 K C -1.305 175.126 176.600 -0.282 0.000 2.558 180 K CA 0.814 56.892 56.287 -0.348 0.000 1.934 180 K CB -0.829 31.312 32.500 -0.597 0.000 2.338 180 K HN 0.712 nan 8.250 nan 0.000 0.216 181 F N 0.740 120.707 119.950 0.027 0.000 2.494 181 F HA -0.205 4.324 4.527 0.004 0.000 0.419 181 F C 0.317 176.119 175.800 0.003 0.000 1.145 181 F CA 0.242 58.261 58.000 0.033 0.000 1.347 181 F CB -0.548 38.492 39.000 0.066 0.000 1.973 181 F HN 0.345 nan 8.300 nan 0.000 0.778 182 K N 1.273 121.761 120.400 0.148 0.000 2.234 182 K HA 0.319 4.640 4.320 0.001 0.000 0.282 182 K C 1.244 177.885 176.600 0.067 0.000 1.039 182 K CA 0.303 56.638 56.287 0.080 0.000 0.928 182 K CB 1.330 33.858 32.500 0.047 0.000 1.039 182 K HN 0.443 nan 8.250 nan 0.000 0.470 183 G N 2.777 111.610 108.800 0.055 0.000 2.503 183 G HA2 -0.289 3.672 3.960 0.001 0.000 0.221 183 G HA3 -0.289 3.672 3.960 0.001 0.000 0.221 183 G C 1.175 176.092 174.900 0.028 0.000 1.131 183 G CA 0.587 45.727 45.100 0.067 0.000 0.756 183 G HN 0.576 nan 8.290 nan 0.000 0.572 184 E N 1.060 121.264 120.200 0.008 0.000 2.118 184 E HA -0.095 4.256 4.350 0.001 0.000 0.195 184 E C 1.876 178.478 176.600 0.003 0.000 0.992 184 E CA 0.673 57.067 56.400 -0.010 0.000 0.804 184 E CB -0.253 29.442 29.700 -0.009 0.000 0.741 184 E HN 0.371 nan 8.360 nan 0.000 0.458 185 N N 0.488 119.205 118.700 0.028 0.000 2.501 185 N HA 0.022 4.762 4.740 0.001 0.000 0.195 185 N C 0.644 176.182 175.510 0.046 0.000 1.213 185 N CA 0.252 53.325 53.050 0.039 0.000 0.864 185 N CB 0.184 38.710 38.487 0.064 0.000 0.999 185 N HN 0.155 nan 8.380 nan 0.000 0.454 189 I N 1.743 122.365 120.570 0.086 0.000 2.436 189 I HA 0.112 4.283 4.170 0.001 0.000 0.289 189 I C 1.215 177.332 176.117 -0.000 0.000 1.083 189 I CA 0.334 61.639 61.300 0.007 0.000 1.372 189 I CB 1.741 39.756 38.000 0.025 0.000 1.408 189 I HN 0.893 nan 8.210 nan 0.000 0.516 190 A N 5.546 128.213 122.820 -0.254 0.000 1.878 190 A HA 0.429 4.750 4.320 0.001 0.000 0.213 190 A C 1.035 178.529 177.584 -0.149 0.000 1.192 190 A CA 1.044 52.819 52.037 -0.437 0.000 0.619 190 A CB -0.064 18.288 19.000 -1.079 0.000 0.837 190 A HN 0.783 nan 8.150 nan 0.000 0.446 191 G N -3.264 105.456 108.800 -0.133 0.000 2.523 191 G HA2 0.434 4.395 3.960 0.001 0.000 0.291 191 G HA3 0.434 4.395 3.960 0.001 0.000 0.291 191 G C -0.056 174.808 174.900 -0.059 0.000 1.450 191 G CA 0.769 45.830 45.100 -0.066 0.000 0.790 191 G HN 0.606 nan 8.290 nan 0.000 0.496 192 T N -2.262 112.269 114.554 -0.038 0.000 2.993 192 T HA 0.334 4.685 4.350 0.001 0.000 0.260 192 T C 0.770 175.455 174.700 -0.024 0.000 0.939 192 T CA 0.045 62.125 62.100 -0.033 0.000 0.886 192 T CB -0.092 68.759 68.868 -0.028 0.000 1.209 192 T HN 0.407 nan 8.240 nan 0.000 0.518 193 I N 4.689 125.247 120.570 -0.020 0.000 2.496 193 I HA 0.331 4.502 4.170 0.001 0.000 0.285 193 I C -2.285 173.826 176.117 -0.011 0.000 1.080 193 I CA -2.234 59.058 61.300 -0.013 0.000 1.404 193 I CB 1.065 39.060 38.000 -0.009 0.000 1.403 193 I HN 0.086 nan 8.210 nan 0.000 0.539 194 P HA 0.211 nan 4.420 nan 0.000 0.298 194 P C -0.803 176.496 177.300 -0.002 0.000 1.314 194 P CA -0.628 62.468 63.100 -0.006 0.000 0.854 194 P CB 1.807 33.502 31.700 -0.008 0.000 1.019 195 L N 3.364 124.588 121.223 0.001 0.000 2.418 195 L HA 0.090 4.431 4.340 0.001 0.000 0.274 195 L C 0.805 177.677 176.870 0.003 0.000 1.135 195 L CA 0.016 54.858 54.840 0.004 0.000 0.870 195 L CB 0.557 42.621 42.059 0.009 0.000 1.154 195 L HN 0.531 nan 8.230 nan 0.000 0.462 196 S N 3.110 118.811 115.700 0.002 0.000 2.549 196 S HA 0.433 4.903 4.470 0.001 0.000 0.283 196 S C 0.998 175.599 174.600 0.002 0.000 1.320 196 S CA 0.077 58.277 58.200 0.001 0.000 1.058 196 S CB 1.375 64.575 63.200 0.000 0.000 0.882 196 S HN 1.137 nan 8.310 nan 0.000 0.498 197 G N 1.278 110.079 108.800 0.002 0.000 2.232 197 G HA2 -0.191 3.769 3.960 0.001 0.000 0.226 197 G HA3 -0.191 3.769 3.960 0.001 0.000 0.226 197 G C -0.151 174.751 174.900 0.004 0.000 0.996 197 G CA -0.101 45.001 45.100 0.003 0.000 0.626 197 G HN 0.723 nan 8.290 nan 0.000 0.509 198 E N 1.041 121.244 120.200 0.004 0.000 2.223 198 E HA 0.340 4.691 4.350 0.001 0.000 0.282 198 E C 1.199 177.801 176.600 0.003 0.000 1.046 198 E CA -0.164 56.239 56.400 0.005 0.000 0.857 198 E CB 0.912 30.615 29.700 0.006 0.000 1.055 198 E HN 0.663 nan 8.360 nan 0.000 0.409 199 E N 2.586 122.788 120.200 0.003 0.000 2.158 199 E HA -0.089 4.262 4.350 0.001 0.000 0.191 199 E C 0.132 176.733 176.600 0.002 0.000 0.982 199 E CA 0.810 57.211 56.400 0.002 0.000 0.823 199 E CB 0.180 29.881 29.700 0.003 0.000 0.766 199 E HN 0.333 nan 8.360 nan 0.000 0.468 200 K N 0.429 120.831 120.400 0.003 0.000 2.371 200 K HA 0.330 4.651 4.320 0.001 0.000 0.251 200 K C -0.835 175.766 176.600 0.002 0.000 0.934 200 K CA -0.702 55.586 56.287 0.002 0.000 0.798 200 K CB 1.599 34.101 32.500 0.003 0.000 1.204 200 K HN -0.223 nan 8.250 nan 0.000 0.427 201 E N 1.066 121.265 120.200 -0.002 0.000 2.199 201 E HA -0.318 4.033 4.350 0.001 0.000 0.208 201 E C 0.720 177.319 176.600 -0.002 0.000 1.310 201 E CA 0.363 56.760 56.400 -0.004 0.000 0.709 201 E CB -1.195 28.503 29.700 -0.003 0.000 1.127 201 E HN 0.791 nan 8.360 nan 0.000 0.354 202 A N 0.084 122.902 122.820 -0.003 0.000 1.940 202 A HA -0.183 4.138 4.320 0.001 0.000 0.219 202 A C 2.161 179.743 177.584 -0.003 0.000 1.176 202 A CA 1.753 53.789 52.037 -0.001 0.000 0.631 202 A CB -0.062 18.936 19.000 -0.002 0.000 0.814 202 A HN 0.265 nan 8.150 nan 0.000 0.446 203 V N 0.180 120.087 119.914 -0.011 0.000 2.307 203 V HA -0.246 3.875 4.120 0.001 0.000 0.245 203 V C 2.503 178.585 176.094 -0.019 0.000 1.045 203 V CA 2.277 64.566 62.300 -0.018 0.000 1.024 203 V CB -0.701 31.103 31.823 -0.031 0.000 0.651 203 V HN 0.699 nan 8.190 nan 0.000 0.449 204 K N -0.033 120.354 120.400 -0.022 0.000 2.103 204 K HA -0.201 4.120 4.320 0.001 0.000 0.207 204 K C 2.154 178.765 176.600 0.018 0.000 1.048 204 K CA 1.994 58.272 56.287 -0.016 0.000 0.930 204 K CB -0.282 32.209 32.500 -0.014 0.000 0.716 204 K HN 0.488 nan 8.250 nan 0.000 0.444 205 T N 0.673 115.239 114.554 0.020 0.000 2.821 205 T HA -0.132 4.219 4.350 0.001 0.000 0.267 205 T C 1.560 176.283 174.700 0.038 0.000 1.046 205 T CA 1.633 63.753 62.100 0.033 0.000 1.139 205 T CB -0.379 68.504 68.868 0.024 0.000 0.871 205 T HN 0.402 nan 8.240 nan 0.000 0.454 206 N N 0.665 119.380 118.700 0.026 0.000 2.166 206 N HA -0.086 4.655 4.740 0.001 0.000 0.186 206 N C 1.655 177.194 175.510 0.048 0.000 1.019 206 N CA 0.873 53.940 53.050 0.029 0.000 0.856 206 N CB -0.302 38.194 38.487 0.015 0.000 0.993 206 N HN 0.149 nan 8.380 nan 0.000 0.426 207 V N 0.637 120.580 119.914 0.049 0.000 2.358 207 V HA -0.162 3.958 4.120 0.001 0.000 0.246 207 V C 2.231 178.412 176.094 0.144 0.000 1.047 207 V CA 1.240 63.591 62.300 0.084 0.000 1.035 207 V CB -0.520 31.325 31.823 0.037 0.000 0.658 207 V HN 0.355 nan 8.190 nan 0.000 0.452 208 L N -0.091 121.212 121.223 0.134 0.000 2.141 208 L HA -0.180 4.161 4.340 0.001 0.000 0.209 208 L C 2.562 179.503 176.870 0.117 0.000 1.094 208 L CA 1.726 56.660 54.840 0.157 0.000 0.763 208 L CB -0.551 41.590 42.059 0.135 0.000 0.908 208 L HN 0.332 nan 8.230 nan 0.000 0.437 209 K N 0.920 121.371 120.400 0.085 0.000 2.097 209 K HA -0.157 4.163 4.320 0.001 0.000 0.205 209 K C 2.040 178.679 176.600 0.065 0.000 1.050 209 K CA 1.268 57.592 56.287 0.062 0.000 0.938 209 K CB -0.010 32.516 32.500 0.044 0.000 0.718 209 K HN 0.227 nan 8.250 nan 0.000 0.442 210 I N 1.009 121.628 120.570 0.082 0.000 2.233 210 I HA -0.257 3.914 4.170 0.001 0.000 0.243 210 I C 2.140 178.326 176.117 0.114 0.000 1.093 210 I CA 0.913 62.263 61.300 0.083 0.000 1.380 210 I CB -0.151 37.909 38.000 0.099 0.000 1.067 210 I HN 0.153 nan 8.210 nan 0.000 0.413 211 L N 0.609 121.943 121.223 0.183 0.000 2.131 211 L HA -0.224 4.117 4.340 0.001 0.000 0.210 211 L C 2.388 179.378 176.870 0.201 0.000 1.092 211 L CA 1.265 56.265 54.840 0.268 0.000 0.759 211 L CB -0.706 41.530 42.059 0.295 0.000 0.903 211 L HN 0.441 nan 8.230 nan 0.000 0.435 212 N N 0.069 118.839 118.700 0.118 0.000 2.354 212 N HA -0.081 4.660 4.740 0.001 0.000 0.179 212 N C 0.574 176.105 175.510 0.034 0.000 1.021 212 N CA 0.322 53.416 53.050 0.073 0.000 0.887 212 N CB 0.415 38.936 38.487 0.056 0.000 0.974 212 N HN 0.451 nan 8.380 nan 0.000 0.437 216 G N 2.270 111.117 108.800 0.077 0.000 2.198 216 G HA2 -0.319 3.642 3.960 0.001 0.000 0.260 216 G HA3 -0.319 3.642 3.960 0.001 0.000 0.260 216 G C 0.237 175.152 174.900 0.025 0.000 1.025 216 G CA 0.640 45.763 45.100 0.037 0.000 0.769 216 G HN 0.644 nan 8.290 nan 0.000 0.507 217 I N -2.163 118.424 120.570 0.028 0.000 2.918 217 I HA 0.945 5.116 4.170 0.001 0.000 0.316 217 I C 0.491 176.587 176.117 -0.035 0.000 1.001 217 I CA -0.382 60.887 61.300 -0.052 0.000 1.142 217 I CB 2.044 39.940 38.000 -0.173 0.000 1.356 217 I HN 0.240 nan 8.210 nan 0.000 0.524 218 T N -1.579 112.937 114.554 -0.062 0.000 2.901 218 T HA 0.293 4.644 4.350 0.001 0.000 0.293 218 T C 0.544 175.246 174.700 0.004 0.000 1.084 218 T CA -0.568 61.531 62.100 -0.002 0.000 1.008 218 T CB 1.926 70.803 68.868 0.014 0.000 1.170 218 T HN 0.866 nan 8.240 nan 0.000 0.509 219 E N 0.318 120.586 120.200 0.113 0.000 2.187 219 E HA -0.280 4.070 4.350 0.001 0.000 0.199 219 E C 1.660 178.392 176.600 0.220 0.000 1.004 219 E CA 1.729 58.277 56.400 0.247 0.000 0.813 219 E CB 0.003 29.830 29.700 0.211 0.000 0.736 219 E HN 0.822 nan 8.360 nan 0.000 0.468 220 E N -0.113 120.149 120.200 0.103 0.000 2.347 220 E HA -0.160 4.191 4.350 0.001 0.000 0.196 220 E C 0.842 177.473 176.600 0.050 0.000 1.008 220 E CA 0.927 57.377 56.400 0.083 0.000 0.852 220 E CB 0.128 29.859 29.700 0.051 0.000 0.783 220 E HN 0.274 nan 8.360 nan 0.000 0.505 221 D N -0.251 120.127 120.400 -0.037 0.000 2.348 221 D HA -0.102 4.539 4.640 0.001 0.000 0.216 221 D C 0.954 177.167 176.300 -0.144 0.000 0.970 221 D CA 0.573 54.503 54.000 -0.117 0.000 0.889 221 D CB -0.172 40.496 40.800 -0.220 0.000 0.912 221 D HN 0.307 nan 8.370 nan 0.000 0.524 222 F N 0.067 120.020 119.950 0.005 0.000 2.456 222 F HA -0.095 4.433 4.527 0.002 0.000 0.298 222 F C 2.285 178.091 175.800 0.010 0.000 1.104 222 F CA 0.169 58.167 58.000 -0.004 0.000 1.435 222 F CB -0.030 38.979 39.000 0.016 0.000 1.078 222 F HN -0.143 nan 8.300 nan 0.000 0.546 223 V N -0.554 119.469 119.914 0.182 0.000 2.261 223 V HA -0.236 3.885 4.120 0.001 0.000 0.246 223 V C 1.685 177.829 176.094 0.084 0.000 1.047 223 V CA 1.874 64.241 62.300 0.111 0.000 1.015 223 V CB -0.933 30.936 31.823 0.077 0.000 0.642 223 V HN 0.391 nan 8.190 nan 0.000 0.446 224 S N 0.156 115.903 115.700 0.079 0.000 3.324 224 S HA 0.535 5.006 4.470 0.001 0.000 0.229 224 S C 0.191 174.898 174.600 0.178 0.000 1.417 224 S CA 0.122 58.379 58.200 0.095 0.000 1.211 224 S CB -0.170 63.080 63.200 0.083 0.000 1.157 224 S HN 0.602 nan 8.310 nan 0.000 0.491 225 G N 0.178 109.050 108.800 0.120 0.000 2.695 225 G HA2 0.624 4.584 3.960 0.001 0.000 0.290 225 G HA3 0.624 4.584 3.960 0.001 0.000 0.290 225 G C -1.740 173.184 174.900 0.040 0.000 1.410 225 G CA -0.827 44.322 45.100 0.080 0.000 0.844 225 G HN 0.315 nan 8.290 nan 0.000 0.478 226 E N 0.187 120.368 120.200 -0.031 0.000 2.409 226 E HA 0.352 4.703 4.350 0.001 0.000 0.259 226 E C -1.108 175.385 176.600 -0.180 0.000 0.932 226 E CA -0.267 56.088 56.400 -0.075 0.000 0.809 226 E CB 1.889 31.560 29.700 -0.049 0.000 1.341 226 E HN 0.325 nan 8.360 nan 0.000 0.405 227 I N 3.144 123.555 120.570 -0.265 0.000 2.389 227 I HA 0.245 4.416 4.170 0.001 0.000 0.288 227 I C -0.115 175.731 176.117 -0.452 0.000 0.999 227 I CA -0.544 60.452 61.300 -0.507 0.000 1.129 227 I CB 1.505 38.888 38.000 -1.028 0.000 1.288 227 I HN 0.308 nan 8.210 nan 0.000 0.444 228 E N 5.684 125.701 120.200 -0.305 0.000 2.204 228 E HA 0.498 4.849 4.350 0.001 0.000 0.276 228 E C -1.116 175.409 176.600 -0.125 0.000 0.974 228 E CA -0.888 55.418 56.400 -0.158 0.000 0.815 228 E CB 2.877 32.539 29.700 -0.063 0.000 1.119 228 E HN 0.212 nan 8.360 nan 0.000 0.393 229 V N 3.060 122.965 119.914 -0.015 0.000 2.350 229 V HA 0.268 4.389 4.120 0.001 0.000 0.276 229 V C -0.160 176.041 176.094 0.180 0.000 1.028 229 V CA -0.588 61.754 62.300 0.071 0.000 0.860 229 V CB 1.280 33.192 31.823 0.147 0.000 0.990 229 V HN 0.411 nan 8.190 nan 0.000 0.453 230 V N 7.170 127.151 119.914 0.111 0.000 2.914 230 V HA 0.531 4.652 4.120 0.001 0.000 0.314 230 V C -2.286 173.672 176.094 -0.227 0.000 1.084 230 V CA -2.131 60.122 62.300 -0.078 0.000 0.963 230 V CB 2.922 34.705 31.823 -0.067 0.000 1.025 230 V HN 0.692 nan 8.190 nan 0.000 0.432 231 P HA 0.085 nan 4.420 nan 0.000 0.268 231 P C 0.294 177.261 177.300 -0.555 0.000 1.205 231 P CA 0.139 62.815 63.100 -0.707 0.000 0.771 231 P CB 1.121 32.266 31.700 -0.924 0.000 0.858 232 A N 4.343 126.814 122.820 -0.581 0.000 1.930 232 A HA -0.059 4.262 4.320 0.001 0.000 0.217 232 A C 0.898 178.368 177.584 -0.191 0.000 1.175 232 A CA 0.713 52.570 52.037 -0.300 0.000 0.627 232 A CB -1.333 17.537 19.000 -0.216 0.000 0.815 232 A HN 0.602 nan 8.150 nan 0.000 0.443 233 F N 0.449 120.373 119.950 -0.044 0.000 2.563 233 F HA 0.490 5.017 4.527 0.001 0.000 0.363 233 F C 0.477 176.307 175.800 0.050 0.000 1.123 233 F CA -1.194 56.786 58.000 -0.034 0.000 1.307 233 F CB -0.609 38.305 39.000 -0.143 0.000 1.115 233 F HN -0.099 nan 8.300 nan 0.000 0.592 234 S N 2.226 118.092 115.700 0.276 0.000 2.672 234 S HA 0.492 4.963 4.470 0.001 0.000 0.276 234 S C -2.435 172.299 174.600 0.224 0.000 1.207 234 S CA -1.165 57.151 58.200 0.193 0.000 1.002 234 S CB 0.843 64.100 63.200 0.096 0.000 0.998 234 S HN 0.439 nan 8.310 nan 0.000 0.542 235 P HA 0.222 nan 4.420 nan 0.000 0.265 235 P C -0.500 176.852 177.300 0.087 0.000 1.193 235 P CA 0.099 63.241 63.100 0.071 0.000 0.765 235 P CB 0.415 32.064 31.700 -0.085 0.000 0.823 236 R N 1.909 122.481 120.500 0.121 0.000 2.808 236 R HA 0.356 4.697 4.340 0.001 0.000 0.272 236 R C -0.031 176.315 176.300 0.076 0.000 0.995 236 R CA -0.918 55.251 56.100 0.115 0.000 0.917 236 R CB 1.333 31.743 30.300 0.183 0.000 1.217 236 R HN 0.500 nan 8.270 nan 0.000 0.471 237 E N 0.565 120.803 120.200 0.063 0.000 2.392 237 E HA 0.303 4.654 4.350 0.001 0.000 0.259 237 E C -0.516 176.121 176.600 0.062 0.000 1.108 237 E CA -0.252 56.181 56.400 0.056 0.000 0.916 237 E CB 1.040 30.770 29.700 0.050 0.000 0.989 237 E HN 0.085 nan 8.360 nan 0.000 0.432 238 V N 1.118 121.062 119.914 0.049 0.000 2.760 238 V HA 0.676 4.797 4.120 0.001 0.000 0.309 238 V C 0.203 176.313 176.094 0.027 0.000 1.077 238 V CA -0.015 62.314 62.300 0.049 0.000 0.910 238 V CB 1.360 33.205 31.823 0.038 0.000 1.008 238 V HN 0.985 nan 8.190 nan 0.000 0.424 242 R N 0.500 120.952 120.500 -0.080 0.000 3.641 242 R HA -0.177 4.164 4.340 0.001 0.000 0.286 242 R C 0.882 177.177 176.300 -0.007 0.000 1.153 242 R CA 1.117 57.200 56.100 -0.028 0.000 0.775 242 R CB -2.978 27.315 30.300 -0.012 0.000 1.215 242 R HN 0.476 nan 8.270 nan 0.000 0.474 243 S N -0.830 114.833 115.700 -0.062 0.000 2.496 243 S HA 0.144 4.615 4.470 0.001 0.000 0.224 243 S C 0.896 175.636 174.600 0.234 0.000 0.996 243 S CA 0.059 58.282 58.200 0.038 0.000 0.927 243 S CB 0.291 63.359 63.200 -0.221 0.000 0.774 243 S HN 0.345 nan 8.310 nan 0.000 0.524 244 L N 0.800 122.095 121.223 0.119 0.000 2.313 244 L HA 0.659 5.000 4.340 0.001 0.000 0.268 244 L C -0.508 176.407 176.870 0.075 0.000 1.010 244 L CA -1.128 53.776 54.840 0.107 0.000 0.814 244 L CB 1.573 43.667 42.059 0.058 0.000 1.304 244 L HN 0.091 nan 8.230 nan 0.000 0.441 245 I N 0.327 120.928 120.570 0.051 0.000 2.474 245 I HA 0.528 4.699 4.170 0.001 0.000 0.294 245 I C 0.099 176.125 176.117 -0.152 0.000 1.005 245 I CA -0.446 60.859 61.300 0.009 0.000 1.113 245 I CB 2.062 40.127 38.000 0.108 0.000 1.289 245 I HN 0.620 nan 8.210 nan 0.000 0.436 246 G N 4.260 112.873 108.800 -0.312 0.000 2.487 246 G HA2 0.809 4.770 3.960 0.001 0.000 0.314 246 G HA3 0.809 4.770 3.960 0.001 0.000 0.314 246 G C -1.126 173.297 174.900 -0.794 0.000 1.267 246 G CA -0.402 44.122 45.100 -0.960 0.000 0.937 246 G HN 0.840 nan 8.290 nan 0.000 0.481 247 A N 1.842 124.281 122.820 -0.635 0.000 2.605 247 A HA 0.618 4.939 4.320 0.001 0.000 0.294 247 A C -1.630 175.975 177.584 0.036 0.000 1.062 247 A CA -0.787 51.172 52.037 -0.129 0.000 0.682 247 A CB 0.957 19.891 19.000 -0.110 0.000 1.278 247 A HN 1.294 nan 8.150 nan 0.000 0.410 248 Y N 1.218 121.605 120.300 0.144 0.000 2.309 248 Y HA 0.444 4.994 4.550 0.001 0.000 0.327 248 Y C 1.242 177.213 175.900 0.118 0.000 1.172 248 Y CA 0.880 59.081 58.100 0.169 0.000 1.280 248 Y CB 0.999 39.588 38.460 0.214 0.000 1.234 248 Y HN 2.260 nan 8.280 nan 0.000 0.512 249 G N 4.509 112.771 108.800 -0.897 0.000 2.160 249 G HA2 -0.307 3.654 3.960 0.001 0.000 0.251 249 G HA3 -0.307 3.654 3.960 0.001 0.000 0.251 249 G C 0.786 175.574 174.900 -0.187 0.000 1.008 249 G CA 0.528 45.211 45.100 -0.696 0.000 0.724 249 G HN 0.726 nan 8.290 nan 0.000 0.514 250 Q N -0.308 119.454 119.800 -0.063 0.000 2.291 250 Q HA -0.082 4.259 4.340 0.001 0.000 0.206 250 Q C 0.972 177.020 176.000 0.078 0.000 0.976 250 Q CA 0.859 56.706 55.803 0.074 0.000 0.875 250 Q CB -0.000 28.792 28.738 0.091 0.000 0.927 250 Q HN 0.611 nan 8.270 nan 0.000 0.450 251 D N 1.336 121.778 120.400 0.071 0.000 2.426 251 D HA -0.079 4.561 4.640 0.001 0.000 0.271 251 D C -0.261 176.044 176.300 0.009 0.000 1.376 251 D CA 0.675 54.753 54.000 0.130 0.000 1.149 251 D CB -0.156 40.815 40.800 0.285 0.000 1.118 251 D HN 0.099 nan 8.370 nan 0.000 0.529 252 D N 0.934 121.311 120.400 -0.038 0.000 2.603 252 D HA -0.201 4.440 4.640 0.001 0.000 0.180 252 D C 1.330 177.630 176.300 -0.000 0.000 0.972 252 D CA 0.736 54.647 54.000 -0.149 0.000 1.022 252 D CB -0.342 40.028 40.800 -0.716 0.000 1.079 252 D HN 0.428 nan 8.370 nan 0.000 0.455 253 R N 0.398 120.951 120.500 0.090 0.000 2.148 253 R HA 0.100 4.441 4.340 0.001 0.000 0.223 253 R C 2.431 178.960 176.300 0.381 0.000 1.088 253 R CA 0.824 57.074 56.100 0.250 0.000 0.985 253 R CB -0.225 30.202 30.300 0.212 0.000 0.880 253 R HN 0.467 nan 8.270 nan 0.000 0.451 254 I N -0.070 120.677 120.570 0.295 0.000 2.286 254 I HA -0.284 3.887 4.170 0.001 0.000 0.245 254 I C 1.881 178.071 176.117 0.121 0.000 1.104 254 I CA 1.166 62.581 61.300 0.193 0.000 1.397 254 I CB 0.003 38.051 38.000 0.080 0.000 1.072 254 I HN 0.115 nan 8.210 nan 0.000 0.417 255 C N 0.776 120.157 119.300 0.134 0.000 2.457 255 C HA 0.006 4.466 4.460 0.001 0.000 0.278 255 C C 3.053 178.157 174.990 0.190 0.000 1.309 255 C CA 0.871 59.998 59.018 0.182 0.000 1.735 255 C CB -1.104 26.720 27.740 0.141 0.000 1.992 255 C HN 0.669 nan 8.230 nan 0.000 0.493 256 A N -0.975 121.965 122.820 0.200 0.000 1.930 256 A HA -0.198 4.123 4.320 0.001 0.000 0.217 256 A C 1.951 179.706 177.584 0.285 0.000 1.175 256 A CA 1.627 53.855 52.037 0.318 0.000 0.627 256 A CB -0.860 18.432 19.000 0.487 0.000 0.815 256 A HN 0.653 nan 8.150 nan 0.000 0.443 257 Y N 1.843 122.171 120.300 0.047 0.000 2.133 257 Y HA -0.215 4.336 4.550 0.001 0.000 0.287 257 Y C 2.948 178.806 175.900 -0.070 0.000 1.134 257 Y CA 2.538 60.500 58.100 -0.230 0.000 1.133 257 Y CB -0.807 37.481 38.460 -0.286 0.000 0.987 257 Y HN 0.442 nan 8.280 nan 0.000 0.502 258 T N -1.376 113.195 114.554 0.029 0.000 2.788 258 T HA -0.175 4.176 4.350 0.001 0.000 0.268 258 T C 2.070 176.894 174.700 0.207 0.000 1.044 258 T CA 1.248 63.424 62.100 0.127 0.000 1.139 258 T CB -1.028 67.944 68.868 0.173 0.000 0.867 258 T HN 0.361 nan 8.240 nan 0.000 0.454 259 A N 1.352 124.302 122.820 0.216 0.000 1.930 259 A HA 0.216 4.537 4.320 0.001 0.000 0.217 259 A C 2.384 179.976 177.584 0.015 0.000 1.175 259 A CA 1.085 53.177 52.037 0.092 0.000 0.627 259 A CB -0.876 18.001 19.000 -0.204 0.000 0.815 259 A HN 0.521 nan 8.150 nan 0.000 0.443 260 L N -0.930 120.289 121.223 -0.006 0.000 1.994 260 L HA -0.185 4.156 4.340 0.001 0.000 0.208 260 L C 2.723 179.519 176.870 -0.124 0.000 1.071 260 L CA 1.437 56.249 54.840 -0.046 0.000 0.745 260 L CB -0.334 41.620 42.059 -0.175 0.000 0.892 260 L HN 0.289 nan 8.230 nan 0.000 0.431 261 R N -0.047 120.294 120.500 -0.265 0.000 2.120 261 R HA -0.119 4.222 4.340 0.001 0.000 0.234 261 R C 2.076 178.449 176.300 0.121 0.000 1.123 261 R CA 1.316 57.298 56.100 -0.196 0.000 0.975 261 R CB -0.872 29.177 30.300 -0.419 0.000 0.866 261 R HN 0.488 nan 8.270 nan 0.000 0.446 262 A N 0.771 123.736 122.820 0.241 0.000 1.968 262 A HA -0.094 4.227 4.320 0.001 0.000 0.217 262 A C 2.144 179.798 177.584 0.116 0.000 1.169 262 A CA 0.754 52.946 52.037 0.260 0.000 0.638 262 A CB -0.307 18.810 19.000 0.196 0.000 0.812 262 A HN 0.229 nan 8.150 nan 0.000 0.446 263 L N -0.402 120.867 121.223 0.078 0.000 2.109 263 L HA -0.007 4.334 4.340 0.001 0.000 0.207 263 L C 2.111 179.060 176.870 0.132 0.000 1.086 263 L CA 1.515 56.402 54.840 0.078 0.000 0.760 263 L CB -0.337 41.754 42.059 0.054 0.000 0.910 263 L HN 0.371 nan 8.230 nan 0.000 0.437 264 L N -0.797 120.500 121.223 0.124 0.000 2.072 264 L HA -0.081 4.260 4.340 0.001 0.000 0.205 264 L C 2.388 179.338 176.870 0.133 0.000 1.079 264 L CA 1.302 56.237 54.840 0.158 0.000 0.752 264 L CB -0.742 41.384 42.059 0.112 0.000 0.906 264 L HN 0.464 nan 8.230 nan 0.000 0.436 265 S N -0.550 115.229 115.700 0.132 0.000 2.593 265 S HA 0.274 4.745 4.470 0.001 0.000 0.217 265 S C 0.926 175.570 174.600 0.073 0.000 0.966 265 S CA -0.116 58.156 58.200 0.120 0.000 0.914 265 S CB -0.210 63.098 63.200 0.179 0.000 0.776 265 S HN 0.210 nan 8.310 nan 0.000 0.523 266 A N 2.155 125.011 122.820 0.060 0.000 2.386 266 A HA 0.517 4.837 4.320 0.001 0.000 0.248 266 A C 0.130 177.727 177.584 0.021 0.000 1.082 266 A CA -0.580 51.468 52.037 0.018 0.000 0.789 266 A CB 0.126 19.133 19.000 0.011 0.000 1.025 266 A HN 0.450 nan 8.150 nan 0.000 0.490 267 N N 2.817 121.518 118.700 0.002 0.000 2.776 267 N HA 0.293 5.034 4.740 0.001 0.000 0.245 267 N C -2.836 172.672 175.510 -0.003 0.000 1.121 267 N CA -0.847 52.206 53.050 0.003 0.000 0.852 267 N CB 1.424 39.911 38.487 -0.000 0.000 1.142 267 N HN 0.508 nan 8.380 nan 0.000 0.514 268 P HA 0.149 nan 4.420 nan 0.000 0.272 268 P C -0.028 177.271 177.300 -0.001 0.000 1.230 268 P CA 0.067 63.168 63.100 0.002 0.000 0.788 268 P CB 1.785 33.493 31.700 0.013 0.000 0.949 269 E N 0.181 120.379 120.200 -0.003 0.000 2.434 269 E HA 0.058 4.409 4.350 0.001 0.000 0.207 269 E C 0.481 177.080 176.600 -0.002 0.000 0.929 269 E CA 0.166 56.563 56.400 -0.004 0.000 1.001 269 E CB 0.387 30.082 29.700 -0.008 0.000 1.016 269 E HN 0.521 nan 8.360 nan 0.000 0.502 270 K N -0.216 120.185 120.400 0.002 0.000 2.509 270 K HA 0.498 4.818 4.320 0.001 0.000 0.266 270 K C -0.652 175.956 176.600 0.013 0.000 0.987 270 K CA -0.795 55.495 56.287 0.004 0.000 0.868 270 K CB 1.693 34.195 32.500 0.004 0.000 1.421 270 K HN -0.279 nan 8.250 nan 0.000 0.444 271 S N 0.779 116.487 115.700 0.014 0.000 2.558 271 S HA 0.177 4.648 4.470 0.001 0.000 0.287 271 S C 0.357 174.994 174.600 0.062 0.000 1.321 271 S CA -0.235 57.986 58.200 0.034 0.000 1.048 271 S CB -0.438 62.773 63.200 0.019 0.000 0.844 271 S HN 0.524 nan 8.310 nan 0.000 0.512 272 I N -1.380 119.247 120.570 0.095 0.000 3.174 272 I HA 1.035 5.206 4.170 0.001 0.000 0.313 272 I C -0.055 176.151 176.117 0.148 0.000 1.155 272 I CA -1.096 60.261 61.300 0.094 0.000 0.977 272 I CB 2.228 40.258 38.000 0.050 0.000 1.248 272 I HN 0.689 nan 8.210 nan 0.000 0.453 273 G N 1.309 110.150 108.800 0.069 0.000 2.547 273 G HA2 0.569 4.529 3.960 0.001 0.000 0.291 273 G HA3 0.569 4.529 3.960 0.001 0.000 0.291 273 G C -2.086 172.692 174.900 -0.203 0.000 1.471 273 G CA -0.593 44.486 45.100 -0.035 0.000 0.798 273 G HN 0.598 nan 8.290 nan 0.000 0.504 274 V N 0.704 120.410 119.914 -0.346 0.000 2.588 274 V HA 0.629 4.749 4.120 0.001 0.000 0.304 274 V C -0.403 175.296 176.094 -0.660 0.000 1.042 274 V CA -0.597 61.395 62.300 -0.512 0.000 0.877 274 V CB 1.641 33.171 31.823 -0.488 0.000 0.996 274 V HN 0.669 nan 8.190 nan 0.000 0.425 275 I N 4.372 124.499 120.570 -0.739 0.000 2.418 275 I HA 0.505 4.676 4.170 0.001 0.000 0.287 275 I C -1.329 174.276 176.117 -0.854 0.000 1.008 275 I CA -0.305 60.596 61.300 -0.665 0.000 1.104 275 I CB 1.748 39.493 38.000 -0.426 0.000 1.264 275 I HN 0.411 nan 8.210 nan 0.000 0.438 276 F N 5.902 125.592 119.950 -0.434 0.000 2.361 276 F HA 0.526 5.054 4.527 0.001 0.000 0.364 276 F C -0.199 175.412 175.800 -0.315 0.000 1.117 276 F CA -0.605 57.246 58.000 -0.248 0.000 1.071 276 F CB 0.482 39.415 39.000 -0.112 0.000 1.188 276 F HN 0.174 nan 8.300 nan 0.000 0.464 277 F N 1.189 121.312 119.950 0.288 0.000 2.450 277 F HA 0.432 4.960 4.527 0.001 0.000 0.328 277 F C 0.495 176.440 175.800 0.241 0.000 1.068 277 F CA -0.648 57.508 58.000 0.260 0.000 1.007 277 F CB 0.968 40.113 39.000 0.242 0.000 1.251 277 F HN 0.348 nan 8.300 nan 0.000 0.492 278 D N -0.445 120.190 120.400 0.391 0.000 2.616 278 D HA 0.281 4.922 4.640 0.001 0.000 0.260 278 D C -0.064 176.381 176.300 0.243 0.000 1.158 278 D CA -0.522 53.635 54.000 0.262 0.000 1.085 278 D CB 1.046 41.938 40.800 0.154 0.000 1.222 278 D HN 0.264 nan 8.370 nan 0.000 0.626 279 K N -0.609 119.920 120.400 0.216 0.000 3.013 279 K HA -0.258 4.063 4.320 0.001 0.000 0.275 279 K C 0.939 177.621 176.600 0.136 0.000 1.086 279 K CA 1.367 57.778 56.287 0.207 0.000 0.814 279 K CB -1.218 31.352 32.500 0.117 0.000 1.212 279 K HN 0.526 nan 8.250 nan 0.000 0.468 280 E N 0.662 120.934 120.200 0.121 0.000 2.107 280 E HA -0.114 4.237 4.350 0.001 0.000 0.191 280 E C 1.092 177.645 176.600 -0.078 0.000 0.982 280 E CA 1.405 57.797 56.400 -0.013 0.000 0.809 280 E CB 0.006 29.606 29.700 -0.166 0.000 0.756 280 E HN 0.330 nan 8.360 nan 0.000 0.459 281 E N 0.131 120.290 120.200 -0.070 0.000 2.515 281 E HA -0.057 4.294 4.350 0.001 0.000 0.201 281 E C 1.082 177.542 176.600 -0.232 0.000 1.071 281 E CA 0.829 57.141 56.400 -0.147 0.000 0.880 281 E CB 0.054 29.650 29.700 -0.173 0.000 0.828 281 E HN 0.664 nan 8.360 nan 0.000 0.540 282 I N -5.262 115.210 120.570 -0.163 0.000 4.102 282 I HA 0.475 4.645 4.170 0.001 0.000 0.325 282 I C 1.019 177.113 176.117 -0.037 0.000 1.471 282 I CA 0.020 61.235 61.300 -0.143 0.000 1.133 282 I CB 0.993 38.898 38.000 -0.158 0.000 1.184 282 I HN -0.070 nan 8.210 nan 0.000 0.451 283 G N 0.365 109.167 108.800 0.002 0.000 2.154 283 G HA2 -0.208 3.753 3.960 0.001 0.000 0.186 283 G HA3 -0.208 3.753 3.960 0.001 0.000 0.186 283 G C 0.563 175.469 174.900 0.010 0.000 1.000 283 G CA -0.195 44.938 45.100 0.055 0.000 0.664 283 G HN 0.552 nan 8.290 nan 0.000 0.513 284 S N 0.030 115.709 115.700 -0.035 0.000 3.641 284 S HA -0.163 4.308 4.470 0.001 0.000 0.346 284 S C 0.159 174.640 174.600 -0.199 0.000 1.074 284 S CA 1.373 59.479 58.200 -0.156 0.000 1.026 284 S CB -1.001 61.953 63.200 -0.410 0.000 0.908 284 S HN 0.828 nan 8.310 nan 0.000 0.479 285 D N 0.736 121.081 120.400 -0.090 0.000 2.229 285 D HA 0.628 5.269 4.640 0.001 0.000 0.249 285 D C 0.832 177.109 176.300 -0.038 0.000 1.027 285 D CA 1.015 54.969 54.000 -0.077 0.000 0.923 285 D CB 1.686 42.461 40.800 -0.042 0.000 1.174 285 D HN 0.648 nan 8.370 nan 0.000 0.443 286 G N 1.236 110.015 108.800 -0.036 0.000 2.525 286 G HA2 -0.217 3.743 3.960 0.001 0.000 0.685 286 G HA3 -0.217 3.743 3.960 0.001 0.000 0.685 286 G C 0.460 175.359 174.900 -0.002 0.000 1.290 286 G CA -0.406 44.686 45.100 -0.013 0.000 0.915 286 G HN 0.537 nan 8.290 nan 0.000 0.548 287 N N -0.599 118.103 118.700 0.005 0.000 2.166 287 N HA -0.103 4.637 4.740 0.001 0.000 0.186 287 N C 2.271 177.800 175.510 0.032 0.000 1.019 287 N CA 1.873 54.931 53.050 0.014 0.000 0.856 287 N CB -0.061 38.419 38.487 -0.012 0.000 0.993 287 N HN 0.832 nan 8.380 nan 0.000 0.426 288 T N -2.441 112.132 114.554 0.033 0.000 3.122 288 T HA 0.250 4.601 4.350 0.001 0.000 0.250 288 T C 0.861 175.690 174.700 0.215 0.000 1.067 288 T CA -0.575 61.567 62.100 0.069 0.000 0.966 288 T CB 0.199 69.080 68.868 0.022 0.000 1.002 288 T HN 0.076 nan 8.240 nan 0.000 0.542 289 G N 0.315 109.204 108.800 0.148 0.000 2.621 289 G HA2 0.519 4.480 3.960 0.001 0.000 0.271 289 G HA3 0.519 4.480 3.960 0.001 0.000 0.271 289 G C 1.096 176.007 174.900 0.018 0.000 1.236 289 G CA -0.402 44.753 45.100 0.092 0.000 0.958 289 G HN 0.347 nan 8.290 nan 0.000 0.512 290 A N -0.797 121.784 122.820 -0.399 0.000 2.209 290 A HA 0.094 4.415 4.320 0.001 0.000 0.212 290 A C 1.666 178.769 177.584 -0.801 0.000 1.158 290 A CA 1.529 52.928 52.037 -1.064 0.000 0.742 290 A CB -0.257 18.306 19.000 -0.728 0.000 0.790 290 A HN 0.654 nan 8.150 nan 0.000 0.472 291 K N -1.668 118.375 120.400 -0.595 0.000 2.592 291 K HA 0.558 4.879 4.320 0.001 0.000 0.203 291 K C 0.389 176.872 176.600 -0.195 0.000 1.070 291 K CA 0.459 56.470 56.287 -0.459 0.000 1.062 291 K CB 0.386 32.476 32.500 -0.683 0.000 0.814 291 K HN 0.107 nan 8.250 nan 0.000 0.502 292 A N 2.225 125.007 122.820 -0.063 0.000 2.579 292 A HA 0.194 4.515 4.320 0.001 0.000 0.273 292 A C 1.137 178.801 177.584 0.133 0.000 1.363 292 A CA 0.209 52.273 52.037 0.045 0.000 0.953 292 A CB -0.728 18.325 19.000 0.087 0.000 1.034 292 A HN 0.669 nan 8.150 nan 0.000 0.536 293 R N -2.849 117.717 120.500 0.111 0.000 4.037 293 R HA -0.325 4.015 4.340 0.001 0.000 0.418 293 R C 1.093 177.524 176.300 0.219 0.000 0.701 293 R CA 2.155 58.331 56.100 0.127 0.000 1.660 293 R CB -2.490 27.864 30.300 0.091 0.000 2.238 293 R HN 0.725 nan 8.270 nan 0.000 0.429 294 F N 0.906 120.947 119.950 0.152 0.000 2.091 294 F HA -0.244 4.284 4.527 0.001 0.000 0.299 294 F C 1.969 177.934 175.800 0.276 0.000 1.103 294 F CA 2.319 60.438 58.000 0.198 0.000 1.228 294 F CB -1.016 38.121 39.000 0.229 0.000 0.984 294 F HN 0.309 nan 8.300 nan 0.000 0.477 295 Y N 1.031 121.326 120.300 -0.008 0.000 2.053 295 Y HA -0.260 4.290 4.550 0.002 0.000 0.277 295 Y C 2.114 177.982 175.900 -0.052 0.000 1.159 295 Y CA 2.316 60.380 58.100 -0.060 0.000 1.125 295 Y CB -0.983 37.571 38.460 0.157 0.000 0.969 295 Y HN 0.179 nan 8.280 nan 0.000 0.492 296 L N 0.275 121.335 121.223 -0.272 0.000 2.217 296 L HA -0.137 4.204 4.340 0.001 0.000 0.211 296 L C 2.602 179.352 176.870 -0.200 0.000 1.107 296 L CA 1.350 55.966 54.840 -0.373 0.000 0.783 296 L CB -0.561 41.351 42.059 -0.245 0.000 0.919 296 L HN 0.184 nan 8.230 nan 0.000 0.442 297 K N 0.887 121.233 120.400 -0.090 0.000 2.097 297 K HA -0.182 4.139 4.320 0.001 0.000 0.206 297 K C 2.109 178.671 176.600 -0.064 0.000 1.049 297 K CA 1.332 57.602 56.287 -0.029 0.000 0.933 297 K CB 0.015 32.562 32.500 0.080 0.000 0.717 297 K HN 0.268 nan 8.250 nan 0.000 0.442 298 A N 1.435 124.182 122.820 -0.123 0.000 1.898 298 A HA -0.077 4.244 4.320 0.001 0.000 0.216 298 A C 2.120 179.567 177.584 -0.229 0.000 1.181 298 A CA 1.024 52.991 52.037 -0.117 0.000 0.620 298 A CB -0.509 18.453 19.000 -0.064 0.000 0.819 298 A HN 0.284 nan 8.150 nan 0.000 0.442 299 L N -1.187 119.865 121.223 -0.285 0.000 2.046 299 L HA -0.181 4.160 4.340 0.001 0.000 0.208 299 L C 2.879 179.607 176.870 -0.236 0.000 1.077 299 L CA 1.501 56.140 54.840 -0.335 0.000 0.747 299 L CB -0.603 41.248 42.059 -0.347 0.000 0.896 299 L HN 0.373 nan 8.230 nan 0.000 0.432 300 R N -0.275 120.119 120.500 -0.177 0.000 2.081 300 R HA -0.223 4.118 4.340 0.001 0.000 0.235 300 R C 2.350 178.593 176.300 -0.095 0.000 1.131 300 R CA 1.558 57.588 56.100 -0.117 0.000 0.960 300 R CB -0.253 29.998 30.300 -0.081 0.000 0.856 300 R HN 0.239 nan 8.270 nan 0.000 0.436 301 Q N 1.197 120.943 119.800 -0.089 0.000 2.045 301 Q HA -0.160 4.181 4.340 0.001 0.000 0.206 301 Q C 1.835 177.786 176.000 -0.082 0.000 0.991 301 Q CA 1.829 57.597 55.803 -0.059 0.000 0.851 301 Q CB -0.353 28.365 28.738 -0.034 0.000 0.911 301 Q HN 0.384 nan 8.270 nan 0.000 0.418 302 I N -0.241 120.238 120.570 -0.151 0.000 2.286 302 I HA -0.281 3.889 4.170 0.001 0.000 0.248 302 I C 2.211 178.251 176.117 -0.129 0.000 1.115 302 I CA 0.853 62.048 61.300 -0.175 0.000 1.392 302 I CB -0.332 37.481 38.000 -0.310 0.000 1.065 302 I HN 0.228 nan 8.210 nan 0.000 0.418 303 L N 0.298 121.444 121.223 -0.128 0.000 2.017 303 L HA -0.184 4.156 4.340 0.001 0.000 0.208 303 L C 1.646 178.483 176.870 -0.055 0.000 1.073 303 L CA 1.081 55.866 54.840 -0.093 0.000 0.745 303 L CB -0.477 41.527 42.059 -0.093 0.000 0.894 303 L HN 0.142 nan 8.230 nan 0.000 0.432 307 G N 0.973 109.771 108.800 -0.004 0.000 2.163 307 G HA2 -0.187 3.774 3.960 0.001 0.000 0.213 307 G HA3 -0.187 3.774 3.960 0.001 0.000 0.213 307 G C 0.253 175.154 174.900 0.002 0.000 0.991 307 G CA -0.132 44.969 45.100 0.001 0.000 0.653 307 G HN 0.537 nan 8.290 nan 0.000 0.518 308 A N 0.622 123.439 122.820 -0.005 0.000 2.545 308 A HA 0.500 4.820 4.320 0.001 0.000 0.253 308 A C 1.606 179.199 177.584 0.015 0.000 1.074 308 A CA 1.323 53.361 52.037 0.001 0.000 0.760 308 A CB 0.358 19.348 19.000 -0.017 0.000 1.005 308 A HN 0.547 nan 8.150 nan 0.000 0.506 309 K N 2.064 122.485 120.400 0.033 0.000 2.121 309 K HA 0.048 4.369 4.320 0.001 0.000 0.203 309 K C -0.103 176.521 176.600 0.041 0.000 1.041 309 K CA 0.698 57.005 56.287 0.033 0.000 0.969 309 K CB -0.046 32.475 32.500 0.036 0.000 0.799 309 K HN 0.600 nan 8.250 nan 0.000 0.456 310 D N 1.745 122.192 120.400 0.078 0.000 2.479 310 D HA 0.232 4.873 4.640 0.001 0.000 0.247 310 D C 0.079 176.442 176.300 0.105 0.000 1.119 310 D CA -0.133 53.923 54.000 0.093 0.000 0.922 310 D CB 1.170 42.046 40.800 0.127 0.000 1.014 310 D HN -0.028 nan 8.370 nan 0.000 0.510 311 S N 2.538 118.266 115.700 0.047 0.000 2.380 311 S HA -0.269 4.202 4.470 0.001 0.000 0.229 311 S C 1.605 176.213 174.600 0.013 0.000 1.050 311 S CA 1.438 59.646 58.200 0.014 0.000 1.100 311 S CB -0.022 63.175 63.200 -0.005 0.000 0.984 311 S HN 0.529 nan 8.310 nan 0.000 0.434 312 E N 0.382 120.603 120.200 0.035 0.000 2.110 312 E HA -0.103 4.248 4.350 0.001 0.000 0.193 312 E C 1.657 178.299 176.600 0.071 0.000 0.988 312 E CA 0.900 57.321 56.400 0.034 0.000 0.804 312 E CB -0.365 29.361 29.700 0.043 0.000 0.745 312 E HN 0.500 nan 8.360 nan 0.000 0.458 313 F N -0.057 119.876 119.950 -0.028 0.000 2.084 313 F HA -0.154 4.374 4.527 0.001 0.000 0.296 313 F C 2.046 177.829 175.800 -0.028 0.000 1.111 313 F CA 1.251 59.236 58.000 -0.025 0.000 1.224 313 F CB -0.745 38.242 39.000 -0.021 0.000 0.991 313 F HN -0.097 nan 8.300 nan 0.000 0.471 314 V N 1.043 120.833 119.914 -0.206 0.000 2.332 314 V HA -0.325 3.796 4.120 0.001 0.000 0.248 314 V C 2.681 178.624 176.094 -0.252 0.000 1.055 314 V CA 1.988 64.107 62.300 -0.303 0.000 1.038 314 V CB -0.883 30.876 31.823 -0.108 0.000 0.651 314 V HN 0.470 nan 8.190 nan 0.000 0.450 315 L N -0.148 120.980 121.223 -0.158 0.000 2.081 315 L HA -0.259 4.082 4.340 0.001 0.000 0.212 315 L C 2.443 179.225 176.870 -0.147 0.000 1.080 315 L CA 1.909 56.666 54.840 -0.140 0.000 0.754 315 L CB -0.633 41.360 42.059 -0.110 0.000 0.893 315 L HN 0.433 nan 8.230 nan 0.000 0.433 316 D N -0.387 119.913 120.400 -0.167 0.000 2.149 316 D HA -0.284 4.357 4.640 0.001 0.000 0.194 316 D C 1.957 178.161 176.300 -0.159 0.000 1.001 316 D CA 1.608 55.520 54.000 -0.146 0.000 0.849 316 D CB 0.047 40.756 40.800 -0.152 0.000 0.939 316 D HN 0.502 nan 8.370 nan 0.000 0.449 317 E N 0.197 120.260 120.200 -0.229 0.000 2.086 317 E HA -0.087 4.264 4.350 0.001 0.000 0.190 317 E C 2.245 178.770 176.600 -0.124 0.000 0.975 317 E CA 0.214 56.506 56.400 -0.180 0.000 0.813 317 E CB 0.271 29.836 29.700 -0.225 0.000 0.768 317 E HN -0.045 nan 8.360 nan 0.000 0.457 318 V N 1.612 121.448 119.914 -0.130 0.000 2.250 318 V HA -0.315 3.806 4.120 0.001 0.000 0.250 318 V C 2.420 178.478 176.094 -0.059 0.000 1.060 318 V CA 1.796 64.039 62.300 -0.095 0.000 1.030 318 V CB -0.459 31.296 31.823 -0.112 0.000 0.643 318 V HN 0.347 nan 8.190 nan 0.000 0.445 319 L N -0.577 120.611 121.223 -0.058 0.000 2.313 319 L HA -0.087 4.254 4.340 0.001 0.000 0.214 319 L C 2.498 179.358 176.870 -0.018 0.000 1.119 319 L CA 0.970 55.803 54.840 -0.013 0.000 0.809 319 L CB -0.486 41.569 42.059 -0.007 0.000 0.933 319 L HN 0.328 nan 8.230 nan 0.000 0.449 320 E N 0.649 120.823 120.200 -0.044 0.000 2.051 320 E HA -0.109 4.242 4.350 0.001 0.000 0.192 320 E C 0.902 177.479 176.600 -0.037 0.000 0.991 320 E CA 1.008 57.382 56.400 -0.045 0.000 0.799 320 E CB 0.112 29.776 29.700 -0.060 0.000 0.748 320 E HN 0.401 nan 8.360 nan 0.000 0.449 321 N N -0.548 118.131 118.700 -0.034 0.000 2.431 321 N HA 0.165 4.906 4.740 0.001 0.000 0.289 321 N C -0.687 174.818 175.510 -0.007 0.000 1.277 321 N CA 0.630 53.668 53.050 -0.020 0.000 0.972 321 N CB 0.310 38.784 38.487 -0.022 0.000 1.143 321 N HN -0.019 nan 8.380 nan 0.000 0.578 322 T N -0.138 114.422 114.554 0.011 0.000 0.822 322 T HA -0.092 4.259 4.350 0.001 0.000 0.747 322 T C -1.123 173.586 174.700 0.015 0.000 0.986 322 T CA -0.187 61.932 62.100 0.032 0.000 3.943 322 T CB -0.959 67.942 68.868 0.055 0.000 2.233 322 T HN 0.500 nan 8.240 nan 0.000 0.397 323 S N 2.340 118.066 115.700 0.044 0.000 2.451 323 S HA 0.692 5.163 4.470 0.001 0.000 0.301 323 S C 0.239 174.868 174.600 0.049 0.000 1.116 323 S CA -0.898 57.336 58.200 0.056 0.000 1.093 323 S CB 1.832 65.194 63.200 0.270 0.000 1.017 323 S HN 0.645 nan 8.310 nan 0.000 0.482 324 V N 4.289 124.193 119.914 -0.016 0.000 2.448 324 V HA 0.445 4.565 4.120 0.001 0.000 0.295 324 V C -0.438 175.640 176.094 -0.026 0.000 1.025 324 V CA -0.558 61.703 62.300 -0.065 0.000 0.859 324 V CB 1.342 33.076 31.823 -0.148 0.000 0.988 324 V HN 0.799 nan 8.190 nan 0.000 0.431 325 I N 3.689 124.200 120.570 -0.097 0.000 2.307 325 I HA 0.268 4.439 4.170 0.001 0.000 0.289 325 I C 0.570 176.552 176.117 -0.224 0.000 1.021 325 I CA 0.034 61.275 61.300 -0.098 0.000 1.224 325 I CB 1.634 39.554 38.000 -0.133 0.000 1.376 325 I HN 0.608 nan 8.210 nan 0.000 0.470 326 S N 4.905 120.508 115.700 -0.162 0.000 2.455 326 S HA 0.337 4.808 4.470 0.001 0.000 0.278 326 S C 0.999 175.538 174.600 -0.101 0.000 1.216 326 S CA -0.245 57.846 58.200 -0.182 0.000 1.055 326 S CB 0.693 63.830 63.200 -0.106 0.000 0.939 326 S HN 0.781 nan 8.310 nan 0.000 0.494 327 G N 3.347 112.067 108.800 -0.133 0.000 2.609 327 G HA2 0.076 4.037 3.960 0.001 0.000 0.167 327 G HA3 0.076 4.037 3.960 0.001 0.000 0.167 327 G C -0.085 174.862 174.900 0.078 0.000 1.668 327 G CA 0.434 45.517 45.100 -0.028 0.000 0.886 327 G HN 0.861 nan 8.290 nan 0.000 0.378 328 D N -1.323 119.134 120.400 0.096 0.000 10.832 328 D HA -0.114 4.527 4.640 0.001 0.000 0.342 328 D C 0.422 176.789 176.300 0.111 0.000 3.077 328 D CA 0.770 54.847 54.000 0.130 0.000 2.665 328 D CB -0.416 40.495 40.800 0.185 0.000 1.151 328 D HN 0.817 nan 8.370 nan 0.000 0.920 329 V N 0.579 120.558 119.914 0.109 0.000 3.214 329 V HA 0.752 4.873 4.120 0.001 0.000 0.306 329 V C 1.191 177.330 176.094 0.076 0.000 1.078 329 V CA 0.050 62.401 62.300 0.084 0.000 1.077 329 V CB 1.288 33.160 31.823 0.082 0.000 1.121 329 V HN 0.981 nan 8.190 nan 0.000 0.468 330 C N 0.782 120.116 119.300 0.058 0.000 3.017 330 C HA 1.012 5.473 4.460 0.001 0.000 0.380 330 C C 0.328 175.356 174.990 0.062 0.000 1.583 330 C CA -0.346 58.703 59.018 0.052 0.000 1.616 330 C CB 0.963 28.724 27.740 0.035 0.000 2.145 330 C HN 1.648 nan 8.230 nan 0.000 0.466 331 A N 0.508 123.381 122.820 0.088 0.000 2.287 331 A HA 0.799 5.120 4.320 0.001 0.000 0.317 331 A C 0.151 177.787 177.584 0.086 0.000 1.220 331 A CA 0.242 52.356 52.037 0.129 0.000 0.835 331 A CB 0.258 19.376 19.000 0.197 0.000 1.180 331 A HN 1.975 nan 8.150 nan 0.000 0.500 332 A N 1.618 124.467 122.820 0.048 0.000 2.287 332 A HA 0.593 4.914 4.320 0.001 0.000 0.273 332 A C 0.558 178.103 177.584 -0.064 0.000 1.091 332 A CA 0.074 52.087 52.037 -0.039 0.000 0.817 332 A CB 0.097 19.108 19.000 0.018 0.000 1.069 332 A HN 2.012 nan 8.150 nan 0.000 0.492 333 V N 0.031 119.851 119.914 -0.157 0.000 2.521 333 V HA 0.261 4.382 4.120 0.001 0.000 0.286 333 V C 0.139 176.277 176.094 0.074 0.000 1.034 333 V CA -0.144 62.118 62.300 -0.064 0.000 1.045 333 V CB 0.200 31.967 31.823 -0.093 0.000 0.974 333 V HN 0.808 nan 8.190 nan 0.000 0.480 334 N N 5.294 124.101 118.700 0.177 0.000 2.609 334 N HA 0.379 5.120 4.740 0.001 0.000 0.234 334 N C -1.801 173.781 175.510 0.121 0.000 1.001 334 N CA -1.765 51.398 53.050 0.189 0.000 0.926 334 N CB 1.480 40.170 38.487 0.338 0.000 1.130 334 N HN 0.449 nan 8.380 nan 0.000 0.510 335 P HA -0.285 nan 4.420 nan 0.000 0.224 335 P C -1.533 175.706 177.300 -0.101 0.000 1.130 335 P CA 2.038 65.128 63.100 -0.018 0.000 0.976 335 P CB -0.677 31.008 31.700 -0.026 0.000 0.781 336 P HA -0.153 nan 4.420 nan 0.000 0.223 336 P C 0.140 177.050 177.300 -0.651 0.000 1.144 336 P CA 1.687 64.474 63.100 -0.523 0.000 0.783 336 P CB -0.430 30.806 31.700 -0.774 0.000 0.771 337 Y N -0.343 119.996 120.300 0.065 0.000 2.698 337 Y HA 0.262 4.813 4.550 0.001 0.000 0.261 337 Y C 1.869 177.821 175.900 0.085 0.000 1.104 337 Y CA -0.742 57.398 58.100 0.066 0.000 1.145 337 Y CB 0.029 38.531 38.460 0.069 0.000 1.191 337 Y HN -0.077 nan 8.280 nan 0.000 0.564 338 K N -1.089 119.400 120.400 0.148 0.000 2.360 338 K HA -0.140 4.181 4.320 0.001 0.000 0.201 338 K C 0.428 177.116 176.600 0.148 0.000 1.046 338 K CA 1.714 58.099 56.287 0.163 0.000 0.945 338 K CB 0.031 32.584 32.500 0.088 0.000 0.750 338 K HN 0.111 nan 8.250 nan 0.000 0.464 339 D N 1.413 121.879 120.400 0.111 0.000 2.182 339 D HA -0.117 4.524 4.640 0.001 0.000 0.201 339 D C 1.851 178.191 176.300 0.067 0.000 0.986 339 D CA 0.681 54.730 54.000 0.082 0.000 0.847 339 D CB -0.138 40.704 40.800 0.070 0.000 0.942 339 D HN 0.033 nan 8.370 nan 0.000 0.467 340 V N 0.713 120.661 119.914 0.057 0.000 2.469 340 V HA -0.185 3.936 4.120 0.001 0.000 0.251 340 V C 1.006 177.011 176.094 -0.148 0.000 1.064 340 V CA 1.360 63.625 62.300 -0.058 0.000 1.066 340 V CB -0.255 31.505 31.823 -0.105 0.000 0.667 340 V HN 0.327 nan 8.190 nan 0.000 0.461 341 H N -0.771 118.329 119.070 0.051 0.000 2.559 341 H HA 0.369 4.926 4.556 0.002 0.000 0.343 341 H C -0.710 174.638 175.328 0.034 0.000 1.209 341 H CA -0.603 55.467 56.048 0.036 0.000 1.287 341 H CB 1.480 31.261 29.762 0.032 0.000 1.650 341 H HN 0.156 nan 8.280 nan 0.000 0.567 342 D N 2.062 122.582 120.400 0.200 0.000 2.473 342 D HA 0.051 4.692 4.640 0.001 0.000 0.226 342 D C 0.957 177.321 176.300 0.107 0.000 1.089 342 D CA -0.471 53.604 54.000 0.125 0.000 0.883 342 D CB 0.292 41.156 40.800 0.107 0.000 1.029 342 D HN 0.151 nan 8.370 nan 0.000 0.517 343 L N 2.864 124.141 121.223 0.089 0.000 2.103 343 L HA -0.199 4.142 4.340 0.001 0.000 0.215 343 L C 1.882 178.780 176.870 0.047 0.000 1.080 343 L CA 1.630 56.495 54.840 0.042 0.000 0.764 343 L CB -1.677 40.401 42.059 0.032 0.000 0.890 343 L HN 0.660 nan 8.230 nan 0.000 0.435 344 H N -0.171 118.887 119.070 -0.021 0.000 2.521 344 H HA 0.005 4.561 4.556 0.001 0.000 0.286 344 H C 1.194 176.505 175.328 -0.029 0.000 1.034 344 H CA 1.091 57.121 56.048 -0.030 0.000 1.278 344 H CB 0.195 29.949 29.762 -0.014 0.000 1.386 344 H HN 0.325 nan 8.280 nan 0.000 0.567 345 N N -0.181 118.498 118.700 -0.035 0.000 2.365 345 N HA 0.265 5.006 4.740 0.001 0.000 0.257 345 N C -1.021 174.454 175.510 -0.059 0.000 1.287 345 N CA 0.339 53.343 53.050 -0.078 0.000 0.882 345 N CB 1.194 39.672 38.487 -0.015 0.000 1.250 345 N HN 0.173 nan 8.380 nan 0.000 0.507 346 A N 1.755 124.522 122.820 -0.088 0.000 2.355 346 A HA 0.636 4.957 4.320 0.001 0.000 0.317 346 A C -2.561 174.911 177.584 -0.188 0.000 1.094 346 A CA -1.419 50.523 52.037 -0.159 0.000 0.764 346 A CB 1.598 20.429 19.000 -0.281 0.000 1.230 346 A HN -0.099 nan 8.150 nan 0.000 0.448 347 P HA 0.285 nan 4.420 nan 0.000 0.275 347 P C -1.085 176.147 177.300 -0.114 0.000 1.227 347 P CA -0.106 62.926 63.100 -0.112 0.000 0.781 347 P CB 0.993 32.658 31.700 -0.058 0.000 0.906 348 K N 2.567 122.932 120.400 -0.057 0.000 2.156 348 K HA 0.421 4.742 4.320 0.001 0.000 0.254 348 K C 0.212 176.910 176.600 0.162 0.000 0.950 348 K CA -1.158 55.129 56.287 -0.001 0.000 0.849 348 K CB 1.496 33.913 32.500 -0.139 0.000 1.100 348 K HN 0.515 nan 8.250 nan 0.000 0.434 349 L N 1.410 122.727 121.223 0.156 0.000 2.534 349 L HA 0.020 4.361 4.340 0.001 0.000 0.271 349 L C 1.207 178.212 176.870 0.225 0.000 1.178 349 L CA 0.829 55.767 54.840 0.163 0.000 0.907 349 L CB -0.156 41.980 42.059 0.128 0.000 1.164 349 L HN 1.070 nan 8.230 nan 0.000 0.482 350 G N 2.930 111.814 108.800 0.140 0.000 2.132 350 G HA2 -0.316 3.645 3.960 0.001 0.000 0.234 350 G HA3 -0.316 3.645 3.960 0.001 0.000 0.234 350 G C -0.006 174.759 174.900 -0.226 0.000 0.989 350 G CA -0.310 44.801 45.100 0.018 0.000 0.676 350 G HN 0.639 nan 8.290 nan 0.000 0.522 351 Y N 0.873 121.168 120.300 -0.009 0.000 2.734 351 Y HA 0.483 5.034 4.550 0.002 0.000 0.278 351 Y C 1.410 177.273 175.900 -0.061 0.000 1.108 351 Y CA 0.484 58.561 58.100 -0.038 0.000 1.211 351 Y CB 0.697 39.125 38.460 -0.052 0.000 1.182 351 Y HN 1.159 nan 8.280 nan 0.000 0.547 352 G N -0.569 108.231 108.800 0.001 0.000 2.661 352 G HA2 -0.144 3.817 3.960 0.001 0.000 0.685 352 G HA3 -0.144 3.817 3.960 0.001 0.000 0.685 352 G C -0.916 173.990 174.900 0.010 0.000 1.298 352 G CA -0.962 44.133 45.100 -0.008 0.000 0.855 352 G HN 0.028 nan 8.290 nan 0.000 0.560 353 V N 0.766 120.678 119.914 -0.002 0.000 2.694 353 V HA 0.403 4.523 4.120 0.001 0.000 0.306 353 V C 1.439 177.565 176.094 0.054 0.000 1.054 353 V CA 0.683 62.966 62.300 -0.028 0.000 1.161 353 V CB 0.742 32.505 31.823 -0.101 0.000 0.916 353 V HN 2.040 nan 8.190 nan 0.000 0.490 354 A N 5.930 128.767 122.820 0.027 0.000 2.328 354 A HA 0.616 4.937 4.320 0.001 0.000 0.284 354 A C -0.383 177.230 177.584 0.047 0.000 1.160 354 A CA -0.373 51.694 52.037 0.051 0.000 0.818 354 A CB 0.285 19.298 19.000 0.023 0.000 1.087 354 A HN 0.926 nan 8.150 nan 0.000 0.504 355 L N 4.604 125.877 121.223 0.085 0.000 2.283 355 L HA 0.493 4.834 4.340 0.001 0.000 0.281 355 L C -1.114 175.755 176.870 -0.003 0.000 1.033 355 L CA -0.552 54.300 54.840 0.019 0.000 0.848 355 L CB 0.873 42.929 42.059 -0.005 0.000 1.226 355 L HN 0.431 nan 8.230 nan 0.000 0.429 356 V N 5.454 125.349 119.914 -0.031 0.000 2.364 356 V HA 0.162 4.282 4.120 0.001 0.000 0.272 356 V C 1.007 177.054 176.094 -0.077 0.000 1.036 356 V CA -0.426 61.827 62.300 -0.078 0.000 0.880 356 V CB 1.192 32.975 31.823 -0.067 0.000 0.991 356 V HN 0.786 nan 8.190 nan 0.000 0.460 357 K N 4.384 124.713 120.400 -0.118 0.000 2.116 357 K HA 0.011 4.332 4.320 0.001 0.000 0.203 357 K C 0.021 176.670 176.600 0.082 0.000 1.052 357 K CA 1.021 57.307 56.287 -0.001 0.000 0.952 357 K CB 0.249 32.803 32.500 0.090 0.000 0.729 357 K HN 0.800 nan 8.250 nan 0.000 0.446 358 Y N -1.940 118.357 120.300 -0.005 0.000 2.519 358 Y HA 0.322 4.872 4.550 0.001 0.000 0.336 358 Y C -1.168 174.728 175.900 -0.007 0.000 1.089 358 Y CA -1.316 56.774 58.100 -0.016 0.000 1.025 358 Y CB 1.081 39.525 38.460 -0.027 0.000 1.318 358 Y HN -0.109 nan 8.280 nan 0.000 0.452 359 T N 0.669 115.293 114.554 0.117 0.000 3.400 359 T HA 0.549 4.900 4.350 0.001 0.000 0.362 359 T C 0.820 175.591 174.700 0.119 0.000 1.823 359 T CA -0.156 61.983 62.100 0.065 0.000 1.374 359 T CB -0.135 68.754 68.868 0.034 0.000 1.130 359 T HN 1.180 nan 8.240 nan 0.000 0.744 360 G N 1.481 110.407 108.800 0.210 0.000 2.277 360 G HA2 0.430 4.390 3.960 0.001 0.000 0.379 360 G HA3 0.430 4.390 3.960 0.001 0.000 0.379 360 G C 0.113 175.053 174.900 0.067 0.000 1.354 360 G CA -0.342 44.847 45.100 0.149 0.000 1.158 360 G HN 1.794 nan 8.290 nan 0.000 0.629 361 A N -2.293 120.539 122.820 0.020 0.000 1.164 361 A HA 0.490 4.811 4.320 0.001 0.000 0.207 361 A C 0.457 178.011 177.584 -0.050 0.000 0.935 361 A CA 0.339 52.391 52.037 0.025 0.000 0.636 361 A CB -0.537 18.509 19.000 0.078 0.000 0.522 361 A HN 1.328 nan 8.150 nan 0.000 0.322 362 R N 0.789 121.256 120.500 -0.055 0.000 3.184 362 R HA -0.151 4.190 4.340 0.001 0.000 0.242 362 R C 1.135 177.170 176.300 -0.442 0.000 0.907 362 R CA 2.073 58.101 56.100 -0.119 0.000 0.618 362 R CB -1.306 29.022 30.300 0.046 0.000 1.016 362 R HN 2.674 nan 8.270 nan 0.000 0.469 363 G N 0.112 108.681 108.800 -0.385 0.000 2.167 363 G HA2 -0.288 3.673 3.960 0.001 0.000 0.194 363 G HA3 -0.288 3.673 3.960 0.001 0.000 0.194 363 G C 0.101 174.658 174.900 -0.571 0.000 1.027 363 G CA -0.040 44.754 45.100 -0.510 0.000 0.717 363 G HN 0.440 nan 8.290 nan 0.000 0.501 364 K N -2.098 118.096 120.400 -0.345 0.000 3.117 364 K HA -0.205 4.116 4.320 0.001 0.000 0.269 364 K C -0.163 176.381 176.600 -0.093 0.000 1.098 364 K CA 1.001 57.171 56.287 -0.195 0.000 0.785 364 K CB -1.461 30.891 32.500 -0.246 0.000 1.242 364 K HN 0.533 nan 8.250 nan 0.000 0.491 365 Y N 0.648 120.944 120.300 -0.007 0.000 2.319 365 Y HA 0.110 4.661 4.550 0.000 0.000 0.328 365 Y C 1.284 177.177 175.900 -0.012 0.000 1.133 365 Y CA -0.701 57.392 58.100 -0.011 0.000 1.265 365 Y CB 1.450 39.908 38.460 -0.003 0.000 1.218 365 Y HN 0.224 nan 8.280 nan 0.000 0.508 366 S N 1.039 116.832 115.700 0.155 0.000 3.706 366 S HA -0.152 4.319 4.470 0.001 0.000 0.363 366 S C 0.003 174.606 174.600 0.006 0.000 0.999 366 S CA 1.026 59.256 58.200 0.050 0.000 1.143 366 S CB -1.792 61.434 63.200 0.043 0.000 0.902 366 S HN 0.764 nan 8.310 nan 0.000 0.476 367 T N 1.323 115.882 114.554 0.008 0.000 2.888 367 T HA 0.502 4.853 4.350 0.001 0.000 0.288 367 T C -0.114 174.568 174.700 -0.031 0.000 1.063 367 T CA -0.872 61.223 62.100 -0.008 0.000 1.010 367 T CB 1.267 70.162 68.868 0.046 0.000 1.214 367 T HN 0.316 nan 8.240 nan 0.000 0.533 368 N N 1.932 120.615 118.700 -0.028 0.000 2.621 368 N HA 0.098 4.839 4.740 0.001 0.000 0.237 368 N C -1.610 173.893 175.510 -0.011 0.000 0.997 368 N CA -0.272 52.752 53.050 -0.043 0.000 0.918 368 N CB 0.819 39.273 38.487 -0.054 0.000 1.122 368 N HN 0.502 nan 8.380 nan 0.000 0.510 369 D N 2.651 123.029 120.400 -0.037 0.000 2.325 369 D HA 0.255 4.896 4.640 0.001 0.000 0.251 369 D C -0.150 176.073 176.300 -0.128 0.000 1.196 369 D CA -0.196 53.797 54.000 -0.011 0.000 0.866 369 D CB 1.164 41.922 40.800 -0.070 0.000 1.101 369 D HN 0.555 nan 8.370 nan 0.000 0.476 370 A N 4.824 127.624 122.820 -0.034 0.000 2.445 370 A HA 0.159 4.480 4.320 0.001 0.000 0.242 370 A C 0.259 177.796 177.584 -0.078 0.000 1.075 370 A CA -0.189 51.823 52.037 -0.041 0.000 0.777 370 A CB 0.166 19.248 19.000 0.137 0.000 1.013 370 A HN 0.669 nan 8.150 nan 0.000 0.493 371 H N 1.363 120.519 119.070 0.143 0.000 2.732 371 H HA 0.251 4.808 4.556 0.002 0.000 0.351 371 H C 1.587 176.986 175.328 0.120 0.000 1.090 371 H CA 0.487 56.602 56.048 0.112 0.000 1.431 371 H CB 1.131 30.949 29.762 0.094 0.000 1.447 371 H HN 0.800 nan 8.280 nan 0.000 0.582 372 A N 3.740 126.682 122.820 0.203 0.000 1.892 372 A HA -0.236 4.085 4.320 0.001 0.000 0.218 372 A C 2.066 179.715 177.584 0.109 0.000 1.188 372 A CA 1.827 53.938 52.037 0.122 0.000 0.631 372 A CB -0.281 18.775 19.000 0.093 0.000 0.822 372 A HN 0.816 nan 8.150 nan 0.000 0.447 373 E N -0.880 119.399 120.200 0.133 0.000 2.153 373 E HA -0.207 4.144 4.350 0.001 0.000 0.194 373 E C 1.839 178.523 176.600 0.140 0.000 0.988 373 E CA 1.288 57.751 56.400 0.104 0.000 0.811 373 E CB -0.726 29.024 29.700 0.083 0.000 0.746 373 E HN 0.759 nan 8.360 nan 0.000 0.466 374 F N 1.576 121.556 119.950 0.051 0.000 2.293 374 F HA -0.075 4.453 4.527 0.001 0.000 0.297 374 F C 2.143 177.931 175.800 -0.020 0.000 1.089 374 F CA 0.477 58.492 58.000 0.024 0.000 1.377 374 F CB 0.318 39.353 39.000 0.059 0.000 1.051 374 F HN -0.206 nan 8.300 nan 0.000 0.511 375 V N 0.477 120.324 119.914 -0.112 0.000 2.427 375 V HA -0.264 3.856 4.120 0.001 0.000 0.248 375 V C 2.678 178.622 176.094 -0.249 0.000 1.051 375 V CA 1.630 63.790 62.300 -0.233 0.000 1.048 375 V CB -1.267 30.508 31.823 -0.080 0.000 0.666 375 V HN 0.450 nan 8.190 nan 0.000 0.456 376 A N -0.126 122.615 122.820 -0.132 0.000 1.933 376 A HA -0.224 4.097 4.320 0.001 0.000 0.218 376 A C 2.394 179.886 177.584 -0.154 0.000 1.175 376 A CA 1.755 53.729 52.037 -0.106 0.000 0.628 376 A CB -0.474 18.505 19.000 -0.036 0.000 0.814 376 A HN 0.484 nan 8.150 nan 0.000 0.444 377 R N -0.781 119.609 120.500 -0.184 0.000 2.073 377 R HA -0.083 4.258 4.340 0.001 0.000 0.234 377 R C 2.072 178.200 176.300 -0.288 0.000 1.134 377 R CA 1.532 57.517 56.100 -0.192 0.000 0.952 377 R CB -0.513 29.696 30.300 -0.152 0.000 0.850 377 R HN 0.400 nan 8.270 nan 0.000 0.433 378 V N 0.927 120.565 119.914 -0.460 0.000 2.358 378 V HA -0.224 3.897 4.120 0.001 0.000 0.246 378 V C 2.498 178.323 176.094 -0.448 0.000 1.047 378 V CA 1.517 63.526 62.300 -0.484 0.000 1.035 378 V CB -0.570 30.881 31.823 -0.621 0.000 0.658 378 V HN 0.301 nan 8.190 nan 0.000 0.452 379 R N 0.279 120.514 120.500 -0.441 0.000 2.120 379 R HA -0.193 4.148 4.340 0.001 0.000 0.234 379 R C 2.370 178.534 176.300 -0.228 0.000 1.123 379 R CA 1.854 57.693 56.100 -0.436 0.000 0.975 379 R CB -0.214 29.919 30.300 -0.278 0.000 0.866 379 R HN 0.518 nan 8.270 nan 0.000 0.446 380 K N -0.121 120.175 120.400 -0.172 0.000 2.057 380 K HA -0.069 4.252 4.320 0.001 0.000 0.206 380 K C 1.983 178.519 176.600 -0.107 0.000 1.050 380 K CA 1.184 57.410 56.287 -0.101 0.000 0.935 380 K CB 0.076 32.527 32.500 -0.083 0.000 0.715 380 K HN -0.034 nan 8.250 nan 0.000 0.439 381 V N 1.876 121.699 119.914 -0.151 0.000 2.237 381 V HA -0.265 3.856 4.120 0.001 0.000 0.245 381 V C 2.344 178.353 176.094 -0.142 0.000 1.046 381 V CA 1.733 63.951 62.300 -0.137 0.000 1.007 381 V CB -0.456 31.275 31.823 -0.154 0.000 0.638 381 V HN 0.315 nan 8.190 nan 0.000 0.445 382 L N 0.195 121.289 121.223 -0.215 0.000 2.013 382 L HA -0.228 4.113 4.340 0.001 0.000 0.212 382 L C 2.541 179.390 176.870 -0.036 0.000 1.073 382 L CA 1.799 56.521 54.840 -0.196 0.000 0.753 382 L CB -0.942 40.841 42.059 -0.460 0.000 0.890 382 L HN 0.384 nan 8.230 nan 0.000 0.432 383 N N 0.189 118.898 118.700 0.015 0.000 2.043 383 N HA -0.190 4.551 4.740 0.001 0.000 0.193 383 N C 1.782 177.308 175.510 0.027 0.000 1.037 383 N CA 1.463 54.576 53.050 0.107 0.000 0.851 383 N CB -0.224 38.334 38.487 0.119 0.000 1.027 383 N HN 0.426 nan 8.380 nan 0.000 0.422 384 E N 0.513 120.707 120.200 -0.011 0.000 2.118 384 E HA -0.142 4.209 4.350 0.001 0.000 0.195 384 E C 1.353 177.935 176.600 -0.030 0.000 0.992 384 E CA 0.725 57.112 56.400 -0.022 0.000 0.804 384 E CB -0.008 29.672 29.700 -0.033 0.000 0.741 384 E HN 0.353 nan 8.360 nan 0.000 0.458 385 Q N -0.536 119.236 119.800 -0.046 0.000 2.444 385 Q HA 0.025 4.366 4.340 0.001 0.000 0.206 385 Q C 0.992 176.963 176.000 -0.049 0.000 0.948 385 Q CA 0.731 56.499 55.803 -0.058 0.000 0.946 385 Q CB 0.789 29.474 28.738 -0.089 0.000 1.027 385 Q HN 0.424 nan 8.270 nan 0.000 0.513 386 G N 0.828 109.612 108.800 -0.026 0.000 2.221 386 G HA2 -0.252 3.709 3.960 0.001 0.000 0.265 386 G HA3 -0.252 3.709 3.960 0.001 0.000 0.265 386 G C 0.091 174.974 174.900 -0.029 0.000 1.041 386 G CA 0.288 45.373 45.100 -0.025 0.000 0.807 386 G HN 0.224 nan 8.290 nan 0.000 0.502 387 V N 1.018 120.929 119.914 -0.005 0.000 2.498 387 V HA 0.420 4.541 4.120 0.001 0.000 0.279 387 V C 1.149 177.308 176.094 0.109 0.000 1.048 387 V CA -0.477 61.821 62.300 -0.003 0.000 0.967 387 V CB 1.448 33.240 31.823 -0.052 0.000 0.988 387 V HN 0.330 nan 8.190 nan 0.000 0.473 388 I N 6.789 127.372 120.570 0.022 0.000 2.396 388 I HA 0.289 4.460 4.170 0.001 0.000 0.289 388 I C -0.030 176.141 176.117 0.091 0.000 1.056 388 I CA 0.224 61.516 61.300 -0.013 0.000 1.365 388 I CB 0.219 38.170 38.000 -0.083 0.000 1.407 388 I HN 0.722 nan 8.210 nan 0.000 0.509 389 W N 6.478 127.723 121.300 -0.092 0.000 3.047 389 W HA 0.665 5.325 4.660 0.001 0.000 0.341 389 W C -1.735 174.752 176.519 -0.054 0.000 1.225 389 W CA -1.021 56.274 57.345 -0.083 0.000 1.150 389 W CB 1.198 30.597 29.460 -0.101 0.000 1.470 389 W HN 0.557 nan 8.180 nan 0.000 0.578 390 Q N 0.829 120.703 119.800 0.123 0.000 2.377 390 Q HA 0.541 4.881 4.340 0.001 0.000 0.279 390 Q C -1.084 174.998 176.000 0.136 0.000 1.049 390 Q CA -0.961 54.810 55.803 -0.053 0.000 0.825 390 Q CB 2.522 31.228 28.738 -0.053 0.000 1.401 390 Q HN 0.595 nan 8.270 nan 0.000 0.404 391 V N -0.597 119.351 119.914 0.057 0.000 2.834 391 V HA 0.931 5.052 4.120 0.001 0.000 0.301 391 V C -0.531 175.553 176.094 -0.017 0.000 1.066 391 V CA 0.297 62.644 62.300 0.079 0.000 1.052 391 V CB 0.844 32.697 31.823 0.050 0.000 1.021 391 V HN 1.015 nan 8.190 nan 0.000 0.480 392 A N 3.565 126.364 122.820 -0.035 0.000 2.459 392 A HA 0.812 5.133 4.320 0.001 0.000 0.296 392 A C -0.201 177.320 177.584 -0.106 0.000 1.039 392 A CA -0.074 51.926 52.037 -0.061 0.000 0.698 392 A CB 1.657 20.635 19.000 -0.035 0.000 1.261 392 A HN 1.667 nan 8.150 nan 0.000 0.405 393 T N -0.438 114.062 114.554 -0.089 0.000 2.888 393 T HA 0.552 4.903 4.350 0.001 0.000 0.284 393 T C -0.283 174.412 174.700 -0.008 0.000 1.017 393 T CA -0.597 61.421 62.100 -0.136 0.000 1.022 393 T CB 1.238 70.039 68.868 -0.111 0.000 1.013 393 T HN 0.780 nan 8.240 nan 0.000 0.465 394 L N 3.212 124.418 121.223 -0.028 0.000 2.416 394 L HA 0.503 4.844 4.340 0.001 0.000 0.243 394 L C 1.041 177.922 176.870 0.019 0.000 1.373 394 L CA 1.375 56.232 54.840 0.029 0.000 1.227 394 L CB -1.571 40.492 42.059 0.007 0.000 1.428 394 L HN 1.335 nan 8.230 nan 0.000 0.425 395 G N 1.760 110.592 108.800 0.053 0.000 2.795 395 G HA2 -0.231 3.730 3.960 0.001 0.000 0.664 395 G HA3 -0.231 3.730 3.960 0.001 0.000 0.664 395 G C -0.192 174.712 174.900 0.007 0.000 1.381 395 G CA -0.611 44.441 45.100 -0.080 0.000 0.853 395 G HN 0.508 nan 8.290 nan 0.000 0.545 396 K N -0.439 119.955 120.400 -0.010 0.000 2.397 396 K HA 0.293 4.613 4.320 0.001 0.000 0.265 396 K C 1.961 178.576 176.600 0.025 0.000 0.982 396 K CA 0.012 56.315 56.287 0.026 0.000 0.931 396 K CB 0.567 33.078 32.500 0.018 0.000 0.943 396 K HN 0.449 nan 8.250 nan 0.000 0.501 397 V N 1.477 121.413 119.914 0.037 0.000 2.226 397 V HA -0.317 3.804 4.120 0.001 0.000 0.254 397 V C 0.985 177.084 176.094 0.009 0.000 1.065 397 V CA 2.088 64.406 62.300 0.029 0.000 1.039 397 V CB -0.266 31.568 31.823 0.019 0.000 0.653 397 V HN 0.799 nan 8.190 nan 0.000 0.450 398 D N -1.701 118.702 120.400 0.004 0.000 2.463 398 D HA 0.096 4.737 4.640 0.001 0.000 0.224 398 D C 1.864 178.167 176.300 0.005 0.000 1.174 398 D CA -0.112 53.889 54.000 0.002 0.000 0.829 398 D CB 0.623 41.426 40.800 0.004 0.000 0.993 398 D HN 0.367 nan 8.370 nan 0.000 0.497 399 Q N 0.418 120.217 119.800 -0.002 0.000 1.967 399 Q HA 0.015 4.356 4.340 0.001 0.000 0.202 399 Q C 1.197 177.192 176.000 -0.009 0.000 0.985 399 Q CA 0.982 56.777 55.803 -0.013 0.000 0.839 399 Q CB 0.081 28.794 28.738 -0.043 0.000 0.906 399 Q HN 0.343 nan 8.270 nan 0.000 0.423 400 G N -2.193 106.603 108.800 -0.007 0.000 2.682 400 G HA2 0.512 4.473 3.960 0.001 0.000 0.303 400 G HA3 0.512 4.473 3.960 0.001 0.000 0.303 400 G C -0.776 174.133 174.900 0.016 0.000 1.341 400 G CA -0.248 44.854 45.100 0.004 0.000 0.784 400 G HN 0.344 nan 8.290 nan 0.000 0.497 401 G N -1.932 106.883 108.800 0.024 0.000 2.557 401 G HA2 0.759 4.719 3.960 0.001 0.000 0.292 401 G HA3 0.759 4.719 3.960 0.001 0.000 0.292 401 G C 0.090 175.007 174.900 0.029 0.000 1.237 401 G CA 0.048 45.170 45.100 0.036 0.000 0.978 401 G HN 1.692 nan 8.290 nan 0.000 0.498 402 G N -2.832 105.991 108.800 0.038 0.000 2.579 402 G HA2 0.660 4.621 3.960 0.001 0.000 0.292 402 G HA3 0.660 4.621 3.960 0.001 0.000 0.292 402 G C -0.756 174.167 174.900 0.038 0.000 1.484 402 G CA 0.323 45.444 45.100 0.035 0.000 0.813 402 G HN 1.748 nan 8.290 nan 0.000 0.515 403 G N 0.026 108.848 108.800 0.037 0.000 1.824 403 G HA2 0.631 4.592 3.960 0.001 0.000 0.294 403 G HA3 0.631 4.592 3.960 0.001 0.000 0.294 403 G C -0.282 174.639 174.900 0.035 0.000 1.796 403 G CA 0.590 45.704 45.100 0.023 0.000 0.919 403 G HN 1.405 nan 8.290 nan 0.000 0.595 404 T N -0.225 114.344 114.554 0.024 0.000 2.884 404 T HA 0.606 4.957 4.350 0.001 0.000 0.277 404 T C 1.899 176.629 174.700 0.050 0.000 0.976 404 T CA -0.328 61.809 62.100 0.062 0.000 0.956 404 T CB 1.274 70.179 68.868 0.062 0.000 1.113 404 T HN 0.964 nan 8.240 nan 0.000 0.554 405 I N -1.288 119.370 120.570 0.146 0.000 3.444 405 I HA 0.253 4.424 4.170 0.001 0.000 0.287 405 I C 2.422 178.694 176.117 0.257 0.000 1.302 405 I CA 0.263 61.742 61.300 0.298 0.000 1.368 405 I CB -0.988 37.244 38.000 0.385 0.000 1.048 405 I HN 0.669 nan 8.210 nan 0.000 0.487 406 A N 3.631 126.496 122.820 0.076 0.000 1.958 406 A HA -0.276 4.045 4.320 0.001 0.000 0.221 406 A C 2.496 180.115 177.584 0.059 0.000 1.178 406 A CA 2.552 54.621 52.037 0.054 0.000 0.642 406 A CB -0.643 18.349 19.000 -0.014 0.000 0.816 406 A HN 0.730 nan 8.150 nan 0.000 0.453 407 K N -1.690 118.622 120.400 -0.148 0.000 2.148 407 K HA -0.090 4.231 4.320 0.001 0.000 0.204 407 K C 1.395 177.872 176.600 -0.205 0.000 1.050 407 K CA 1.594 57.742 56.287 -0.232 0.000 0.942 407 K CB -0.552 31.717 32.500 -0.385 0.000 0.724 407 K HN 0.314 nan 8.250 nan 0.000 0.446 408 F N 0.482 120.440 119.950 0.013 0.000 2.451 408 F HA 0.037 4.565 4.527 0.001 0.000 0.299 408 F C 1.391 177.005 175.800 -0.310 0.000 1.101 408 F CA 0.620 58.515 58.000 -0.175 0.000 1.436 408 F CB -0.360 38.447 39.000 -0.321 0.000 1.074 408 F HN -0.069 nan 8.300 nan 0.000 0.553 409 F N -0.868 119.101 119.950 0.031 0.000 2.505 409 F HA 0.257 4.784 4.527 0.001 0.000 0.289 409 F C 2.322 178.131 175.800 0.015 0.000 1.101 409 F CA 0.568 58.577 58.000 0.014 0.000 1.446 409 F CB -1.038 37.921 39.000 -0.069 0.000 1.123 409 F HN -0.115 nan 8.300 nan 0.000 0.564 410 A N -0.171 122.737 122.820 0.148 0.000 2.015 410 A HA -0.174 4.147 4.320 0.001 0.000 0.219 410 A C 2.113 179.726 177.584 0.048 0.000 1.163 410 A CA 1.531 53.604 52.037 0.059 0.000 0.646 410 A CB -0.730 18.276 19.000 0.010 0.000 0.806 410 A HN 0.415 nan 8.150 nan 0.000 0.448 411 E N 0.069 120.295 120.200 0.042 0.000 2.153 411 E HA -0.163 4.187 4.350 0.001 0.000 0.194 411 E C 1.696 178.321 176.600 0.041 0.000 0.988 411 E CA 0.768 57.189 56.400 0.034 0.000 0.811 411 E CB -0.054 29.670 29.700 0.041 0.000 0.746 411 E HN 0.589 nan 8.360 nan 0.000 0.466 412 R N -1.187 119.348 120.500 0.059 0.000 2.313 412 R HA 0.085 4.425 4.340 0.001 0.000 0.199 412 R C 1.141 177.474 176.300 0.054 0.000 0.958 412 R CA 0.522 56.660 56.100 0.064 0.000 1.047 412 R CB 0.606 30.977 30.300 0.117 0.000 0.955 412 R HN 0.318 nan 8.270 nan 0.000 0.481 413 G N 0.056 108.883 108.800 0.045 0.000 2.218 413 G HA2 -0.240 3.721 3.960 0.001 0.000 0.216 413 G HA3 -0.240 3.721 3.960 0.001 0.000 0.216 413 G C 0.214 175.119 174.900 0.009 0.000 0.994 413 G CA -0.091 45.022 45.100 0.021 0.000 0.637 413 G HN 0.303 nan 8.290 nan 0.000 0.505 414 S N 0.729 116.448 115.700 0.032 0.000 2.669 414 S HA 0.561 5.032 4.470 0.001 0.000 0.270 414 S C -0.432 174.098 174.600 -0.117 0.000 1.225 414 S CA -0.537 57.651 58.200 -0.019 0.000 0.991 414 S CB 1.380 64.610 63.200 0.051 0.000 0.987 414 S HN 0.293 nan 8.310 nan 0.000 0.552 415 D N 1.304 121.520 120.400 -0.307 0.000 2.225 415 D HA 0.489 5.130 4.640 0.001 0.000 0.248 415 D C -0.586 175.243 176.300 -0.784 0.000 1.096 415 D CA -0.019 53.600 54.000 -0.634 0.000 0.863 415 D CB 1.564 41.717 40.800 -1.079 0.000 1.156 415 D HN 0.134 nan 8.370 nan 0.000 0.450 416 V N 2.866 122.499 119.914 -0.468 0.000 3.046 416 V HA 0.645 4.766 4.120 0.001 0.000 0.316 416 V C -0.008 176.167 176.094 0.136 0.000 1.104 416 V CA -0.929 61.281 62.300 -0.150 0.000 1.006 416 V CB 2.752 34.537 31.823 -0.064 0.000 1.058 416 V HN 0.470 nan 8.190 nan 0.000 0.440 417 I N 0.480 121.179 120.570 0.215 0.000 2.731 417 I HA 0.357 4.528 4.170 0.001 0.000 0.289 417 I C -1.193 174.964 176.117 0.067 0.000 1.399 417 I CA -0.317 61.095 61.300 0.187 0.000 1.048 417 I CB 2.074 40.218 38.000 0.238 0.000 1.345 417 I HN 0.668 nan 8.210 nan 0.000 0.425 421 P HA 0.517 nan 4.420 nan 0.000 0.276 421 P C -0.442 176.868 177.300 0.018 0.000 1.261 421 P CA -0.048 63.044 63.100 -0.013 0.000 0.800 421 P CB 1.609 33.292 31.700 -0.028 0.000 1.066 422 A N 2.148 124.981 122.820 0.023 0.000 2.274 422 A HA 0.556 4.877 4.320 0.001 0.000 0.309 422 A C 0.124 177.734 177.584 0.043 0.000 1.226 422 A CA -0.636 51.420 52.037 0.032 0.000 0.853 422 A CB -0.207 18.806 19.000 0.022 0.000 1.146 422 A HN 0.479 nan 8.150 nan 0.000 0.518 423 L N 1.422 122.677 121.223 0.052 0.000 2.365 423 L HA 0.600 4.941 4.340 0.001 0.000 0.267 423 L C -0.919 175.991 176.870 0.065 0.000 1.033 423 L CA -1.035 53.838 54.840 0.056 0.000 0.802 423 L CB 1.524 43.620 42.059 0.061 0.000 1.267 423 L HN 0.535 nan 8.230 nan 0.000 0.457 424 L N 0.681 121.941 121.223 0.061 0.000 2.406 424 L HA 0.749 5.090 4.340 0.001 0.000 0.272 424 L C 0.084 176.996 176.870 0.070 0.000 0.980 424 L CA 0.296 55.183 54.840 0.078 0.000 0.831 424 L CB 1.254 43.358 42.059 0.074 0.000 1.253 424 L HN 0.771 nan 8.230 nan 0.000 0.406 428 S N 1.490 117.377 115.700 0.312 0.000 2.681 428 S HA 0.233 4.704 4.470 0.001 0.000 0.270 428 S C -1.582 173.110 174.600 0.152 0.000 1.209 428 S CA -1.057 57.217 58.200 0.124 0.000 0.988 428 S CB 1.944 65.049 63.200 -0.159 0.000 1.006 428 S HN -0.030 nan 8.310 nan 0.000 0.558 429 P HA 0.159 nan 4.420 nan 0.000 0.241 429 P C -0.394 177.187 177.300 0.468 0.000 1.191 429 P CA 0.656 63.855 63.100 0.164 0.000 0.771 429 P CB -0.122 31.458 31.700 -0.200 0.000 0.929 430 F N 1.297 121.255 119.950 0.013 0.000 2.710 430 F HA 0.306 4.833 4.527 0.001 0.000 0.345 430 F C -0.074 175.703 175.800 -0.038 0.000 1.362 430 F CA -1.424 56.527 58.000 -0.082 0.000 1.175 430 F CB 0.450 39.228 39.000 -0.369 0.000 1.561 430 F HN -0.304 nan 8.300 nan 0.000 0.593 431 E N 3.638 123.790 120.200 -0.081 0.000 2.373 431 E HA 0.246 4.597 4.350 0.001 0.000 0.267 431 E C -0.351 176.121 176.600 -0.214 0.000 1.032 431 E CA -0.169 56.181 56.400 -0.083 0.000 0.889 431 E CB 1.422 31.127 29.700 0.007 0.000 0.984 431 E HN 0.229 nan 8.360 nan 0.000 0.425 432 I N 2.210 122.710 120.570 -0.116 0.000 2.412 432 I HA 0.221 4.392 4.170 0.001 0.000 0.296 432 I C 0.228 176.334 176.117 -0.019 0.000 0.987 432 I CA -0.230 61.007 61.300 -0.105 0.000 1.180 432 I CB 1.167 39.136 38.000 -0.051 0.000 1.340 432 I HN 0.538 nan 8.210 nan 0.000 0.455 433 S N 3.346 119.047 115.700 0.002 0.000 2.579 433 S HA 0.516 4.987 4.470 0.001 0.000 0.272 433 S C -0.670 173.975 174.600 0.076 0.000 1.141 433 S CA -0.710 57.518 58.200 0.047 0.000 0.843 433 S CB 2.005 65.243 63.200 0.063 0.000 1.122 433 S HN 0.532 nan 8.310 nan 0.000 0.468 434 S N 0.291 116.046 115.700 0.091 0.000 2.537 434 S HA 0.366 4.837 4.470 0.001 0.000 0.275 434 S C 0.947 175.623 174.600 0.126 0.000 1.272 434 S CA -0.629 57.658 58.200 0.145 0.000 1.050 434 S CB 0.680 63.971 63.200 0.152 0.000 0.961 434 S HN 0.742 nan 8.310 nan 0.000 0.496 435 K N 3.110 123.632 120.400 0.203 0.000 2.026 435 K HA -0.095 4.226 4.320 0.001 0.000 0.208 435 K C 2.346 178.902 176.600 -0.074 0.000 1.048 435 K CA 1.439 57.804 56.287 0.129 0.000 0.929 435 K CB -0.478 32.162 32.500 0.234 0.000 0.713 435 K HN 0.738 nan 8.250 nan 0.000 0.439 436 A N 2.218 124.815 122.820 -0.371 0.000 1.892 436 A HA -0.258 4.062 4.320 0.001 0.000 0.218 436 A C 1.698 179.145 177.584 -0.229 0.000 1.188 436 A CA 2.203 53.859 52.037 -0.634 0.000 0.631 436 A CB -0.578 17.706 19.000 -1.193 0.000 0.822 436 A HN 0.237 nan 8.150 nan 0.000 0.447 437 D N -0.214 120.109 120.400 -0.127 0.000 2.117 437 D HA -0.129 4.512 4.640 0.001 0.000 0.197 437 D C 1.948 178.206 176.300 -0.069 0.000 0.987 437 D CA 0.841 54.793 54.000 -0.080 0.000 0.829 437 D CB -0.462 40.317 40.800 -0.035 0.000 0.961 437 D HN 0.344 nan 8.370 nan 0.000 0.460 438 L N 0.167 121.377 121.223 -0.022 0.000 2.013 438 L HA -0.231 4.109 4.340 0.001 0.000 0.212 438 L C 2.255 179.164 176.870 0.064 0.000 1.073 438 L CA 1.588 56.431 54.840 0.005 0.000 0.753 438 L CB -0.558 41.526 42.059 0.041 0.000 0.890 438 L HN -0.030 nan 8.230 nan 0.000 0.432 439 F N 1.190 121.075 119.950 -0.109 0.000 2.113 439 F HA -0.224 4.304 4.527 0.001 0.000 0.297 439 F C 2.501 178.143 175.800 -0.264 0.000 1.103 439 F CA 1.935 59.779 58.000 -0.259 0.000 1.248 439 F CB -0.165 38.689 39.000 -0.244 0.000 0.999 439 F HN 0.118 nan 8.300 nan 0.000 0.475 440 E N -0.479 119.601 120.200 -0.200 0.000 2.204 440 E HA -0.115 4.236 4.350 0.001 0.000 0.194 440 E C 2.043 178.409 176.600 -0.390 0.000 0.989 440 E CA 1.590 57.809 56.400 -0.300 0.000 0.824 440 E CB -0.369 29.236 29.700 -0.158 0.000 0.756 440 E HN 0.366 nan 8.360 nan 0.000 0.477 441 T N -0.335 113.994 114.554 -0.375 0.000 2.737 441 T HA -0.178 4.173 4.350 0.001 0.000 0.265 441 T C 1.470 175.736 174.700 -0.723 0.000 1.038 441 T CA 1.392 63.147 62.100 -0.575 0.000 1.144 441 T CB -0.592 67.996 68.868 -0.467 0.000 0.866 441 T HN 0.368 nan 8.240 nan 0.000 0.434 442 Y N 2.372 122.303 120.300 -0.614 0.000 2.181 442 Y HA -0.132 4.419 4.550 0.001 0.000 0.288 442 Y C 2.141 177.718 175.900 -0.538 0.000 1.146 442 Y CA 0.562 58.342 58.100 -0.534 0.000 1.164 442 Y CB -0.850 37.169 38.460 -0.736 0.000 0.982 442 Y HN -0.001 nan 8.280 nan 0.000 0.515 443 V N 0.940 120.251 119.914 -1.005 0.000 2.407 443 V HA -0.286 3.835 4.120 0.001 0.000 0.248 443 V C 2.736 178.488 176.094 -0.569 0.000 1.055 443 V CA 1.790 63.530 62.300 -0.934 0.000 1.049 443 V CB -1.631 29.739 31.823 -0.754 0.000 0.662 443 V HN 0.598 nan 8.190 nan 0.000 0.455 444 A N -1.347 121.185 122.820 -0.480 0.000 1.897 444 A HA -0.141 4.180 4.320 0.001 0.000 0.215 444 A C 2.116 179.582 177.584 -0.196 0.000 1.181 444 A CA 1.379 53.217 52.037 -0.332 0.000 0.620 444 A CB -0.668 18.128 19.000 -0.340 0.000 0.821 444 A HN 0.583 nan 8.150 nan 0.000 0.443 445 Y N -0.785 119.369 120.300 -0.244 0.000 2.145 445 Y HA -0.222 4.328 4.550 0.001 0.000 0.286 445 Y C 2.792 178.570 175.900 -0.204 0.000 1.145 445 Y CA 1.311 59.296 58.100 -0.192 0.000 1.148 445 Y CB -0.160 38.212 38.460 -0.147 0.000 0.981 445 Y HN 0.260 nan 8.280 nan 0.000 0.507 446 R N 0.296 120.722 120.500 -0.123 0.000 2.091 446 R HA -0.177 4.164 4.340 0.001 0.000 0.238 446 R C 2.315 178.522 176.300 -0.154 0.000 1.136 446 R CA 1.807 57.798 56.100 -0.183 0.000 0.959 446 R CB -0.257 29.805 30.300 -0.396 0.000 0.856 446 R HN 0.180 nan 8.270 nan 0.000 0.437 447 S N 0.788 116.376 115.700 -0.186 0.000 2.348 447 S HA -0.067 4.404 4.470 0.001 0.000 0.221 447 S C 1.142 175.678 174.600 -0.107 0.000 1.033 447 S CA 0.710 58.822 58.200 -0.148 0.000 1.010 447 S CB -0.209 62.891 63.200 -0.167 0.000 0.891 447 S HN 0.170 nan 8.310 nan 0.000 0.442 451 K N 0.342 120.715 120.400 -0.046 0.000 2.450 451 K HA 0.379 4.700 4.320 0.001 0.000 0.206 451 K C 0.459 177.035 176.600 -0.039 0.000 1.148 451 K CA -0.008 56.252 56.287 -0.045 0.000 1.014 451 K CB 0.927 33.390 32.500 -0.061 0.000 0.966 451 K HN -0.054 nan 8.250 nan 0.000 0.566 452 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 54.833 54.840 -0.012 0.000 0.813 452 L CB 0.000 42.069 42.059 0.017 0.000 0.961 452 L HN 0.000 nan 8.230 nan 0.000 0.502