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 2wrb_1_A DATA FIRST_RESID 9 DATA SEQUENCE IGYHANNSTE KVDTILERNV TVTHAKDILE KTHNGKLcKL NGIPPLELGD DATA SEQUENCE cSIAGWLLGN PEcDRLLSVP EWSYIMEKEN PRDGLcYPGS FNDYEELKHL DATA SEQUENCE LSSVKHFEKV KILPKDRWTQ HTTTGGSRAc AVSGNPSFFR NMVWLTEKGS DATA SEQUENCE NYPVAKGSYN NTSGEQMLII WGVHHPNDET EQRTLYQNVG TYVSVGTSTL DATA SEQUENCE NKRSTPDIAT RPKVNGLGSR MEFSWTLLDM WDTINFESTG NLIAPEYGFK DATA SEQUENCE ISKRGSSGIM KTEGTLENcE TKcQTPLGAI NTTLPFHNVH PLTIGEcPKY DATA SEQUENCE VKSEKLVLAT GLRNVPXXXX XGLFGAIAGF IEGGWQGMID GWYGYHHSND DATA SEQUENCE QGSGYAADKE STQKAFDGIT NKVNSVIEKM NTQFEAVGKE FSNLERRLEN DATA SEQUENCE LNKKMEDGFL DVWTYNAELL VLMENERTLD FHDSNVKNLY DKVRMQLRDN DATA SEQUENCE VKELGNGCFE FYHKcDDEcM NSVKNGTYD 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 9 I HA 0.000 nan 4.170 nan 0.000 0.288 9 I C 0.000 176.215 176.117 0.164 0.000 1.063 9 I CA 0.000 61.562 61.300 0.436 0.000 1.566 9 I CB 0.000 38.276 38.000 0.459 0.000 1.214 10 G N 3.870 112.512 108.800 -0.263 0.000 2.727 10 G HA2 0.803 4.780 3.960 0.028 0.000 0.289 10 G HA3 0.803 4.780 3.960 0.028 0.000 0.289 10 G C -1.963 172.544 174.900 -0.655 0.000 1.418 10 G CA -0.653 43.714 45.100 -1.222 0.000 0.818 10 G HN 0.526 nan 8.290 nan 0.000 0.486 11 Y N -1.891 117.987 120.300 -0.703 0.000 2.605 11 Y HA 0.769 5.338 4.550 0.031 0.000 0.343 11 Y C -0.088 175.703 175.900 -0.182 0.000 1.036 11 Y CA -1.608 56.359 58.100 -0.221 0.000 1.065 11 Y CB 0.962 39.365 38.460 -0.095 0.000 1.288 11 Y HN 0.770 nan 8.280 nan 0.000 0.481 12 H N 1.242 120.365 119.070 0.089 0.000 2.690 12 H HA 0.657 5.229 4.556 0.027 0.000 0.365 12 H C -1.167 174.189 175.328 0.047 0.000 1.142 12 H CA -0.128 55.959 56.048 0.064 0.000 1.417 12 H CB 0.973 30.846 29.762 0.186 0.000 1.446 12 H HN 1.005 nan 8.280 nan 0.000 0.599 13 A N 4.914 127.424 122.820 -0.517 0.000 2.550 13 A HA 0.291 4.628 4.320 0.028 0.000 0.282 13 A C -0.693 176.627 177.584 -0.440 0.000 1.071 13 A CA -0.759 50.963 52.037 -0.525 0.000 0.838 13 A CB 0.154 19.029 19.000 -0.207 0.000 1.361 13 A HN 0.934 nan 8.150 nan 0.000 0.408 14 N N 1.395 119.790 118.700 -0.508 0.000 2.531 14 N HA 0.269 5.026 4.740 0.028 0.000 0.301 14 N C 0.364 175.823 175.510 -0.086 0.000 1.310 14 N CA -0.114 52.868 53.050 -0.114 0.000 0.949 14 N CB 0.124 38.643 38.487 0.053 0.000 1.111 14 N HN 0.407 nan 8.380 nan 0.000 0.565 15 N N -1.685 117.000 118.700 -0.024 0.000 2.279 15 N HA 0.066 4.823 4.740 0.028 0.000 0.226 15 N C -0.543 174.951 175.510 -0.026 0.000 1.126 15 N CA -0.407 52.630 53.050 -0.022 0.000 0.846 15 N CB -0.365 38.124 38.487 0.003 0.000 1.050 15 N HN 0.428 nan 8.380 nan 0.000 0.502 16 S N 0.100 115.769 115.700 -0.051 0.000 2.584 16 S HA 0.195 4.682 4.470 0.028 0.000 0.270 16 S C 1.036 175.609 174.600 -0.044 0.000 1.346 16 S CA 0.290 58.464 58.200 -0.043 0.000 1.018 16 S CB 0.435 63.589 63.200 -0.077 0.000 0.899 16 S HN 0.535 nan 8.310 nan 0.000 0.542 17 T N -0.084 114.453 114.554 -0.027 0.000 3.091 17 T HA 0.287 4.654 4.350 0.028 0.000 0.277 17 T C 0.111 174.797 174.700 -0.023 0.000 0.996 17 T CA -0.389 61.695 62.100 -0.026 0.000 0.897 17 T CB -0.074 68.785 68.868 -0.015 0.000 1.109 17 T HN 0.584 nan 8.240 nan 0.000 0.534 18 E N 2.745 122.932 120.200 -0.021 0.000 2.480 18 E HA 0.142 4.509 4.350 0.028 0.000 0.258 18 E C -0.340 176.246 176.600 -0.023 0.000 0.984 18 E CA 0.297 56.690 56.400 -0.012 0.000 0.930 18 E CB 0.390 30.092 29.700 0.002 0.000 0.936 18 E HN 0.188 nan 8.360 nan 0.000 0.466 19 K N 3.534 123.923 120.400 -0.018 0.000 2.182 19 K HA 0.414 4.751 4.320 0.028 0.000 0.262 19 K C -0.615 175.973 176.600 -0.019 0.000 0.957 19 K CA -0.869 55.404 56.287 -0.023 0.000 0.842 19 K CB 1.623 34.110 32.500 -0.022 0.000 1.099 19 K HN 0.442 nan 8.250 nan 0.000 0.438 20 V N -1.451 118.448 119.914 -0.024 0.000 3.126 20 V HA 0.596 4.733 4.120 0.028 0.000 0.314 20 V C -0.772 175.305 176.094 -0.028 0.000 1.138 20 V CA -0.974 61.312 62.300 -0.022 0.000 1.034 20 V CB 2.254 34.067 31.823 -0.017 0.000 1.075 20 V HN 0.539 nan 8.190 nan 0.000 0.442 21 D N 1.222 121.604 120.400 -0.030 0.000 2.269 21 D HA 0.727 5.384 4.640 0.028 0.000 0.244 21 D C -0.062 176.216 176.300 -0.036 0.000 0.992 21 D CA 0.068 54.047 54.000 -0.035 0.000 0.894 21 D CB 2.112 42.888 40.800 -0.039 0.000 1.248 21 D HN 1.104 nan 8.370 nan 0.000 0.468 22 T N -2.230 112.302 114.554 -0.037 0.000 2.907 22 T HA 0.358 4.725 4.350 0.028 0.000 0.290 22 T C 1.440 176.116 174.700 -0.040 0.000 1.066 22 T CA -0.745 61.333 62.100 -0.036 0.000 1.012 22 T CB 0.923 69.773 68.868 -0.031 0.000 1.184 22 T HN 0.108 nan 8.240 nan 0.000 0.522 23 I N 0.510 121.056 120.570 -0.041 0.000 2.194 23 I HA -0.120 4.067 4.170 0.028 0.000 0.246 23 I C 2.202 178.297 176.117 -0.037 0.000 1.093 23 I CA 1.670 62.944 61.300 -0.043 0.000 1.355 23 I CB -0.890 37.085 38.000 -0.041 0.000 1.046 23 I HN 0.648 nan 8.210 nan 0.000 0.413 24 L N -0.590 120.612 121.223 -0.035 0.000 2.307 24 L HA 0.036 4.393 4.340 0.028 0.000 0.211 24 L C 0.590 177.440 176.870 -0.033 0.000 1.099 24 L CA 0.493 55.312 54.840 -0.033 0.000 0.816 24 L CB -0.019 42.020 42.059 -0.035 0.000 0.952 24 L HN 0.294 nan 8.230 nan 0.000 0.455 25 E N 0.060 120.239 120.200 -0.034 0.000 2.445 25 E HA 0.589 4.956 4.350 0.028 0.000 0.273 25 E C -0.992 175.588 176.600 -0.033 0.000 0.961 25 E CA -0.953 55.427 56.400 -0.033 0.000 0.807 25 E CB 1.844 31.523 29.700 -0.036 0.000 1.362 25 E HN 0.036 nan 8.360 nan 0.000 0.453 26 R N 0.012 120.493 120.500 -0.032 0.000 2.799 26 R HA 0.505 4.862 4.340 0.028 0.000 0.270 26 R C -0.626 175.656 176.300 -0.030 0.000 1.010 26 R CA -1.182 54.900 56.100 -0.031 0.000 0.916 26 R CB 0.475 30.757 30.300 -0.029 0.000 1.228 26 R HN 0.523 nan 8.270 nan 0.000 0.469 27 N N -1.017 117.665 118.700 -0.029 0.000 2.725 27 N HA -0.137 4.620 4.740 0.028 0.000 0.249 27 N C -1.064 174.426 175.510 -0.033 0.000 1.103 27 N CA 0.682 53.715 53.050 -0.028 0.000 0.707 27 N CB -0.928 37.544 38.487 -0.025 0.000 1.043 27 N HN 0.414 nan 8.380 nan 0.000 0.553 28 V N 0.668 120.560 119.914 -0.037 0.000 2.488 28 V HA 0.221 4.358 4.120 0.028 0.000 0.277 28 V C 0.809 176.873 176.094 -0.050 0.000 1.046 28 V CA -0.161 62.112 62.300 -0.045 0.000 0.986 28 V CB 1.451 33.246 31.823 -0.047 0.000 0.989 28 V HN 0.229 nan 8.190 nan 0.000 0.475 29 T N 5.432 119.951 114.554 -0.059 0.000 2.771 29 T HA 0.540 4.907 4.350 0.028 0.000 0.291 29 T C -0.101 174.543 174.700 -0.095 0.000 0.954 29 T CA -0.369 61.690 62.100 -0.067 0.000 1.045 29 T CB 1.238 70.067 68.868 -0.065 0.000 0.917 29 T HN 0.693 nan 8.240 nan 0.000 0.484 30 V N 0.533 120.387 119.914 -0.101 0.000 3.046 30 V HA 0.668 4.805 4.120 0.028 0.000 0.316 30 V C 1.292 177.266 176.094 -0.200 0.000 1.104 30 V CA -0.468 61.745 62.300 -0.146 0.000 1.006 30 V CB 1.311 33.071 31.823 -0.105 0.000 1.058 30 V HN 0.863 nan 8.190 nan 0.000 0.440 31 T N -0.692 113.662 114.554 -0.332 0.000 2.857 31 T HA 0.077 4.444 4.350 0.028 0.000 0.266 31 T C 0.522 174.814 174.700 -0.681 0.000 1.048 31 T CA 1.606 63.356 62.100 -0.582 0.000 1.139 31 T CB -0.620 67.765 68.868 -0.805 0.000 0.874 31 T HN 0.987 nan 8.240 nan 0.000 0.455 32 H N -0.052 119.061 119.070 0.072 0.000 2.996 32 H HA 0.792 5.364 4.556 0.026 0.000 0.368 32 H C -0.778 174.603 175.328 0.090 0.000 1.185 32 H CA -0.698 55.422 56.048 0.119 0.000 1.160 32 H CB 1.840 31.737 29.762 0.225 0.000 1.820 32 H HN 0.470 nan 8.280 nan 0.000 0.547 33 A N 1.687 124.622 122.820 0.191 0.000 2.572 33 A HA 0.675 5.012 4.320 0.028 0.000 0.295 33 A C -1.333 176.315 177.584 0.108 0.000 1.072 33 A CA -0.884 51.226 52.037 0.121 0.000 0.691 33 A CB 2.001 21.040 19.000 0.065 0.000 1.291 33 A HN 0.413 nan 8.150 nan 0.000 0.404 34 K N 1.142 121.593 120.400 0.085 0.000 2.292 34 K HA 0.418 4.755 4.320 0.028 0.000 0.257 34 K C -1.687 174.946 176.600 0.056 0.000 0.940 34 K CA -0.368 55.961 56.287 0.070 0.000 0.811 34 K CB 1.815 34.353 32.500 0.064 0.000 1.120 34 K HN 0.843 nan 8.250 nan 0.000 0.428 35 D N 3.109 123.541 120.400 0.053 0.000 2.198 35 D HA 0.194 4.851 4.640 0.028 0.000 0.245 35 D C 0.943 177.280 176.300 0.060 0.000 1.079 35 D CA -0.420 53.609 54.000 0.049 0.000 0.854 35 D CB 0.713 41.539 40.800 0.044 0.000 1.148 35 D HN 0.537 nan 8.370 nan 0.000 0.456 36 I N 1.197 121.813 120.570 0.077 0.000 4.081 36 I HA 0.332 4.519 4.170 0.028 0.000 0.333 36 I C -0.620 175.593 176.117 0.159 0.000 1.413 36 I CA -0.428 60.940 61.300 0.112 0.000 1.110 36 I CB 0.237 38.327 38.000 0.149 0.000 1.082 36 I HN 0.130 nan 8.210 nan 0.000 0.402 37 L N 2.390 123.683 121.223 0.116 0.000 2.262 37 L HA 0.513 4.870 4.340 0.028 0.000 0.288 37 L C -0.038 176.894 176.870 0.103 0.000 1.035 37 L CA -0.120 54.793 54.840 0.122 0.000 0.820 37 L CB 1.091 43.183 42.059 0.056 0.000 1.204 37 L HN 0.125 nan 8.230 nan 0.000 0.424 38 E N 4.189 124.467 120.200 0.130 0.000 2.289 38 E HA 0.248 4.615 4.350 0.028 0.000 0.278 38 E C -0.214 176.474 176.600 0.147 0.000 1.032 38 E CA 0.226 56.697 56.400 0.119 0.000 0.854 38 E CB 0.663 30.424 29.700 0.102 0.000 1.046 38 E HN 0.646 nan 8.360 nan 0.000 0.409 39 K N 1.666 122.137 120.400 0.119 0.000 2.553 39 K HA 0.249 4.586 4.320 0.028 0.000 0.205 39 K C -0.439 176.255 176.600 0.156 0.000 1.168 39 K CA -0.415 55.950 56.287 0.130 0.000 1.043 39 K CB 0.799 33.354 32.500 0.091 0.000 0.967 39 K HN 0.285 nan 8.250 nan 0.000 0.585 40 T N 1.933 116.578 114.554 0.152 0.000 2.885 40 T HA 0.382 4.749 4.350 0.028 0.000 0.285 40 T C -0.861 173.977 174.700 0.230 0.000 1.019 40 T CA -0.692 61.523 62.100 0.190 0.000 1.010 40 T CB 1.100 70.022 68.868 0.091 0.000 1.022 40 T HN 0.417 nan 8.240 nan 0.000 0.466 41 H N -0.275 118.802 119.070 0.013 0.000 2.907 41 H HA 0.621 5.194 4.556 0.028 0.000 0.361 41 H C 0.278 175.602 175.328 -0.007 0.000 1.194 41 H CA -1.220 54.825 56.048 -0.006 0.000 1.152 41 H CB 0.914 30.672 29.762 -0.006 0.000 1.867 41 H HN 0.423 nan 8.280 nan 0.000 0.561 42 N N 0.315 118.996 118.700 -0.031 0.000 2.276 42 N HA 0.092 4.849 4.740 0.028 0.000 0.212 42 N C 1.135 176.583 175.510 -0.103 0.000 1.127 42 N CA 0.148 53.144 53.050 -0.090 0.000 0.834 42 N CB 0.016 38.481 38.487 -0.037 0.000 1.014 42 N HN 1.134 nan 8.380 nan 0.000 0.491 43 G N -0.008 108.711 108.800 -0.134 0.000 2.225 43 G HA2 -0.359 3.618 3.960 0.028 0.000 0.272 43 G HA3 -0.359 3.618 3.960 0.028 0.000 0.272 43 G C -0.291 174.612 174.900 0.005 0.000 0.996 43 G CA 0.892 45.962 45.100 -0.051 0.000 0.710 43 G HN 0.560 nan 8.290 nan 0.000 0.522 44 K N -0.733 119.673 120.400 0.010 0.000 2.259 44 K HA 0.690 5.027 4.320 0.028 0.000 0.249 44 K C 0.085 176.697 176.600 0.020 0.000 0.942 44 K CA -0.990 55.301 56.287 0.008 0.000 0.816 44 K CB 1.901 34.400 32.500 -0.002 0.000 1.155 44 K HN 0.087 nan 8.250 nan 0.000 0.428 45 L N 2.149 123.386 121.223 0.022 0.000 2.326 45 L HA 0.365 4.722 4.340 0.028 0.000 0.278 45 L C -0.481 176.427 176.870 0.063 0.000 1.092 45 L CA -0.465 54.407 54.840 0.053 0.000 0.810 45 L CB 0.830 42.921 42.059 0.054 0.000 1.153 45 L HN 0.701 nan 8.230 nan 0.000 0.439 46 c N 0.864 119.534 118.600 0.117 0.000 3.213 46 c HA 0.419 5.006 4.570 0.028 0.000 0.319 46 c C -0.243 173.939 174.090 0.153 0.000 1.386 46 c CA -1.543 54.840 56.329 0.091 0.000 1.494 46 c CB 2.053 44.594 42.510 0.051 0.000 1.905 46 c HN 0.678 nan 8.230 nan 0.000 0.456 47 K N 0.580 121.037 120.400 0.095 0.000 2.355 47 K HA 0.398 4.735 4.320 0.028 0.000 0.270 47 K C -0.963 175.725 176.600 0.146 0.000 1.003 47 K CA -0.241 56.112 56.287 0.110 0.000 0.957 47 K CB 0.365 32.899 32.500 0.057 0.000 0.939 47 K HN 0.353 nan 8.250 nan 0.000 0.482 48 L N 3.503 124.845 121.223 0.198 0.000 2.294 48 L HA 0.190 4.548 4.340 0.028 0.000 0.283 48 L C -0.699 176.251 176.870 0.132 0.000 1.015 48 L CA 0.211 55.154 54.840 0.173 0.000 0.831 48 L CB 0.077 42.292 42.059 0.261 0.000 1.217 48 L HN 0.730 nan 8.230 nan 0.000 0.420 49 N N 3.908 122.661 118.700 0.089 0.000 2.735 49 N HA -0.203 4.554 4.740 0.028 0.000 0.248 49 N C 0.932 176.472 175.510 0.049 0.000 1.083 49 N CA 0.960 54.049 53.050 0.065 0.000 0.703 49 N CB -1.008 37.522 38.487 0.072 0.000 1.005 49 N HN 1.154 nan 8.380 nan 0.000 0.550 50 G N -1.523 107.306 108.800 0.050 0.000 2.241 50 G HA2 -0.302 3.675 3.960 0.028 0.000 0.244 50 G HA3 -0.302 3.675 3.960 0.028 0.000 0.244 50 G C 0.157 175.082 174.900 0.041 0.000 0.998 50 G CA 0.308 45.430 45.100 0.037 0.000 0.621 50 G HN 0.422 nan 8.290 nan 0.000 0.519 51 I N 2.575 123.178 120.570 0.056 0.000 2.460 51 I HA 0.406 4.593 4.170 0.028 0.000 0.298 51 I C -2.105 174.050 176.117 0.064 0.000 0.989 51 I CA -2.551 58.782 61.300 0.054 0.000 1.173 51 I CB 2.076 40.104 38.000 0.046 0.000 1.338 51 I HN -0.108 nan 8.210 nan 0.000 0.456 52 P HA 0.306 nan 4.420 nan 0.000 0.276 52 P C -2.680 174.561 177.300 -0.098 0.000 1.261 52 P CA -1.731 61.354 63.100 -0.025 0.000 0.800 52 P CB 0.003 31.683 31.700 -0.034 0.000 1.066 53 P HA 0.268 nan 4.420 nan 0.000 0.292 53 P C -0.855 176.139 177.300 -0.509 0.000 1.283 53 P CA -0.671 62.046 63.100 -0.637 0.000 0.835 53 P CB 0.492 31.385 31.700 -1.345 0.000 1.017 54 L N 2.901 123.703 121.223 -0.702 0.000 2.534 54 L HA 0.069 4.426 4.340 0.028 0.000 0.271 54 L C 0.135 176.550 176.870 -0.759 0.000 1.178 54 L CA 0.774 55.022 54.840 -0.986 0.000 0.907 54 L CB -0.623 40.279 42.059 -1.929 0.000 1.164 54 L HN 0.315 nan 8.230 nan 0.000 0.482 55 E N 6.213 126.063 120.200 -0.583 0.000 2.167 55 E HA 0.148 4.515 4.350 0.028 0.000 0.284 55 E C 0.419 176.730 176.600 -0.482 0.000 1.016 55 E CA -0.268 55.865 56.400 -0.445 0.000 0.817 55 E CB 1.262 30.779 29.700 -0.305 0.000 1.080 55 E HN 0.711 nan 8.360 nan 0.000 0.397 56 L N 2.456 123.415 121.223 -0.441 0.000 2.513 56 L HA 0.127 4.484 4.340 0.028 0.000 0.222 56 L C 1.365 178.083 176.870 -0.253 0.000 1.096 56 L CA 0.483 55.073 54.840 -0.416 0.000 0.857 56 L CB -0.357 41.458 42.059 -0.408 0.000 1.026 56 L HN 0.926 nan 8.230 nan 0.000 0.469 57 G N 0.824 109.502 108.800 -0.204 0.000 2.591 57 G HA2 -0.365 3.612 3.960 0.028 0.000 0.298 57 G HA3 -0.365 3.612 3.960 0.028 0.000 0.298 57 G C 0.471 175.307 174.900 -0.107 0.000 1.195 57 G CA 0.424 45.442 45.100 -0.136 0.000 0.989 57 G HN 0.275 nan 8.290 nan 0.000 0.551 58 D N 0.647 121.000 120.400 -0.079 0.000 2.340 58 D HA 0.172 4.829 4.640 0.028 0.000 0.220 58 D C 0.919 177.188 176.300 -0.051 0.000 1.039 58 D CA 0.509 54.475 54.000 -0.056 0.000 0.866 58 D CB -0.133 40.645 40.800 -0.037 0.000 0.913 58 D HN 0.385 nan 8.370 nan 0.000 0.523 59 c N 0.769 119.328 118.600 -0.068 0.000 2.443 59 c HA 0.401 4.988 4.570 0.028 0.000 0.369 59 c C 1.008 175.062 174.090 -0.059 0.000 1.241 59 c CA -0.697 55.604 56.329 -0.045 0.000 2.413 59 c CB 1.123 43.615 42.510 -0.029 0.000 2.451 59 c HN 0.268 nan 8.230 nan 0.000 0.595 60 S N 1.763 117.452 115.700 -0.019 0.000 2.651 60 S HA 0.484 4.971 4.470 0.028 0.000 0.291 60 S C 0.959 175.571 174.600 0.020 0.000 1.141 60 S CA -0.654 57.541 58.200 -0.008 0.000 1.027 60 S CB 0.501 63.709 63.200 0.014 0.000 1.043 60 S HN 0.604 nan 8.310 nan 0.000 0.530 61 I N 1.277 121.859 120.570 0.020 0.000 2.194 61 I HA -0.243 3.944 4.170 0.028 0.000 0.246 61 I C 2.860 179.006 176.117 0.050 0.000 1.093 61 I CA 1.810 63.134 61.300 0.041 0.000 1.355 61 I CB -1.211 36.733 38.000 -0.093 0.000 1.046 61 I HN 0.870 nan 8.210 nan 0.000 0.413 62 A N 1.247 124.070 122.820 0.005 0.000 1.877 62 A HA -0.130 4.207 4.320 0.028 0.000 0.216 62 A C 2.492 180.011 177.584 -0.108 0.000 1.186 62 A CA 1.983 53.903 52.037 -0.196 0.000 0.620 62 A CB -1.418 17.325 19.000 -0.429 0.000 0.822 62 A HN 0.453 nan 8.150 nan 0.000 0.443 63 G N -1.577 107.210 108.800 -0.022 0.000 2.440 63 G HA2 -0.286 3.691 3.960 0.028 0.000 0.218 63 G HA3 -0.286 3.691 3.960 0.028 0.000 0.218 63 G C 1.362 176.319 174.900 0.096 0.000 1.154 63 G CA 1.189 46.317 45.100 0.047 0.000 0.767 63 G HN 0.688 nan 8.290 nan 0.000 0.552 64 W N 1.325 122.563 121.300 -0.102 0.000 2.353 64 W HA -0.015 4.662 4.660 0.029 0.000 0.319 64 W C 2.358 178.833 176.519 -0.074 0.000 1.207 64 W CA 1.423 58.705 57.345 -0.105 0.000 1.291 64 W CB -0.701 28.649 29.460 -0.182 0.000 1.159 64 W HN 0.123 nan 8.180 nan 0.000 0.478 65 L N 0.183 121.221 121.223 -0.308 0.000 2.046 65 L HA -0.243 4.114 4.340 0.028 0.000 0.208 65 L C 2.561 179.309 176.870 -0.204 0.000 1.077 65 L CA 1.350 55.872 54.840 -0.529 0.000 0.747 65 L CB -1.009 40.770 42.059 -0.466 0.000 0.896 65 L HN 0.068 nan 8.230 nan 0.000 0.432 66 L N -0.435 120.670 121.223 -0.198 0.000 2.291 66 L HA 0.006 4.363 4.340 0.028 0.000 0.214 66 L C 1.216 178.064 176.870 -0.037 0.000 1.120 66 L CA 0.685 55.358 54.840 -0.278 0.000 0.799 66 L CB -0.541 41.022 42.059 -0.827 0.000 0.925 66 L HN 0.545 nan 8.230 nan 0.000 0.446 67 G N 0.984 109.800 108.800 0.027 0.000 2.248 67 G HA2 -0.262 3.715 3.960 0.028 0.000 0.252 67 G HA3 -0.262 3.715 3.960 0.028 0.000 0.252 67 G C 0.009 175.009 174.900 0.166 0.000 1.085 67 G CA -0.082 45.072 45.100 0.090 0.000 0.845 67 G HN 0.349 nan 8.290 nan 0.000 0.494 68 N N 0.439 119.265 118.700 0.210 0.000 2.357 68 N HA 0.134 4.891 4.740 0.028 0.000 0.257 68 N C -0.385 175.158 175.510 0.056 0.000 1.250 68 N CA -1.002 52.129 53.050 0.134 0.000 0.862 68 N CB 1.054 39.623 38.487 0.137 0.000 1.066 68 N HN 0.119 nan 8.380 nan 0.000 0.468 69 P HA -0.078 nan 4.420 nan 0.000 0.219 69 P C 0.597 177.909 177.300 0.021 0.000 1.146 69 P CA 0.985 64.094 63.100 0.015 0.000 0.808 69 P CB 0.323 32.021 31.700 -0.003 0.000 0.779 70 E N -1.534 118.676 120.200 0.016 0.000 2.516 70 E HA -0.059 4.308 4.350 0.028 0.000 0.199 70 E C 0.315 176.931 176.600 0.025 0.000 1.069 70 E CA 0.453 56.863 56.400 0.016 0.000 0.876 70 E CB -0.904 28.802 29.700 0.010 0.000 0.843 70 E HN 0.173 nan 8.360 nan 0.000 0.530 71 c N 0.771 119.399 118.600 0.047 0.000 2.647 71 c HA 0.268 4.855 4.570 0.028 0.000 0.296 71 c C 0.885 175.022 174.090 0.078 0.000 1.403 71 c CA -0.805 55.564 56.329 0.066 0.000 1.781 71 c CB -0.582 41.998 42.510 0.116 0.000 2.464 71 c HN 0.250 nan 8.230 nan 0.000 0.559 72 D N 0.976 121.406 120.400 0.051 0.000 2.249 72 D HA -0.023 4.634 4.640 0.028 0.000 0.205 72 D C 2.071 178.393 176.300 0.036 0.000 0.962 72 D CA 0.715 54.744 54.000 0.049 0.000 0.860 72 D CB -0.105 40.717 40.800 0.036 0.000 0.955 72 D HN 0.414 nan 8.370 nan 0.000 0.505 73 R N 0.169 120.680 120.500 0.019 0.000 2.343 73 R HA 0.124 4.481 4.340 0.028 0.000 0.202 73 R C 0.207 176.499 176.300 -0.013 0.000 1.023 73 R CA 0.004 56.104 56.100 0.001 0.000 1.084 73 R CB -0.066 30.227 30.300 -0.011 0.000 0.956 73 R HN 0.122 nan 8.270 nan 0.000 0.478 74 L N 0.878 122.102 121.223 0.002 0.000 2.349 74 L HA 0.043 4.400 4.340 0.028 0.000 0.275 74 L C 1.619 178.475 176.870 -0.023 0.000 1.115 74 L CA -0.092 54.726 54.840 -0.038 0.000 0.820 74 L CB 0.985 43.025 42.059 -0.032 0.000 1.135 74 L HN 0.192 nan 8.230 nan 0.000 0.445 75 L N 2.067 123.243 121.223 -0.079 0.000 1.970 75 L HA -0.171 4.186 4.340 0.028 0.000 0.212 75 L C 0.774 177.644 176.870 -0.000 0.000 1.071 75 L CA 1.132 55.941 54.840 -0.051 0.000 0.751 75 L CB 0.103 42.108 42.059 -0.090 0.000 0.889 75 L HN 0.925 nan 8.230 nan 0.000 0.432 76 S N -0.414 115.270 115.700 -0.027 0.000 3.956 76 S HA -0.083 4.404 4.470 0.028 0.000 0.543 76 S C -0.192 174.497 174.600 0.149 0.000 0.751 76 S CA 0.130 58.397 58.200 0.112 0.000 1.360 76 S CB -1.944 61.397 63.200 0.235 0.000 0.824 76 S HN 0.364 nan 8.310 nan 0.000 0.719 77 V N -0.035 119.945 119.914 0.110 0.000 3.185 77 V HA 0.360 4.497 4.120 0.028 0.000 0.305 77 V C -0.939 175.362 176.094 0.346 0.000 1.090 77 V CA -1.089 61.324 62.300 0.187 0.000 1.107 77 V CB 0.077 31.994 31.823 0.156 0.000 1.061 77 V HN 0.350 nan 8.190 nan 0.000 0.480 78 P HA 0.166 nan 4.420 nan 0.000 0.234 78 P C 0.093 177.499 177.300 0.178 0.000 1.175 78 P CA 0.589 63.832 63.100 0.238 0.000 0.801 78 P CB 0.404 32.220 31.700 0.194 0.000 0.891 79 E N -0.100 120.203 120.200 0.172 0.000 2.287 79 E HA 0.390 4.757 4.350 0.028 0.000 0.274 79 E C -1.735 174.928 176.600 0.105 0.000 0.896 79 E CA -0.976 55.430 56.400 0.011 0.000 0.788 79 E CB 1.228 30.942 29.700 0.024 0.000 1.244 79 E HN -0.027 nan 8.360 nan 0.000 0.408 80 W N 2.887 124.142 121.300 -0.075 0.000 2.975 80 W HA 0.584 5.261 4.660 0.028 0.000 0.342 80 W C 0.140 176.603 176.519 -0.093 0.000 1.168 80 W CA -0.333 56.935 57.345 -0.128 0.000 1.141 80 W CB 0.703 30.024 29.460 -0.231 0.000 1.445 80 W HN 0.301 nan 8.180 nan 0.000 0.560 81 S N -0.509 115.297 115.700 0.175 0.000 2.539 81 S HA 0.310 4.797 4.470 0.028 0.000 0.226 81 S C -0.066 174.738 174.600 0.340 0.000 1.054 81 S CA 0.533 58.837 58.200 0.173 0.000 0.910 81 S CB -0.487 62.841 63.200 0.213 0.000 0.818 81 S HN 0.839 nan 8.310 nan 0.000 0.490 82 Y N -0.680 119.725 120.300 0.175 0.000 2.829 82 Y HA 0.819 5.387 4.550 0.030 0.000 0.322 82 Y C -1.338 174.589 175.900 0.045 0.000 1.357 82 Y CA -1.882 56.283 58.100 0.109 0.000 1.081 82 Y CB 0.855 39.331 38.460 0.028 0.000 1.339 82 Y HN -0.030 nan 8.280 nan 0.000 0.469 83 I N 2.385 122.951 120.570 -0.005 0.000 2.466 83 I HA 0.336 4.523 4.170 0.028 0.000 0.289 83 I C -0.965 175.029 176.117 -0.206 0.000 1.026 83 I CA -0.813 60.317 61.300 -0.283 0.000 1.078 83 I CB 2.024 39.856 38.000 -0.279 0.000 1.249 83 I HN 0.571 nan 8.210 nan 0.000 0.429 84 M N 6.074 125.475 119.600 -0.332 0.000 2.135 84 M HA 0.275 4.772 4.480 0.028 0.000 0.345 84 M C -0.141 176.023 176.300 -0.228 0.000 1.340 84 M CA 0.322 55.493 55.300 -0.214 0.000 1.162 84 M CB 0.544 33.007 32.600 -0.229 0.000 1.570 84 M HN 0.534 nan 8.290 nan 0.000 0.454 85 E N 2.753 122.858 120.200 -0.158 0.000 2.316 85 E HA 0.504 4.871 4.350 0.028 0.000 0.258 85 E C -0.979 175.563 176.600 -0.097 0.000 0.952 85 E CA -0.778 55.534 56.400 -0.147 0.000 0.818 85 E CB 2.104 31.725 29.700 -0.131 0.000 1.260 85 E HN 0.488 nan 8.360 nan 0.000 0.416 86 K N 0.870 121.223 120.400 -0.078 0.000 2.139 86 K HA 0.230 4.567 4.320 0.028 0.000 0.243 86 K C -0.814 175.766 176.600 -0.032 0.000 0.983 86 K CA -0.697 55.559 56.287 -0.052 0.000 0.890 86 K CB 1.244 33.716 32.500 -0.047 0.000 1.090 86 K HN 0.304 nan 8.250 nan 0.000 0.445 87 E N 2.356 122.545 120.200 -0.019 0.000 2.166 87 E HA 0.018 4.385 4.350 0.028 0.000 0.279 87 E C -1.138 175.460 176.600 -0.003 0.000 1.095 87 E CA 0.217 56.614 56.400 -0.005 0.000 0.888 87 E CB -0.185 29.516 29.700 0.002 0.000 1.041 87 E HN 0.442 nan 8.360 nan 0.000 0.414 88 N N 3.434 122.135 118.700 0.002 0.000 2.681 88 N HA -0.104 4.653 4.740 0.028 0.000 0.265 88 N C -2.560 172.948 175.510 -0.004 0.000 1.157 88 N CA 0.090 53.143 53.050 0.004 0.000 0.674 88 N CB -1.132 37.358 38.487 0.006 0.000 0.887 88 N HN 0.378 nan 8.380 nan 0.000 0.557 89 P HA 0.157 nan 4.420 nan 0.000 0.276 89 P C 1.053 178.348 177.300 -0.008 0.000 1.230 89 P CA -0.325 62.766 63.100 -0.016 0.000 0.776 89 P CB 0.953 32.641 31.700 -0.020 0.000 0.888 90 R N 2.399 122.893 120.500 -0.010 0.000 2.092 90 R HA -0.058 4.299 4.340 0.028 0.000 0.231 90 R C -0.286 176.015 176.300 0.003 0.000 1.119 90 R CA 1.312 57.410 56.100 -0.004 0.000 0.970 90 R CB 0.121 30.417 30.300 -0.007 0.000 0.864 90 R HN 0.477 nan 8.270 nan 0.000 0.440 91 D N -0.288 120.114 120.400 0.003 0.000 2.461 91 D HA 0.239 4.896 4.640 0.028 0.000 0.240 91 D C -0.382 175.933 176.300 0.026 0.000 1.094 91 D CA -0.122 53.888 54.000 0.016 0.000 0.868 91 D CB 1.747 42.556 40.800 0.016 0.000 1.062 91 D HN 0.396 nan 8.370 nan 0.000 0.530 92 G N 1.063 109.884 108.800 0.035 0.000 3.069 92 G HA2 0.250 4.227 3.960 0.028 0.000 0.205 92 G HA3 0.250 4.227 3.960 0.028 0.000 0.205 92 G C -0.025 174.931 174.900 0.093 0.000 1.771 92 G CA -0.474 44.644 45.100 0.031 0.000 0.739 92 G HN 0.375 nan 8.290 nan 0.000 0.784 93 L N 2.988 124.267 121.223 0.093 0.000 2.448 93 L HA 0.110 4.467 4.340 0.028 0.000 0.278 93 L C 2.165 179.185 176.870 0.251 0.000 1.201 93 L CA -0.694 54.282 54.840 0.228 0.000 1.036 93 L CB 0.118 42.290 42.059 0.188 0.000 1.325 93 L HN 0.696 nan 8.230 nan 0.000 0.441 94 c N 1.606 120.343 118.600 0.228 0.000 2.398 94 c HA -0.245 4.342 4.570 0.028 0.000 0.276 94 c C 1.338 175.489 174.090 0.102 0.000 1.222 94 c CA 0.137 56.505 56.329 0.065 0.000 1.746 94 c CB -0.974 41.478 42.510 -0.098 0.000 2.039 94 c HN 0.606 nan 8.230 nan 0.000 0.470 95 Y N 4.063 124.418 120.300 0.090 0.000 2.393 95 Y HA 0.439 5.006 4.550 0.028 0.000 0.338 95 Y C -2.078 173.974 175.900 0.252 0.000 1.029 95 Y CA -2.447 55.765 58.100 0.187 0.000 1.239 95 Y CB 0.424 39.040 38.460 0.260 0.000 1.170 95 Y HN 0.218 nan 8.280 nan 0.000 0.515 96 P HA 0.269 nan 4.420 nan 0.000 0.267 96 P C 0.050 177.527 177.300 0.295 0.000 1.200 96 P CA 0.591 63.785 63.100 0.156 0.000 0.772 96 P CB 0.980 32.697 31.700 0.029 0.000 0.855 97 G N 0.179 109.113 108.800 0.225 0.000 2.534 97 G HA2 0.449 4.426 3.960 0.028 0.000 0.142 97 G HA3 0.449 4.426 3.960 0.028 0.000 0.142 97 G C -1.274 173.728 174.900 0.170 0.000 1.178 97 G CA 0.166 45.397 45.100 0.219 0.000 1.037 97 G HN 0.812 nan 8.290 nan 0.000 0.474 98 S N -1.507 114.302 115.700 0.181 0.000 2.615 98 S HA 0.764 5.251 4.470 0.028 0.000 0.269 98 S C -1.823 172.891 174.600 0.190 0.000 1.161 98 S CA -0.688 57.600 58.200 0.148 0.000 0.817 98 S CB 2.220 65.487 63.200 0.111 0.000 1.131 98 S HN 1.475 nan 8.310 nan 0.000 0.467 99 F N 1.640 121.600 119.950 0.018 0.000 2.612 99 F HA 0.473 5.017 4.527 0.029 0.000 0.332 99 F C -0.504 175.376 175.800 0.132 0.000 1.167 99 F CA -0.620 57.408 58.000 0.046 0.000 0.970 99 F CB 1.432 40.334 39.000 -0.163 0.000 1.234 99 F HN 0.608 nan 8.300 nan 0.000 0.453 100 N N 4.374 123.247 118.700 0.289 0.000 2.518 100 N HA 0.050 4.807 4.740 0.028 0.000 0.266 100 N C -0.297 175.486 175.510 0.456 0.000 1.196 100 N CA 0.608 53.815 53.050 0.261 0.000 0.947 100 N CB 0.448 38.974 38.487 0.064 0.000 1.098 100 N HN 0.629 nan 8.380 nan 0.000 0.450 101 D N 0.611 121.220 120.400 0.348 0.000 2.686 101 D HA -0.258 4.399 4.640 0.028 0.000 0.235 101 D C 0.678 177.329 176.300 0.584 0.000 1.160 101 D CA 0.527 54.767 54.000 0.401 0.000 0.645 101 D CB -0.905 40.081 40.800 0.311 0.000 1.039 101 D HN 0.600 nan 8.370 nan 0.000 0.423 102 Y N 0.714 121.198 120.300 0.306 0.000 2.163 102 Y HA -0.158 4.410 4.550 0.029 0.000 0.288 102 Y C 2.054 177.956 175.900 0.003 0.000 1.136 102 Y CA 2.201 60.365 58.100 0.108 0.000 1.147 102 Y CB 0.054 38.529 38.460 0.025 0.000 0.987 102 Y HN -0.007 nan 8.280 nan 0.000 0.509 103 E N 0.496 120.670 120.200 -0.042 0.000 2.048 103 E HA -0.233 4.134 4.350 0.028 0.000 0.202 103 E C 2.132 178.655 176.600 -0.129 0.000 1.021 103 E CA 1.882 58.182 56.400 -0.167 0.000 0.825 103 E CB -0.366 29.292 29.700 -0.069 0.000 0.756 103 E HN 0.443 nan 8.360 nan 0.000 0.454 104 E N 0.104 120.324 120.200 0.034 0.000 2.086 104 E HA -0.237 4.130 4.350 0.028 0.000 0.200 104 E C 2.146 178.796 176.600 0.082 0.000 1.012 104 E CA 0.945 57.423 56.400 0.130 0.000 0.812 104 E CB -0.406 29.471 29.700 0.294 0.000 0.743 104 E HN 0.152 nan 8.360 nan 0.000 0.453 105 L N 1.871 123.054 121.223 -0.067 0.000 1.989 105 L HA -0.217 4.140 4.340 0.028 0.000 0.211 105 L C 2.093 178.705 176.870 -0.430 0.000 1.071 105 L CA 1.962 56.462 54.840 -0.568 0.000 0.749 105 L CB -0.419 41.067 42.059 -0.955 0.000 0.890 105 L HN -0.014 nan 8.230 nan 0.000 0.431 106 K N -1.487 118.631 120.400 -0.470 0.000 2.063 106 K HA -0.256 4.081 4.320 0.028 0.000 0.208 106 K C 2.213 178.695 176.600 -0.196 0.000 1.048 106 K CA 1.559 57.614 56.287 -0.386 0.000 0.928 106 K CB -0.707 31.503 32.500 -0.484 0.000 0.713 106 K HN 0.567 nan 8.250 nan 0.000 0.442 107 H N 1.311 120.256 119.070 -0.208 0.000 2.352 107 H HA -0.128 4.445 4.556 0.028 0.000 0.299 107 H C 2.209 177.489 175.328 -0.080 0.000 1.097 107 H CA 1.499 57.474 56.048 -0.121 0.000 1.311 107 H CB -0.003 29.701 29.762 -0.097 0.000 1.377 107 H HN 0.087 nan 8.280 nan 0.000 0.504 108 L N 0.606 121.816 121.223 -0.021 0.000 2.012 108 L HA -0.172 4.185 4.340 0.028 0.000 0.210 108 L C 2.058 178.862 176.870 -0.109 0.000 1.073 108 L CA 1.249 56.061 54.840 -0.048 0.000 0.748 108 L CB -0.544 41.491 42.059 -0.040 0.000 0.891 108 L HN 0.183 nan 8.230 nan 0.000 0.431 109 L N -0.298 120.856 121.223 -0.115 0.000 2.610 109 L HA 0.029 4.386 4.340 0.028 0.000 0.232 109 L C 2.610 179.530 176.870 0.083 0.000 1.149 109 L CA 1.441 56.270 54.840 -0.019 0.000 0.872 109 L CB -1.417 40.638 42.059 -0.007 0.000 0.992 109 L HN 0.545 nan 8.230 nan 0.000 0.447 110 S N -2.160 113.515 115.700 -0.041 0.000 2.465 110 S HA -0.051 4.436 4.470 0.028 0.000 0.241 110 S C 0.954 175.612 174.600 0.097 0.000 1.000 110 S CA 0.657 58.862 58.200 0.009 0.000 0.964 110 S CB -0.220 62.906 63.200 -0.123 0.000 0.763 110 S HN 0.410 nan 8.310 nan 0.000 0.512 111 S N -0.331 115.323 115.700 -0.077 0.000 2.616 111 S HA 0.548 5.035 4.470 0.028 0.000 0.276 111 S C -1.308 173.015 174.600 -0.461 0.000 1.159 111 S CA -0.715 57.340 58.200 -0.242 0.000 1.000 111 S CB 1.183 64.310 63.200 -0.120 0.000 1.117 111 S HN 0.223 nan 8.310 nan 0.000 0.464 112 V N 5.935 125.323 119.914 -0.877 0.000 2.680 112 V HA 0.547 4.684 4.120 0.028 0.000 0.309 112 V C 1.145 176.946 176.094 -0.487 0.000 1.052 112 V CA -0.774 61.085 62.300 -0.734 0.000 0.908 112 V CB 1.958 33.100 31.823 -1.134 0.000 1.001 112 V HN 0.999 nan 8.190 nan 0.000 0.431 113 K N 2.334 122.588 120.400 -0.244 0.000 2.137 113 K HA 0.090 4.427 4.320 0.028 0.000 0.202 113 K C 0.595 177.196 176.600 0.001 0.000 1.052 113 K CA 0.788 57.008 56.287 -0.112 0.000 0.961 113 K CB 0.213 32.678 32.500 -0.059 0.000 0.741 113 K HN 0.807 nan 8.250 nan 0.000 0.452 114 H N -1.311 117.704 119.070 -0.093 0.000 2.954 114 H HA 0.245 4.817 4.556 0.028 0.000 0.361 114 H C -2.219 173.151 175.328 0.072 0.000 1.122 114 H CA -0.785 55.257 56.048 -0.011 0.000 1.217 114 H CB 1.353 31.115 29.762 -0.001 0.000 1.776 114 H HN 0.064 nan 8.280 nan 0.000 0.533 115 F N 4.791 124.365 119.950 -0.627 0.000 2.653 115 F HA 0.296 4.841 4.527 0.029 0.000 0.327 115 F C -1.667 173.969 175.800 -0.273 0.000 1.195 115 F CA -0.348 57.460 58.000 -0.319 0.000 0.993 115 F CB 1.379 40.300 39.000 -0.132 0.000 1.259 115 F HN 0.630 nan 8.300 nan 0.000 0.478 116 E N 6.685 126.517 120.200 -0.613 0.000 2.287 116 E HA 0.215 4.582 4.350 0.028 0.000 0.274 116 E C -1.741 174.648 176.600 -0.353 0.000 0.896 116 E CA -0.869 55.320 56.400 -0.351 0.000 0.788 116 E CB 1.800 31.375 29.700 -0.209 0.000 1.244 116 E HN 0.699 nan 8.360 nan 0.000 0.408 117 K N 3.292 123.517 120.400 -0.292 0.000 2.350 117 K HA 0.288 4.625 4.320 0.028 0.000 0.279 117 K C -0.572 175.876 176.600 -0.254 0.000 1.027 117 K CA -0.301 55.731 56.287 -0.426 0.000 0.969 117 K CB 0.808 33.039 32.500 -0.448 0.000 0.954 117 K HN 0.375 nan 8.250 nan 0.000 0.474 118 V N 0.910 120.685 119.914 -0.233 0.000 2.733 118 V HA 0.373 4.510 4.120 0.028 0.000 0.306 118 V C -0.741 175.347 176.094 -0.010 0.000 1.084 118 V CA -1.234 61.028 62.300 -0.064 0.000 0.905 118 V CB 1.487 33.271 31.823 -0.065 0.000 1.010 118 V HN 0.789 nan 8.190 nan 0.000 0.424 119 K N 3.528 123.961 120.400 0.055 0.000 2.416 119 K HA 0.423 4.760 4.320 0.028 0.000 0.283 119 K C 0.625 177.087 176.600 -0.229 0.000 1.037 119 K CA 0.351 56.516 56.287 -0.203 0.000 0.995 119 K CB 0.684 33.061 32.500 -0.205 0.000 0.938 119 K HN 0.928 nan 8.250 nan 0.000 0.475 120 I N 1.507 121.874 120.570 -0.338 0.000 4.592 120 I HA 0.158 4.345 4.170 0.028 0.000 0.329 120 I C -0.274 175.728 176.117 -0.192 0.000 1.309 120 I CA -0.330 60.733 61.300 -0.395 0.000 1.243 120 I CB 0.507 37.900 38.000 -1.012 0.000 1.241 120 I HN 0.338 nan 8.210 nan 0.000 0.434 121 L N 3.675 124.785 121.223 -0.188 0.000 2.502 121 L HA 0.543 4.900 4.340 0.028 0.000 0.249 121 L C -2.614 174.164 176.870 -0.154 0.000 1.446 121 L CA -1.478 53.282 54.840 -0.133 0.000 0.887 121 L CB 0.995 43.044 42.059 -0.017 0.000 1.126 121 L HN -0.127 nan 8.230 nan 0.000 0.509 122 P HA -0.058 nan 4.420 nan 0.000 0.263 122 P C 0.688 177.949 177.300 -0.064 0.000 1.175 122 P CA 0.248 63.258 63.100 -0.149 0.000 0.761 122 P CB 0.881 32.510 31.700 -0.118 0.000 0.794 123 K N 2.562 122.969 120.400 0.010 0.000 2.074 123 K HA -0.242 4.095 4.320 0.028 0.000 0.209 123 K C 0.822 177.513 176.600 0.151 0.000 1.048 123 K CA 2.157 58.535 56.287 0.151 0.000 0.926 123 K CB -0.254 32.307 32.500 0.103 0.000 0.713 123 K HN 0.435 nan 8.250 nan 0.000 0.444 124 D N -0.079 120.353 120.400 0.053 0.000 2.123 124 D HA -0.160 4.497 4.640 0.028 0.000 0.196 124 D C 1.724 178.038 176.300 0.023 0.000 0.992 124 D CA 1.246 55.269 54.000 0.038 0.000 0.833 124 D CB -0.140 40.664 40.800 0.007 0.000 0.954 124 D HN 0.204 nan 8.370 nan 0.000 0.455 125 R N -0.476 119.987 120.500 -0.060 0.000 2.293 125 R HA -0.035 4.322 4.340 0.028 0.000 0.219 125 R C 0.368 176.584 176.300 -0.139 0.000 1.091 125 R CA 0.359 56.376 56.100 -0.139 0.000 1.004 125 R CB -0.236 29.921 30.300 -0.239 0.000 0.865 125 R HN 0.310 nan 8.270 nan 0.000 0.469 126 W N 2.634 123.928 121.300 -0.010 0.000 1.435 126 W HA 0.008 4.685 4.660 0.028 0.000 0.471 126 W C 0.901 177.434 176.519 0.023 0.000 0.590 126 W CA -0.332 57.017 57.345 0.006 0.000 2.419 126 W CB -0.468 28.980 29.460 -0.019 0.000 1.251 126 W HN 0.020 nan 8.180 nan 0.000 0.338 127 T N -2.305 112.350 114.554 0.169 0.000 2.640 127 T HA -0.017 4.350 4.350 0.028 0.000 0.316 127 T C 0.984 175.746 174.700 0.103 0.000 1.036 127 T CA 0.194 62.354 62.100 0.099 0.000 1.009 127 T CB 0.767 69.657 68.868 0.036 0.000 1.017 127 T HN 0.479 nan 8.240 nan 0.000 0.530 128 Q N -0.246 119.549 119.800 -0.009 0.000 2.439 128 Q HA -0.195 4.162 4.340 0.028 0.000 0.247 128 Q C -0.560 175.197 176.000 -0.404 0.000 0.899 128 Q CA 1.323 57.033 55.803 -0.156 0.000 1.201 128 Q CB -1.371 27.283 28.738 -0.141 0.000 1.608 128 Q HN 0.799 nan 8.270 nan 0.000 0.563 129 H N -1.312 117.722 119.070 -0.060 0.000 3.029 129 H HA 0.196 4.770 4.556 0.028 0.000 0.358 129 H C -0.561 174.699 175.328 -0.113 0.000 1.129 129 H CA -0.426 55.525 56.048 -0.161 0.000 1.230 129 H CB 1.676 31.304 29.762 -0.222 0.000 1.827 129 H HN -0.106 nan 8.280 nan 0.000 0.530 130 T N 1.826 116.365 114.554 -0.025 0.000 2.851 130 T HA 0.072 4.439 4.350 0.028 0.000 0.298 130 T C 1.139 175.785 174.700 -0.090 0.000 0.977 130 T CA 0.378 62.438 62.100 -0.067 0.000 1.126 130 T CB 0.704 69.500 68.868 -0.119 0.000 0.916 130 T HN 0.562 nan 8.240 nan 0.000 0.529 131 T N 1.221 115.735 114.554 -0.067 0.000 3.040 131 T HA 0.096 4.463 4.350 0.028 0.000 0.266 131 T C 1.817 176.478 174.700 -0.065 0.000 1.005 131 T CA 0.194 62.260 62.100 -0.056 0.000 0.906 131 T CB 0.095 68.982 68.868 0.032 0.000 1.082 131 T HN 0.770 nan 8.240 nan 0.000 0.531 132 T N -1.469 113.023 114.554 -0.104 0.000 3.054 132 T HA 0.356 4.723 4.350 0.028 0.000 0.255 132 T C 1.172 175.780 174.700 -0.153 0.000 1.035 132 T CA -0.131 61.917 62.100 -0.087 0.000 0.941 132 T CB 0.166 68.992 68.868 -0.070 0.000 1.026 132 T HN 0.242 nan 8.240 nan 0.000 0.533 133 G N 0.279 108.901 108.800 -0.296 0.000 2.305 133 G HA2 0.481 4.458 3.960 0.028 0.000 0.243 133 G HA3 0.481 4.458 3.960 0.028 0.000 0.243 133 G C 0.280 174.990 174.900 -0.317 0.000 1.288 133 G CA -0.034 44.771 45.100 -0.491 0.000 0.901 133 G HN 0.620 nan 8.290 nan 0.000 0.516 134 G N -0.470 108.221 108.800 -0.182 0.000 3.251 134 G HA2 0.724 4.701 3.960 0.028 0.000 0.248 134 G HA3 0.724 4.701 3.960 0.028 0.000 0.248 134 G C -0.827 174.191 174.900 0.197 0.000 1.320 134 G CA 0.084 45.242 45.100 0.097 0.000 0.982 134 G HN 1.330 nan 8.290 nan 0.000 0.575 135 S N -1.870 114.009 115.700 0.298 0.000 2.535 135 S HA 0.332 4.819 4.470 0.028 0.000 0.272 135 S C 0.524 175.235 174.600 0.186 0.000 1.149 135 S CA -0.525 57.857 58.200 0.304 0.000 0.888 135 S CB 1.733 65.288 63.200 0.592 0.000 1.110 135 S HN 0.553 nan 8.310 nan 0.000 0.463 136 R N 1.948 122.518 120.500 0.116 0.000 2.341 136 R HA -0.002 4.355 4.340 0.028 0.000 0.213 136 R C 1.891 178.220 176.300 0.049 0.000 1.082 136 R CA 1.102 57.242 56.100 0.065 0.000 1.017 136 R CB -0.350 29.975 30.300 0.041 0.000 0.860 136 R HN 0.662 nan 8.270 nan 0.000 0.473 137 A N -0.406 122.452 122.820 0.063 0.000 2.119 137 A HA -0.051 4.286 4.320 0.028 0.000 0.216 137 A C 1.212 178.802 177.584 0.010 0.000 1.152 137 A CA 0.515 52.558 52.037 0.010 0.000 0.708 137 A CB 0.204 19.160 19.000 -0.073 0.000 0.805 137 A HN 0.351 nan 8.150 nan 0.000 0.460 138 c N 0.613 119.235 118.600 0.036 0.000 2.624 138 c HA 0.637 5.224 4.570 0.028 0.000 0.263 138 c C 1.056 175.146 174.090 0.000 0.000 1.587 138 c CA -0.898 55.406 56.329 -0.042 0.000 1.718 138 c CB -1.468 40.959 42.510 -0.138 0.000 3.050 138 c HN 0.619 nan 8.230 nan 0.000 0.517 139 A N 0.763 123.593 122.820 0.016 0.000 2.454 139 A HA 0.458 4.795 4.320 0.028 0.000 0.260 139 A C -0.068 177.525 177.584 0.015 0.000 1.106 139 A CA 0.239 52.290 52.037 0.024 0.000 0.780 139 A CB 0.319 19.332 19.000 0.022 0.000 1.044 139 A HN 0.605 nan 8.150 nan 0.000 0.498 140 V N 3.622 123.549 119.914 0.022 0.000 2.313 140 V HA 0.503 4.640 4.120 0.028 0.000 0.278 140 V C 0.121 176.226 176.094 0.019 0.000 1.017 140 V CA 0.617 62.929 62.300 0.019 0.000 0.823 140 V CB 0.025 31.862 31.823 0.024 0.000 1.010 140 V HN 1.480 nan 8.190 nan 0.000 0.443 141 S N 4.528 120.236 115.700 0.014 0.000 3.968 141 S HA -0.128 4.359 4.470 0.028 0.000 0.373 141 S C 1.366 175.974 174.600 0.012 0.000 0.974 141 S CA 1.082 59.289 58.200 0.012 0.000 1.124 141 S CB -1.683 61.525 63.200 0.013 0.000 0.862 141 S HN 2.585 nan 8.310 nan 0.000 0.492 142 G N 0.306 109.113 108.800 0.012 0.000 2.343 142 G HA2 -0.398 3.579 3.960 0.028 0.000 0.264 142 G HA3 -0.398 3.579 3.960 0.028 0.000 0.264 142 G C -0.040 174.868 174.900 0.014 0.000 0.989 142 G CA 0.692 45.799 45.100 0.011 0.000 0.627 142 G HN 0.696 nan 8.290 nan 0.000 0.549 143 N N 1.681 120.391 118.700 0.017 0.000 2.509 143 N HA 0.512 5.269 4.740 0.028 0.000 0.287 143 N C -2.718 172.810 175.510 0.030 0.000 1.121 143 N CA -1.681 51.380 53.050 0.019 0.000 0.977 143 N CB 1.147 39.644 38.487 0.016 0.000 1.167 143 N HN 0.044 nan 8.380 nan 0.000 0.476 144 P HA 0.094 nan 4.420 nan 0.000 0.267 144 P C -0.284 177.060 177.300 0.073 0.000 1.205 144 P CA 0.335 63.468 63.100 0.056 0.000 0.765 144 P CB 0.763 32.487 31.700 0.039 0.000 0.828 145 S N 2.480 118.245 115.700 0.109 0.000 2.911 145 S HA 0.836 5.323 4.470 0.028 0.000 0.319 145 S C -1.790 172.964 174.600 0.256 0.000 1.154 145 S CA -0.419 57.865 58.200 0.140 0.000 0.857 145 S CB 0.555 63.806 63.200 0.086 0.000 1.279 145 S HN 0.253 nan 8.310 nan 0.000 0.593 146 F N 0.412 120.363 119.950 0.001 0.000 2.719 146 F HA 0.522 5.066 4.527 0.029 0.000 0.309 146 F C -1.596 174.184 175.800 -0.032 0.000 1.138 146 F CA -1.343 56.635 58.000 -0.038 0.000 0.943 146 F CB 0.669 39.746 39.000 0.127 0.000 1.304 146 F HN 0.618 nan 8.300 nan 0.000 0.445 147 F N 5.415 125.006 119.950 -0.599 0.000 2.460 147 F HA -0.014 4.530 4.527 0.028 0.000 0.413 147 F C 1.651 177.409 175.800 -0.071 0.000 0.967 147 F CA 0.142 57.910 58.000 -0.387 0.000 1.122 147 F CB 0.218 38.855 39.000 -0.605 0.000 0.927 147 F HN 0.359 nan 8.300 nan 0.000 0.527 148 R N 2.285 122.883 120.500 0.164 0.000 2.091 148 R HA -0.175 4.182 4.340 0.028 0.000 0.238 148 R C 1.314 177.766 176.300 0.254 0.000 1.136 148 R CA 1.230 57.443 56.100 0.187 0.000 0.959 148 R CB -0.469 29.900 30.300 0.116 0.000 0.856 148 R HN 0.572 nan 8.270 nan 0.000 0.437 149 N N -0.163 118.669 118.700 0.220 0.000 2.515 149 N HA 0.012 4.769 4.740 0.028 0.000 0.185 149 N C 0.386 176.077 175.510 0.302 0.000 1.109 149 N CA 0.700 53.929 53.050 0.299 0.000 0.903 149 N CB 0.190 38.788 38.487 0.186 0.000 0.969 149 N HN 0.109 nan 8.380 nan 0.000 0.450 150 M N -0.223 119.548 119.600 0.286 0.000 2.811 150 M HA 0.441 4.938 4.480 0.028 0.000 0.303 150 M C -0.343 176.206 176.300 0.415 0.000 1.227 150 M CA -1.012 54.479 55.300 0.319 0.000 0.874 150 M CB 1.734 34.535 32.600 0.336 0.000 1.681 150 M HN -0.440 nan 8.290 nan 0.000 0.500 151 V N 0.648 120.761 119.914 0.332 0.000 2.623 151 V HA 0.295 4.432 4.120 0.028 0.000 0.304 151 V C -1.556 174.578 176.094 0.068 0.000 1.054 151 V CA -0.725 61.691 62.300 0.194 0.000 0.882 151 V CB 2.596 34.452 31.823 0.054 0.000 1.002 151 V HN 0.870 nan 8.190 nan 0.000 0.424 152 W N 6.748 127.863 121.300 -0.309 0.000 2.226 152 W HA 0.488 5.166 4.660 0.029 0.000 0.379 152 W C -0.878 175.440 176.519 -0.335 0.000 0.923 152 W CA -1.632 55.442 57.345 -0.451 0.000 1.524 152 W CB 0.550 29.497 29.460 -0.855 0.000 1.552 152 W HN 0.353 nan 8.180 nan 0.000 0.337 153 L N 5.066 126.290 121.223 0.002 0.000 2.534 153 L HA 0.104 4.461 4.340 0.028 0.000 0.271 153 L C 1.163 178.172 176.870 0.231 0.000 1.178 153 L CA 0.743 55.502 54.840 -0.135 0.000 0.907 153 L CB -0.116 41.636 42.059 -0.513 0.000 1.164 153 L HN 0.392 nan 8.230 nan 0.000 0.482 154 T N -0.377 114.230 114.554 0.088 0.000 2.887 154 T HA 0.556 4.923 4.350 0.028 0.000 0.292 154 T C -0.391 174.408 174.700 0.165 0.000 1.087 154 T CA -1.143 61.046 62.100 0.149 0.000 1.009 154 T CB 1.281 69.954 68.868 -0.326 0.000 1.203 154 T HN 0.575 nan 8.240 nan 0.000 0.518 155 E N 0.926 121.259 120.200 0.222 0.000 2.529 155 E HA 0.108 4.475 4.350 0.028 0.000 0.259 155 E C -0.374 176.213 176.600 -0.023 0.000 0.966 155 E CA -0.393 56.104 56.400 0.161 0.000 0.937 155 E CB 0.452 30.225 29.700 0.122 0.000 0.923 155 E HN 0.682 nan 8.360 nan 0.000 0.468 156 K N 2.796 123.147 120.400 -0.082 0.000 2.324 156 K HA 0.425 4.762 4.320 0.028 0.000 0.253 156 K C 0.500 177.049 176.600 -0.084 0.000 0.932 156 K CA 0.098 56.326 56.287 -0.099 0.000 0.799 156 K CB 1.395 33.819 32.500 -0.127 0.000 1.154 156 K HN 0.797 nan 8.250 nan 0.000 0.425 157 G N 1.978 110.740 108.800 -0.064 0.000 2.557 157 G HA2 -0.278 3.699 3.960 0.028 0.000 0.292 157 G HA3 -0.278 3.699 3.960 0.028 0.000 0.292 157 G C -0.064 174.814 174.900 -0.037 0.000 1.162 157 G CA 0.291 45.362 45.100 -0.048 0.000 0.964 157 G HN 0.576 nan 8.290 nan 0.000 0.541 158 S N 1.406 117.091 115.700 -0.025 0.000 2.665 158 S HA 0.473 4.960 4.470 0.028 0.000 0.235 158 S C -0.536 174.071 174.600 0.012 0.000 1.084 158 S CA 0.129 58.325 58.200 -0.007 0.000 1.151 158 S CB 0.129 63.325 63.200 -0.007 0.000 1.151 158 S HN 0.874 nan 8.310 nan 0.000 0.461 159 N N 0.866 119.572 118.700 0.010 0.000 2.425 159 N HA 0.217 4.974 4.740 0.028 0.000 0.289 159 N C -1.984 173.541 175.510 0.025 0.000 1.074 159 N CA -0.292 52.770 53.050 0.020 0.000 0.905 159 N CB 1.258 39.731 38.487 -0.024 0.000 1.586 159 N HN 0.290 nan 8.380 nan 0.000 0.490 160 Y N 4.508 124.799 120.300 -0.016 0.000 2.842 160 Y HA 0.477 5.044 4.550 0.028 0.000 0.334 160 Y C -2.178 173.749 175.900 0.045 0.000 1.019 160 Y CA -1.780 56.336 58.100 0.027 0.000 1.258 160 Y CB 0.991 39.538 38.460 0.145 0.000 1.106 160 Y HN 0.407 nan 8.280 nan 0.000 0.545 161 P HA -0.020 nan 4.420 nan 0.000 0.269 161 P C -0.549 176.910 177.300 0.265 0.000 1.215 161 P CA -0.132 63.006 63.100 0.062 0.000 0.780 161 P CB 0.824 32.481 31.700 -0.072 0.000 0.898 162 V N 1.457 121.511 119.914 0.234 0.000 2.539 162 V HA 0.009 4.146 4.120 0.028 0.000 0.294 162 V C 1.019 177.282 176.094 0.282 0.000 0.994 162 V CA 0.396 62.841 62.300 0.241 0.000 1.169 162 V CB -1.270 30.660 31.823 0.179 0.000 0.898 162 V HN 0.663 nan 8.190 nan 0.000 0.471 163 A N 6.897 129.880 122.820 0.272 0.000 2.396 163 A HA 0.465 4.802 4.320 0.028 0.000 0.279 163 A C 0.293 178.043 177.584 0.276 0.000 1.165 163 A CA -0.265 51.895 52.037 0.205 0.000 0.824 163 A CB 0.033 18.892 19.000 -0.234 0.000 1.100 163 A HN 0.846 nan 8.150 nan 0.000 0.516 164 K N 1.341 121.941 120.400 0.333 0.000 2.316 164 K HA 0.694 5.031 4.320 0.028 0.000 0.251 164 K C -0.241 176.474 176.600 0.193 0.000 0.934 164 K CA -0.426 56.010 56.287 0.248 0.000 0.802 164 K CB 2.573 35.162 32.500 0.149 0.000 1.171 164 K HN 0.863 nan 8.250 nan 0.000 0.426 165 G N 0.622 109.549 108.800 0.212 0.000 2.715 165 G HA2 0.378 4.355 3.960 0.028 0.000 0.297 165 G HA3 0.378 4.355 3.960 0.028 0.000 0.297 165 G C -1.217 173.811 174.900 0.215 0.000 1.386 165 G CA -0.486 44.663 45.100 0.083 0.000 1.157 165 G HN 0.508 nan 8.290 nan 0.000 0.585 166 S N 0.701 116.465 115.700 0.107 0.000 2.709 166 S HA 0.892 5.379 4.470 0.028 0.000 0.302 166 S C -1.325 173.381 174.600 0.177 0.000 1.127 166 S CA -0.999 57.266 58.200 0.108 0.000 0.905 166 S CB 2.357 65.570 63.200 0.022 0.000 1.151 166 S HN 1.749 nan 8.310 nan 0.000 0.510 167 Y N 1.495 121.801 120.300 0.011 0.000 2.313 167 Y HA 0.459 5.026 4.550 0.028 0.000 0.320 167 Y C -1.276 174.629 175.900 0.009 0.000 1.171 167 Y CA -0.666 57.446 58.100 0.018 0.000 1.093 167 Y CB 1.127 39.621 38.460 0.058 0.000 1.224 167 Y HN 0.866 nan 8.280 nan 0.000 0.421 168 N N 4.566 122.877 118.700 -0.649 0.000 2.430 168 N HA 0.086 4.843 4.740 0.028 0.000 0.265 168 N C -0.899 174.038 175.510 -0.955 0.000 1.100 168 N CA -0.000 52.723 53.050 -0.545 0.000 0.961 168 N CB 0.586 38.926 38.487 -0.244 0.000 1.075 168 N HN 0.777 nan 8.380 nan 0.000 0.478 169 N N 2.253 120.619 118.700 -0.556 0.000 2.399 169 N HA 0.052 4.809 4.740 0.028 0.000 0.259 169 N C 0.334 175.688 175.510 -0.259 0.000 1.160 169 N CA 0.024 52.888 53.050 -0.309 0.000 0.946 169 N CB 0.272 38.753 38.487 -0.011 0.000 1.156 169 N HN 0.559 nan 8.380 nan 0.000 0.489 170 T N -1.396 113.046 114.554 -0.186 0.000 3.010 170 T HA 0.001 4.368 4.350 0.028 0.000 0.257 170 T C 1.406 175.999 174.700 -0.178 0.000 1.020 170 T CA 0.210 62.238 62.100 -0.121 0.000 0.938 170 T CB -0.422 68.512 68.868 0.110 0.000 1.049 170 T HN 0.388 nan 8.240 nan 0.000 0.522 171 S N 1.551 117.189 115.700 -0.103 0.000 2.641 171 S HA 0.252 4.739 4.470 0.028 0.000 0.239 171 S C 2.056 176.578 174.600 -0.129 0.000 0.972 171 S CA 0.403 58.571 58.200 -0.052 0.000 0.954 171 S CB -1.381 61.829 63.200 0.016 0.000 0.767 171 S HN 1.228 nan 8.310 nan 0.000 0.539 172 G N 0.004 108.598 108.800 -0.343 0.000 2.168 172 G HA2 -0.258 3.719 3.960 0.028 0.000 0.257 172 G HA3 -0.258 3.719 3.960 0.028 0.000 0.257 172 G C -0.221 174.553 174.900 -0.211 0.000 0.997 172 G CA 0.571 45.468 45.100 -0.338 0.000 0.708 172 G HN 0.662 nan 8.290 nan 0.000 0.520 173 E N -0.786 119.306 120.200 -0.180 0.000 2.383 173 E HA 0.351 4.718 4.350 0.028 0.000 0.275 173 E C -0.102 176.453 176.600 -0.076 0.000 0.918 173 E CA -0.940 55.408 56.400 -0.086 0.000 0.764 173 E CB 1.188 30.892 29.700 0.005 0.000 1.252 173 E HN 0.300 nan 8.360 nan 0.000 0.449 174 Q N 1.336 121.119 119.800 -0.029 0.000 2.326 174 Q HA -0.002 4.355 4.340 0.028 0.000 0.314 174 Q C -0.555 175.480 176.000 0.057 0.000 1.091 174 Q CA 0.993 56.807 55.803 0.019 0.000 0.974 174 Q CB 0.546 29.318 28.738 0.058 0.000 1.220 174 Q HN 0.347 nan 8.270 nan 0.000 0.398 175 M N 3.892 123.549 119.600 0.095 0.000 2.190 175 M HA 0.271 4.768 4.480 0.028 0.000 0.312 175 M C -1.435 174.993 176.300 0.213 0.000 0.990 175 M CA -1.053 54.326 55.300 0.132 0.000 0.927 175 M CB 1.002 33.679 32.600 0.128 0.000 1.571 175 M HN 0.550 nan 8.290 nan 0.000 0.427 176 L N 7.000 128.374 121.223 0.251 0.000 2.410 176 L HA 0.493 4.850 4.340 0.028 0.000 0.273 176 L C -1.449 175.663 176.870 0.403 0.000 1.144 176 L CA 0.625 55.669 54.840 0.340 0.000 0.863 176 L CB 0.286 42.512 42.059 0.278 0.000 1.140 176 L HN 0.643 nan 8.230 nan 0.000 0.463 177 I N 6.596 127.444 120.570 0.463 0.000 2.499 177 I HA 0.383 4.570 4.170 0.028 0.000 0.288 177 I C -0.657 175.821 176.117 0.601 0.000 1.048 177 I CA -0.472 61.122 61.300 0.489 0.000 1.062 177 I CB 1.822 40.097 38.000 0.458 0.000 1.238 177 I HN 0.525 nan 8.210 nan 0.000 0.426 178 I N 5.250 126.130 120.570 0.517 0.000 2.493 178 I HA 0.467 4.654 4.170 0.028 0.000 0.298 178 I C -0.820 175.572 176.117 0.458 0.000 0.998 178 I CA -0.489 61.051 61.300 0.399 0.000 1.137 178 I CB 1.702 39.863 38.000 0.268 0.000 1.310 178 I HN 0.672 nan 8.210 nan 0.000 0.445 179 W N 4.329 125.757 121.300 0.213 0.000 3.060 179 W HA 0.905 5.582 4.660 0.029 0.000 0.346 179 W C -0.912 175.611 176.519 0.006 0.000 1.194 179 W CA -0.987 56.430 57.345 0.120 0.000 1.105 179 W CB 0.881 30.444 29.460 0.171 0.000 1.487 179 W HN 0.580 nan 8.180 nan 0.000 0.592 180 G N -0.037 108.788 108.800 0.041 0.000 2.704 180 G HA2 0.622 4.599 3.960 0.028 0.000 0.293 180 G HA3 0.622 4.599 3.960 0.028 0.000 0.293 180 G C -2.533 172.175 174.900 -0.319 0.000 1.421 180 G CA -0.996 43.812 45.100 -0.487 0.000 0.870 180 G HN 0.744 nan 8.290 nan 0.000 0.492 181 V N 1.441 121.068 119.914 -0.479 0.000 2.577 181 V HA 0.389 4.526 4.120 0.028 0.000 0.303 181 V C -0.584 175.134 176.094 -0.626 0.000 1.042 181 V CA -0.876 61.174 62.300 -0.416 0.000 0.872 181 V CB 1.652 33.298 31.823 -0.295 0.000 0.998 181 V HN 0.892 nan 8.190 nan 0.000 0.423 182 H N 5.231 123.941 119.070 -0.599 0.000 2.562 182 H HA 0.389 4.962 4.556 0.028 0.000 0.314 182 H C -1.084 174.000 175.328 -0.407 0.000 1.079 182 H CA -0.610 55.141 56.048 -0.495 0.000 1.349 182 H CB 0.861 30.434 29.762 -0.315 0.000 1.432 182 H HN 0.670 nan 8.280 nan 0.000 0.479 183 H N 6.644 125.428 119.070 -0.476 0.000 2.690 183 H HA 0.230 4.803 4.556 0.028 0.000 0.280 183 H C -2.343 172.719 175.328 -0.443 0.000 1.138 183 H CA -2.242 53.590 56.048 -0.360 0.000 1.241 183 H CB 0.987 30.656 29.762 -0.156 0.000 1.394 183 H HN 0.550 nan 8.280 nan 0.000 0.489 184 P HA -0.026 nan 4.420 nan 0.000 0.270 184 P C 1.103 178.424 177.300 0.036 0.000 1.223 184 P CA -0.129 62.925 63.100 -0.077 0.000 0.785 184 P CB 1.165 32.921 31.700 0.093 0.000 0.923 185 N N 0.732 119.487 118.700 0.091 0.000 2.409 185 N HA -0.078 4.679 4.740 0.028 0.000 0.179 185 N C -0.564 174.980 175.510 0.058 0.000 1.032 185 N CA 0.734 53.828 53.050 0.073 0.000 0.898 185 N CB -0.111 38.427 38.487 0.085 0.000 0.971 185 N HN 0.550 nan 8.380 nan 0.000 0.441 186 D N -3.158 117.283 120.400 0.068 0.000 2.648 186 D HA 0.073 4.730 4.640 0.028 0.000 0.244 186 D C 0.017 176.355 176.300 0.063 0.000 1.244 186 D CA -0.713 53.320 54.000 0.055 0.000 0.772 186 D CB 0.519 41.347 40.800 0.048 0.000 1.379 186 D HN -0.077 nan 8.370 nan 0.000 0.428 187 E N 0.014 120.244 120.200 0.051 0.000 2.267 187 E HA -0.204 4.163 4.350 0.028 0.000 0.197 187 E C 0.911 177.546 176.600 0.058 0.000 0.998 187 E CA 1.538 57.971 56.400 0.054 0.000 0.830 187 E CB 0.089 29.813 29.700 0.040 0.000 0.751 187 E HN 0.536 nan 8.360 nan 0.000 0.491 188 T N 0.534 115.118 114.554 0.049 0.000 2.668 188 T HA -0.200 4.167 4.350 0.028 0.000 0.262 188 T C 1.638 176.367 174.700 0.048 0.000 1.045 188 T CA 1.416 63.541 62.100 0.041 0.000 1.152 188 T CB -0.298 68.589 68.868 0.031 0.000 0.864 188 T HN 0.344 nan 8.240 nan 0.000 0.419 189 E N 0.573 120.812 120.200 0.065 0.000 2.136 189 E HA -0.346 4.021 4.350 0.028 0.000 0.202 189 E C 2.250 178.913 176.600 0.106 0.000 1.019 189 E CA 1.823 58.274 56.400 0.084 0.000 0.819 189 E CB -0.136 29.646 29.700 0.136 0.000 0.739 189 E HN 0.406 nan 8.360 nan 0.000 0.458 190 Q N 0.703 120.596 119.800 0.155 0.000 2.096 190 Q HA -0.178 4.179 4.340 0.028 0.000 0.204 190 Q C 2.111 178.224 176.000 0.188 0.000 0.982 190 Q CA 1.973 57.925 55.803 0.249 0.000 0.850 190 Q CB -0.094 28.755 28.738 0.185 0.000 0.901 190 Q HN 0.216 nan 8.270 nan 0.000 0.422 191 R N -0.659 119.896 120.500 0.092 0.000 2.062 191 R HA -0.043 4.314 4.340 0.028 0.000 0.229 191 R C 2.207 178.507 176.300 -0.001 0.000 1.128 191 R CA 1.690 57.823 56.100 0.055 0.000 0.960 191 R CB -0.428 29.896 30.300 0.040 0.000 0.855 191 R HN 0.539 nan 8.270 nan 0.000 0.432 192 T N -1.404 113.132 114.554 -0.030 0.000 3.163 192 T HA 0.079 4.446 4.350 0.028 0.000 0.260 192 T C 1.571 176.163 174.700 -0.179 0.000 1.156 192 T CA 0.552 62.605 62.100 -0.077 0.000 1.072 192 T CB 0.015 68.847 68.868 -0.060 0.000 0.937 192 T HN 0.114 nan 8.240 nan 0.000 0.528 193 L N -1.926 119.125 121.223 -0.287 0.000 2.609 193 L HA 0.362 4.720 4.340 0.028 0.000 0.230 193 L C 0.960 177.370 176.870 -0.767 0.000 1.064 193 L CA 0.292 54.720 54.840 -0.687 0.000 0.873 193 L CB 0.410 41.830 42.059 -1.064 0.000 1.139 193 L HN 0.281 nan 8.230 nan 0.000 0.490 194 Y N -2.564 117.745 120.300 0.016 0.000 2.729 194 Y HA 0.178 4.745 4.550 0.028 0.000 0.266 194 Y C 1.402 177.291 175.900 -0.017 0.000 1.064 194 Y CA -0.375 57.702 58.100 -0.039 0.000 1.251 194 Y CB 0.621 38.922 38.460 -0.264 0.000 1.379 194 Y HN -0.125 nan 8.280 nan 0.000 0.569 195 Q N 0.090 119.957 119.800 0.112 0.000 2.234 195 Q HA -0.277 4.080 4.340 0.028 0.000 0.178 195 Q C -0.446 175.597 176.000 0.071 0.000 2.907 195 Q CA 2.155 58.008 55.803 0.084 0.000 0.208 195 Q CB -1.570 27.228 28.738 0.099 0.000 0.209 195 Q HN 0.674 nan 8.270 nan 0.000 0.389 196 N N -0.407 118.328 118.700 0.059 0.000 2.399 196 N HA 0.277 5.034 4.740 0.028 0.000 0.250 196 N C 1.065 176.587 175.510 0.021 0.000 1.272 196 N CA 0.398 53.463 53.050 0.025 0.000 0.928 196 N CB 0.691 39.168 38.487 -0.018 0.000 1.158 196 N HN 0.045 nan 8.380 nan 0.000 0.463 197 V N -0.813 119.112 119.914 0.019 0.000 3.371 197 V HA 0.231 4.368 4.120 0.028 0.000 0.246 197 V C 1.280 177.383 176.094 0.015 0.000 1.303 197 V CA 0.316 62.629 62.300 0.022 0.000 1.156 197 V CB 0.316 32.158 31.823 0.031 0.000 0.929 197 V HN 0.835 nan 8.190 nan 0.000 0.459 198 G N 2.912 111.728 108.800 0.027 0.000 3.541 198 G HA2 0.347 4.324 3.960 0.028 0.000 0.253 198 G HA3 0.347 4.324 3.960 0.028 0.000 0.253 198 G C 0.471 175.415 174.900 0.073 0.000 1.017 198 G CA 0.551 45.679 45.100 0.048 0.000 1.832 198 G HN 0.481 nan 8.290 nan 0.000 0.649 199 T N -1.240 113.318 114.554 0.007 0.000 2.881 199 T HA 0.711 5.078 4.350 0.028 0.000 0.278 199 T C -0.366 174.356 174.700 0.037 0.000 0.982 199 T CA -0.722 61.337 62.100 -0.068 0.000 0.989 199 T CB 1.529 70.233 68.868 -0.273 0.000 1.058 199 T HN 0.677 nan 8.240 nan 0.000 0.529 200 Y N -2.096 118.152 120.300 -0.085 0.000 2.609 200 Y HA 0.704 5.271 4.550 0.028 0.000 0.336 200 Y C -1.914 173.955 175.900 -0.052 0.000 1.129 200 Y CA -1.673 56.395 58.100 -0.052 0.000 1.040 200 Y CB 0.853 39.300 38.460 -0.021 0.000 1.310 200 Y HN 0.528 nan 8.280 nan 0.000 0.460 201 V N 2.340 122.307 119.914 0.088 0.000 2.444 201 V HA 0.604 4.741 4.120 0.028 0.000 0.294 201 V C -0.748 175.441 176.094 0.157 0.000 1.022 201 V CA -0.494 61.827 62.300 0.035 0.000 0.850 201 V CB 1.528 33.357 31.823 0.009 0.000 0.992 201 V HN 0.836 nan 8.190 nan 0.000 0.426 202 S N 4.045 119.836 115.700 0.152 0.000 2.552 202 S HA 0.798 5.285 4.470 0.028 0.000 0.314 202 S C -0.973 173.594 174.600 -0.055 0.000 1.099 202 S CA -0.402 57.863 58.200 0.108 0.000 1.070 202 S CB 1.420 64.742 63.200 0.204 0.000 0.998 202 S HN 0.473 nan 8.310 nan 0.000 0.474 203 V N 3.886 123.684 119.914 -0.195 0.000 2.588 203 V HA 0.873 5.010 4.120 0.028 0.000 0.304 203 V C 0.533 176.416 176.094 -0.351 0.000 1.042 203 V CA -0.393 61.614 62.300 -0.488 0.000 0.877 203 V CB 1.727 32.924 31.823 -1.044 0.000 0.996 203 V HN 0.964 nan 8.190 nan 0.000 0.425 204 G N 2.082 110.662 108.800 -0.367 0.000 2.659 204 G HA2 0.818 4.795 3.960 0.028 0.000 0.296 204 G HA3 0.818 4.795 3.960 0.028 0.000 0.296 204 G C -0.628 174.151 174.900 -0.201 0.000 1.369 204 G CA 0.081 45.051 45.100 -0.217 0.000 0.937 204 G HN 0.883 nan 8.290 nan 0.000 0.485 205 T N -2.814 111.671 114.554 -0.115 0.000 2.618 205 T HA 0.488 4.855 4.350 0.028 0.000 0.286 205 T C 1.272 175.949 174.700 -0.039 0.000 1.027 205 T CA 0.274 62.329 62.100 -0.075 0.000 1.063 205 T CB 1.013 69.854 68.868 -0.045 0.000 1.440 205 T HN 0.365 nan 8.240 nan 0.000 0.505 206 S N -0.286 115.404 115.700 -0.016 0.000 2.507 206 S HA 0.057 4.544 4.470 0.028 0.000 0.235 206 S C 1.371 175.971 174.600 0.000 0.000 0.988 206 S CA 1.276 59.474 58.200 -0.003 0.000 0.944 206 S CB -0.483 62.725 63.200 0.013 0.000 0.762 206 S HN 0.805 nan 8.310 nan 0.000 0.526 207 T N 0.082 114.636 114.554 -0.001 0.000 3.048 207 T HA 0.326 4.693 4.350 0.028 0.000 0.254 207 T C -0.129 174.570 174.700 -0.000 0.000 0.942 207 T CA -0.313 61.790 62.100 0.005 0.000 0.931 207 T CB 0.116 68.994 68.868 0.017 0.000 1.220 207 T HN 0.141 nan 8.240 nan 0.000 0.503 208 L N 2.999 124.217 121.223 -0.008 0.000 2.357 208 L HA 0.745 5.102 4.340 0.028 0.000 0.273 208 L C -0.746 176.108 176.870 -0.027 0.000 1.080 208 L CA -0.294 54.541 54.840 -0.008 0.000 0.803 208 L CB 1.230 43.288 42.059 -0.000 0.000 1.174 208 L HN 0.132 nan 8.230 nan 0.000 0.443 209 N N 2.847 121.539 118.700 -0.012 0.000 2.747 209 N HA 0.312 5.069 4.740 0.028 0.000 0.262 209 N C -1.769 173.745 175.510 0.006 0.000 1.261 209 N CA -0.485 52.553 53.050 -0.021 0.000 0.809 209 N CB 0.628 39.104 38.487 -0.018 0.000 1.450 209 N HN 0.653 nan 8.380 nan 0.000 0.560 210 K N 2.277 122.685 120.400 0.013 0.000 2.443 210 K HA 0.517 4.854 4.320 0.028 0.000 0.252 210 K C -1.275 175.364 176.600 0.065 0.000 0.933 210 K CA -0.769 55.560 56.287 0.070 0.000 0.792 210 K CB 1.494 34.101 32.500 0.178 0.000 1.185 210 K HN 0.495 nan 8.250 nan 0.000 0.425 211 R N 2.297 122.839 120.500 0.071 0.000 2.534 211 R HA 0.444 4.801 4.340 0.028 0.000 0.301 211 R C -1.455 174.908 176.300 0.104 0.000 0.961 211 R CA -0.453 55.697 56.100 0.084 0.000 0.871 211 R CB 1.800 32.120 30.300 0.033 0.000 1.170 211 R HN 0.648 nan 8.270 nan 0.000 0.446 212 S N 1.718 117.499 115.700 0.135 0.000 2.538 212 S HA 0.408 4.895 4.470 0.028 0.000 0.288 212 S C -0.862 173.809 174.600 0.118 0.000 1.108 212 S CA -0.803 57.470 58.200 0.122 0.000 0.971 212 S CB 2.038 65.320 63.200 0.136 0.000 1.041 212 S HN 0.685 nan 8.310 nan 0.000 0.483 213 T N 0.547 115.162 114.554 0.101 0.000 2.859 213 T HA 0.697 5.064 4.350 0.028 0.000 0.281 213 T C -3.034 171.726 174.700 0.099 0.000 1.005 213 T CA -2.366 59.786 62.100 0.087 0.000 1.025 213 T CB 0.892 69.804 68.868 0.073 0.000 0.977 213 T HN 0.210 nan 8.240 nan 0.000 0.458 214 P HA 0.373 nan 4.420 nan 0.000 0.274 214 P C -0.947 176.450 177.300 0.162 0.000 1.231 214 P CA -0.458 62.741 63.100 0.165 0.000 0.790 214 P CB 0.398 32.097 31.700 -0.001 0.000 0.951 215 D N 2.048 122.580 120.400 0.221 0.000 2.427 215 D HA 0.307 4.964 4.640 0.028 0.000 0.226 215 D C -0.051 176.242 176.300 -0.012 0.000 1.076 215 D CA -0.027 53.940 54.000 -0.055 0.000 0.849 215 D CB 0.629 41.233 40.800 -0.326 0.000 1.052 215 D HN 0.216 nan 8.370 nan 0.000 0.515 216 I N 2.072 122.645 120.570 0.006 0.000 2.297 216 I HA 0.533 4.720 4.170 0.028 0.000 0.291 216 I C 0.229 176.348 176.117 0.003 0.000 1.033 216 I CA -0.143 61.166 61.300 0.015 0.000 1.253 216 I CB 0.901 38.919 38.000 0.030 0.000 1.396 216 I HN 0.324 nan 8.210 nan 0.000 0.476 217 A N 3.956 126.778 122.820 0.002 0.000 2.608 217 A HA 0.651 4.988 4.320 0.028 0.000 0.292 217 A C -0.549 177.041 177.584 0.009 0.000 1.066 217 A CA -0.615 51.422 52.037 -0.001 0.000 0.676 217 A CB 1.196 20.184 19.000 -0.020 0.000 1.277 217 A HN 0.432 nan 8.150 nan 0.000 0.413 218 T N 1.612 116.172 114.554 0.011 0.000 2.907 218 T HA 0.586 4.953 4.350 0.028 0.000 0.298 218 T C 0.072 174.780 174.700 0.013 0.000 1.017 218 T CA 0.106 62.216 62.100 0.016 0.000 1.118 218 T CB 0.206 69.083 68.868 0.015 0.000 0.948 218 T HN 0.581 nan 8.240 nan 0.000 0.531 219 R N 1.876 122.387 120.500 0.019 0.000 2.774 219 R HA 0.428 4.785 4.340 0.028 0.000 0.272 219 R C -2.871 173.439 176.300 0.017 0.000 1.000 219 R CA -2.067 54.043 56.100 0.016 0.000 0.906 219 R CB 0.930 31.242 30.300 0.020 0.000 1.227 219 R HN 0.390 nan 8.270 nan 0.000 0.468 220 P HA -0.043 nan 4.420 nan 0.000 0.265 220 P C -0.905 176.403 177.300 0.014 0.000 1.187 220 P CA 0.228 63.336 63.100 0.013 0.000 0.766 220 P CB 0.478 32.185 31.700 0.012 0.000 0.820 221 K N 1.438 121.844 120.400 0.011 0.000 2.297 221 K HA 0.348 4.685 4.320 0.028 0.000 0.286 221 K C -0.668 175.932 176.600 0.000 0.000 1.053 221 K CA -0.506 55.784 56.287 0.006 0.000 0.940 221 K CB 0.745 33.248 32.500 0.005 0.000 1.019 221 K HN 0.168 nan 8.250 nan 0.000 0.475 222 V N 4.443 124.352 119.914 -0.009 0.000 2.409 222 V HA 0.095 4.232 4.120 0.028 0.000 0.291 222 V C -0.175 175.896 176.094 -0.038 0.000 1.020 222 V CA -1.002 61.290 62.300 -0.013 0.000 0.848 222 V CB 1.303 33.125 31.823 -0.002 0.000 0.990 222 V HN 0.882 nan 8.190 nan 0.000 0.430 223 N N 3.964 122.647 118.700 -0.028 0.000 2.714 223 N HA -0.212 4.545 4.740 0.028 0.000 0.252 223 N C 1.216 176.699 175.510 -0.044 0.000 1.014 223 N CA 1.255 54.283 53.050 -0.037 0.000 0.735 223 N CB -0.999 37.455 38.487 -0.055 0.000 0.924 223 N HN 1.532 nan 8.380 nan 0.000 0.540 224 G N -1.214 107.571 108.800 -0.025 0.000 2.212 224 G HA2 -0.321 3.656 3.960 0.028 0.000 0.267 224 G HA3 -0.321 3.656 3.960 0.028 0.000 0.267 224 G C 0.016 174.904 174.900 -0.020 0.000 1.002 224 G CA 0.748 45.839 45.100 -0.015 0.000 0.729 224 G HN 0.497 nan 8.290 nan 0.000 0.517 225 L N -0.309 120.887 121.223 -0.045 0.000 2.333 225 L HA 0.597 4.954 4.340 0.028 0.000 0.280 225 L C 1.515 178.378 176.870 -0.012 0.000 1.004 225 L CA -0.070 54.738 54.840 -0.054 0.000 0.820 225 L CB 1.735 43.673 42.059 -0.202 0.000 1.247 225 L HN 0.101 nan 8.230 nan 0.000 0.416 226 G N 1.103 109.922 108.800 0.032 0.000 2.595 226 G HA2 -0.043 3.934 3.960 0.028 0.000 0.213 226 G HA3 -0.043 3.934 3.960 0.028 0.000 0.213 226 G C 0.696 175.642 174.900 0.076 0.000 1.141 226 G CA 0.197 45.325 45.100 0.046 0.000 0.806 226 G HN 0.605 nan 8.290 nan 0.000 0.530 227 S N 0.285 116.062 115.700 0.127 0.000 2.606 227 S HA 0.636 5.123 4.470 0.028 0.000 0.257 227 S C -0.019 174.724 174.600 0.239 0.000 1.327 227 S CA -0.246 58.073 58.200 0.198 0.000 0.984 227 S CB 1.225 64.664 63.200 0.398 0.000 0.941 227 S HN 0.236 nan 8.310 nan 0.000 0.576 228 R N -0.350 120.321 120.500 0.285 0.000 2.707 228 R HA 0.438 4.795 4.340 0.028 0.000 0.272 228 R C -1.291 175.169 176.300 0.267 0.000 1.011 228 R CA -0.548 55.744 56.100 0.320 0.000 0.893 228 R CB 1.812 32.248 30.300 0.228 0.000 1.233 228 R HN 0.663 nan 8.270 nan 0.000 0.464 229 M N 1.538 121.282 119.600 0.241 0.000 2.181 229 M HA 0.299 4.796 4.480 0.028 0.000 0.323 229 M C -0.378 175.773 176.300 -0.248 0.000 1.004 229 M CA -0.408 54.809 55.300 -0.138 0.000 0.941 229 M CB 2.253 34.729 32.600 -0.206 0.000 1.579 229 M HN 0.441 nan 8.290 nan 0.000 0.427 230 E N 4.074 124.004 120.200 -0.449 0.000 2.063 230 E HA 0.393 4.760 4.350 0.028 0.000 0.265 230 E C -1.632 174.634 176.600 -0.557 0.000 0.919 230 E CA -0.402 55.822 56.400 -0.293 0.000 0.756 230 E CB 0.809 30.485 29.700 -0.039 0.000 1.120 230 E HN 0.417 nan 8.360 nan 0.000 0.414 231 F N 1.935 121.622 119.950 -0.438 0.000 2.394 231 F HA 0.348 4.892 4.527 0.028 0.000 0.340 231 F C 0.581 175.857 175.800 -0.875 0.000 1.105 231 F CA -0.315 57.233 58.000 -0.753 0.000 1.124 231 F CB 1.737 40.084 39.000 -1.088 0.000 1.145 231 F HN 0.232 nan 8.300 nan 0.000 0.505 232 S N 2.447 117.647 115.700 -0.833 0.000 2.671 232 S HA 0.618 5.105 4.470 0.028 0.000 0.299 232 S C -1.465 172.599 174.600 -0.893 0.000 1.116 232 S CA -0.817 56.886 58.200 -0.828 0.000 0.912 232 S CB 2.199 64.819 63.200 -0.966 0.000 1.130 232 S HN 0.708 nan 8.310 nan 0.000 0.501 233 W N -0.027 120.892 121.300 -0.634 0.000 3.083 233 W HA 0.762 5.438 4.660 0.028 0.000 0.333 233 W C -1.257 175.310 176.519 0.080 0.000 1.217 233 W CA -0.697 56.513 57.345 -0.224 0.000 1.170 233 W CB 0.844 30.368 29.460 0.106 0.000 1.437 233 W HN 0.696 nan 8.180 nan 0.000 0.557 234 T N 0.832 115.692 114.554 0.509 0.000 2.865 234 T HA 0.600 4.967 4.350 0.028 0.000 0.294 234 T C -1.670 173.316 174.700 0.477 0.000 1.119 234 T CA -0.721 61.567 62.100 0.314 0.000 1.007 234 T CB 1.836 70.906 68.868 0.337 0.000 1.225 234 T HN 0.489 nan 8.240 nan 0.000 0.515 235 L N 3.627 125.048 121.223 0.331 0.000 2.321 235 L HA 0.461 4.818 4.340 0.028 0.000 0.272 235 L C -0.535 176.459 176.870 0.206 0.000 1.050 235 L CA -0.910 54.121 54.840 0.320 0.000 0.893 235 L CB 0.955 43.199 42.059 0.308 0.000 1.272 235 L HN 0.539 nan 8.230 nan 0.000 0.435 236 L N 3.584 124.929 121.223 0.204 0.000 2.500 236 L HA 0.117 4.474 4.340 0.028 0.000 0.272 236 L C 0.336 177.261 176.870 0.093 0.000 1.149 236 L CA 0.491 55.416 54.840 0.141 0.000 0.897 236 L CB 0.118 42.280 42.059 0.171 0.000 1.178 236 L HN 0.406 nan 8.230 nan 0.000 0.473 237 D N 4.133 124.568 120.400 0.058 0.000 2.363 237 D HA 0.141 4.798 4.640 0.028 0.000 0.240 237 D C 0.337 176.602 176.300 -0.057 0.000 1.236 237 D CA 0.025 54.037 54.000 0.020 0.000 0.927 237 D CB 0.503 41.325 40.800 0.037 0.000 1.150 237 D HN 0.511 nan 8.370 nan 0.000 0.458 238 M N 0.638 120.151 119.600 -0.145 0.000 2.303 238 M HA -0.023 4.474 4.480 0.028 0.000 0.350 238 M C 0.053 176.163 176.300 -0.317 0.000 1.518 238 M CA 0.675 55.697 55.300 -0.463 0.000 1.070 238 M CB -0.057 32.192 32.600 -0.584 0.000 1.910 238 M HN 0.602 nan 8.290 nan 0.000 0.458 239 W N -0.452 120.844 121.300 -0.007 0.000 1.828 239 W HA -0.256 4.421 4.660 0.028 0.000 0.253 239 W C 0.207 176.701 176.519 -0.040 0.000 1.019 239 W CA 0.144 57.469 57.345 -0.033 0.000 0.447 239 W CB -1.513 27.934 29.460 -0.022 0.000 2.033 239 W HN 0.527 nan 8.180 nan 0.000 1.268 240 D N 0.423 120.880 120.400 0.094 0.000 2.387 240 D HA 0.506 5.163 4.640 0.028 0.000 0.251 240 D C 0.431 176.731 176.300 -0.000 0.000 1.141 240 D CA 0.473 54.504 54.000 0.051 0.000 0.987 240 D CB 1.125 41.949 40.800 0.040 0.000 1.116 240 D HN -0.144 nan 8.370 nan 0.000 0.491 241 T N 1.088 115.633 114.554 -0.015 0.000 2.908 241 T HA 0.497 4.864 4.350 0.028 0.000 0.290 241 T C -0.473 174.196 174.700 -0.051 0.000 1.034 241 T CA -0.611 61.461 62.100 -0.046 0.000 1.010 241 T CB 0.996 69.831 68.868 -0.056 0.000 1.068 241 T HN 0.326 nan 8.240 nan 0.000 0.481 242 I N 2.551 123.087 120.570 -0.057 0.000 2.406 242 I HA 0.446 4.633 4.170 0.028 0.000 0.290 242 I C -1.170 174.765 176.117 -0.304 0.000 0.999 242 I CA -0.853 60.326 61.300 -0.202 0.000 1.124 242 I CB 1.123 38.995 38.000 -0.213 0.000 1.289 242 I HN 0.432 nan 8.210 nan 0.000 0.441 243 N N 7.709 126.182 118.700 -0.378 0.000 2.469 243 N HA 0.392 5.149 4.740 0.028 0.000 0.253 243 N C -1.280 173.980 175.510 -0.417 0.000 0.970 243 N CA -0.113 52.769 53.050 -0.280 0.000 0.940 243 N CB 1.032 39.435 38.487 -0.139 0.000 1.128 243 N HN 0.336 nan 8.380 nan 0.000 0.503 244 F N 0.663 120.596 119.950 -0.029 0.000 2.385 244 F HA 0.389 4.933 4.527 0.028 0.000 0.336 244 F C 0.976 176.794 175.800 0.031 0.000 1.100 244 F CA -0.476 57.502 58.000 -0.036 0.000 1.116 244 F CB 1.363 40.379 39.000 0.027 0.000 1.166 244 F HN 0.270 nan 8.300 nan 0.000 0.511 245 E N 1.502 121.825 120.200 0.205 0.000 2.321 245 E HA 0.513 4.880 4.350 0.028 0.000 0.281 245 E C -1.793 174.861 176.600 0.089 0.000 0.910 245 E CA -0.489 56.015 56.400 0.174 0.000 0.770 245 E CB 1.946 31.758 29.700 0.186 0.000 1.225 245 E HN 0.555 nan 8.360 nan 0.000 0.417 246 S N 1.511 117.192 115.700 -0.031 0.000 2.542 246 S HA 0.253 4.740 4.470 0.028 0.000 0.276 246 S C -0.226 174.211 174.600 -0.272 0.000 1.148 246 S CA -0.072 57.949 58.200 -0.300 0.000 0.886 246 S CB 1.415 64.513 63.200 -0.171 0.000 1.109 246 S HN 0.594 nan 8.310 nan 0.000 0.458 247 T N 0.382 114.572 114.554 -0.607 0.000 3.145 247 T HA 0.611 4.978 4.350 0.028 0.000 0.255 247 T C 0.788 175.133 174.700 -0.592 0.000 1.039 247 T CA 0.236 62.150 62.100 -0.311 0.000 0.928 247 T CB -0.147 68.553 68.868 -0.279 0.000 1.029 247 T HN 1.510 nan 8.240 nan 0.000 0.554 248 G N 0.857 109.222 108.800 -0.725 0.000 2.312 248 G HA2 0.267 4.244 3.960 0.028 0.000 0.347 248 G HA3 0.267 4.244 3.960 0.028 0.000 0.347 248 G C -0.256 174.141 174.900 -0.838 0.000 1.564 248 G CA -0.425 43.992 45.100 -1.137 0.000 0.981 248 G HN 0.049 nan 8.290 nan 0.000 0.678 249 N N -2.268 115.769 118.700 -1.105 0.000 2.984 249 N HA -0.187 4.570 4.740 0.028 0.000 0.227 249 N C 0.450 175.756 175.510 -0.340 0.000 0.903 249 N CA 1.111 53.722 53.050 -0.732 0.000 0.995 249 N CB -0.697 37.437 38.487 -0.589 0.000 1.065 249 N HN 1.169 nan 8.380 nan 0.000 0.585 250 L N 2.188 123.256 121.223 -0.259 0.000 2.331 250 L HA 0.417 4.774 4.340 0.028 0.000 0.278 250 L C 0.007 176.759 176.870 -0.196 0.000 1.106 250 L CA -0.041 54.685 54.840 -0.191 0.000 0.824 250 L CB 0.538 42.490 42.059 -0.178 0.000 1.142 250 L HN -0.007 nan 8.230 nan 0.000 0.443 251 I N 6.253 126.703 120.570 -0.199 0.000 2.361 251 I HA 0.398 4.585 4.170 0.028 0.000 0.282 251 I C 0.562 176.634 176.117 -0.075 0.000 1.075 251 I CA -0.292 60.910 61.300 -0.163 0.000 1.205 251 I CB 0.057 37.937 38.000 -0.199 0.000 1.406 251 I HN 0.812 nan 8.210 nan 0.000 0.481 252 A N 9.083 131.798 122.820 -0.176 0.000 2.287 252 A HA 0.779 5.116 4.320 0.028 0.000 0.273 252 A C -2.414 175.130 177.584 -0.067 0.000 1.091 252 A CA -1.128 50.755 52.037 -0.257 0.000 0.817 252 A CB 0.043 18.791 19.000 -0.421 0.000 1.069 252 A HN 0.364 nan 8.150 nan 0.000 0.492 253 P HA 0.259 nan 4.420 nan 0.000 0.278 253 P C 0.062 177.376 177.300 0.022 0.000 1.238 253 P CA -0.152 62.983 63.100 0.059 0.000 0.794 253 P CB 1.161 32.934 31.700 0.122 0.000 0.955 254 E N 1.238 121.438 120.200 0.000 0.000 2.166 254 E HA 0.001 4.368 4.350 0.028 0.000 0.192 254 E C -0.352 175.964 176.600 -0.473 0.000 0.967 254 E CA 0.471 56.732 56.400 -0.232 0.000 0.840 254 E CB 0.125 29.635 29.700 -0.316 0.000 0.795 254 E HN 0.445 nan 8.360 nan 0.000 0.470 255 Y N -0.960 119.263 120.300 -0.129 0.000 2.509 255 Y HA 0.598 5.165 4.550 0.028 0.000 0.341 255 Y C 0.633 176.301 175.900 -0.387 0.000 1.038 255 Y CA -0.763 57.153 58.100 -0.306 0.000 1.089 255 Y CB 2.035 40.241 38.460 -0.425 0.000 1.241 255 Y HN -0.058 nan 8.280 nan 0.000 0.468 256 G N 0.407 109.008 108.800 -0.331 0.000 2.753 256 G HA2 0.676 4.653 3.960 0.028 0.000 0.285 256 G HA3 0.676 4.653 3.960 0.028 0.000 0.285 256 G C -1.952 172.547 174.900 -0.669 0.000 1.344 256 G CA -0.694 44.220 45.100 -0.310 0.000 1.050 256 G HN 0.384 nan 8.290 nan 0.000 0.532 257 F N 0.117 119.989 119.950 -0.130 0.000 2.745 257 F HA 0.365 4.910 4.527 0.029 0.000 0.343 257 F C 0.259 175.898 175.800 -0.268 0.000 1.196 257 F CA -0.821 56.978 58.000 -0.334 0.000 1.021 257 F CB 2.129 40.881 39.000 -0.414 0.000 1.297 257 F HN 0.111 nan 8.300 nan 0.000 0.486 258 K N 4.386 124.694 120.400 -0.152 0.000 2.416 258 K HA 0.411 4.748 4.320 0.028 0.000 0.283 258 K C -0.556 175.997 176.600 -0.079 0.000 1.037 258 K CA 0.191 56.438 56.287 -0.066 0.000 0.995 258 K CB 1.242 33.727 32.500 -0.025 0.000 0.938 258 K HN 0.635 nan 8.250 nan 0.000 0.475 259 I N 1.267 121.861 120.570 0.038 0.000 2.534 259 I HA 0.190 4.377 4.170 0.028 0.000 0.288 259 I C -1.398 174.767 176.117 0.080 0.000 1.077 259 I CA -0.300 61.059 61.300 0.098 0.000 1.051 259 I CB 1.933 40.046 38.000 0.189 0.000 1.234 259 I HN 0.567 nan 8.210 nan 0.000 0.425 260 S N 8.049 123.790 115.700 0.068 0.000 2.561 260 S HA 0.648 5.135 4.470 0.028 0.000 0.303 260 S C -1.293 173.301 174.600 -0.011 0.000 1.110 260 S CA -0.644 57.582 58.200 0.043 0.000 1.034 260 S CB 0.949 64.193 63.200 0.072 0.000 1.010 260 S HN 0.694 nan 8.310 nan 0.000 0.482 261 K N 1.612 122.000 120.400 -0.021 0.000 2.498 261 K HA 0.879 5.216 4.320 0.028 0.000 0.254 261 K C 0.158 176.735 176.600 -0.039 0.000 0.933 261 K CA -0.616 55.636 56.287 -0.059 0.000 0.806 261 K CB 1.560 34.013 32.500 -0.077 0.000 1.301 261 K HN 0.933 nan 8.250 nan 0.000 0.432 262 R N 1.072 121.540 120.500 -0.053 0.000 1.233 262 R HA -0.001 4.356 4.340 0.028 0.000 0.008 262 R C 0.610 176.847 176.300 -0.104 0.000 0.961 262 R CA 1.008 57.056 56.100 -0.086 0.000 1.979 262 R CB -2.372 27.857 30.300 -0.120 0.000 0.136 262 R HN 1.442 nan 8.270 nan 0.000 0.732 263 G N -1.605 107.120 108.800 -0.125 0.000 2.929 263 G HA2 0.666 4.643 3.960 0.028 0.000 0.123 263 G HA3 0.666 4.643 3.960 0.028 0.000 0.123 263 G C -0.347 174.478 174.900 -0.126 0.000 1.212 263 G CA 1.139 46.154 45.100 -0.143 0.000 1.238 263 G HN 2.096 nan 8.290 nan 0.000 0.617 264 S N -1.191 114.417 115.700 -0.153 0.000 2.596 264 S HA 0.608 5.095 4.470 0.028 0.000 0.305 264 S C -0.494 174.084 174.600 -0.037 0.000 1.086 264 S CA 0.698 58.821 58.200 -0.128 0.000 0.909 264 S CB 1.153 64.302 63.200 -0.085 0.000 1.106 264 S HN 1.305 nan 8.310 nan 0.000 0.450 265 S N 3.335 119.015 115.700 -0.033 0.000 4.225 265 S HA 1.029 5.516 4.470 0.028 0.000 0.215 265 S C 0.464 175.076 174.600 0.019 0.000 1.051 265 S CA 0.140 58.423 58.200 0.138 0.000 1.729 265 S CB 0.936 64.254 63.200 0.197 0.000 0.892 265 S HN 1.887 nan 8.310 nan 0.000 0.720 266 G N 0.005 108.828 108.800 0.038 0.000 2.506 266 G HA2 0.498 4.475 3.960 0.028 0.000 0.292 266 G HA3 0.498 4.475 3.960 0.028 0.000 0.292 266 G C -1.891 173.019 174.900 0.016 0.000 1.425 266 G CA -0.808 44.288 45.100 -0.008 0.000 0.788 266 G HN 0.654 nan 8.290 nan 0.000 0.490 267 I N 0.957 121.512 120.570 -0.025 0.000 2.353 267 I HA 0.394 4.581 4.170 0.028 0.000 0.293 267 I C 0.214 176.319 176.117 -0.019 0.000 0.992 267 I CA -0.429 60.853 61.300 -0.031 0.000 1.268 267 I CB 1.743 39.692 38.000 -0.085 0.000 1.387 267 I HN 0.462 nan 8.210 nan 0.000 0.478 268 M N 7.272 126.883 119.600 0.018 0.000 2.066 268 M HA 0.328 4.825 4.480 0.028 0.000 0.340 268 M C -0.938 175.344 176.300 -0.030 0.000 1.053 268 M CA -0.613 54.682 55.300 -0.008 0.000 0.983 268 M CB 0.430 33.047 32.600 0.029 0.000 1.520 268 M HN 0.254 nan 8.290 nan 0.000 0.428 269 K N 3.623 123.996 120.400 -0.044 0.000 2.349 269 K HA 0.358 4.695 4.320 0.028 0.000 0.289 269 K C -0.370 176.203 176.600 -0.045 0.000 1.064 269 K CA 0.012 56.275 56.287 -0.041 0.000 0.947 269 K CB 0.693 33.179 32.500 -0.023 0.000 1.007 269 K HN 0.796 nan 8.250 nan 0.000 0.478 270 T N 0.749 115.277 114.554 -0.044 0.000 2.830 270 T HA 0.196 4.563 4.350 0.028 0.000 0.322 270 T C -0.069 174.608 174.700 -0.038 0.000 1.501 270 T CA -0.522 61.554 62.100 -0.040 0.000 1.036 270 T CB 0.977 69.820 68.868 -0.042 0.000 1.379 270 T HN 0.441 nan 8.240 nan 0.000 0.493 271 E N 1.152 121.334 120.200 -0.029 0.000 2.340 271 E HA 0.191 4.558 4.350 0.028 0.000 0.194 271 E C 1.241 177.821 176.600 -0.033 0.000 0.996 271 E CA 0.316 56.699 56.400 -0.028 0.000 0.869 271 E CB -0.041 29.649 29.700 -0.016 0.000 0.835 271 E HN 0.737 nan 8.360 nan 0.000 0.493 272 G N 1.018 109.800 108.800 -0.030 0.000 2.588 272 G HA2 0.277 4.254 3.960 0.028 0.000 0.278 272 G HA3 0.277 4.254 3.960 0.028 0.000 0.278 272 G C 0.003 174.877 174.900 -0.043 0.000 1.307 272 G CA 0.165 45.248 45.100 -0.028 0.000 1.016 272 G HN 0.134 nan 8.290 nan 0.000 0.503 273 T N -2.232 112.298 114.554 -0.041 0.000 2.907 273 T HA 0.520 4.887 4.350 0.028 0.000 0.292 273 T C -0.165 174.505 174.700 -0.050 0.000 1.043 273 T CA -0.815 61.251 62.100 -0.057 0.000 1.003 273 T CB 1.607 70.442 68.868 -0.055 0.000 1.084 273 T HN 0.509 nan 8.240 nan 0.000 0.483 274 L N 1.628 122.810 121.223 -0.070 0.000 2.499 274 L HA 0.310 4.667 4.340 0.028 0.000 0.281 274 L C 0.980 177.828 176.870 -0.037 0.000 1.234 274 L CA 0.991 55.796 54.840 -0.058 0.000 0.839 274 L CB -0.111 41.893 42.059 -0.091 0.000 1.104 274 L HN 0.979 nan 8.230 nan 0.000 0.500 275 E N 1.757 121.944 120.200 -0.021 0.000 2.712 275 E HA 0.031 4.398 4.350 0.028 0.000 0.221 275 E C -0.331 176.263 176.600 -0.011 0.000 0.943 275 E CA 0.150 56.540 56.400 -0.016 0.000 1.259 275 E CB 0.288 29.981 29.700 -0.012 0.000 1.167 275 E HN 0.782 nan 8.360 nan 0.000 0.569 276 N N 1.214 119.910 118.700 -0.008 0.000 2.814 276 N HA -0.145 4.612 4.740 0.028 0.000 0.247 276 N C -0.840 174.670 175.510 0.000 0.000 1.089 276 N CA 0.837 53.884 53.050 -0.004 0.000 0.682 276 N CB -2.021 36.461 38.487 -0.007 0.000 0.970 276 N HN 0.378 nan 8.380 nan 0.000 0.554 277 c N -1.799 116.805 118.600 0.006 0.000 3.119 277 c HA 0.933 5.520 4.570 0.028 0.000 0.359 277 c C 0.424 174.522 174.090 0.014 0.000 1.486 277 c CA -0.939 55.394 56.329 0.006 0.000 1.556 277 c CB 1.488 43.999 42.510 0.002 0.000 2.063 277 c HN 0.569 nan 8.230 nan 0.000 0.454 278 E N -0.487 119.719 120.200 0.011 0.000 2.281 278 E HA 0.779 5.146 4.350 0.028 0.000 0.262 278 E C -0.681 175.924 176.600 0.009 0.000 0.933 278 E CA 0.069 56.478 56.400 0.015 0.000 0.809 278 E CB 2.007 31.713 29.700 0.011 0.000 1.242 278 E HN 1.088 nan 8.360 nan 0.000 0.418 279 T N 0.961 115.521 114.554 0.010 0.000 2.843 279 T HA 0.297 4.664 4.350 0.028 0.000 0.337 279 T C -0.844 173.851 174.700 -0.008 0.000 1.754 279 T CA -0.526 61.568 62.100 -0.010 0.000 1.052 279 T CB 0.664 69.515 68.868 -0.028 0.000 1.588 279 T HN 0.471 nan 8.240 nan 0.000 0.493 280 K N 0.532 120.914 120.400 -0.030 0.000 2.358 280 K HA 0.415 4.752 4.320 0.028 0.000 0.200 280 K C -0.231 176.317 176.600 -0.088 0.000 1.030 280 K CA -0.025 56.247 56.287 -0.026 0.000 1.097 280 K CB 0.688 33.178 32.500 -0.017 0.000 0.862 280 K HN 0.444 nan 8.250 nan 0.000 0.534 281 c N 1.531 120.055 118.600 -0.126 0.000 2.789 281 c HA 0.331 4.918 4.570 0.028 0.000 0.367 281 c C -1.681 172.282 174.090 -0.211 0.000 1.062 281 c CA -0.626 55.584 56.329 -0.200 0.000 1.297 281 c CB 0.472 42.859 42.510 -0.205 0.000 1.794 281 c HN 0.322 nan 8.230 nan 0.000 0.474 282 Q N 3.417 123.049 119.800 -0.279 0.000 2.322 282 Q HA 0.710 5.067 4.340 0.028 0.000 0.265 282 Q C 0.191 176.011 176.000 -0.300 0.000 0.985 282 Q CA 0.130 55.762 55.803 -0.285 0.000 0.849 282 Q CB 1.695 30.188 28.738 -0.409 0.000 1.274 282 Q HN 0.885 nan 8.270 nan 0.000 0.449 283 T N 0.568 114.981 114.554 -0.236 0.000 2.949 283 T HA 0.608 4.975 4.350 0.028 0.000 0.287 283 T C -2.040 172.493 174.700 -0.278 0.000 1.034 283 T CA -2.179 59.757 62.100 -0.274 0.000 1.018 283 T CB 1.302 70.031 68.868 -0.231 0.000 1.135 283 T HN 0.461 nan 8.240 nan 0.000 0.532 284 P HA 0.207 nan 4.420 nan 0.000 0.233 284 P C 1.234 178.413 177.300 -0.201 0.000 1.167 284 P CA 0.434 63.339 63.100 -0.325 0.000 0.770 284 P CB 0.041 31.449 31.700 -0.487 0.000 0.837 285 L N -2.660 118.441 121.223 -0.203 0.000 2.513 285 L HA 0.365 4.722 4.340 0.028 0.000 0.222 285 L C 1.172 178.153 176.870 0.186 0.000 1.096 285 L CA 0.422 55.238 54.840 -0.040 0.000 0.857 285 L CB -0.231 41.699 42.059 -0.215 0.000 1.026 285 L HN 0.088 nan 8.230 nan 0.000 0.469 286 G N -0.561 108.294 108.800 0.092 0.000 2.341 286 G HA2 0.412 4.389 3.960 0.028 0.000 0.293 286 G HA3 0.412 4.389 3.960 0.028 0.000 0.293 286 G C -1.946 172.982 174.900 0.046 0.000 1.298 286 G CA -0.166 45.034 45.100 0.167 0.000 0.868 286 G HN 0.022 nan 8.290 nan 0.000 0.540 287 A N -0.354 122.490 122.820 0.039 0.000 2.305 287 A HA 0.806 5.143 4.320 0.028 0.000 0.322 287 A C 0.035 177.611 177.584 -0.012 0.000 1.187 287 A CA -0.532 51.493 52.037 -0.021 0.000 0.825 287 A CB 0.460 19.446 19.000 -0.023 0.000 1.164 287 A HN 0.770 nan 8.150 nan 0.000 0.498 288 I N 2.167 122.693 120.570 -0.073 0.000 2.396 288 I HA 0.234 4.421 4.170 0.028 0.000 0.292 288 I C -0.075 175.999 176.117 -0.072 0.000 0.999 288 I CA -0.442 60.809 61.300 -0.081 0.000 1.310 288 I CB 1.454 39.341 38.000 -0.190 0.000 1.404 288 I HN 0.683 nan 8.210 nan 0.000 0.496 289 N N 4.191 122.864 118.700 -0.045 0.000 2.648 289 N HA 0.325 5.082 4.740 0.028 0.000 0.261 289 N C -1.234 174.257 175.510 -0.033 0.000 1.138 289 N CA -0.152 52.874 53.050 -0.039 0.000 0.804 289 N CB 1.310 39.783 38.487 -0.023 0.000 1.237 289 N HN 0.685 nan 8.380 nan 0.000 0.532 290 T N 0.040 114.566 114.554 -0.046 0.000 2.889 290 T HA 0.380 4.747 4.350 0.028 0.000 0.315 290 T C 0.636 175.309 174.700 -0.045 0.000 1.291 290 T CA -0.307 61.772 62.100 -0.035 0.000 1.028 290 T CB 0.786 69.638 68.868 -0.027 0.000 1.235 290 T HN 0.365 nan 8.240 nan 0.000 0.491 291 T N 1.428 115.962 114.554 -0.035 0.000 3.060 291 T HA 0.377 4.744 4.350 0.028 0.000 0.249 291 T C 1.051 175.717 174.700 -0.057 0.000 1.079 291 T CA -0.184 61.890 62.100 -0.044 0.000 1.013 291 T CB -0.272 68.579 68.868 -0.029 0.000 0.975 291 T HN 0.456 nan 8.240 nan 0.000 0.518 292 L N 1.929 123.126 121.223 -0.043 0.000 2.483 292 L HA 0.193 4.550 4.340 0.028 0.000 0.276 292 L C -1.292 175.503 176.870 -0.124 0.000 1.213 292 L CA -1.648 53.167 54.840 -0.041 0.000 0.843 292 L CB 0.577 42.647 42.059 0.018 0.000 1.107 292 L HN -0.019 nan 8.230 nan 0.000 0.487 293 P HA -0.003 nan 4.420 nan 0.000 0.222 293 P C -0.582 176.184 177.300 -0.889 0.000 1.153 293 P CA 1.136 63.870 63.100 -0.611 0.000 0.798 293 P CB 0.292 31.540 31.700 -0.753 0.000 0.796 294 F N -1.871 118.045 119.950 -0.056 0.000 2.603 294 F HA 0.572 5.096 4.527 -0.005 0.000 0.317 294 F C 0.553 176.380 175.800 0.046 0.000 1.066 294 F CA -0.977 56.990 58.000 -0.055 0.000 0.941 294 F CB 1.372 40.322 39.000 -0.082 0.000 1.291 294 F HN -0.130 nan 8.300 nan 0.000 0.472 295 H N -1.152 117.989 119.070 0.118 0.000 2.990 295 H HA 0.562 5.134 4.556 0.027 0.000 0.336 295 H C -1.330 174.020 175.328 0.036 0.000 1.306 295 H CA -1.103 54.989 56.048 0.072 0.000 1.118 295 H CB 1.513 31.314 29.762 0.065 0.000 1.856 295 H HN 0.411 nan 8.280 nan 0.000 0.538 296 N N 0.893 119.538 118.700 -0.093 0.000 2.307 296 N HA 0.074 4.831 4.740 0.028 0.000 0.248 296 N C -0.038 175.586 175.510 0.190 0.000 1.322 296 N CA 0.071 53.016 53.050 -0.175 0.000 0.861 296 N CB 0.065 38.447 38.487 -0.176 0.000 1.303 296 N HN 0.351 nan 8.380 nan 0.000 0.498 297 V N -0.088 120.090 119.914 0.439 0.000 2.295 297 V HA -0.097 4.040 4.120 0.028 0.000 0.246 297 V C 0.540 176.792 176.094 0.263 0.000 1.049 297 V CA 1.794 64.273 62.300 0.298 0.000 1.024 297 V CB -0.763 31.210 31.823 0.249 0.000 0.648 297 V HN 0.704 nan 8.190 nan 0.000 0.447 298 H N -1.709 117.492 119.070 0.218 0.000 3.041 298 H HA 0.123 4.695 4.556 0.028 0.000 0.293 298 H C -2.585 172.528 175.328 -0.358 0.000 1.166 298 H CA -0.634 55.386 56.048 -0.046 0.000 1.529 298 H CB 1.870 31.577 29.762 -0.091 0.000 2.050 298 H HN -0.113 nan 8.280 nan 0.000 0.505 299 P HA 0.032 nan 4.420 nan 0.000 0.222 299 P C 0.586 177.749 177.300 -0.229 0.000 1.153 299 P CA 0.443 62.978 63.100 -0.942 0.000 0.798 299 P CB 0.975 32.176 31.700 -0.832 0.000 0.796 300 L N 1.806 123.104 121.223 0.125 0.000 2.387 300 L HA 0.180 4.537 4.340 0.028 0.000 0.267 300 L C 0.836 177.634 176.870 -0.119 0.000 1.197 300 L CA -0.272 54.569 54.840 0.002 0.000 1.070 300 L CB -0.451 41.635 42.059 0.045 0.000 1.349 300 L HN 0.044 nan 8.230 nan 0.000 0.422 301 T N -0.702 113.773 114.554 -0.131 0.000 2.948 301 T HA 0.784 5.151 4.350 0.028 0.000 0.285 301 T C -0.211 174.328 174.700 -0.268 0.000 1.019 301 T CA -0.739 61.240 62.100 -0.202 0.000 1.013 301 T CB 2.467 71.236 68.868 -0.166 0.000 1.117 301 T HN 0.189 nan 8.240 nan 0.000 0.533 302 I N 0.637 120.986 120.570 -0.369 0.000 2.571 302 I HA 0.633 4.820 4.170 0.028 0.000 0.289 302 I C 0.542 176.299 176.117 -0.599 0.000 1.115 302 I CA -0.521 60.484 61.300 -0.492 0.000 1.045 302 I CB 1.569 39.273 38.000 -0.495 0.000 1.238 302 I HN 1.257 nan 8.210 nan 0.000 0.424 303 G N 5.042 113.259 108.800 -0.971 0.000 2.306 303 G HA2 -0.082 3.895 3.960 0.028 0.000 0.262 303 G HA3 -0.082 3.895 3.960 0.028 0.000 0.262 303 G C -1.187 173.364 174.900 -0.583 0.000 1.263 303 G CA -0.860 43.727 45.100 -0.854 0.000 1.088 303 G HN 0.586 nan 8.290 nan 0.000 0.489 304 E N 0.082 120.139 120.200 -0.239 0.000 1.963 304 E HA 0.521 4.888 4.350 0.028 0.000 0.274 304 E C -0.134 176.368 176.600 -0.165 0.000 1.061 304 E CA -0.215 56.101 56.400 -0.139 0.000 0.847 304 E CB 0.659 30.339 29.700 -0.032 0.000 1.083 304 E HN 0.649 nan 8.360 nan 0.000 0.402 305 c N 3.821 122.309 118.600 -0.187 0.000 2.486 305 c HA 0.580 5.167 4.570 0.028 0.000 0.348 305 c C -1.993 172.009 174.090 -0.147 0.000 1.203 305 c CA -1.727 54.490 56.329 -0.186 0.000 1.911 305 c CB 0.959 43.353 42.510 -0.194 0.000 2.340 305 c HN 0.590 nan 8.230 nan 0.000 0.511 306 P HA 0.265 nan 4.420 nan 0.000 0.274 306 P C -1.107 176.176 177.300 -0.027 0.000 1.256 306 P CA -0.461 62.579 63.100 -0.100 0.000 0.795 306 P CB 0.393 32.087 31.700 -0.009 0.000 1.038 307 K N 0.627 120.863 120.400 -0.274 0.000 2.412 307 K HA 0.099 4.436 4.320 0.028 0.000 0.284 307 K C -0.547 176.033 176.600 -0.034 0.000 1.046 307 K CA 0.119 56.215 56.287 -0.319 0.000 0.999 307 K CB -0.959 31.038 32.500 -0.838 0.000 0.941 307 K HN 0.354 nan 8.250 nan 0.000 0.474 308 Y N 3.293 123.506 120.300 -0.145 0.000 2.377 308 Y HA 0.357 4.926 4.550 0.032 0.000 0.330 308 Y C -0.367 175.479 175.900 -0.090 0.000 1.108 308 Y CA -0.035 57.888 58.100 -0.295 0.000 1.308 308 Y CB 0.579 38.914 38.460 -0.208 0.000 1.216 308 Y HN 0.308 nan 8.280 nan 0.000 0.518 309 V N 7.010 126.489 119.914 -0.725 0.000 3.007 309 V HA 0.322 4.459 4.120 0.028 0.000 0.311 309 V C -0.801 174.935 176.094 -0.595 0.000 1.120 309 V CA -1.316 60.724 62.300 -0.433 0.000 0.980 309 V CB 2.402 34.101 31.823 -0.207 0.000 1.033 309 V HN 0.728 nan 8.190 nan 0.000 0.429 310 K N 2.853 123.053 120.400 -0.334 0.000 2.758 310 K HA 0.474 4.811 4.320 0.028 0.000 0.250 310 K C -0.466 176.031 176.600 -0.171 0.000 1.268 310 K CA 0.018 56.156 56.287 -0.248 0.000 1.228 310 K CB 0.393 32.819 32.500 -0.124 0.000 1.715 310 K HN 0.596 nan 8.250 nan 0.000 0.334 311 S N -0.062 115.524 115.700 -0.190 0.000 2.632 311 S HA 0.273 4.760 4.470 0.028 0.000 0.289 311 S C 0.376 174.915 174.600 -0.101 0.000 1.115 311 S CA -0.802 57.319 58.200 -0.132 0.000 0.889 311 S CB 1.930 65.041 63.200 -0.148 0.000 1.116 311 S HN 0.396 nan 8.310 nan 0.000 0.486 312 E N 0.371 120.529 120.200 -0.069 0.000 2.330 312 E HA 0.123 4.490 4.350 0.028 0.000 0.200 312 E C -0.127 176.455 176.600 -0.030 0.000 0.922 312 E CA 0.238 56.613 56.400 -0.041 0.000 0.935 312 E CB 0.467 30.149 29.700 -0.030 0.000 0.917 312 E HN 0.555 nan 8.360 nan 0.000 0.491 313 K N 0.396 120.772 120.400 -0.040 0.000 2.502 313 K HA 0.514 4.851 4.320 0.028 0.000 0.257 313 K C -1.292 175.280 176.600 -0.048 0.000 0.938 313 K CA -0.641 55.629 56.287 -0.029 0.000 0.819 313 K CB 1.636 34.124 32.500 -0.019 0.000 1.333 313 K HN -0.112 nan 8.250 nan 0.000 0.434 314 L N 2.965 124.168 121.223 -0.035 0.000 2.514 314 L HA 0.323 4.680 4.340 0.028 0.000 0.257 314 L C -1.426 175.436 176.870 -0.012 0.000 1.101 314 L CA -0.916 53.894 54.840 -0.050 0.000 0.911 314 L CB 1.924 43.938 42.059 -0.076 0.000 1.162 314 L HN 0.468 nan 8.230 nan 0.000 0.477 315 V N 3.241 123.147 119.914 -0.013 0.000 2.347 315 V HA 0.346 4.483 4.120 0.028 0.000 0.280 315 V C 0.063 176.162 176.094 0.009 0.000 1.021 315 V CA -0.616 61.688 62.300 0.007 0.000 0.847 315 V CB 2.036 33.863 31.823 0.007 0.000 0.990 315 V HN 0.326 nan 8.190 nan 0.000 0.444 316 L N 4.700 125.938 121.223 0.025 0.000 2.319 316 L HA 0.534 4.891 4.340 0.028 0.000 0.280 316 L C 0.853 177.747 176.870 0.039 0.000 1.099 316 L CA 0.393 55.250 54.840 0.028 0.000 0.828 316 L CB 0.935 43.017 42.059 0.037 0.000 1.150 316 L HN 0.797 nan 8.230 nan 0.000 0.442 317 A N 2.661 125.500 122.820 0.032 0.000 2.425 317 A HA 0.494 4.831 4.320 0.028 0.000 0.249 317 A C 0.925 178.557 177.584 0.081 0.000 1.084 317 A CA 0.492 52.557 52.037 0.045 0.000 0.781 317 A CB 0.139 19.154 19.000 0.024 0.000 1.019 317 A HN 0.922 nan 8.150 nan 0.000 0.490 318 T N -0.201 114.430 114.554 0.128 0.000 3.250 318 T HA 0.380 4.747 4.350 0.028 0.000 0.265 318 T C 1.097 175.952 174.700 0.260 0.000 0.973 318 T CA 0.702 62.917 62.100 0.192 0.000 1.040 318 T CB -0.660 68.338 68.868 0.216 0.000 1.167 318 T HN 1.103 nan 8.240 nan 0.000 0.471 319 G N 2.295 111.242 108.800 0.245 0.000 2.508 319 G HA2 0.643 4.620 3.960 0.028 0.000 0.278 319 G HA3 0.643 4.620 3.960 0.028 0.000 0.278 319 G C -0.099 174.443 174.900 -0.596 0.000 1.389 319 G CA -0.822 44.260 45.100 -0.029 0.000 1.050 319 G HN 0.760 nan 8.290 nan 0.000 0.522 320 L N -2.347 118.235 121.223 -1.068 0.000 2.416 320 L HA 0.675 5.032 4.340 0.028 0.000 0.263 320 L C 0.821 177.423 176.870 -0.447 0.000 1.065 320 L CA -1.265 53.006 54.840 -0.948 0.000 0.798 320 L CB 0.832 42.236 42.059 -1.091 0.000 1.267 320 L HN 0.439 nan 8.230 nan 0.000 0.467 321 R N 1.613 121.914 120.500 -0.332 0.000 2.502 321 R HA -0.013 4.344 4.340 0.028 0.000 0.292 321 R C -0.350 175.820 176.300 -0.216 0.000 0.998 321 R CA -0.094 55.869 56.100 -0.230 0.000 1.056 321 R CB 0.109 30.290 30.300 -0.198 0.000 0.939 321 R HN 0.692 nan 8.270 nan 0.000 0.411 322 N N 4.030 122.621 118.700 -0.182 0.000 2.401 322 N HA 0.076 4.833 4.740 0.028 0.000 0.255 322 N C -1.315 174.138 175.510 -0.095 0.000 1.110 322 N CA -0.091 52.862 53.050 -0.163 0.000 0.949 322 N CB 1.109 39.492 38.487 -0.173 0.000 1.110 322 N HN 0.330 nan 8.380 nan 0.000 0.490 323 V N 6.347 126.234 119.914 -0.045 0.000 2.266 323 V HA 0.310 4.447 4.120 0.028 0.000 0.266 323 V C -1.904 174.176 176.094 -0.023 0.000 1.036 323 V CA -1.408 60.887 62.300 -0.009 0.000 0.828 323 V CB 0.789 32.653 31.823 0.069 0.000 1.081 323 V HN 0.542 nan 8.190 nan 0.000 0.449 331 L N -0.401 120.747 121.223 -0.124 0.000 2.127 331 L HA 0.238 4.595 4.340 0.028 0.000 0.211 331 L C 2.145 178.669 176.870 -0.577 0.000 1.089 331 L CA 1.872 56.473 54.840 -0.399 0.000 0.757 331 L CB -0.674 41.015 42.059 -0.616 0.000 0.899 331 L HN 0.449 nan 8.230 nan 0.000 0.434 332 F N -1.578 118.342 119.950 -0.050 0.000 2.706 332 F HA 0.385 4.926 4.527 0.023 0.000 0.308 332 F C 1.756 177.537 175.800 -0.031 0.000 1.095 332 F CA 0.331 58.310 58.000 -0.034 0.000 1.244 332 F CB -0.222 38.749 39.000 -0.048 0.000 1.063 332 F HN 0.047 nan 8.300 nan 0.000 0.582 333 G N 0.823 109.653 108.800 0.051 0.000 2.198 333 G HA2 -0.257 3.720 3.960 0.028 0.000 0.260 333 G HA3 -0.257 3.720 3.960 0.028 0.000 0.260 333 G C 0.937 175.776 174.900 -0.102 0.000 1.025 333 G CA 0.471 45.572 45.100 0.002 0.000 0.769 333 G HN 0.576 nan 8.290 nan 0.000 0.507 334 A N -0.572 122.104 122.820 -0.240 0.000 1.941 334 A HA 0.653 4.990 4.320 0.028 0.000 0.214 334 A C 1.265 178.535 177.584 -0.525 0.000 1.368 334 A CA 0.766 52.427 52.037 -0.628 0.000 0.651 334 A CB 0.093 18.808 19.000 -0.476 0.000 1.064 334 A HN 0.715 nan 8.150 nan 0.000 0.492 335 I N 0.246 120.543 120.570 -0.455 0.000 2.618 335 I HA 0.252 4.439 4.170 0.028 0.000 0.284 335 I C 1.376 177.314 176.117 -0.298 0.000 1.146 335 I CA 0.487 61.439 61.300 -0.580 0.000 1.425 335 I CB 0.731 38.245 38.000 -0.811 0.000 1.383 335 I HN 0.597 nan 8.210 nan 0.000 0.562 336 A N 4.398 127.132 122.820 -0.143 0.000 2.774 336 A HA -0.200 4.137 4.320 0.028 0.000 0.290 336 A C 1.023 178.555 177.584 -0.087 0.000 1.484 336 A CA 1.287 53.281 52.037 -0.071 0.000 0.863 336 A CB -2.059 16.891 19.000 -0.082 0.000 0.989 336 A HN 1.067 nan 8.150 nan 0.000 0.554 337 G N -1.221 107.499 108.800 -0.134 0.000 3.110 337 G HA2 0.461 4.438 3.960 0.028 0.000 0.207 337 G HA3 0.461 4.438 3.960 0.028 0.000 0.207 337 G C 0.703 175.564 174.900 -0.066 0.000 1.841 337 G CA 0.299 45.334 45.100 -0.109 0.000 0.751 337 G HN 1.111 nan 8.290 nan 0.000 0.771 338 F N 0.565 120.469 119.950 -0.078 0.000 2.558 338 F HA 0.467 5.012 4.527 0.029 0.000 0.298 338 F C 0.692 176.435 175.800 -0.095 0.000 1.119 338 F CA -0.541 57.400 58.000 -0.100 0.000 1.451 338 F CB -0.153 38.757 39.000 -0.151 0.000 1.091 338 F HN -0.120 nan 8.300 nan 0.000 0.563 339 I N 2.058 122.362 120.570 -0.443 0.000 2.310 339 I HA 0.131 4.318 4.170 0.028 0.000 0.287 339 I C 0.859 176.931 176.117 -0.074 0.000 1.073 339 I CA -0.222 60.947 61.300 -0.217 0.000 1.216 339 I CB 0.889 38.704 38.000 -0.309 0.000 1.415 339 I HN 0.182 nan 8.210 nan 0.000 0.480 340 E N 3.882 124.070 120.200 -0.020 0.000 2.118 340 E HA -0.105 4.262 4.350 0.028 0.000 0.195 340 E C 1.057 177.659 176.600 0.002 0.000 0.992 340 E CA 0.802 57.201 56.400 -0.002 0.000 0.804 340 E CB 0.273 29.981 29.700 0.013 0.000 0.741 340 E HN 0.814 nan 8.360 nan 0.000 0.458 341 G N -0.974 107.799 108.800 -0.046 0.000 2.727 341 G HA2 0.534 4.511 3.960 0.028 0.000 0.289 341 G HA3 0.534 4.511 3.960 0.028 0.000 0.289 341 G C -0.862 173.781 174.900 -0.429 0.000 1.418 341 G CA -0.301 44.747 45.100 -0.088 0.000 0.818 341 G HN 0.166 nan 8.290 nan 0.000 0.486 342 G N -1.535 107.042 108.800 -0.371 0.000 2.461 342 G HA2 0.534 4.511 3.960 0.028 0.000 0.329 342 G HA3 0.534 4.511 3.960 0.028 0.000 0.329 342 G C -1.155 173.601 174.900 -0.240 0.000 1.170 342 G CA -0.606 44.097 45.100 -0.661 0.000 0.935 342 G HN 0.398 nan 8.290 nan 0.000 0.492 343 W N 0.861 121.996 121.300 -0.275 0.000 2.329 343 W HA 0.368 5.047 4.660 0.031 0.000 0.312 343 W C 0.976 177.387 176.519 -0.181 0.000 1.054 343 W CA -1.018 56.195 57.345 -0.219 0.000 1.245 343 W CB 0.853 30.152 29.460 -0.267 0.000 1.255 343 W HN 0.648 nan 8.180 nan 0.000 0.436 344 Q N 1.801 121.640 119.800 0.064 0.000 2.291 344 Q HA -0.072 4.285 4.340 0.028 0.000 0.205 344 Q C 2.094 178.072 176.000 -0.036 0.000 0.970 344 Q CA 1.381 57.206 55.803 0.037 0.000 0.876 344 Q CB -0.035 28.719 28.738 0.026 0.000 0.935 344 Q HN 0.776 nan 8.270 nan 0.000 0.455 345 G N 1.209 109.869 108.800 -0.233 0.000 2.432 345 G HA2 -0.171 3.806 3.960 0.028 0.000 0.219 345 G HA3 -0.171 3.806 3.960 0.028 0.000 0.219 345 G C 0.739 175.313 174.900 -0.544 0.000 1.135 345 G CA 0.004 44.792 45.100 -0.521 0.000 0.767 345 G HN 0.229 nan 8.290 nan 0.000 0.550 346 M N 0.790 120.139 119.600 -0.419 0.000 2.162 346 M HA 0.473 4.970 4.480 0.028 0.000 0.356 346 M C 0.357 176.629 176.300 -0.048 0.000 1.303 346 M CA 0.015 55.251 55.300 -0.106 0.000 1.116 346 M CB 0.796 33.468 32.600 0.121 0.000 1.632 346 M HN 0.080 nan 8.290 nan 0.000 0.469 347 I N 1.754 122.280 120.570 -0.074 0.000 4.624 347 I HA 0.080 4.267 4.170 0.028 0.000 0.327 347 I C 0.836 176.843 176.117 -0.184 0.000 1.295 347 I CA -0.196 61.015 61.300 -0.148 0.000 1.267 347 I CB 0.129 38.087 38.000 -0.070 0.000 1.249 347 I HN 0.556 nan 8.210 nan 0.000 0.440 348 D N 2.097 122.433 120.400 -0.108 0.000 2.144 348 D HA 0.038 4.695 4.640 0.028 0.000 0.199 348 D C 1.185 177.367 176.300 -0.196 0.000 0.984 348 D CA 1.366 55.300 54.000 -0.111 0.000 0.834 348 D CB -0.080 40.704 40.800 -0.028 0.000 0.955 348 D HN 0.428 nan 8.370 nan 0.000 0.465 349 G N -1.897 106.778 108.800 -0.208 0.000 2.570 349 G HA2 0.205 4.182 3.960 0.028 0.000 0.310 349 G HA3 0.205 4.182 3.960 0.028 0.000 0.310 349 G C -0.763 174.016 174.900 -0.201 0.000 1.266 349 G CA -0.588 44.338 45.100 -0.290 0.000 0.825 349 G HN -0.082 nan 8.290 nan 0.000 0.483 350 W N -0.214 120.885 121.300 -0.335 0.000 2.494 350 W HA 0.299 4.977 4.660 0.029 0.000 0.286 350 W C 0.248 176.445 176.519 -0.538 0.000 1.218 350 W CA 0.617 57.651 57.345 -0.518 0.000 1.313 350 W CB -0.405 28.497 29.460 -0.929 0.000 1.105 350 W HN 0.365 nan 8.180 nan 0.000 0.561 351 Y N -1.186 119.270 120.300 0.260 0.000 2.609 351 Y HA 0.760 5.325 4.550 0.026 0.000 0.342 351 Y C 0.666 176.577 175.900 0.019 0.000 1.058 351 Y CA -0.865 57.294 58.100 0.100 0.000 1.055 351 Y CB 1.324 39.814 38.460 0.049 0.000 1.292 351 Y HN -0.127 nan 8.280 nan 0.000 0.476 352 G N -0.261 108.588 108.800 0.082 0.000 2.325 352 G HA2 0.410 4.387 3.960 0.028 0.000 0.295 352 G HA3 0.410 4.387 3.960 0.028 0.000 0.295 352 G C -2.376 172.520 174.900 -0.006 0.000 1.274 352 G CA -0.995 44.059 45.100 -0.077 0.000 0.857 352 G HN 0.460 nan 8.290 nan 0.000 0.499 353 Y N -1.748 118.855 120.300 0.505 0.000 2.675 353 Y HA 0.771 5.339 4.550 0.030 0.000 0.328 353 Y C 1.088 177.301 175.900 0.520 0.000 1.092 353 Y CA -0.444 57.986 58.100 0.549 0.000 1.190 353 Y CB 1.838 40.522 38.460 0.372 0.000 1.350 353 Y HN 0.806 nan 8.280 nan 0.000 0.525 354 H N -0.780 118.526 119.070 0.394 0.000 2.329 354 H HA 0.147 4.720 4.556 0.028 0.000 0.285 354 H C -0.733 174.544 175.328 -0.085 0.000 1.062 354 H CA 1.292 57.297 56.048 -0.073 0.000 1.511 354 H CB 0.371 29.867 29.762 -0.444 0.000 1.471 354 H HN 0.698 nan 8.280 nan 0.000 0.613 355 H N -0.217 118.905 119.070 0.087 0.000 4.103 355 H HA -0.149 4.423 4.556 0.028 0.000 0.284 355 H C -1.532 173.743 175.328 -0.088 0.000 0.687 355 H CA 0.573 56.635 56.048 0.024 0.000 0.806 355 H CB -1.561 28.196 29.762 -0.009 0.000 1.259 355 H HN 0.365 nan 8.280 nan 0.000 0.315 356 S N 3.932 119.661 115.700 0.049 0.000 2.474 356 S HA 0.434 4.921 4.470 0.028 0.000 0.321 356 S C -0.318 174.320 174.600 0.064 0.000 1.080 356 S CA -0.610 57.578 58.200 -0.021 0.000 1.106 356 S CB 1.079 64.300 63.200 0.036 0.000 0.984 356 S HN 0.672 nan 8.310 nan 0.000 0.464 357 N N 1.649 120.379 118.700 0.050 0.000 2.653 357 N HA 0.391 5.148 4.740 0.028 0.000 0.294 357 N C -0.363 175.158 175.510 0.019 0.000 1.305 357 N CA -0.729 52.358 53.050 0.062 0.000 0.827 357 N CB 1.525 40.077 38.487 0.109 0.000 1.415 357 N HN 0.644 nan 8.380 nan 0.000 0.546 358 D N -0.953 119.453 120.400 0.011 0.000 2.328 358 D HA 0.045 4.702 4.640 0.028 0.000 0.221 358 D C 0.357 176.656 176.300 -0.000 0.000 1.072 358 D CA 0.732 54.734 54.000 0.003 0.000 0.850 358 D CB 0.014 40.817 40.800 0.004 0.000 0.922 358 D HN 0.464 nan 8.370 nan 0.000 0.516 359 Q N -0.004 119.799 119.800 0.004 0.000 2.247 359 Q HA 0.420 4.777 4.340 0.028 0.000 0.211 359 Q C 0.386 176.388 176.000 0.004 0.000 0.861 359 Q CA 0.156 55.960 55.803 0.002 0.000 0.949 359 Q CB 1.386 30.123 28.738 -0.001 0.000 1.115 359 Q HN 0.312 nan 8.270 nan 0.000 0.507 360 G N 0.133 108.932 108.800 -0.002 0.000 2.326 360 G HA2 -0.026 3.951 3.960 0.028 0.000 0.413 360 G HA3 -0.026 3.951 3.960 0.028 0.000 0.413 360 G C -0.956 173.884 174.900 -0.100 0.000 1.444 360 G CA -0.890 44.188 45.100 -0.038 0.000 1.002 360 G HN -0.021 nan 8.290 nan 0.000 0.649 361 S N -1.242 114.334 115.700 -0.206 0.000 2.707 361 S HA 0.959 5.446 4.470 0.028 0.000 0.276 361 S C 0.682 174.919 174.600 -0.605 0.000 1.179 361 S CA 0.401 58.325 58.200 -0.459 0.000 0.992 361 S CB 1.450 64.434 63.200 -0.359 0.000 1.030 361 S HN 2.055 nan 8.310 nan 0.000 0.554 362 G N -0.446 107.724 108.800 -1.049 0.000 2.466 362 G HA2 0.542 4.519 3.960 0.028 0.000 0.291 362 G HA3 0.542 4.519 3.960 0.028 0.000 0.291 362 G C -2.379 171.967 174.900 -0.922 0.000 1.460 362 G CA -0.649 43.998 45.100 -0.755 0.000 0.791 362 G HN 0.523 nan 8.290 nan 0.000 0.505 363 Y N -0.592 119.592 120.300 -0.193 0.000 2.562 363 Y HA 0.731 5.299 4.550 0.029 0.000 0.343 363 Y C 0.346 176.309 175.900 0.104 0.000 1.025 363 Y CA -0.322 57.772 58.100 -0.010 0.000 1.082 363 Y CB 2.940 41.437 38.460 0.061 0.000 1.264 363 Y HN 1.042 nan 8.280 nan 0.000 0.478 364 A N 1.472 124.531 122.820 0.398 0.000 2.508 364 A HA 0.648 4.985 4.320 0.028 0.000 0.297 364 A C -1.135 176.651 177.584 0.337 0.000 1.036 364 A CA -0.356 51.869 52.037 0.314 0.000 0.957 364 A CB -0.178 18.997 19.000 0.292 0.000 1.428 364 A HN 0.940 nan 8.150 nan 0.000 0.393 365 A N 1.639 124.590 122.820 0.219 0.000 2.425 365 A HA 0.492 4.829 4.320 0.028 0.000 0.242 365 A C 0.166 177.859 177.584 0.182 0.000 1.077 365 A CA 0.316 52.450 52.037 0.162 0.000 0.781 365 A CB 0.065 19.098 19.000 0.056 0.000 1.020 365 A HN 0.862 nan 8.150 nan 0.000 0.494 366 D N 1.078 121.565 120.400 0.146 0.000 2.422 366 D HA 0.199 4.856 4.640 0.028 0.000 0.227 366 D C 1.160 177.550 176.300 0.149 0.000 1.190 366 D CA 0.095 54.210 54.000 0.192 0.000 0.905 366 D CB 0.322 41.196 40.800 0.122 0.000 1.034 366 D HN 0.495 nan 8.370 nan 0.000 0.507 367 K N 2.194 122.667 120.400 0.122 0.000 2.015 367 K HA -0.254 4.083 4.320 0.028 0.000 0.216 367 K C 1.581 178.230 176.600 0.082 0.000 1.052 367 K CA 1.352 57.679 56.287 0.066 0.000 0.937 367 K CB 0.082 32.611 32.500 0.048 0.000 0.719 367 K HN 0.529 nan 8.250 nan 0.000 0.446 368 E N 0.473 120.738 120.200 0.108 0.000 2.085 368 E HA -0.190 4.177 4.350 0.028 0.000 0.194 368 E C 2.084 178.769 176.600 0.143 0.000 0.994 368 E CA 1.686 58.152 56.400 0.111 0.000 0.801 368 E CB 0.061 29.826 29.700 0.108 0.000 0.743 368 E HN 0.337 nan 8.360 nan 0.000 0.453 369 S N -0.803 115.004 115.700 0.178 0.000 2.371 369 S HA -0.098 4.389 4.470 0.028 0.000 0.224 369 S C 2.077 176.887 174.600 0.350 0.000 1.029 369 S CA 1.455 59.798 58.200 0.239 0.000 0.978 369 S CB -0.463 62.881 63.200 0.241 0.000 0.833 369 S HN 0.158 nan 8.310 nan 0.000 0.466 370 T N 1.576 116.292 114.554 0.270 0.000 2.867 370 T HA -0.048 4.319 4.350 0.028 0.000 0.268 370 T C 1.902 176.688 174.700 0.144 0.000 1.057 370 T CA 1.582 63.780 62.100 0.162 0.000 1.136 370 T CB -0.396 68.424 68.868 -0.080 0.000 0.874 370 T HN 0.456 nan 8.240 nan 0.000 0.466 371 Q N 1.825 121.693 119.800 0.113 0.000 1.990 371 Q HA 0.008 4.365 4.340 0.028 0.000 0.200 371 Q C 2.186 178.320 176.000 0.224 0.000 0.980 371 Q CA 1.684 57.555 55.803 0.114 0.000 0.832 371 Q CB -0.328 28.451 28.738 0.068 0.000 0.897 371 Q HN 0.417 nan 8.270 nan 0.000 0.427 372 K N -0.880 119.651 120.400 0.218 0.000 2.218 372 K HA -0.167 4.170 4.320 0.028 0.000 0.205 372 K C 1.646 178.451 176.600 0.342 0.000 1.046 372 K CA 1.226 57.654 56.287 0.236 0.000 0.933 372 K CB -0.198 32.420 32.500 0.196 0.000 0.728 372 K HN 0.285 nan 8.250 nan 0.000 0.454 373 A N 0.369 123.453 122.820 0.439 0.000 1.861 373 A HA -0.060 4.277 4.320 0.028 0.000 0.212 373 A C 1.893 179.906 177.584 0.714 0.000 1.199 373 A CA 0.725 53.133 52.037 0.619 0.000 0.613 373 A CB -0.725 18.690 19.000 0.693 0.000 0.846 373 A HN 0.454 nan 8.150 nan 0.000 0.446 374 F N 1.454 121.692 119.950 0.479 0.000 2.161 374 F HA -0.221 4.328 4.527 0.036 0.000 0.300 374 F C 1.623 177.542 175.800 0.198 0.000 1.089 374 F CA 2.098 60.252 58.000 0.257 0.000 1.282 374 F CB -0.057 38.827 39.000 -0.193 0.000 1.010 374 F HN 0.234 nan 8.300 nan 0.000 0.485 375 D N 0.058 120.631 120.400 0.289 0.000 2.117 375 D HA -0.091 4.566 4.640 0.028 0.000 0.198 375 D C 2.502 178.833 176.300 0.052 0.000 0.982 375 D CA 1.444 55.529 54.000 0.141 0.000 0.828 375 D CB -1.110 39.793 40.800 0.171 0.000 0.967 375 D HN 0.422 nan 8.370 nan 0.000 0.464 376 G N 1.455 110.328 108.800 0.122 0.000 2.453 376 G HA2 -0.211 3.766 3.960 0.028 0.000 0.215 376 G HA3 -0.211 3.766 3.960 0.028 0.000 0.215 376 G C 1.556 176.418 174.900 -0.063 0.000 1.201 376 G CA 0.277 45.383 45.100 0.010 0.000 0.784 376 G HN 0.165 nan 8.290 nan 0.000 0.545 377 I N 1.570 122.160 120.570 0.033 0.000 2.423 377 I HA -0.133 4.054 4.170 0.028 0.000 0.254 377 I C 2.804 178.868 176.117 -0.088 0.000 1.151 377 I CA 1.372 62.671 61.300 -0.002 0.000 1.421 377 I CB -1.365 36.733 38.000 0.163 0.000 1.079 377 I HN 0.119 nan 8.210 nan 0.000 0.431 378 T N 1.131 115.579 114.554 -0.177 0.000 2.701 378 T HA -0.110 4.257 4.350 0.028 0.000 0.263 378 T C 1.766 176.404 174.700 -0.103 0.000 1.040 378 T CA 1.240 63.218 62.100 -0.203 0.000 1.147 378 T CB -0.167 68.537 68.868 -0.275 0.000 0.865 378 T HN 0.304 nan 8.240 nan 0.000 0.426 379 N N 1.127 119.780 118.700 -0.079 0.000 2.094 379 N HA -0.138 4.619 4.740 0.028 0.000 0.191 379 N C 1.836 177.309 175.510 -0.063 0.000 1.023 379 N CA 1.218 54.233 53.050 -0.059 0.000 0.857 379 N CB -0.278 38.177 38.487 -0.053 0.000 1.013 379 N HN 0.459 nan 8.380 nan 0.000 0.426 380 K N 1.160 121.510 120.400 -0.083 0.000 1.977 380 K HA -0.125 4.212 4.320 0.028 0.000 0.218 380 K C 2.000 178.576 176.600 -0.040 0.000 1.051 380 K CA 1.585 57.828 56.287 -0.073 0.000 0.953 380 K CB -0.251 32.192 32.500 -0.095 0.000 0.727 380 K HN -0.120 nan 8.250 nan 0.000 0.445 381 V N 2.201 122.094 119.914 -0.035 0.000 2.252 381 V HA -0.327 3.810 4.120 0.028 0.000 0.249 381 V C 2.237 178.322 176.094 -0.015 0.000 1.056 381 V CA 2.216 64.508 62.300 -0.014 0.000 1.022 381 V CB -0.849 30.966 31.823 -0.013 0.000 0.641 381 V HN 0.448 nan 8.190 nan 0.000 0.445 382 N N 0.167 118.851 118.700 -0.028 0.000 2.061 382 N HA -0.168 4.589 4.740 0.028 0.000 0.193 382 N C 2.147 177.646 175.510 -0.018 0.000 1.030 382 N CA 1.943 54.979 53.050 -0.023 0.000 0.856 382 N CB -0.542 37.929 38.487 -0.027 0.000 1.023 382 N HN 0.432 nan 8.380 nan 0.000 0.424 383 S N 0.339 116.027 115.700 -0.019 0.000 2.359 383 S HA -0.094 4.393 4.470 0.028 0.000 0.223 383 S C 2.232 176.833 174.600 0.002 0.000 1.039 383 S CA 1.021 59.214 58.200 -0.011 0.000 1.042 383 S CB -0.379 62.811 63.200 -0.017 0.000 0.915 383 S HN 0.113 nan 8.310 nan 0.000 0.439 384 V N 1.476 121.398 119.914 0.013 0.000 2.324 384 V HA -0.213 3.924 4.120 0.028 0.000 0.250 384 V C 1.988 178.094 176.094 0.020 0.000 1.060 384 V CA 1.757 64.084 62.300 0.044 0.000 1.042 384 V CB -0.574 31.288 31.823 0.066 0.000 0.650 384 V HN 0.413 nan 8.190 nan 0.000 0.450 385 I N 0.156 120.723 120.570 -0.005 0.000 2.235 385 I HA -0.160 4.027 4.170 0.028 0.000 0.241 385 I C 2.475 178.556 176.117 -0.060 0.000 1.085 385 I CA 1.615 62.890 61.300 -0.041 0.000 1.378 385 I CB -0.288 37.694 38.000 -0.029 0.000 1.076 385 I HN 0.450 nan 8.210 nan 0.000 0.415 386 E N 0.284 120.461 120.200 -0.038 0.000 2.489 386 E HA -0.051 4.316 4.350 0.028 0.000 0.193 386 E C 1.290 177.871 176.600 -0.031 0.000 1.057 386 E CA 0.175 56.552 56.400 -0.039 0.000 0.866 386 E CB 0.076 29.760 29.700 -0.027 0.000 0.916 386 E HN 0.262 nan 8.360 nan 0.000 0.500 387 K N 0.574 120.961 120.400 -0.023 0.000 2.426 387 K HA 0.112 4.449 4.320 0.028 0.000 0.193 387 K C 0.646 177.239 176.600 -0.011 0.000 1.028 387 K CA -0.038 56.245 56.287 -0.006 0.000 1.047 387 K CB -0.072 32.438 32.500 0.016 0.000 0.821 387 K HN 0.228 nan 8.250 nan 0.000 0.513 388 M N 2.554 122.120 119.600 -0.057 0.000 2.307 388 M HA 0.029 4.526 4.480 0.028 0.000 0.346 388 M C -0.336 175.907 176.300 -0.095 0.000 1.552 388 M CA -0.501 54.734 55.300 -0.109 0.000 1.116 388 M CB -0.117 32.326 32.600 -0.261 0.000 1.889 388 M HN -0.150 nan 8.290 nan 0.000 0.460 389 N N 3.024 121.695 118.700 -0.049 0.000 2.497 389 N HA 0.237 4.994 4.740 0.028 0.000 0.271 389 N C -1.369 174.091 175.510 -0.084 0.000 1.142 389 N CA 0.214 53.240 53.050 -0.039 0.000 0.965 389 N CB 0.655 39.148 38.487 0.010 0.000 1.077 389 N HN 0.704 nan 8.380 nan 0.000 0.462 390 T N 2.894 117.403 114.554 -0.075 0.000 2.965 390 T HA 0.326 4.693 4.350 0.028 0.000 0.306 390 T C -0.802 173.873 174.700 -0.042 0.000 0.991 390 T CA -0.706 61.339 62.100 -0.092 0.000 1.001 390 T CB 0.244 69.041 68.868 -0.118 0.000 0.984 390 T HN 0.611 nan 8.240 nan 0.000 0.446 391 Q N 3.591 123.375 119.800 -0.027 0.000 2.699 391 Q HA 0.594 4.951 4.340 0.028 0.000 0.240 391 Q C -0.934 175.102 176.000 0.060 0.000 1.033 391 Q CA -1.139 54.683 55.803 0.032 0.000 0.938 391 Q CB 1.509 30.275 28.738 0.046 0.000 1.312 391 Q HN 0.648 nan 8.270 nan 0.000 0.507 392 F N 0.056 119.981 119.950 -0.041 0.000 2.405 392 F HA 0.563 5.108 4.527 0.028 0.000 0.355 392 F C -0.370 175.409 175.800 -0.035 0.000 1.121 392 F CA 0.050 58.023 58.000 -0.044 0.000 1.112 392 F CB 0.747 39.724 39.000 -0.039 0.000 1.126 392 F HN 0.796 nan 8.300 nan 0.000 0.481 393 E N 3.085 123.083 120.200 -0.337 0.000 2.433 393 E HA 0.733 5.100 4.350 0.028 0.000 0.273 393 E C -0.779 175.630 176.600 -0.319 0.000 0.950 393 E CA -0.255 56.056 56.400 -0.148 0.000 0.796 393 E CB 1.387 31.050 29.700 -0.062 0.000 1.330 393 E HN 0.841 nan 8.360 nan 0.000 0.455 394 A N -0.798 121.960 122.820 -0.104 0.000 2.055 394 A HA 0.499 4.836 4.320 0.028 0.000 0.205 394 A C 1.769 179.307 177.584 -0.077 0.000 1.235 394 A CA 1.746 53.721 52.037 -0.102 0.000 0.822 394 A CB -0.333 18.671 19.000 0.005 0.000 0.903 394 A HN 1.640 nan 8.150 nan 0.000 0.473 395 V N -0.807 119.093 119.914 -0.024 0.000 0.654 395 V HA -0.328 3.809 4.120 0.028 0.000 0.092 395 V C 1.574 177.678 176.094 0.017 0.000 1.273 395 V CA 1.542 63.842 62.300 0.000 0.000 3.214 395 V CB -2.280 29.521 31.823 -0.036 0.000 0.444 395 V HN 1.288 nan 8.190 nan 0.000 0.438 396 G N 2.079 110.871 108.800 -0.012 0.000 2.224 396 G HA2 0.329 4.306 3.960 0.028 0.000 0.239 396 G HA3 0.329 4.306 3.960 0.028 0.000 0.239 396 G C -0.441 174.464 174.900 0.008 0.000 1.240 396 G CA 1.051 46.152 45.100 0.002 0.000 0.896 396 G HN 0.784 nan 8.290 nan 0.000 0.496 397 K N 0.582 120.995 120.400 0.023 0.000 2.466 397 K HA 0.411 4.748 4.320 0.028 0.000 0.260 397 K C -0.824 175.706 176.600 -0.116 0.000 1.011 397 K CA -0.818 55.440 56.287 -0.050 0.000 0.871 397 K CB 2.000 34.480 32.500 -0.035 0.000 1.404 397 K HN 0.449 nan 8.250 nan 0.000 0.450 398 E N 1.572 121.564 120.200 -0.347 0.000 2.176 398 E HA 0.403 4.770 4.350 0.028 0.000 0.267 398 E C -1.204 175.048 176.600 -0.581 0.000 0.893 398 E CA -0.443 55.777 56.400 -0.300 0.000 0.761 398 E CB 1.351 30.920 29.700 -0.219 0.000 1.133 398 E HN 0.291 nan 8.360 nan 0.000 0.409 399 F N 0.379 120.345 119.950 0.027 0.000 2.591 399 F HA 0.173 4.716 4.527 0.027 0.000 0.309 399 F C 0.925 176.754 175.800 0.048 0.000 1.098 399 F CA -0.767 57.253 58.000 0.034 0.000 0.937 399 F CB 1.736 40.753 39.000 0.028 0.000 1.250 399 F HN 0.348 nan 8.300 nan 0.000 0.447 400 S N 1.114 116.970 115.700 0.260 0.000 2.596 400 S HA 0.209 4.696 4.470 0.028 0.000 0.262 400 S C 0.727 175.415 174.600 0.148 0.000 1.218 400 S CA -0.284 58.025 58.200 0.181 0.000 0.998 400 S CB 0.418 63.718 63.200 0.165 0.000 1.060 400 S HN 0.613 nan 8.310 nan 0.000 0.552 401 N N -0.075 118.691 118.700 0.110 0.000 2.415 401 N HA 0.205 4.962 4.740 0.028 0.000 0.176 401 N C 0.952 176.500 175.510 0.063 0.000 1.042 401 N CA 0.454 53.551 53.050 0.079 0.000 0.902 401 N CB -0.520 38.006 38.487 0.065 0.000 0.986 401 N HN 0.510 nan 8.380 nan 0.000 0.447 402 L N 0.768 122.034 121.223 0.072 0.000 2.688 402 L HA 0.183 4.540 4.340 0.028 0.000 0.234 402 L C 0.242 177.144 176.870 0.053 0.000 1.192 402 L CA 0.349 55.222 54.840 0.055 0.000 0.984 402 L CB 0.072 42.166 42.059 0.057 0.000 1.232 402 L HN -0.010 nan 8.230 nan 0.000 0.465 403 E N -0.655 119.582 120.200 0.060 0.000 2.812 403 E HA 0.122 4.489 4.350 0.028 0.000 0.211 403 E C 1.185 177.739 176.600 -0.076 0.000 0.986 403 E CA -0.215 56.204 56.400 0.030 0.000 1.119 403 E CB 0.628 30.431 29.700 0.172 0.000 1.046 403 E HN 0.278 nan 8.360 nan 0.000 0.474 404 R N 0.611 121.084 120.500 -0.045 0.000 2.159 404 R HA -0.071 4.286 4.340 0.028 0.000 0.237 404 R C 1.973 178.195 176.300 -0.130 0.000 1.131 404 R CA 1.159 57.217 56.100 -0.071 0.000 0.982 404 R CB 0.041 30.324 30.300 -0.029 0.000 0.868 404 R HN 0.086 nan 8.270 nan 0.000 0.453 405 R N -0.186 120.238 120.500 -0.126 0.000 2.062 405 R HA -0.061 4.296 4.340 0.028 0.000 0.226 405 R C 2.103 178.269 176.300 -0.224 0.000 1.125 405 R CA 0.699 56.718 56.100 -0.135 0.000 0.966 405 R CB -0.351 29.898 30.300 -0.085 0.000 0.861 405 R HN 0.054 nan 8.270 nan 0.000 0.433 406 L N 1.832 122.872 121.223 -0.305 0.000 2.012 406 L HA -0.197 4.160 4.340 0.028 0.000 0.210 406 L C 2.215 178.540 176.870 -0.909 0.000 1.073 406 L CA 1.830 56.376 54.840 -0.489 0.000 0.748 406 L CB -0.854 40.940 42.059 -0.441 0.000 0.891 406 L HN 0.216 nan 8.230 nan 0.000 0.431 407 E N -0.771 118.736 120.200 -1.156 0.000 2.070 407 E HA -0.303 4.064 4.350 0.028 0.000 0.197 407 E C 2.099 178.489 176.600 -0.349 0.000 1.004 407 E CA 1.658 57.532 56.400 -0.878 0.000 0.805 407 E CB -0.302 29.176 29.700 -0.370 0.000 0.744 407 E HN 0.607 nan 8.360 nan 0.000 0.451 408 N N 0.409 118.963 118.700 -0.244 0.000 2.223 408 N HA -0.163 4.594 4.740 0.028 0.000 0.185 408 N C 2.211 177.655 175.510 -0.111 0.000 1.016 408 N CA 0.555 53.527 53.050 -0.130 0.000 0.863 408 N CB -0.084 38.344 38.487 -0.098 0.000 0.983 408 N HN 0.285 nan 8.380 nan 0.000 0.429 409 L N 1.015 122.151 121.223 -0.145 0.000 2.083 409 L HA -0.184 4.173 4.340 0.028 0.000 0.209 409 L C 2.171 179.008 176.870 -0.054 0.000 1.083 409 L CA 1.350 56.133 54.840 -0.094 0.000 0.752 409 L CB -0.453 41.548 42.059 -0.097 0.000 0.899 409 L HN 0.260 nan 8.230 nan 0.000 0.433 410 N N 0.156 118.819 118.700 -0.061 0.000 2.142 410 N HA -0.276 4.481 4.740 0.028 0.000 0.186 410 N C 1.934 177.471 175.510 0.045 0.000 1.023 410 N CA 1.534 54.610 53.050 0.043 0.000 0.852 410 N CB -0.110 38.463 38.487 0.144 0.000 0.998 410 N HN 0.166 nan 8.380 nan 0.000 0.424 411 K N 0.658 121.064 120.400 0.010 0.000 2.026 411 K HA -0.219 4.118 4.320 0.028 0.000 0.208 411 K C 1.953 178.556 176.600 0.005 0.000 1.048 411 K CA 1.372 57.670 56.287 0.018 0.000 0.929 411 K CB -0.200 32.302 32.500 0.003 0.000 0.713 411 K HN 0.065 nan 8.250 nan 0.000 0.439 412 K N 1.058 121.445 120.400 -0.023 0.000 2.074 412 K HA -0.162 4.175 4.320 0.028 0.000 0.209 412 K C 2.140 178.705 176.600 -0.059 0.000 1.048 412 K CA 1.777 58.040 56.287 -0.041 0.000 0.926 412 K CB -0.211 32.257 32.500 -0.053 0.000 0.713 412 K HN 0.211 nan 8.250 nan 0.000 0.444 413 M N -0.035 119.539 119.600 -0.044 0.000 2.123 413 M HA -0.149 4.348 4.480 0.028 0.000 0.263 413 M C 1.745 178.040 176.300 -0.008 0.000 1.069 413 M CA 1.872 57.128 55.300 -0.074 0.000 1.133 413 M CB -0.123 32.483 32.600 0.010 0.000 1.356 413 M HN 0.136 nan 8.290 nan 0.000 0.415 414 E N 0.969 121.230 120.200 0.102 0.000 2.077 414 E HA -0.197 4.170 4.350 0.028 0.000 0.193 414 E C 1.471 178.171 176.600 0.168 0.000 0.989 414 E CA 1.740 58.254 56.400 0.190 0.000 0.800 414 E CB -0.209 29.581 29.700 0.151 0.000 0.746 414 E HN 0.490 nan 8.360 nan 0.000 0.452 415 D N -0.840 119.610 120.400 0.083 0.000 2.104 415 D HA -0.117 4.540 4.640 0.028 0.000 0.194 415 D C 1.872 178.194 176.300 0.037 0.000 0.994 415 D CA 1.482 55.521 54.000 0.066 0.000 0.830 415 D CB -0.840 39.973 40.800 0.021 0.000 0.959 415 D HN 0.342 nan 8.370 nan 0.000 0.452 416 G N -0.090 108.671 108.800 -0.066 0.000 2.513 416 G HA2 -0.296 3.681 3.960 0.028 0.000 0.219 416 G HA3 -0.296 3.681 3.960 0.028 0.000 0.219 416 G C 1.603 176.421 174.900 -0.136 0.000 1.160 416 G CA 0.573 45.565 45.100 -0.181 0.000 0.767 416 G HN 0.284 nan 8.290 nan 0.000 0.571 417 F N -0.141 119.866 119.950 0.095 0.000 2.186 417 F HA 0.061 4.602 4.527 0.024 0.000 0.299 417 F C 2.462 178.416 175.800 0.256 0.000 1.090 417 F CA 0.456 58.554 58.000 0.165 0.000 1.307 417 F CB -0.206 38.957 39.000 0.271 0.000 1.019 417 F HN 0.141 nan 8.300 nan 0.000 0.489 418 L N 0.567 122.020 121.223 0.383 0.000 1.989 418 L HA -0.260 4.097 4.340 0.028 0.000 0.211 418 L C 1.889 178.882 176.870 0.205 0.000 1.071 418 L CA 2.005 57.025 54.840 0.300 0.000 0.749 418 L CB -0.827 41.370 42.059 0.231 0.000 0.890 418 L HN -0.034 nan 8.230 nan 0.000 0.431 419 D N -0.710 119.764 120.400 0.124 0.000 2.104 419 D HA -0.199 4.458 4.640 0.028 0.000 0.194 419 D C 2.362 178.714 176.300 0.086 0.000 0.994 419 D CA 1.771 55.812 54.000 0.068 0.000 0.830 419 D CB -0.588 40.213 40.800 0.003 0.000 0.959 419 D HN 0.293 nan 8.370 nan 0.000 0.452 420 V N -0.127 119.823 119.914 0.059 0.000 2.287 420 V HA -0.235 3.902 4.120 0.028 0.000 0.248 420 V C 2.163 178.255 176.094 -0.004 0.000 1.053 420 V CA 1.606 63.895 62.300 -0.018 0.000 1.027 420 V CB -0.554 31.198 31.823 -0.118 0.000 0.646 420 V HN 0.304 nan 8.190 nan 0.000 0.447 421 W N -0.128 121.272 121.300 0.166 0.000 2.388 421 W HA -0.131 4.528 4.660 -0.001 0.000 0.294 421 W C 2.634 179.163 176.519 0.017 0.000 1.212 421 W CA 1.448 58.882 57.345 0.147 0.000 1.271 421 W CB -0.621 28.963 29.460 0.208 0.000 1.126 421 W HN 0.131 nan 8.180 nan 0.000 0.535 422 T N -0.603 114.077 114.554 0.210 0.000 2.737 422 T HA -0.296 4.071 4.350 0.028 0.000 0.265 422 T C 1.359 176.074 174.700 0.026 0.000 1.038 422 T CA 1.520 63.646 62.100 0.044 0.000 1.144 422 T CB -0.862 68.020 68.868 0.023 0.000 0.866 422 T HN 0.124 nan 8.240 nan 0.000 0.434 423 Y N 2.700 122.982 120.300 -0.031 0.000 2.165 423 Y HA -0.206 4.371 4.550 0.045 0.000 0.286 423 Y C 2.141 178.011 175.900 -0.051 0.000 1.155 423 Y CA 1.326 59.398 58.100 -0.047 0.000 1.164 423 Y CB -0.456 37.977 38.460 -0.045 0.000 0.978 423 Y HN 0.129 nan 8.280 nan 0.000 0.513 424 N N 0.153 118.853 118.700 0.001 0.000 2.062 424 N HA -0.130 4.627 4.740 0.028 0.000 0.191 424 N C 2.080 177.523 175.510 -0.112 0.000 1.042 424 N CA 1.723 54.739 53.050 -0.057 0.000 0.845 424 N CB -1.097 37.410 38.487 0.034 0.000 1.024 424 N HN 0.438 nan 8.380 nan 0.000 0.424 425 A N 1.668 124.394 122.820 -0.157 0.000 1.917 425 A HA -0.196 4.141 4.320 0.028 0.000 0.219 425 A C 2.054 179.452 177.584 -0.311 0.000 1.182 425 A CA 1.477 53.257 52.037 -0.428 0.000 0.633 425 A CB -0.515 17.748 19.000 -1.228 0.000 0.819 425 A HN 0.182 nan 8.150 nan 0.000 0.448 426 E N -0.402 119.634 120.200 -0.272 0.000 2.021 426 E HA -0.209 4.158 4.350 0.028 0.000 0.200 426 E C 1.971 178.440 176.600 -0.219 0.000 1.015 426 E CA 1.337 57.602 56.400 -0.225 0.000 0.824 426 E CB -0.592 28.984 29.700 -0.206 0.000 0.762 426 E HN 0.454 nan 8.360 nan 0.000 0.454 427 L N 0.637 121.683 121.223 -0.296 0.000 2.131 427 L HA -0.152 4.205 4.340 0.028 0.000 0.210 427 L C 2.441 179.215 176.870 -0.160 0.000 1.092 427 L CA 0.855 55.534 54.840 -0.269 0.000 0.759 427 L CB -0.895 40.919 42.059 -0.408 0.000 0.903 427 L HN 0.156 nan 8.230 nan 0.000 0.435 428 L N -1.146 119.999 121.223 -0.129 0.000 1.989 428 L HA -0.182 4.175 4.340 0.028 0.000 0.211 428 L C 2.462 179.302 176.870 -0.050 0.000 1.071 428 L CA 1.702 56.507 54.840 -0.057 0.000 0.749 428 L CB -0.748 41.313 42.059 0.002 0.000 0.890 428 L HN 0.028 nan 8.230 nan 0.000 0.431 429 V N -0.231 119.643 119.914 -0.068 0.000 2.252 429 V HA -0.354 3.784 4.120 0.028 0.000 0.249 429 V C 2.660 178.722 176.094 -0.054 0.000 1.056 429 V CA 2.234 64.502 62.300 -0.052 0.000 1.022 429 V CB -0.618 31.164 31.823 -0.068 0.000 0.641 429 V HN 0.475 nan 8.190 nan 0.000 0.445 430 L N -1.187 119.990 121.223 -0.077 0.000 1.990 430 L HA -0.296 4.061 4.340 0.028 0.000 0.213 430 L C 2.573 179.410 176.870 -0.055 0.000 1.072 430 L CA 2.204 57.002 54.840 -0.070 0.000 0.755 430 L CB -0.417 41.588 42.059 -0.091 0.000 0.889 430 L HN 0.346 nan 8.230 nan 0.000 0.432 431 M N -1.427 118.137 119.600 -0.060 0.000 2.132 431 M HA -0.161 4.336 4.480 0.028 0.000 0.263 431 M C 2.073 178.354 176.300 -0.032 0.000 1.065 431 M CA 1.324 56.597 55.300 -0.045 0.000 1.122 431 M CB -0.424 32.148 32.600 -0.047 0.000 1.365 431 M HN 0.117 nan 8.290 nan 0.000 0.411 432 E N 0.537 120.719 120.200 -0.030 0.000 2.338 432 E HA -0.106 4.261 4.350 0.028 0.000 0.197 432 E C 1.438 178.028 176.600 -0.017 0.000 1.007 432 E CA 0.858 57.244 56.400 -0.023 0.000 0.849 432 E CB -0.344 29.345 29.700 -0.017 0.000 0.774 432 E HN 0.459 nan 8.360 nan 0.000 0.506 433 N N 0.799 119.489 118.700 -0.016 0.000 2.290 433 N HA -0.117 4.640 4.740 0.028 0.000 0.179 433 N C 1.672 177.180 175.510 -0.003 0.000 1.016 433 N CA 1.077 54.122 53.050 -0.007 0.000 0.871 433 N CB -0.070 38.408 38.487 -0.014 0.000 0.987 433 N HN 0.431 nan 8.380 nan 0.000 0.431 434 E N 0.746 120.939 120.200 -0.011 0.000 2.153 434 E HA -0.103 4.264 4.350 0.028 0.000 0.194 434 E C 1.595 178.204 176.600 0.015 0.000 0.988 434 E CA 0.810 57.206 56.400 -0.006 0.000 0.811 434 E CB 0.028 29.718 29.700 -0.017 0.000 0.746 434 E HN 0.073 nan 8.360 nan 0.000 0.466 435 R N 0.570 121.077 120.500 0.012 0.000 2.066 435 R HA -0.033 4.324 4.340 0.028 0.000 0.232 435 R C 2.406 178.739 176.300 0.055 0.000 1.131 435 R CA 1.804 57.921 56.100 0.028 0.000 0.955 435 R CB -1.062 29.233 30.300 -0.007 0.000 0.851 435 R HN 0.295 nan 8.270 nan 0.000 0.432 436 T N 2.596 117.171 114.554 0.035 0.000 2.684 436 T HA -0.069 4.298 4.350 0.028 0.000 0.267 436 T C 2.093 176.865 174.700 0.121 0.000 1.036 436 T CA 1.167 63.305 62.100 0.062 0.000 1.148 436 T CB -0.251 68.646 68.868 0.049 0.000 0.863 436 T HN 0.117 nan 8.240 nan 0.000 0.436 437 L N 0.968 122.249 121.223 0.095 0.000 1.989 437 L HA -0.155 4.202 4.340 0.028 0.000 0.211 437 L C 2.573 179.489 176.870 0.076 0.000 1.071 437 L CA 1.441 56.330 54.840 0.082 0.000 0.749 437 L CB -0.862 41.202 42.059 0.008 0.000 0.890 437 L HN 0.172 nan 8.230 nan 0.000 0.431 438 D N -0.027 120.431 120.400 0.096 0.000 2.133 438 D HA -0.244 4.413 4.640 0.028 0.000 0.192 438 D C 1.865 178.266 176.300 0.169 0.000 1.001 438 D CA 1.302 55.408 54.000 0.177 0.000 0.844 438 D CB -0.360 40.569 40.800 0.215 0.000 0.944 438 D HN 0.179 nan 8.370 nan 0.000 0.447 439 F N 1.961 121.883 119.950 -0.046 0.000 2.043 439 F HA -0.293 4.259 4.527 0.041 0.000 0.297 439 F C 2.481 178.138 175.800 -0.239 0.000 1.118 439 F CA 1.782 59.679 58.000 -0.172 0.000 1.202 439 F CB -0.692 38.173 39.000 -0.224 0.000 0.965 439 F HN 0.097 nan 8.300 nan 0.000 0.482 440 H N -0.395 118.494 119.070 -0.302 0.000 2.289 440 H HA -0.216 4.358 4.556 0.029 0.000 0.296 440 H C 2.071 177.130 175.328 -0.449 0.000 1.091 440 H CA 2.024 57.831 56.048 -0.401 0.000 1.274 440 H CB -1.028 28.567 29.762 -0.278 0.000 1.364 440 H HN 0.357 nan 8.280 nan 0.000 0.490 441 D N 0.129 120.418 120.400 -0.184 0.000 2.126 441 D HA -0.181 4.476 4.640 0.028 0.000 0.190 441 D C 2.492 178.606 176.300 -0.310 0.000 1.001 441 D CA 2.073 55.944 54.000 -0.215 0.000 0.841 441 D CB -0.224 40.563 40.800 -0.022 0.000 0.949 441 D HN 0.222 nan 8.370 nan 0.000 0.446 442 S N -0.468 114.951 115.700 -0.468 0.000 2.351 442 S HA -0.241 4.246 4.470 0.028 0.000 0.220 442 S C 1.928 176.160 174.600 -0.613 0.000 1.035 442 S CA 1.724 59.391 58.200 -0.888 0.000 1.031 442 S CB -0.577 61.857 63.200 -1.276 0.000 0.928 442 S HN 0.272 nan 8.310 nan 0.000 0.433 443 N N 1.304 119.600 118.700 -0.673 0.000 2.037 443 N HA -0.121 4.636 4.740 0.028 0.000 0.196 443 N C 1.846 176.954 175.510 -0.669 0.000 1.034 443 N CA 1.683 54.309 53.050 -0.707 0.000 0.861 443 N CB -1.308 36.602 38.487 -0.960 0.000 1.039 443 N HN 0.351 nan 8.380 nan 0.000 0.427 444 V N 1.439 120.914 119.914 -0.732 0.000 2.219 444 V HA -0.291 3.846 4.120 0.028 0.000 0.248 444 V C 2.420 178.399 176.094 -0.192 0.000 1.053 444 V CA 2.132 64.165 62.300 -0.444 0.000 1.009 444 V CB -0.646 30.970 31.823 -0.345 0.000 0.636 444 V HN 0.354 nan 8.190 nan 0.000 0.445 445 K N 0.758 121.050 120.400 -0.182 0.000 2.160 445 K HA -0.229 4.108 4.320 0.028 0.000 0.206 445 K C 1.785 178.427 176.600 0.070 0.000 1.047 445 K CA 2.069 58.360 56.287 0.007 0.000 0.930 445 K CB -0.421 32.088 32.500 0.015 0.000 0.720 445 K HN 0.477 nan 8.250 nan 0.000 0.450 446 N N 0.230 118.884 118.700 -0.076 0.000 2.216 446 N HA -0.115 4.643 4.740 0.028 0.000 0.183 446 N C 1.547 177.074 175.510 0.029 0.000 1.017 446 N CA 1.076 54.107 53.050 -0.032 0.000 0.861 446 N CB -0.250 38.169 38.487 -0.114 0.000 0.986 446 N HN 0.177 nan 8.380 nan 0.000 0.428 447 L N 0.348 121.567 121.223 -0.007 0.000 2.046 447 L HA -0.131 4.226 4.340 0.028 0.000 0.208 447 L C 2.151 179.128 176.870 0.178 0.000 1.077 447 L CA 1.466 56.339 54.840 0.054 0.000 0.747 447 L CB -0.906 41.135 42.059 -0.031 0.000 0.896 447 L HN 0.147 nan 8.230 nan 0.000 0.432 448 Y N 0.187 120.560 120.300 0.122 0.000 2.145 448 Y HA -0.273 4.294 4.550 0.028 0.000 0.286 448 Y C 2.243 178.304 175.900 0.268 0.000 1.145 448 Y CA 2.134 60.392 58.100 0.263 0.000 1.148 448 Y CB -0.227 38.432 38.460 0.331 0.000 0.981 448 Y HN 0.273 nan 8.280 nan 0.000 0.507 449 D N 0.052 120.651 120.400 0.330 0.000 2.178 449 D HA -0.169 4.488 4.640 0.028 0.000 0.201 449 D C 2.006 178.338 176.300 0.053 0.000 0.980 449 D CA 1.229 55.341 54.000 0.188 0.000 0.842 449 D CB -0.253 40.658 40.800 0.186 0.000 0.948 449 D HN 0.364 nan 8.370 nan 0.000 0.472 450 K N 0.277 120.714 120.400 0.062 0.000 2.148 450 K HA -0.069 4.268 4.320 0.028 0.000 0.204 450 K C 1.718 178.306 176.600 -0.018 0.000 1.050 450 K CA 0.616 56.924 56.287 0.036 0.000 0.942 450 K CB 0.221 32.763 32.500 0.070 0.000 0.724 450 K HN -0.040 nan 8.250 nan 0.000 0.446 451 V N 0.830 120.714 119.914 -0.050 0.000 2.379 451 V HA -0.117 4.020 4.120 0.028 0.000 0.243 451 V C 2.420 178.216 176.094 -0.496 0.000 1.035 451 V CA 1.550 63.730 62.300 -0.200 0.000 1.035 451 V CB -0.433 31.345 31.823 -0.075 0.000 0.673 451 V HN 0.370 nan 8.190 nan 0.000 0.457 452 R N -0.078 120.087 120.500 -0.559 0.000 2.117 452 R HA -0.199 4.158 4.340 0.028 0.000 0.243 452 R C 2.216 178.314 176.300 -0.338 0.000 1.143 452 R CA 1.996 57.712 56.100 -0.639 0.000 0.968 452 R CB -0.248 29.919 30.300 -0.222 0.000 0.863 452 R HN 0.413 nan 8.270 nan 0.000 0.444 453 M N -0.069 119.424 119.600 -0.178 0.000 2.229 453 M HA -0.149 4.348 4.480 0.028 0.000 0.264 453 M C 2.251 178.504 176.300 -0.078 0.000 1.063 453 M CA 1.523 56.771 55.300 -0.086 0.000 1.114 453 M CB -0.087 32.497 32.600 -0.026 0.000 1.387 453 M HN 0.293 nan 8.290 nan 0.000 0.420 454 Q N 0.437 120.166 119.800 -0.118 0.000 1.994 454 Q HA -0.068 4.289 4.340 0.028 0.000 0.198 454 Q C 2.148 178.121 176.000 -0.045 0.000 0.976 454 Q CA 1.182 56.959 55.803 -0.045 0.000 0.828 454 Q CB -0.133 28.560 28.738 -0.075 0.000 0.894 454 Q HN 0.498 nan 8.270 nan 0.000 0.432 455 L N 0.160 121.182 121.223 -0.336 0.000 2.079 455 L HA -0.236 4.121 4.340 0.028 0.000 0.210 455 L C 1.431 178.244 176.870 -0.094 0.000 1.081 455 L CA 0.944 55.565 54.840 -0.365 0.000 0.752 455 L CB -0.520 41.095 42.059 -0.740 0.000 0.896 455 L HN 0.333 nan 8.230 nan 0.000 0.433 456 R N -0.417 120.000 120.500 -0.140 0.000 3.896 456 R HA -0.366 3.991 4.340 0.028 0.000 0.391 456 R C 1.364 177.663 176.300 -0.002 0.000 0.244 456 R CA 2.270 58.346 56.100 -0.039 0.000 1.261 456 R CB -1.486 28.838 30.300 0.040 0.000 0.966 456 R HN 0.259 nan 8.270 nan 0.000 0.576 457 D N 0.426 120.873 120.400 0.077 0.000 2.277 457 D HA 0.030 4.687 4.640 0.028 0.000 0.208 457 D C 1.046 177.481 176.300 0.226 0.000 0.962 457 D CA 1.249 55.328 54.000 0.130 0.000 0.865 457 D CB -0.147 40.726 40.800 0.122 0.000 0.939 457 D HN 0.416 nan 8.370 nan 0.000 0.510 458 N N -0.442 118.392 118.700 0.223 0.000 2.314 458 N HA 0.080 4.837 4.740 0.028 0.000 0.200 458 N C -0.581 174.964 175.510 0.058 0.000 1.135 458 N CA -0.147 53.117 53.050 0.358 0.000 0.835 458 N CB 1.129 39.942 38.487 0.543 0.000 0.989 458 N HN 0.022 nan 8.380 nan 0.000 0.478 459 V N -2.510 117.268 119.914 -0.228 0.000 2.888 459 V HA 0.383 4.520 4.120 0.028 0.000 0.309 459 V C -0.568 175.204 176.094 -0.536 0.000 1.114 459 V CA -1.370 60.556 62.300 -0.624 0.000 0.940 459 V CB 2.148 33.581 31.823 -0.649 0.000 1.021 459 V HN -0.080 nan 8.190 nan 0.000 0.426 460 K N 2.001 121.983 120.400 -0.697 0.000 2.298 460 K HA 0.288 4.625 4.320 0.028 0.000 0.280 460 K C -0.081 176.473 176.600 -0.077 0.000 1.032 460 K CA -0.178 55.955 56.287 -0.257 0.000 0.958 460 K CB 0.950 33.340 32.500 -0.184 0.000 0.978 460 K HN 0.981 nan 8.250 nan 0.000 0.472 461 E N 5.687 125.904 120.200 0.027 0.000 1.986 461 E HA 0.051 4.418 4.350 0.028 0.000 0.264 461 E C 0.857 177.452 176.600 -0.008 0.000 1.023 461 E CA -0.207 56.243 56.400 0.083 0.000 0.834 461 E CB 0.308 30.096 29.700 0.147 0.000 1.111 461 E HN 0.677 nan 8.360 nan 0.000 0.417 462 L N 2.896 124.083 121.223 -0.059 0.000 1.971 462 L HA -0.153 4.204 4.340 0.028 0.000 0.215 462 L C 1.682 178.526 176.870 -0.043 0.000 1.072 462 L CA 1.700 56.512 54.840 -0.047 0.000 0.758 462 L CB -0.363 41.666 42.059 -0.051 0.000 0.889 462 L HN 0.871 nan 8.230 nan 0.000 0.433 463 G N -0.977 107.781 108.800 -0.070 0.000 2.260 463 G HA2 -0.214 3.763 3.960 0.028 0.000 0.179 463 G HA3 -0.214 3.763 3.960 0.028 0.000 0.179 463 G C 0.402 175.298 174.900 -0.006 0.000 1.002 463 G CA 0.266 45.319 45.100 -0.079 0.000 0.677 463 G HN 0.466 nan 8.290 nan 0.000 0.486 464 N N 0.720 119.441 118.700 0.034 0.000 2.270 464 N HA 0.440 5.197 4.740 0.028 0.000 0.198 464 N C 1.523 177.136 175.510 0.172 0.000 1.117 464 N CA 0.768 53.881 53.050 0.105 0.000 0.845 464 N CB 0.361 38.888 38.487 0.067 0.000 0.980 464 N HN 1.573 nan 8.380 nan 0.000 0.486 465 G N -1.295 107.616 108.800 0.184 0.000 2.148 465 G HA2 -0.211 3.766 3.960 0.028 0.000 0.203 465 G HA3 -0.211 3.766 3.960 0.028 0.000 0.203 465 G C -0.291 174.719 174.900 0.183 0.000 0.993 465 G CA -0.044 45.264 45.100 0.348 0.000 0.661 465 G HN 0.448 nan 8.290 nan 0.000 0.518 466 C N -0.280 118.973 119.300 -0.079 0.000 2.562 466 C HA 0.884 5.361 4.460 0.028 0.000 0.332 466 C C -0.246 174.438 174.990 -0.510 0.000 1.201 466 C CA -0.697 58.213 59.018 -0.182 0.000 1.803 466 C CB 0.948 28.686 27.740 -0.003 0.000 2.328 466 C HN 0.318 nan 8.230 nan 0.000 0.500 467 F N 1.028 120.953 119.950 -0.041 0.000 2.518 467 F HA 0.406 4.950 4.527 0.028 0.000 0.323 467 F C 0.142 175.764 175.800 -0.297 0.000 1.129 467 F CA -0.444 57.414 58.000 -0.236 0.000 0.920 467 F CB 1.107 39.853 39.000 -0.422 0.000 1.160 467 F HN 0.520 nan 8.300 nan 0.000 0.440 468 E N 3.579 123.697 120.200 -0.137 0.000 2.081 468 E HA 0.324 4.691 4.350 0.028 0.000 0.281 468 E C -1.096 175.311 176.600 -0.323 0.000 0.986 468 E CA -0.628 55.685 56.400 -0.145 0.000 0.796 468 E CB 0.633 30.279 29.700 -0.089 0.000 1.085 468 E HN 0.388 nan 8.360 nan 0.000 0.398 469 F N 3.546 123.377 119.950 -0.199 0.000 2.543 469 F HA 0.020 4.564 4.527 0.028 0.000 0.375 469 F C 0.933 176.578 175.800 -0.258 0.000 1.075 469 F CA 0.303 58.111 58.000 -0.320 0.000 1.225 469 F CB 0.339 39.135 39.000 -0.341 0.000 1.099 469 F HN 0.678 nan 8.300 nan 0.000 0.561 470 Y N 0.914 121.241 120.300 0.046 0.000 2.092 470 Y HA -0.180 4.387 4.550 0.029 0.000 0.282 470 Y C 1.468 177.426 175.900 0.097 0.000 1.126 470 Y CA 0.835 58.980 58.100 0.075 0.000 1.111 470 Y CB -0.530 37.989 38.460 0.098 0.000 0.987 470 Y HN 0.573 nan 8.280 nan 0.000 0.489 471 H N 0.253 119.535 119.070 0.354 0.000 2.671 471 H HA 0.250 4.823 4.556 0.028 0.000 0.372 471 H C -0.514 174.903 175.328 0.148 0.000 1.227 471 H CA -1.034 55.142 56.048 0.213 0.000 1.426 471 H CB 0.337 30.203 29.762 0.174 0.000 1.480 471 H HN -0.072 nan 8.280 nan 0.000 0.611 472 K N 1.182 121.711 120.400 0.214 0.000 2.298 472 K HA 0.229 4.566 4.320 0.028 0.000 0.280 472 K C -0.995 175.639 176.600 0.058 0.000 1.032 472 K CA -0.442 55.893 56.287 0.079 0.000 0.958 472 K CB 0.806 33.342 32.500 0.060 0.000 0.978 472 K HN 0.637 nan 8.250 nan 0.000 0.472 473 c N 5.477 123.977 118.600 -0.166 0.000 2.787 473 c HA 0.148 4.735 4.570 0.028 0.000 0.265 473 c C -0.293 173.663 174.090 -0.224 0.000 1.190 473 c CA -1.035 55.104 56.329 -0.317 0.000 1.616 473 c CB -1.623 40.258 42.510 -1.049 0.000 1.732 473 c HN 0.895 nan 8.230 nan 0.000 0.433 474 D N 1.738 122.066 120.400 -0.121 0.000 2.349 474 D HA 0.020 4.677 4.640 0.028 0.000 0.239 474 D C 0.944 177.162 176.300 -0.137 0.000 1.315 474 D CA 0.096 54.035 54.000 -0.100 0.000 0.937 474 D CB 0.729 41.491 40.800 -0.063 0.000 1.133 474 D HN 0.338 nan 8.370 nan 0.000 0.489 475 D N -0.406 119.921 120.400 -0.122 0.000 2.126 475 D HA -0.191 4.466 4.640 0.028 0.000 0.190 475 D C 1.860 178.074 176.300 -0.144 0.000 1.001 475 D CA 1.485 55.391 54.000 -0.157 0.000 0.841 475 D CB -0.168 40.569 40.800 -0.105 0.000 0.949 475 D HN 0.457 nan 8.370 nan 0.000 0.446 476 E N 0.315 120.457 120.200 -0.096 0.000 2.033 476 E HA -0.219 4.148 4.350 0.028 0.000 0.199 476 E C 2.440 178.995 176.600 -0.075 0.000 1.011 476 E CA 0.890 57.246 56.400 -0.075 0.000 0.815 476 E CB -1.213 28.453 29.700 -0.056 0.000 0.755 476 E HN 0.394 nan 8.360 nan 0.000 0.451 477 c N 1.390 119.945 118.600 -0.075 0.000 2.376 477 c HA -0.218 4.369 4.570 0.028 0.000 0.275 477 c C 2.705 176.758 174.090 -0.062 0.000 1.200 477 c CA 1.395 57.699 56.329 -0.041 0.000 1.756 477 c CB -0.952 41.523 42.510 -0.058 0.000 2.050 477 c HN 0.356 nan 8.230 nan 0.000 0.460 478 M N 1.355 120.851 119.600 -0.174 0.000 2.110 478 M HA -0.154 4.343 4.480 0.028 0.000 0.257 478 M C 1.816 178.008 176.300 -0.179 0.000 1.071 478 M CA 2.009 57.175 55.300 -0.223 0.000 1.096 478 M CB -2.032 30.331 32.600 -0.394 0.000 1.300 478 M HN 0.499 nan 8.290 nan 0.000 0.411 479 N N 0.677 119.279 118.700 -0.164 0.000 2.192 479 N HA -0.138 4.619 4.740 0.028 0.000 0.188 479 N C 1.769 177.239 175.510 -0.067 0.000 1.013 479 N CA 1.846 54.825 53.050 -0.118 0.000 0.863 479 N CB -0.610 37.825 38.487 -0.086 0.000 0.990 479 N HN 0.545 nan 8.380 nan 0.000 0.430 480 S N -0.425 115.261 115.700 -0.023 0.000 2.402 480 S HA -0.032 4.455 4.470 0.028 0.000 0.229 480 S C 2.060 176.693 174.600 0.056 0.000 1.021 480 S CA 0.791 59.016 58.200 0.041 0.000 0.974 480 S CB -0.566 62.691 63.200 0.096 0.000 0.800 480 S HN 0.048 nan 8.310 nan 0.000 0.484 481 V N 2.310 122.224 119.914 0.001 0.000 2.427 481 V HA -0.115 4.022 4.120 0.028 0.000 0.248 481 V C 2.552 178.558 176.094 -0.146 0.000 1.051 481 V CA 2.034 64.280 62.300 -0.090 0.000 1.048 481 V CB -0.600 31.147 31.823 -0.128 0.000 0.666 481 V HN 0.558 nan 8.190 nan 0.000 0.456 482 K N -0.453 119.806 120.400 -0.236 0.000 2.243 482 K HA -0.019 4.318 4.320 0.028 0.000 0.201 482 K C 1.964 178.551 176.600 -0.022 0.000 1.051 482 K CA 0.618 56.751 56.287 -0.258 0.000 0.970 482 K CB -0.219 32.012 32.500 -0.447 0.000 0.755 482 K HN 0.315 nan 8.250 nan 0.000 0.465 483 N N 0.571 119.261 118.700 -0.018 0.000 1.997 483 N HA -0.163 4.594 4.740 0.028 0.000 0.198 483 N C 1.419 176.957 175.510 0.046 0.000 1.063 483 N CA 2.293 55.357 53.050 0.023 0.000 0.860 483 N CB -0.237 38.261 38.487 0.019 0.000 1.063 483 N HN 0.418 nan 8.380 nan 0.000 0.424 484 G N -3.387 105.441 108.800 0.048 0.000 2.370 484 G HA2 -0.156 3.821 3.960 0.028 0.000 0.174 484 G HA3 -0.156 3.821 3.960 0.028 0.000 0.174 484 G C 0.781 175.722 174.900 0.068 0.000 1.002 484 G CA 0.587 45.722 45.100 0.059 0.000 0.730 484 G HN 0.417 nan 8.290 nan 0.000 0.497 485 T N -0.400 114.197 114.554 0.071 0.000 3.379 485 T HA 0.342 4.709 4.350 0.028 0.000 0.194 485 T C 0.642 175.429 174.700 0.145 0.000 0.806 485 T CA 1.093 63.237 62.100 0.074 0.000 2.531 485 T CB -0.320 68.576 68.868 0.047 0.000 1.786 485 T HN 1.303 nan 8.240 nan 0.000 0.360 486 Y N 2.310 122.603 120.300 -0.010 0.000 2.542 486 Y HA -0.170 4.397 4.550 0.029 0.000 0.040 486 Y C -0.236 175.664 175.900 0.000 0.000 1.731 486 Y CA 0.702 58.803 58.100 0.001 0.000 1.392 486 Y CB -0.326 38.148 38.460 0.024 0.000 2.039 486 Y HN 0.764 nan 8.280 nan 0.000 0.260 487 D N 0.000 120.001 120.400 -0.665 0.000 6.856 487 D HA 0.000 4.657 4.640 0.028 0.000 0.175 487 D CA 0.000 53.724 54.000 -0.461 0.000 0.868 487 D CB 0.000 40.697 40.800 -0.171 0.000 0.688 487 D HN 0.000 nan 8.370 nan 0.000 0.683