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 6nse_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.384 176.600 -0.360 0.000 0.988 69 K CA 0.000 56.059 56.287 -0.380 0.000 0.838 69 K CB 0.000 32.089 32.500 -0.686 0.000 1.064 70 F N 5.456 125.423 119.950 0.027 0.000 2.413 70 F HA 0.332 4.859 4.527 0.001 0.000 0.359 70 F C -1.992 173.894 175.800 0.144 0.000 1.122 70 F CA -2.473 55.565 58.000 0.062 0.000 1.160 70 F CB 0.468 39.502 39.000 0.057 0.000 1.146 70 F HN -0.007 nan 8.300 nan 0.000 0.514 71 P HA -0.012 nan 4.420 nan 0.000 0.263 71 P C -0.291 177.079 177.300 0.117 0.000 1.195 71 P CA -0.249 62.945 63.100 0.155 0.000 0.762 71 P CB 0.667 32.429 31.700 0.103 0.000 0.799 72 R N 3.256 123.766 120.500 0.017 0.000 2.248 72 R HA 0.341 4.682 4.340 0.001 0.000 0.328 72 R C -0.775 175.421 176.300 -0.175 0.000 1.067 72 R CA -0.416 55.511 56.100 -0.287 0.000 0.924 72 R CB 0.295 30.449 30.300 -0.243 0.000 1.013 72 R HN 0.259 nan 8.270 nan 0.000 0.454 73 V N 4.467 124.257 119.914 -0.207 0.000 2.630 73 V HA 0.475 4.595 4.120 0.001 0.000 0.305 73 V C -0.247 175.759 176.094 -0.147 0.000 1.046 73 V CA -0.770 61.476 62.300 -0.090 0.000 0.934 73 V CB 1.666 33.478 31.823 -0.018 0.000 1.003 73 V HN 0.763 nan 8.190 nan 0.000 0.451 74 K N 2.707 123.041 120.400 -0.110 0.000 2.469 74 K HA 0.418 4.739 4.320 0.001 0.000 0.254 74 K C -1.202 175.286 176.600 -0.187 0.000 0.939 74 K CA -0.713 55.425 56.287 -0.248 0.000 0.812 74 K CB 2.071 34.267 32.500 -0.507 0.000 1.301 74 K HN 0.739 nan 8.250 nan 0.000 0.433 75 N N 3.825 122.408 118.700 -0.196 0.000 2.444 75 N HA 0.123 4.864 4.740 0.001 0.000 0.262 75 N C -0.308 175.133 175.510 -0.116 0.000 0.974 75 N CA -0.388 52.651 53.050 -0.018 0.000 0.933 75 N CB 0.482 38.993 38.487 0.040 0.000 1.137 75 N HN 0.683 nan 8.380 nan 0.000 0.498 76 W N 2.074 123.461 121.300 0.145 0.000 2.699 76 W HA 0.094 4.755 4.660 0.002 0.000 0.249 76 W C 2.037 178.609 176.519 0.088 0.000 1.280 76 W CA -0.034 57.386 57.345 0.125 0.000 1.345 76 W CB 0.257 29.819 29.460 0.170 0.000 1.128 76 W HN 0.658 nan 8.180 nan 0.000 0.642 77 E N 0.378 120.719 120.200 0.235 0.000 2.170 77 E HA -0.075 4.275 4.350 0.001 0.000 0.191 77 E C 1.554 178.183 176.600 0.047 0.000 0.981 77 E CA 0.911 57.361 56.400 0.084 0.000 0.830 77 E CB -0.045 29.677 29.700 0.037 0.000 0.775 77 E HN 0.290 nan 8.360 nan 0.000 0.470 78 L N -1.409 119.837 121.223 0.038 0.000 2.817 78 L HA 0.406 4.746 4.340 0.001 0.000 0.248 78 L C 1.382 178.234 176.870 -0.031 0.000 1.133 78 L CA 0.250 55.093 54.840 0.005 0.000 0.935 78 L CB 0.804 42.868 42.059 0.008 0.000 1.266 78 L HN 0.255 nan 8.230 nan 0.000 0.535 79 G N 1.324 110.083 108.800 -0.069 0.000 2.166 79 G HA2 -0.325 3.636 3.960 0.001 0.000 0.260 79 G HA3 -0.325 3.636 3.960 0.001 0.000 0.260 79 G C 0.398 175.204 174.900 -0.156 0.000 0.986 79 G CA 0.559 45.572 45.100 -0.146 0.000 0.683 79 G HN 0.503 nan 8.290 nan 0.000 0.527 80 S N -0.802 114.824 115.700 -0.123 0.000 2.603 80 S HA 0.781 5.251 4.470 0.001 0.000 0.268 80 S C 0.119 174.627 174.600 -0.152 0.000 1.317 80 S CA -0.497 57.640 58.200 -0.105 0.000 1.012 80 S CB 2.182 65.346 63.200 -0.060 0.000 0.926 80 S HN 0.608 nan 8.310 nan 0.000 0.539 81 I N 1.229 121.717 120.570 -0.136 0.000 2.647 81 I HA 0.543 4.713 4.170 0.001 0.000 0.295 81 I C -0.466 175.557 176.117 -0.156 0.000 1.078 81 I CA -0.499 60.689 61.300 -0.186 0.000 1.048 81 I CB 2.743 40.612 38.000 -0.219 0.000 1.239 81 I HN 0.996 nan 8.210 nan 0.000 0.421 82 T N 0.751 115.179 114.554 -0.210 0.000 2.923 82 T HA 0.569 4.920 4.350 0.001 0.000 0.311 82 T C -1.351 173.213 174.700 -0.226 0.000 1.183 82 T CA -0.781 61.242 62.100 -0.128 0.000 1.020 82 T CB 1.347 70.184 68.868 -0.052 0.000 1.165 82 T HN 0.256 nan 8.240 nan 0.000 0.482 83 Y N 1.090 121.382 120.300 -0.014 0.000 2.331 83 Y HA 0.422 4.973 4.550 0.001 0.000 0.338 83 Y C 0.453 176.341 175.900 -0.020 0.000 0.976 83 Y CA -0.812 57.289 58.100 0.002 0.000 1.137 83 Y CB 1.296 39.755 38.460 -0.001 0.000 1.172 83 Y HN 0.704 nan 8.280 nan 0.000 0.478 84 D N 2.447 122.929 120.400 0.137 0.000 2.336 84 D HA 0.031 4.672 4.640 0.001 0.000 0.249 84 D C 0.761 177.092 176.300 0.053 0.000 1.213 84 D CA 0.223 54.274 54.000 0.084 0.000 0.870 84 D CB 1.134 41.998 40.800 0.106 0.000 1.076 84 D HN 0.784 nan 8.370 nan 0.000 0.483 85 T N 1.086 115.588 114.554 -0.085 0.000 3.023 85 T HA -0.037 4.314 4.350 0.001 0.000 0.253 85 T C 1.781 176.418 174.700 -0.105 0.000 1.038 85 T CA -0.284 61.662 62.100 -0.255 0.000 0.962 85 T CB 0.094 68.604 68.868 -0.597 0.000 1.018 85 T HN 0.253 nan 8.240 nan 0.000 0.521 86 L N 2.366 123.554 121.223 -0.058 0.000 2.201 86 L HA 0.093 4.434 4.340 0.001 0.000 0.212 86 L C 2.575 179.355 176.870 -0.150 0.000 1.105 86 L CA 1.115 55.949 54.840 -0.010 0.000 0.775 86 L CB -0.908 41.229 42.059 0.130 0.000 0.913 86 L HN 0.659 nan 8.230 nan 0.000 0.440 87 C N -1.541 117.458 119.300 -0.502 0.000 2.419 87 C HA 0.060 4.520 4.460 0.001 0.000 0.283 87 C C 2.752 177.545 174.990 -0.328 0.000 1.373 87 C CA 0.186 58.615 59.018 -0.982 0.000 1.781 87 C CB -2.200 24.974 27.740 -0.944 0.000 1.886 87 C HN 0.575 nan 8.230 nan 0.000 0.520 88 A N 0.317 123.090 122.820 -0.079 0.000 2.172 88 A HA -0.057 4.264 4.320 0.001 0.000 0.216 88 A C 2.192 179.791 177.584 0.024 0.000 1.154 88 A CA 1.339 53.400 52.037 0.039 0.000 0.701 88 A CB -0.354 18.778 19.000 0.220 0.000 0.789 88 A HN 0.718 nan 8.150 nan 0.000 0.465 89 Q N -0.067 119.740 119.800 0.013 0.000 2.392 89 Q HA 0.117 4.458 4.340 0.001 0.000 0.203 89 Q C 0.757 176.797 176.000 0.066 0.000 0.917 89 Q CA 0.315 56.147 55.803 0.049 0.000 0.939 89 Q CB -0.539 28.238 28.738 0.065 0.000 1.063 89 Q HN 0.479 nan 8.270 nan 0.000 0.516 90 S N 1.140 116.874 115.700 0.058 0.000 2.533 90 S HA 0.044 4.515 4.470 0.001 0.000 0.282 90 S C 0.806 175.444 174.600 0.063 0.000 1.304 90 S CA 0.014 58.273 58.200 0.099 0.000 1.063 90 S CB 0.540 63.816 63.200 0.128 0.000 0.881 90 S HN 0.097 nan 8.310 nan 0.000 0.493 91 Q N 2.041 121.880 119.800 0.066 0.000 2.280 91 Q HA 0.263 4.604 4.340 0.001 0.000 0.244 91 Q C -0.064 175.963 176.000 0.044 0.000 0.847 91 Q CA 0.189 56.021 55.803 0.049 0.000 0.945 91 Q CB 0.386 29.154 28.738 0.049 0.000 1.115 91 Q HN 0.647 nan 8.270 nan 0.000 0.513 92 Q N 1.219 121.050 119.800 0.051 0.000 2.245 92 Q HA 0.234 4.575 4.340 0.001 0.000 0.256 92 Q C -0.909 175.120 176.000 0.049 0.000 0.942 92 Q CA -0.145 55.684 55.803 0.043 0.000 0.896 92 Q CB 1.512 30.272 28.738 0.037 0.000 1.272 92 Q HN 0.085 nan 8.270 nan 0.000 0.442 93 D N 0.695 121.118 120.400 0.039 0.000 2.253 93 D HA 0.466 5.107 4.640 0.001 0.000 0.249 93 D C 0.117 176.443 176.300 0.042 0.000 1.049 93 D CA -0.091 53.933 54.000 0.040 0.000 0.929 93 D CB 1.389 42.206 40.800 0.029 0.000 1.176 93 D HN 0.639 nan 8.370 nan 0.000 0.437 94 G N 0.185 109.014 108.800 0.047 0.000 2.642 94 G HA2 0.398 4.358 3.960 0.001 0.000 0.291 94 G HA3 0.398 4.358 3.960 0.001 0.000 0.291 94 G C -1.591 173.331 174.900 0.038 0.000 1.345 94 G CA -0.732 44.396 45.100 0.046 0.000 1.043 94 G HN 0.307 nan 8.290 nan 0.000 0.528 95 P HA 0.120 nan 4.420 nan 0.000 0.236 95 P C 0.442 177.759 177.300 0.028 0.000 1.177 95 P CA -0.007 63.111 63.100 0.030 0.000 0.773 95 P CB 0.087 31.806 31.700 0.032 0.000 0.878 96 C N 1.109 120.428 119.300 0.033 0.000 2.657 96 C HA 0.503 4.963 4.460 0.001 0.000 0.404 96 C C 1.141 176.144 174.990 0.022 0.000 1.291 96 C CA 0.299 59.334 59.018 0.028 0.000 2.218 96 C CB 0.347 28.108 27.740 0.035 0.000 2.687 96 C HN 0.415 nan 8.230 nan 0.000 0.634 97 T N -1.019 113.545 114.554 0.016 0.000 2.816 97 T HA 0.408 4.759 4.350 0.001 0.000 0.299 97 T C -2.546 172.159 174.700 0.008 0.000 1.230 97 T CA -1.041 61.066 62.100 0.011 0.000 1.007 97 T CB 1.367 70.240 68.868 0.008 0.000 1.289 97 T HN 0.247 nan 8.240 nan 0.000 0.508 98 P HA 0.072 nan 4.420 nan 0.000 0.222 98 P C 1.496 178.797 177.300 0.002 0.000 1.147 98 P CA 0.450 63.551 63.100 0.002 0.000 0.790 98 P CB 0.144 31.843 31.700 -0.000 0.000 0.780 99 R N -0.017 120.485 120.500 0.002 0.000 2.090 99 R HA -0.054 4.286 4.340 0.001 0.000 0.228 99 R C 0.664 176.964 176.300 0.001 0.000 1.110 99 R CA 0.997 57.098 56.100 0.001 0.000 0.973 99 R CB 0.158 30.459 30.300 0.001 0.000 0.869 99 R HN 0.082 nan 8.270 nan 0.000 0.440 100 R N -0.435 120.067 120.500 0.003 0.000 2.692 100 R HA 0.182 4.523 4.340 0.001 0.000 0.269 100 R C -1.822 174.483 176.300 0.008 0.000 1.030 100 R CA -0.749 55.353 56.100 0.003 0.000 0.882 100 R CB 0.263 30.564 30.300 0.003 0.000 1.250 100 R HN 0.086 nan 8.270 nan 0.000 0.465 101 C N 2.721 122.025 119.300 0.007 0.000 2.303 101 C HA 0.614 5.075 4.460 0.001 0.000 0.326 101 C C 0.018 175.019 174.990 0.018 0.000 1.285 101 C CA -0.646 58.380 59.018 0.013 0.000 1.675 101 C CB -0.199 27.546 27.740 0.008 0.000 2.289 101 C HN 0.649 nan 8.230 nan 0.000 0.512 102 L N 6.027 127.267 121.223 0.028 0.000 3.066 102 L HA 0.338 4.678 4.340 0.001 0.000 0.265 102 L C 2.101 179.002 176.870 0.052 0.000 1.232 102 L CA 0.709 55.570 54.840 0.034 0.000 1.031 102 L CB -0.419 41.658 42.059 0.030 0.000 1.379 102 L HN 1.072 nan 8.230 nan 0.000 0.563 103 G N -0.225 108.609 108.800 0.057 0.000 2.501 103 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 103 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 103 G C 1.464 176.437 174.900 0.121 0.000 1.114 103 G CA 1.164 46.313 45.100 0.081 0.000 0.757 103 G HN 0.513 nan 8.290 nan 0.000 0.559 104 S N -0.286 115.481 115.700 0.111 0.000 2.593 104 S HA 0.321 4.791 4.470 0.001 0.000 0.217 104 S C 0.788 175.481 174.600 0.154 0.000 0.966 104 S CA -0.503 57.785 58.200 0.147 0.000 0.914 104 S CB -0.099 63.158 63.200 0.096 0.000 0.776 104 S HN 0.059 nan 8.310 nan 0.000 0.523 105 L N 2.463 123.760 121.223 0.123 0.000 2.319 105 L HA 0.267 4.607 4.340 0.001 0.000 0.280 105 L C 1.511 178.465 176.870 0.141 0.000 1.099 105 L CA -0.223 54.679 54.840 0.102 0.000 0.828 105 L CB 1.200 43.294 42.059 0.059 0.000 1.150 105 L HN 0.088 nan 8.230 nan 0.000 0.442 106 V N 4.883 124.893 119.914 0.160 0.000 2.237 106 V HA -0.204 3.917 4.120 0.001 0.000 0.245 106 V C 0.633 176.735 176.094 0.015 0.000 1.046 106 V CA 1.638 64.060 62.300 0.204 0.000 1.007 106 V CB -0.371 31.580 31.823 0.213 0.000 0.638 106 V HN 0.721 nan 8.190 nan 0.000 0.445 107 L N -1.783 119.392 121.223 -0.079 0.000 2.573 107 L HA 0.661 5.001 4.340 0.001 0.000 0.260 107 L C -2.997 173.828 176.870 -0.075 0.000 0.997 107 L CA -1.632 53.106 54.840 -0.170 0.000 0.890 107 L CB 0.273 42.008 42.059 -0.540 0.000 1.179 107 L HN -0.084 nan 8.230 nan 0.000 0.439 108 P HA 0.421 nan 4.420 nan 0.000 0.274 108 P C 0.246 177.545 177.300 -0.003 0.000 1.231 108 P CA -0.617 62.482 63.100 -0.002 0.000 0.790 108 P CB 0.956 32.666 31.700 0.018 0.000 0.951 109 R N 0.828 121.322 120.500 -0.009 0.000 2.328 109 R HA -0.049 4.291 4.340 0.001 0.000 0.207 109 R C 1.562 177.864 176.300 0.004 0.000 1.056 109 R CA 1.038 57.132 56.100 -0.010 0.000 1.016 109 R CB -0.475 29.815 30.300 -0.016 0.000 0.872 109 R HN 0.350 nan 8.270 nan 0.000 0.471 110 K N 0.480 120.887 120.400 0.013 0.000 1.979 110 K HA -0.050 4.270 4.320 0.001 0.000 0.213 110 K C 1.867 178.484 176.600 0.028 0.000 1.036 110 K CA 0.910 57.208 56.287 0.019 0.000 0.954 110 K CB -1.018 31.494 32.500 0.021 0.000 0.743 110 K HN 0.128 nan 8.250 nan 0.000 0.443 111 L N 2.301 123.549 121.223 0.041 0.000 2.189 111 L HA -0.152 4.189 4.340 0.001 0.000 0.214 111 L C 1.091 177.999 176.870 0.062 0.000 1.097 111 L CA 1.388 56.259 54.840 0.051 0.000 0.764 111 L CB -0.649 41.450 42.059 0.066 0.000 0.900 111 L HN 0.261 nan 8.230 nan 0.000 0.436 112 Q N 0.775 120.620 119.800 0.076 0.000 2.247 112 Q HA 0.011 4.351 4.340 0.001 0.000 0.288 112 Q C -0.432 175.593 176.000 0.042 0.000 1.079 112 Q CA 0.476 56.328 55.803 0.083 0.000 0.932 112 Q CB 0.306 29.080 28.738 0.060 0.000 1.133 112 Q HN 0.513 nan 8.270 nan 0.000 0.377 113 T N 3.585 118.164 114.554 0.041 0.000 3.185 113 T HA 0.316 4.667 4.350 0.001 0.000 0.287 113 T C 0.047 174.750 174.700 0.005 0.000 1.051 113 T CA -0.552 61.558 62.100 0.017 0.000 1.051 113 T CB 0.088 68.962 68.868 0.011 0.000 1.034 113 T HN 0.456 nan 8.240 nan 0.000 0.685 114 R N 2.313 122.810 120.500 -0.005 0.000 2.583 114 R HA 0.410 4.751 4.340 0.001 0.000 0.268 114 R C -2.018 174.269 176.300 -0.021 0.000 1.101 114 R CA -1.684 54.404 56.100 -0.021 0.000 1.180 114 R CB -0.212 30.072 30.300 -0.026 0.000 1.128 114 R HN 0.361 nan 8.270 nan 0.000 0.568 115 P HA -0.027 nan 4.420 nan 0.000 0.272 115 P C -0.749 176.540 177.300 -0.018 0.000 1.248 115 P CA 0.005 63.091 63.100 -0.022 0.000 0.799 115 P CB 0.513 32.199 31.700 -0.024 0.000 0.997 116 S N -1.322 114.369 115.700 -0.016 0.000 2.599 116 S HA 0.605 5.076 4.470 0.001 0.000 0.287 116 S C -2.259 172.335 174.600 -0.009 0.000 1.105 116 S CA -0.961 57.232 58.200 -0.013 0.000 0.899 116 S CB 0.772 63.964 63.200 -0.014 0.000 1.100 116 S HN 0.201 nan 8.310 nan 0.000 0.482 117 P HA 0.416 nan 4.420 nan 0.000 0.253 117 P C 0.455 177.753 177.300 -0.003 0.000 1.260 117 P CA 0.322 63.420 63.100 -0.004 0.000 0.800 117 P CB -0.090 31.608 31.700 -0.003 0.000 1.162 118 G N -0.493 108.305 108.800 -0.004 0.000 2.367 118 G HA2 0.223 4.184 3.960 0.001 0.000 0.272 118 G HA3 0.223 4.184 3.960 0.001 0.000 0.272 118 G C -3.289 171.608 174.900 -0.005 0.000 1.271 118 G CA -0.794 44.304 45.100 -0.003 0.000 0.893 118 G HN -0.282 nan 8.290 nan 0.000 0.485 119 P HA 0.442 nan 4.420 nan 0.000 0.281 119 P C -2.316 174.984 177.300 -0.001 0.000 1.252 119 P CA -0.784 62.314 63.100 -0.003 0.000 0.778 119 P CB 0.474 32.176 31.700 0.004 0.000 0.895 120 P HA 0.178 nan 4.420 nan 0.000 0.269 120 P C -2.329 174.977 177.300 0.009 0.000 1.209 120 P CA -0.899 62.202 63.100 0.001 0.000 0.776 120 P CB -0.908 30.790 31.700 -0.003 0.000 0.876 121 P HA -0.016 nan 4.420 nan 0.000 0.260 121 P C 0.593 177.904 177.300 0.018 0.000 1.185 121 P CA 0.357 63.465 63.100 0.013 0.000 0.763 121 P CB 0.309 32.016 31.700 0.011 0.000 0.776 122 A N 4.608 127.440 122.820 0.020 0.000 1.948 122 A HA -0.258 4.062 4.320 0.001 0.000 0.220 122 A C 2.042 179.638 177.584 0.020 0.000 1.177 122 A CA 1.508 53.560 52.037 0.024 0.000 0.636 122 A CB -0.681 18.332 19.000 0.021 0.000 0.815 122 A HN 0.491 nan 8.150 nan 0.000 0.449 123 E N -0.610 119.599 120.200 0.015 0.000 2.058 123 E HA -0.252 4.099 4.350 0.001 0.000 0.194 123 E C 2.194 178.804 176.600 0.017 0.000 0.997 123 E CA 1.597 58.005 56.400 0.013 0.000 0.801 123 E CB -0.433 29.274 29.700 0.011 0.000 0.746 123 E HN 0.863 nan 8.360 nan 0.000 0.450 124 Q N 0.215 120.027 119.800 0.020 0.000 2.016 124 Q HA -0.157 4.184 4.340 0.001 0.000 0.200 124 Q C 2.371 178.392 176.000 0.034 0.000 0.978 124 Q CA 1.086 56.904 55.803 0.024 0.000 0.833 124 Q CB -0.134 28.617 28.738 0.021 0.000 0.895 124 Q HN 0.167 nan 8.270 nan 0.000 0.427 125 L N 0.824 122.070 121.223 0.039 0.000 2.012 125 L HA -0.185 4.156 4.340 0.001 0.000 0.210 125 L C 2.174 179.079 176.870 0.058 0.000 1.073 125 L CA 1.606 56.484 54.840 0.063 0.000 0.748 125 L CB -0.944 41.161 42.059 0.077 0.000 0.891 125 L HN 0.386 nan 8.230 nan 0.000 0.431 126 L N -0.406 120.833 121.223 0.026 0.000 2.079 126 L HA -0.189 4.151 4.340 0.001 0.000 0.210 126 L C 2.704 179.574 176.870 -0.000 0.000 1.081 126 L CA 2.173 57.006 54.840 -0.011 0.000 0.752 126 L CB -0.861 41.190 42.059 -0.013 0.000 0.896 126 L HN 0.631 nan 8.230 nan 0.000 0.433 127 S N -1.845 113.868 115.700 0.022 0.000 2.387 127 S HA -0.192 4.279 4.470 0.001 0.000 0.226 127 S C 1.838 176.474 174.600 0.061 0.000 1.026 127 S CA 0.925 59.145 58.200 0.034 0.000 0.972 127 S CB -0.565 62.654 63.200 0.032 0.000 0.814 127 S HN 0.643 nan 8.310 nan 0.000 0.477 128 Q N 1.062 120.906 119.800 0.073 0.000 2.172 128 Q HA 0.196 4.537 4.340 0.001 0.000 0.200 128 Q C 2.503 178.599 176.000 0.160 0.000 0.964 128 Q CA 1.094 56.961 55.803 0.106 0.000 0.855 128 Q CB -0.421 28.371 28.738 0.090 0.000 0.918 128 Q HN 0.746 nan 8.270 nan 0.000 0.444 129 A N 1.445 124.338 122.820 0.122 0.000 1.854 129 A HA -0.150 4.171 4.320 0.001 0.000 0.214 129 A C 2.004 179.651 177.584 0.104 0.000 1.192 129 A CA 1.049 53.147 52.037 0.102 0.000 0.611 129 A CB -0.328 18.555 19.000 -0.195 0.000 0.832 129 A HN 0.167 nan 8.150 nan 0.000 0.442 130 R N -0.372 120.153 120.500 0.041 0.000 2.105 130 R HA -0.176 4.165 4.340 0.001 0.000 0.239 130 R C 1.989 178.360 176.300 0.119 0.000 1.135 130 R CA 1.665 57.797 56.100 0.055 0.000 0.967 130 R CB -0.486 29.825 30.300 0.019 0.000 0.861 130 R HN 0.755 nan 8.270 nan 0.000 0.442 131 D N 0.233 120.714 120.400 0.136 0.000 2.084 131 D HA -0.218 4.422 4.640 0.001 0.000 0.194 131 D C 1.689 178.117 176.300 0.214 0.000 0.990 131 D CA 1.039 55.133 54.000 0.156 0.000 0.826 131 D CB -0.117 40.770 40.800 0.146 0.000 0.971 131 D HN 0.126 nan 8.370 nan 0.000 0.453 132 F N 0.960 120.996 119.950 0.142 0.000 2.095 132 F HA -0.135 4.393 4.527 0.001 0.000 0.298 132 F C 1.987 177.931 175.800 0.240 0.000 1.104 132 F CA 1.142 59.259 58.000 0.194 0.000 1.232 132 F CB -0.356 38.760 39.000 0.193 0.000 0.987 132 F HN 0.020 nan 8.300 nan 0.000 0.475 133 I N 0.934 121.539 120.570 0.060 0.000 2.208 133 I HA -0.332 3.838 4.170 0.001 0.000 0.245 133 I C 2.096 178.292 176.117 0.131 0.000 1.097 133 I CA 1.297 62.642 61.300 0.073 0.000 1.363 133 I CB -1.682 36.454 38.000 0.227 0.000 1.051 133 I HN 0.252 nan 8.210 nan 0.000 0.413 134 N N 0.827 119.623 118.700 0.159 0.000 2.120 134 N HA -0.195 4.546 4.740 0.001 0.000 0.188 134 N C 1.852 177.344 175.510 -0.030 0.000 1.024 134 N CA 1.119 54.254 53.050 0.142 0.000 0.852 134 N CB -0.278 38.305 38.487 0.159 0.000 1.003 134 N HN 0.532 nan 8.380 nan 0.000 0.424 135 Q N -0.485 119.297 119.800 -0.031 0.000 2.050 135 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 135 Q C 1.849 177.667 176.000 -0.304 0.000 0.980 135 Q CA 1.314 57.100 55.803 -0.028 0.000 0.840 135 Q CB -0.281 28.572 28.738 0.192 0.000 0.898 135 Q HN 0.453 nan 8.270 nan 0.000 0.424 136 Y N 0.003 119.907 120.300 -0.660 0.000 2.128 136 Y HA -0.298 4.253 4.550 0.001 0.000 0.284 136 Y C 1.696 177.075 175.900 -0.868 0.000 1.154 136 Y CA 1.644 59.095 58.100 -1.081 0.000 1.149 136 Y CB -0.389 37.505 38.460 -0.944 0.000 0.976 136 Y HN 0.093 nan 8.280 nan 0.000 0.505 137 Y N -0.901 119.049 120.300 -0.582 0.000 2.421 137 Y HA -0.152 4.399 4.550 0.001 0.000 0.292 137 Y C 2.954 178.516 175.900 -0.564 0.000 1.136 137 Y CA 1.504 59.217 58.100 -0.645 0.000 1.255 137 Y CB -0.553 37.416 38.460 -0.819 0.000 0.991 137 Y HN 0.203 nan 8.280 nan 0.000 0.552 138 S N -0.856 114.617 115.700 -0.379 0.000 2.395 138 S HA -0.155 4.315 4.470 0.001 0.000 0.225 138 S C 2.383 176.801 174.600 -0.303 0.000 1.027 138 S CA 1.112 59.159 58.200 -0.255 0.000 0.965 138 S CB -0.547 62.561 63.200 -0.153 0.000 0.812 138 S HN 0.577 nan 8.310 nan 0.000 0.482 139 S N 2.366 117.771 115.700 -0.492 0.000 2.368 139 S HA -0.081 4.390 4.470 0.001 0.000 0.225 139 S C 1.748 176.083 174.600 -0.443 0.000 1.030 139 S CA 1.270 59.177 58.200 -0.488 0.000 0.999 139 S CB -0.974 61.683 63.200 -0.906 0.000 0.844 139 S HN 0.768 nan 8.310 nan 0.000 0.459 140 I N -2.991 117.220 120.570 -0.598 0.000 3.812 140 I HA 0.353 4.524 4.170 0.001 0.000 0.320 140 I C 0.273 176.234 176.117 -0.261 0.000 1.276 140 I CA -0.215 60.823 61.300 -0.437 0.000 1.164 140 I CB -0.144 37.516 38.000 -0.567 0.000 1.009 140 I HN -0.045 nan 8.210 nan 0.000 0.431 141 K N 0.841 121.102 120.400 -0.231 0.000 3.472 141 K HA -0.164 4.157 4.320 0.001 0.000 0.315 141 K C 0.548 177.091 176.600 -0.094 0.000 1.320 141 K CA 0.809 57.014 56.287 -0.138 0.000 0.962 141 K CB -1.651 30.790 32.500 -0.098 0.000 1.251 141 K HN 0.467 nan 8.250 nan 0.000 0.443 142 R N 0.738 121.186 120.500 -0.086 0.000 2.547 142 R HA 0.098 4.438 4.340 0.001 0.000 0.258 142 R C 0.286 176.590 176.300 0.007 0.000 1.115 142 R CA -0.034 56.070 56.100 0.007 0.000 1.152 142 R CB 0.044 30.411 30.300 0.112 0.000 1.221 142 R HN 0.152 nan 8.270 nan 0.000 0.539 143 S N 0.254 115.915 115.700 -0.065 0.000 2.507 143 S HA 0.256 4.726 4.470 0.001 0.000 0.299 143 S C 1.245 175.902 174.600 0.095 0.000 1.214 143 S CA 1.031 59.181 58.200 -0.083 0.000 1.137 143 S CB -0.178 62.972 63.200 -0.084 0.000 1.009 143 S HN 0.728 nan 8.310 nan 0.000 0.512 144 G N 3.217 112.205 108.800 0.314 0.000 2.316 144 G HA2 -0.239 3.722 3.960 0.001 0.000 0.203 144 G HA3 -0.239 3.722 3.960 0.001 0.000 0.203 144 G C 0.297 175.224 174.900 0.045 0.000 0.999 144 G CA 0.026 45.218 45.100 0.152 0.000 0.649 144 G HN 1.424 nan 8.290 nan 0.000 0.489 145 S N 0.480 116.203 115.700 0.038 0.000 2.572 145 S HA 0.309 4.780 4.470 0.001 0.000 0.262 145 S C 1.300 175.870 174.600 -0.049 0.000 1.375 145 S CA 0.849 59.047 58.200 -0.004 0.000 0.996 145 S CB 0.997 64.206 63.200 0.015 0.000 0.892 145 S HN 0.210 nan 8.310 nan 0.000 0.562 146 Q N 0.694 120.468 119.800 -0.042 0.000 2.170 146 Q HA -0.051 4.290 4.340 0.001 0.000 0.203 146 Q C 2.545 178.496 176.000 -0.082 0.000 0.976 146 Q CA 1.809 57.577 55.803 -0.058 0.000 0.858 146 Q CB -1.184 27.535 28.738 -0.030 0.000 0.907 146 Q HN 0.921 nan 8.270 nan 0.000 0.433 147 A N -0.398 122.384 122.820 -0.063 0.000 1.972 147 A HA -0.208 4.113 4.320 0.001 0.000 0.219 147 A C 1.938 179.304 177.584 -0.363 0.000 1.169 147 A CA 1.626 53.629 52.037 -0.057 0.000 0.635 147 A CB -0.749 18.322 19.000 0.119 0.000 0.810 147 A HN 0.561 nan 8.150 nan 0.000 0.446 148 H N -1.223 117.395 119.070 -0.753 0.000 2.307 148 H HA -0.070 4.487 4.556 0.001 0.000 0.303 148 H C 1.929 176.940 175.328 -0.529 0.000 1.073 148 H CA 1.102 56.435 56.048 -1.191 0.000 1.338 148 H CB 0.113 29.413 29.762 -0.770 0.000 1.389 148 H HN 0.334 nan 8.280 nan 0.000 0.503 149 E N 0.801 120.778 120.200 -0.372 0.000 2.204 149 E HA -0.139 4.212 4.350 0.001 0.000 0.195 149 E C 1.889 178.377 176.600 -0.187 0.000 0.990 149 E CA 0.931 57.145 56.400 -0.310 0.000 0.821 149 E CB 0.004 29.575 29.700 -0.216 0.000 0.750 149 E HN 0.667 nan 8.360 nan 0.000 0.477 150 E N -0.249 119.868 120.200 -0.138 0.000 2.371 150 E HA -0.087 4.263 4.350 0.001 0.000 0.194 150 E C 1.954 178.535 176.600 -0.032 0.000 1.012 150 E CA 0.184 56.544 56.400 -0.067 0.000 0.860 150 E CB 0.167 29.846 29.700 -0.034 0.000 0.811 150 E HN -0.098 nan 8.360 nan 0.000 0.502 151 R N 0.808 121.286 120.500 -0.036 0.000 2.127 151 R HA 0.027 4.368 4.340 0.001 0.000 0.217 151 R C 1.836 178.153 176.300 0.027 0.000 1.074 151 R CA 0.784 56.921 56.100 0.062 0.000 0.991 151 R CB -0.171 30.256 30.300 0.212 0.000 0.895 151 R HN 0.123 nan 8.270 nan 0.000 0.450 152 L N -0.167 121.030 121.223 -0.043 0.000 2.109 152 L HA -0.087 4.254 4.340 0.001 0.000 0.207 152 L C 2.313 179.147 176.870 -0.061 0.000 1.086 152 L CA 1.188 55.990 54.840 -0.065 0.000 0.760 152 L CB -0.392 41.588 42.059 -0.131 0.000 0.910 152 L HN 0.195 nan 8.230 nan 0.000 0.437 153 Q N 0.307 120.073 119.800 -0.057 0.000 2.050 153 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 153 Q C 2.123 178.114 176.000 -0.015 0.000 0.980 153 Q CA 1.721 57.502 55.803 -0.038 0.000 0.840 153 Q CB -0.027 28.691 28.738 -0.034 0.000 0.898 153 Q HN 0.407 nan 8.270 nan 0.000 0.424 154 E N -0.890 119.313 120.200 0.004 0.000 2.085 154 E HA -0.184 4.167 4.350 0.001 0.000 0.194 154 E C 1.951 178.570 176.600 0.033 0.000 0.994 154 E CA 1.532 57.953 56.400 0.034 0.000 0.801 154 E CB -0.027 29.712 29.700 0.065 0.000 0.743 154 E HN 0.183 nan 8.360 nan 0.000 0.453 155 V N 1.325 121.229 119.914 -0.017 0.000 2.358 155 V HA -0.230 3.890 4.120 0.001 0.000 0.246 155 V C 2.007 178.039 176.094 -0.104 0.000 1.047 155 V CA 1.826 64.050 62.300 -0.127 0.000 1.035 155 V CB -0.466 31.169 31.823 -0.314 0.000 0.658 155 V HN 0.207 nan 8.190 nan 0.000 0.452 156 E N 0.543 120.699 120.200 -0.072 0.000 2.031 156 E HA -0.186 4.165 4.350 0.001 0.000 0.193 156 E C 2.365 178.959 176.600 -0.010 0.000 0.994 156 E CA 1.395 57.768 56.400 -0.045 0.000 0.800 156 E CB -0.438 29.238 29.700 -0.040 0.000 0.752 156 E HN 0.565 nan 8.360 nan 0.000 0.447 157 A N 1.219 124.040 122.820 0.002 0.000 1.883 157 A HA -0.301 4.019 4.320 0.001 0.000 0.217 157 A C 2.076 179.685 177.584 0.041 0.000 1.186 157 A CA 1.917 53.965 52.037 0.020 0.000 0.624 157 A CB -0.525 18.488 19.000 0.022 0.000 0.822 157 A HN 0.258 nan 8.150 nan 0.000 0.444 158 E N -0.642 119.596 120.200 0.063 0.000 2.107 158 E HA -0.079 4.272 4.350 0.001 0.000 0.191 158 E C 1.869 178.535 176.600 0.111 0.000 0.982 158 E CA 1.036 57.501 56.400 0.107 0.000 0.809 158 E CB -0.032 29.773 29.700 0.175 0.000 0.756 158 E HN 0.346 nan 8.360 nan 0.000 0.459 159 V N 0.927 120.892 119.914 0.085 0.000 2.323 159 V HA -0.207 3.914 4.120 0.001 0.000 0.244 159 V C 2.363 178.489 176.094 0.054 0.000 1.041 159 V CA 1.687 64.036 62.300 0.081 0.000 1.025 159 V CB -0.588 31.260 31.823 0.043 0.000 0.656 159 V HN 0.397 nan 8.190 nan 0.000 0.451 160 A N -0.657 122.185 122.820 0.036 0.000 2.024 160 A HA -0.190 4.131 4.320 0.001 0.000 0.220 160 A C 2.407 180.010 177.584 0.032 0.000 1.164 160 A CA 2.406 54.459 52.037 0.027 0.000 0.643 160 A CB -0.377 18.633 19.000 0.017 0.000 0.806 160 A HN 0.533 nan 8.150 nan 0.000 0.451 161 S N -1.664 114.060 115.700 0.041 0.000 2.506 161 S HA -0.021 4.450 4.470 0.001 0.000 0.230 161 S C 1.973 176.602 174.600 0.048 0.000 1.066 161 S CA 1.176 59.401 58.200 0.041 0.000 0.940 161 S CB 0.005 63.230 63.200 0.041 0.000 0.818 161 S HN 0.855 nan 8.310 nan 0.000 0.518 162 T N -1.636 112.956 114.554 0.064 0.000 3.040 162 T HA 0.418 4.768 4.350 0.001 0.000 0.250 162 T C 1.499 176.236 174.700 0.061 0.000 1.058 162 T CA 0.905 63.046 62.100 0.069 0.000 0.988 162 T CB 0.332 69.259 68.868 0.098 0.000 0.993 162 T HN 0.532 nan 8.240 nan 0.000 0.519 163 G N 0.184 109.020 108.800 0.059 0.000 2.184 163 G HA2 -0.206 3.754 3.960 0.001 0.000 0.264 163 G HA3 -0.206 3.754 3.960 0.001 0.000 0.264 163 G C 0.202 175.137 174.900 0.059 0.000 0.975 163 G CA 0.632 45.761 45.100 0.049 0.000 0.642 163 G HN 1.027 nan 8.290 nan 0.000 0.536 164 T N -1.701 112.905 114.554 0.085 0.000 2.648 164 T HA 0.691 5.042 4.350 0.001 0.000 0.304 164 T C -1.311 173.511 174.700 0.204 0.000 1.312 164 T CA 0.496 62.653 62.100 0.094 0.000 1.023 164 T CB 1.315 70.153 68.868 -0.049 0.000 1.612 164 T HN 1.633 nan 8.240 nan 0.000 0.487 165 Y N -0.872 119.388 120.300 -0.067 0.000 2.764 165 Y HA 0.782 5.332 4.550 0.001 0.000 0.331 165 Y C -1.225 174.596 175.900 -0.132 0.000 1.280 165 Y CA -1.128 56.982 58.100 0.017 0.000 1.065 165 Y CB 0.775 39.267 38.460 0.053 0.000 1.319 165 Y HN 0.746 nan 8.280 nan 0.000 0.453 166 H N 0.618 119.653 119.070 -0.057 0.000 2.834 166 H HA 0.641 5.198 4.556 0.001 0.000 0.369 166 H C -1.317 174.015 175.328 0.007 0.000 1.174 166 H CA -0.922 55.038 56.048 -0.147 0.000 1.165 166 H CB 2.760 32.510 29.762 -0.020 0.000 1.820 166 H HN 0.574 nan 8.280 nan 0.000 0.558 167 L N 1.727 123.017 121.223 0.111 0.000 2.331 167 L HA 0.378 4.719 4.340 0.001 0.000 0.275 167 L C 0.272 177.217 176.870 0.125 0.000 1.022 167 L CA -1.050 53.889 54.840 0.165 0.000 0.812 167 L CB 1.153 43.290 42.059 0.130 0.000 1.257 167 L HN 0.306 nan 8.230 nan 0.000 0.435 168 R N 1.252 121.806 120.500 0.090 0.000 2.490 168 R HA 0.057 4.398 4.340 0.001 0.000 0.278 168 R C 0.832 177.131 176.300 -0.001 0.000 1.069 168 R CA -0.244 55.877 56.100 0.034 0.000 1.080 168 R CB 0.612 30.911 30.300 -0.001 0.000 1.030 168 R HN 0.660 nan 8.270 nan 0.000 0.491 169 E N 1.414 121.614 120.200 0.000 0.000 2.114 169 E HA -0.273 4.077 4.350 0.001 0.000 0.199 169 E C 1.294 177.884 176.600 -0.016 0.000 1.008 169 E CA 2.343 58.735 56.400 -0.013 0.000 0.810 169 E CB 0.195 29.892 29.700 -0.004 0.000 0.739 169 E HN 0.679 nan 8.360 nan 0.000 0.456 170 S N 0.111 115.797 115.700 -0.023 0.000 2.368 170 S HA -0.212 4.259 4.470 0.001 0.000 0.225 170 S C 1.811 176.390 174.600 -0.035 0.000 1.030 170 S CA 1.361 59.562 58.200 0.002 0.000 0.999 170 S CB -0.395 62.821 63.200 0.027 0.000 0.844 170 S HN 0.377 nan 8.310 nan 0.000 0.459 171 E N 1.128 121.174 120.200 -0.257 0.000 2.077 171 E HA -0.056 4.295 4.350 0.001 0.000 0.193 171 E C 2.090 178.818 176.600 0.213 0.000 0.989 171 E CA 1.135 57.394 56.400 -0.234 0.000 0.800 171 E CB -0.375 29.187 29.700 -0.231 0.000 0.746 171 E HN 0.475 nan 8.360 nan 0.000 0.452 172 L N 0.783 122.046 121.223 0.067 0.000 2.083 172 L HA -0.149 4.192 4.340 0.001 0.000 0.209 172 L C 2.157 179.017 176.870 -0.018 0.000 1.083 172 L CA 1.183 56.001 54.840 -0.037 0.000 0.752 172 L CB -0.025 41.955 42.059 -0.131 0.000 0.899 172 L HN -0.058 nan 8.230 nan 0.000 0.433 173 V N -0.701 119.240 119.914 0.045 0.000 2.515 173 V HA -0.254 3.867 4.120 0.001 0.000 0.250 173 V C 2.215 178.417 176.094 0.180 0.000 1.058 173 V CA 1.842 64.182 62.300 0.066 0.000 1.064 173 V CB -0.817 31.043 31.823 0.062 0.000 0.675 173 V HN 0.566 nan 8.190 nan 0.000 0.461 174 F N 2.019 122.064 119.950 0.159 0.000 2.206 174 F HA 0.104 4.631 4.527 0.001 0.000 0.298 174 F C 2.122 178.084 175.800 0.270 0.000 1.090 174 F CA 1.346 59.496 58.000 0.250 0.000 1.323 174 F CB -0.760 38.465 39.000 0.375 0.000 1.028 174 F HN 0.117 nan 8.300 nan 0.000 0.492 175 G N 0.090 109.002 108.800 0.188 0.000 2.421 175 G HA2 -0.226 3.735 3.960 0.001 0.000 0.216 175 G HA3 -0.226 3.735 3.960 0.001 0.000 0.216 175 G C 1.863 176.635 174.900 -0.213 0.000 1.171 175 G CA 0.866 45.934 45.100 -0.055 0.000 0.775 175 G HN 0.586 nan 8.290 nan 0.000 0.543 176 A N 0.798 123.520 122.820 -0.163 0.000 1.908 176 A HA -0.045 4.276 4.320 0.001 0.000 0.218 176 A C 2.308 179.904 177.584 0.019 0.000 1.181 176 A CA 2.079 54.036 52.037 -0.134 0.000 0.627 176 A CB -0.370 18.576 19.000 -0.090 0.000 0.818 176 A HN 0.393 nan 8.150 nan 0.000 0.445 177 K N -1.236 119.209 120.400 0.076 0.000 2.097 177 K HA -0.144 4.176 4.320 0.001 0.000 0.205 177 K C 2.306 178.984 176.600 0.130 0.000 1.050 177 K CA 1.454 57.898 56.287 0.262 0.000 0.938 177 K CB -0.079 32.622 32.500 0.335 0.000 0.718 177 K HN 0.447 nan 8.250 nan 0.000 0.442 178 Q N 0.502 120.196 119.800 -0.177 0.000 2.230 178 Q HA 0.001 4.342 4.340 0.001 0.000 0.202 178 Q C 1.756 177.611 176.000 -0.242 0.000 0.963 178 Q CA 1.341 56.927 55.803 -0.361 0.000 0.866 178 Q CB -0.038 28.359 28.738 -0.568 0.000 0.931 178 Q HN 0.315 nan 8.270 nan 0.000 0.452 179 A N -0.567 122.139 122.820 -0.191 0.000 1.873 179 A HA -0.172 4.148 4.320 0.001 0.000 0.215 179 A C 1.806 179.457 177.584 0.113 0.000 1.186 179 A CA 1.369 53.263 52.037 -0.238 0.000 0.616 179 A CB -1.181 17.398 19.000 -0.701 0.000 0.823 179 A HN 0.686 nan 8.150 nan 0.000 0.442 180 W N 1.096 122.441 121.300 0.075 0.000 2.355 180 W HA -0.148 4.513 4.660 0.001 0.000 0.309 180 W C 2.377 178.840 176.519 -0.094 0.000 1.206 180 W CA 1.638 59.017 57.345 0.055 0.000 1.284 180 W CB -0.726 28.749 29.460 0.024 0.000 1.145 180 W HN 0.380 nan 8.180 nan 0.000 0.502 181 R N 0.322 120.733 120.500 -0.147 0.000 2.105 181 R HA -0.195 4.146 4.340 0.001 0.000 0.239 181 R C 1.598 177.715 176.300 -0.306 0.000 1.135 181 R CA 1.898 57.670 56.100 -0.548 0.000 0.967 181 R CB -0.633 29.007 30.300 -1.100 0.000 0.861 181 R HN 0.109 nan 8.270 nan 0.000 0.442 182 N N 0.368 118.948 118.700 -0.200 0.000 2.467 182 N HA 0.008 4.749 4.740 0.001 0.000 0.184 182 N C -0.321 175.135 175.510 -0.090 0.000 1.106 182 N CA 0.653 53.613 53.050 -0.151 0.000 0.892 182 N CB 0.363 38.767 38.487 -0.140 0.000 0.969 182 N HN 0.181 nan 8.380 nan 0.000 0.454 183 A N 2.047 124.864 122.820 -0.005 0.000 2.473 183 A HA 0.231 4.552 4.320 0.001 0.000 0.282 183 A C -1.259 176.309 177.584 -0.028 0.000 1.163 183 A CA -0.927 51.114 52.037 0.007 0.000 0.827 183 A CB 0.297 19.342 19.000 0.076 0.000 1.098 183 A HN 0.000 nan 8.150 nan 0.000 0.515 184 P HA -0.118 nan 4.420 nan 0.000 0.220 184 P C 1.036 178.296 177.300 -0.066 0.000 1.148 184 P CA 1.131 64.182 63.100 -0.082 0.000 0.803 184 P CB 0.165 31.787 31.700 -0.131 0.000 0.782 185 R N -2.247 118.179 120.500 -0.124 0.000 2.317 185 R HA 0.168 4.509 4.340 0.001 0.000 0.208 185 R C 0.129 176.438 176.300 0.015 0.000 0.914 185 R CA -0.144 55.898 56.100 -0.096 0.000 1.060 185 R CB -0.418 29.641 30.300 -0.401 0.000 1.015 185 R HN 0.171 nan 8.270 nan 0.000 0.498 186 C N 0.684 119.988 119.300 0.006 0.000 2.265 186 C HA 0.220 4.681 4.460 0.001 0.000 0.332 186 C C 1.916 176.891 174.990 -0.025 0.000 1.248 186 C CA -0.646 58.404 59.018 0.054 0.000 1.727 186 C CB 0.629 28.472 27.740 0.172 0.000 2.348 186 C HN 0.295 nan 8.230 nan 0.000 0.519 187 V N 5.811 125.667 119.914 -0.097 0.000 2.951 187 V HA 0.189 4.310 4.120 0.001 0.000 0.255 187 V C 1.795 177.936 176.094 0.079 0.000 1.088 187 V CA 2.173 64.323 62.300 -0.249 0.000 1.109 187 V CB -0.089 31.596 31.823 -0.230 0.000 0.724 187 V HN 1.052 nan 8.190 nan 0.000 0.471 188 G N -0.537 108.327 108.800 0.107 0.000 3.518 188 G HA2 0.067 4.028 3.960 0.001 0.000 0.273 188 G HA3 0.067 4.028 3.960 0.001 0.000 0.273 188 G C 1.099 176.011 174.900 0.021 0.000 1.199 188 G CA -0.400 44.764 45.100 0.106 0.000 0.899 188 G HN 0.433 nan 8.290 nan 0.000 0.533 189 R N -0.170 120.281 120.500 -0.080 0.000 2.357 189 R HA 0.160 4.501 4.340 0.001 0.000 0.202 189 R C 1.822 177.664 176.300 -0.763 0.000 1.047 189 R CA 0.014 55.776 56.100 -0.564 0.000 1.034 189 R CB -0.079 29.944 30.300 -0.462 0.000 0.875 189 R HN 0.458 nan 8.270 nan 0.000 0.473 190 I N 0.658 120.959 120.570 -0.449 0.000 2.546 190 I HA -0.199 3.972 4.170 0.001 0.000 0.255 190 I C 1.221 177.186 176.117 -0.252 0.000 1.163 190 I CA 1.132 62.269 61.300 -0.271 0.000 1.457 190 I CB 0.221 38.204 38.000 -0.028 0.000 1.092 190 I HN 0.184 nan 8.210 nan 0.000 0.434 191 Q N 0.854 120.470 119.800 -0.308 0.000 2.322 191 Q HA -0.101 4.240 4.340 0.001 0.000 0.203 191 Q C 1.512 177.113 176.000 -0.665 0.000 0.923 191 Q CA 0.207 55.839 55.803 -0.285 0.000 0.949 191 Q CB -0.182 28.538 28.738 -0.030 0.000 1.039 191 Q HN 0.768 nan 8.270 nan 0.000 0.496 192 W N -0.303 120.333 121.300 -1.107 0.000 2.364 192 W HA -0.098 4.563 4.660 0.001 0.000 0.281 192 W C 1.051 177.315 176.519 -0.425 0.000 1.219 192 W CA 1.138 57.727 57.345 -1.260 0.000 1.220 192 W CB -0.941 27.913 29.460 -1.011 0.000 1.127 192 W HN 0.076 nan 8.180 nan 0.000 0.556 193 G N 1.110 109.346 108.800 -0.941 0.000 2.712 193 G HA2 -0.145 3.816 3.960 0.001 0.000 0.212 193 G HA3 -0.145 3.816 3.960 0.001 0.000 0.212 193 G C 0.776 175.520 174.900 -0.260 0.000 1.142 193 G CA -0.147 44.488 45.100 -0.775 0.000 0.789 193 G HN 0.215 nan 8.290 nan 0.000 0.535 194 K N 0.355 120.680 120.400 -0.126 0.000 2.290 194 K HA 0.510 4.830 4.320 0.001 0.000 0.250 194 K C -1.564 175.161 176.600 0.208 0.000 1.092 194 K CA -0.595 55.717 56.287 0.042 0.000 1.006 194 K CB 0.196 32.736 32.500 0.065 0.000 1.549 194 K HN 0.072 nan 8.250 nan 0.000 0.436 195 L N 3.154 124.475 121.223 0.162 0.000 2.476 195 L HA 0.295 4.636 4.340 0.001 0.000 0.269 195 L C -1.338 175.529 176.870 -0.005 0.000 0.965 195 L CA -0.425 54.507 54.840 0.154 0.000 0.845 195 L CB 1.934 44.151 42.059 0.264 0.000 1.259 195 L HN 0.427 nan 8.230 nan 0.000 0.403 196 Q N 3.500 123.244 119.800 -0.094 0.000 2.323 196 Q HA 0.456 4.796 4.340 0.001 0.000 0.257 196 Q C -1.491 174.171 176.000 -0.564 0.000 1.022 196 Q CA -0.050 55.532 55.803 -0.370 0.000 0.919 196 Q CB 0.949 29.383 28.738 -0.507 0.000 1.220 196 Q HN 0.511 nan 8.270 nan 0.000 0.427 197 V N 6.506 126.146 119.914 -0.456 0.000 2.334 197 V HA 0.312 4.432 4.120 0.001 0.000 0.267 197 V C -0.579 175.266 176.094 -0.415 0.000 1.040 197 V CA -0.511 61.573 62.300 -0.359 0.000 0.866 197 V CB -0.150 31.568 31.823 -0.176 0.000 1.019 197 V HN 0.614 nan 8.190 nan 0.000 0.468 198 F N 2.844 122.696 119.950 -0.162 0.000 2.413 198 F HA 0.301 4.829 4.527 0.001 0.000 0.359 198 F C 0.744 176.406 175.800 -0.230 0.000 1.122 198 F CA -1.020 56.875 58.000 -0.175 0.000 1.160 198 F CB 0.534 39.441 39.000 -0.154 0.000 1.146 198 F HN 0.421 nan 8.300 nan 0.000 0.514 199 D N 3.409 123.798 120.400 -0.018 0.000 2.344 199 D HA 0.282 4.923 4.640 0.001 0.000 0.253 199 D C 0.267 176.440 176.300 -0.212 0.000 1.255 199 D CA 0.198 54.124 54.000 -0.123 0.000 0.894 199 D CB 0.965 41.727 40.800 -0.062 0.000 1.067 199 D HN 0.620 nan 8.370 nan 0.000 0.492 200 A N 4.656 127.182 122.820 -0.489 0.000 2.630 200 A HA 0.148 4.469 4.320 0.001 0.000 0.290 200 A C 1.561 178.837 177.584 -0.513 0.000 1.267 200 A CA -0.409 51.067 52.037 -0.935 0.000 0.950 200 A CB 0.055 17.944 19.000 -1.852 0.000 1.144 200 A HN 0.546 nan 8.150 nan 0.000 0.527 201 R N 1.142 121.497 120.500 -0.242 0.000 2.357 201 R HA -0.050 4.291 4.340 0.001 0.000 0.202 201 R C -0.154 176.112 176.300 -0.057 0.000 1.047 201 R CA 1.092 57.128 56.100 -0.106 0.000 1.034 201 R CB 0.006 30.304 30.300 -0.003 0.000 0.875 201 R HN 0.659 nan 8.270 nan 0.000 0.473 202 D N -0.303 120.083 120.400 -0.023 0.000 3.163 202 D HA 0.038 4.678 4.640 0.001 0.000 0.284 202 D C -0.654 175.722 176.300 0.126 0.000 1.368 202 D CA -0.310 53.724 54.000 0.058 0.000 0.895 202 D CB -0.132 40.720 40.800 0.086 0.000 1.061 202 D HN -0.047 nan 8.370 nan 0.000 0.496 203 C N 0.680 120.015 119.300 0.059 0.000 2.411 203 C HA 0.594 5.055 4.460 0.001 0.000 0.330 203 C C 1.166 176.249 174.990 0.155 0.000 1.224 203 C CA -0.194 58.908 59.018 0.139 0.000 1.770 203 C CB 1.306 29.097 27.740 0.085 0.000 2.297 203 C HN 0.568 nan 8.230 nan 0.000 0.507 204 S N 1.074 116.930 115.700 0.261 0.000 2.817 204 S HA 0.303 4.774 4.470 0.001 0.000 0.262 204 S C -0.104 174.674 174.600 0.298 0.000 1.051 204 S CA 0.135 58.529 58.200 0.324 0.000 1.185 204 S CB -0.201 63.119 63.200 0.200 0.000 1.152 204 S HN 1.178 nan 8.310 nan 0.000 0.653 205 S N -0.254 115.621 115.700 0.291 0.000 2.596 205 S HA 0.827 5.298 4.470 0.001 0.000 0.270 205 S C 0.838 175.556 174.600 0.197 0.000 1.155 205 S CA -0.301 58.020 58.200 0.201 0.000 0.827 205 S CB 0.984 64.269 63.200 0.141 0.000 1.130 205 S HN 0.558 nan 8.310 nan 0.000 0.467 206 A N 0.783 123.692 122.820 0.148 0.000 1.933 206 A HA -0.057 4.264 4.320 0.001 0.000 0.218 206 A C 2.091 179.684 177.584 0.014 0.000 1.175 206 A CA 1.513 53.629 52.037 0.131 0.000 0.628 206 A CB -0.949 18.196 19.000 0.241 0.000 0.814 206 A HN 0.749 nan 8.150 nan 0.000 0.444 207 Q N -0.003 119.856 119.800 0.099 0.000 2.124 207 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 207 Q C 1.856 177.850 176.000 -0.009 0.000 0.977 207 Q CA 1.902 57.698 55.803 -0.013 0.000 0.850 207 Q CB -0.273 28.549 28.738 0.141 0.000 0.901 207 Q HN 0.817 nan 8.270 nan 0.000 0.429 208 E N -0.499 119.746 120.200 0.076 0.000 2.106 208 E HA -0.127 4.224 4.350 0.001 0.000 0.192 208 E C 2.132 178.875 176.600 0.237 0.000 0.984 208 E CA 0.767 57.240 56.400 0.122 0.000 0.806 208 E CB -0.081 29.737 29.700 0.197 0.000 0.750 208 E HN 0.358 nan 8.360 nan 0.000 0.458 209 M N 0.012 119.721 119.600 0.181 0.000 2.108 209 M HA -0.177 4.304 4.480 0.001 0.000 0.261 209 M C 2.211 178.603 176.300 0.154 0.000 1.066 209 M CA 1.341 56.720 55.300 0.131 0.000 1.107 209 M CB -0.297 32.168 32.600 -0.225 0.000 1.356 209 M HN 0.118 nan 8.290 nan 0.000 0.406 210 F N 1.004 120.798 119.950 -0.261 0.000 2.134 210 F HA -0.172 4.356 4.527 0.001 0.000 0.299 210 F C 2.313 178.012 175.800 -0.168 0.000 1.097 210 F CA 1.731 59.513 58.000 -0.363 0.000 1.264 210 F CB -0.729 37.721 39.000 -0.916 0.000 1.001 210 F HN 0.017 nan 8.300 nan 0.000 0.479 211 T N -0.629 113.786 114.554 -0.233 0.000 2.821 211 T HA -0.200 4.151 4.350 0.001 0.000 0.267 211 T C 1.674 176.221 174.700 -0.254 0.000 1.046 211 T CA 1.612 63.514 62.100 -0.330 0.000 1.139 211 T CB -0.556 68.161 68.868 -0.251 0.000 0.871 211 T HN 0.275 nan 8.240 nan 0.000 0.454 212 Y N 0.845 121.089 120.300 -0.093 0.000 2.242 212 Y HA 0.083 4.633 4.550 0.001 0.000 0.291 212 Y C 2.133 177.989 175.900 -0.073 0.000 1.137 212 Y CA 0.288 58.345 58.100 -0.071 0.000 1.181 212 Y CB -0.387 38.128 38.460 0.092 0.000 0.989 212 Y HN 0.203 nan 8.280 nan 0.000 0.527 213 I N -1.729 118.931 120.570 0.150 0.000 2.252 213 I HA -0.339 3.832 4.170 0.001 0.000 0.245 213 I C 2.151 178.230 176.117 -0.065 0.000 1.102 213 I CA 0.926 62.266 61.300 0.066 0.000 1.385 213 I CB -0.392 37.655 38.000 0.079 0.000 1.064 213 I HN 0.244 nan 8.210 nan 0.000 0.414 214 C N 0.518 119.663 119.300 -0.257 0.000 2.435 214 C HA -0.125 4.335 4.460 0.001 0.000 0.279 214 C C 2.622 177.516 174.990 -0.160 0.000 1.321 214 C CA 1.255 60.106 59.018 -0.278 0.000 1.752 214 C CB -1.461 25.984 27.740 -0.491 0.000 1.959 214 C HN 0.594 nan 8.230 nan 0.000 0.500 215 N N 0.486 119.077 118.700 -0.181 0.000 2.106 215 N HA -0.172 4.569 4.740 0.001 0.000 0.188 215 N C 1.586 176.983 175.510 -0.187 0.000 1.029 215 N CA 2.057 54.975 53.050 -0.220 0.000 0.848 215 N CB -0.603 37.684 38.487 -0.334 0.000 1.007 215 N HN 0.718 nan 8.380 nan 0.000 0.423 216 H N -0.359 118.570 119.070 -0.236 0.000 2.290 216 H HA 0.005 4.562 4.556 0.001 0.000 0.298 216 H C 2.061 177.451 175.328 0.105 0.000 1.087 216 H CA 2.220 58.244 56.048 -0.040 0.000 1.291 216 H CB -0.183 29.605 29.762 0.043 0.000 1.369 216 H HN 0.230 nan 8.280 nan 0.000 0.492 217 I N 1.092 121.828 120.570 0.278 0.000 2.099 217 I HA -0.328 3.843 4.170 0.001 0.000 0.239 217 I C 2.729 178.917 176.117 0.118 0.000 1.066 217 I CA 1.769 63.185 61.300 0.193 0.000 1.324 217 I CB -0.464 37.580 38.000 0.072 0.000 1.037 217 I HN 0.385 nan 8.210 nan 0.000 0.401 218 K N 1.087 121.523 120.400 0.060 0.000 2.113 218 K HA -0.291 4.029 4.320 0.001 0.000 0.208 218 K C 2.205 178.850 176.600 0.076 0.000 1.047 218 K CA 2.000 58.312 56.287 0.041 0.000 0.928 218 K CB -0.813 31.688 32.500 0.002 0.000 0.716 218 K HN 0.389 nan 8.250 nan 0.000 0.446 219 Y N 1.177 121.481 120.300 0.007 0.000 2.114 219 Y HA -0.068 4.483 4.550 0.001 0.000 0.284 219 Y C 2.493 178.430 175.900 0.062 0.000 1.119 219 Y CA 2.230 60.364 58.100 0.056 0.000 1.108 219 Y CB -0.720 37.835 38.460 0.159 0.000 0.995 219 Y HN 0.158 nan 8.280 nan 0.000 0.491 220 A N -0.269 122.627 122.820 0.127 0.000 1.917 220 A HA -0.253 4.068 4.320 0.001 0.000 0.219 220 A C 2.194 179.781 177.584 0.005 0.000 1.182 220 A CA 2.680 54.747 52.037 0.049 0.000 0.633 220 A CB -1.488 17.593 19.000 0.135 0.000 0.819 220 A HN 0.579 nan 8.150 nan 0.000 0.448 221 T N -0.537 114.037 114.554 0.033 0.000 2.708 221 T HA -0.143 4.208 4.350 0.001 0.000 0.266 221 T C 1.036 175.719 174.700 -0.029 0.000 1.037 221 T CA 1.097 63.214 62.100 0.027 0.000 1.146 221 T CB -0.567 68.324 68.868 0.038 0.000 0.865 221 T HN 0.770 nan 8.240 nan 0.000 0.435 222 N N 0.895 119.551 118.700 -0.073 0.000 2.705 222 N HA -0.287 4.454 4.740 0.001 0.000 0.255 222 N C -0.504 174.967 175.510 -0.065 0.000 1.008 222 N CA 0.205 53.194 53.050 -0.103 0.000 0.742 222 N CB -0.553 37.825 38.487 -0.180 0.000 0.906 222 N HN 0.422 nan 8.380 nan 0.000 0.541 223 R N -2.078 118.397 120.500 -0.042 0.000 3.741 223 R HA -0.260 4.081 4.340 0.001 0.000 0.292 223 R C 1.268 177.543 176.300 -0.043 0.000 1.176 223 R CA 1.196 57.274 56.100 -0.037 0.000 0.794 223 R CB -2.026 28.252 30.300 -0.038 0.000 1.213 223 R HN 0.856 nan 8.270 nan 0.000 0.494 224 G N -0.269 108.509 108.800 -0.037 0.000 2.278 224 G HA2 -0.330 3.631 3.960 0.001 0.000 0.210 224 G HA3 -0.330 3.631 3.960 0.001 0.000 0.210 224 G C -0.008 174.864 174.900 -0.048 0.000 1.000 224 G CA 0.065 45.141 45.100 -0.040 0.000 0.635 224 G HN 0.466 nan 8.290 nan 0.000 0.495 225 N N 1.248 119.908 118.700 -0.066 0.000 3.298 225 N HA 0.426 5.166 4.740 0.001 0.000 0.292 225 N C 0.347 175.804 175.510 -0.088 0.000 1.271 225 N CA -0.683 52.311 53.050 -0.094 0.000 1.184 225 N CB -0.164 38.266 38.487 -0.095 0.000 1.452 225 N HN 0.190 nan 8.380 nan 0.000 0.534 226 L N 1.892 123.090 121.223 -0.043 0.000 2.605 226 L HA -0.061 4.280 4.340 0.001 0.000 0.296 226 L C 0.598 177.530 176.870 0.104 0.000 1.255 226 L CA 1.266 56.139 54.840 0.054 0.000 0.879 226 L CB 0.107 42.282 42.059 0.193 0.000 1.124 226 L HN 0.383 nan 8.230 nan 0.000 0.507 227 R N 1.043 121.621 120.500 0.130 0.000 2.673 227 R HA 0.471 4.812 4.340 0.001 0.000 0.281 227 R C -0.819 175.617 176.300 0.226 0.000 0.991 227 R CA -0.765 55.444 56.100 0.183 0.000 0.896 227 R CB 1.774 32.038 30.300 -0.061 0.000 1.201 227 R HN 0.551 nan 8.270 nan 0.000 0.457 228 S N 1.312 117.165 115.700 0.254 0.000 2.531 228 S HA 0.519 4.989 4.470 0.001 0.000 0.279 228 S C -0.359 174.279 174.600 0.064 0.000 1.305 228 S CA -0.313 57.941 58.200 0.089 0.000 1.058 228 S CB 1.222 64.439 63.200 0.028 0.000 0.899 228 S HN 0.669 nan 8.310 nan 0.000 0.493 229 A N 2.916 125.733 122.820 -0.004 0.000 2.609 229 A HA 0.861 5.182 4.320 0.001 0.000 0.291 229 A C -1.254 176.373 177.584 0.071 0.000 1.096 229 A CA -0.687 51.297 52.037 -0.088 0.000 0.684 229 A CB 1.283 20.161 19.000 -0.203 0.000 1.282 229 A HN 0.810 nan 8.150 nan 0.000 0.412 230 I N 0.564 121.174 120.570 0.067 0.000 2.644 230 I HA 0.528 4.698 4.170 0.001 0.000 0.291 230 I C -1.230 175.005 176.117 0.197 0.000 1.180 230 I CA -0.096 61.354 61.300 0.250 0.000 1.040 230 I CB 2.321 40.408 38.000 0.146 0.000 1.255 230 I HN 0.615 nan 8.210 nan 0.000 0.422 231 T N 6.550 121.243 114.554 0.232 0.000 2.758 231 T HA 0.436 4.786 4.350 0.001 0.000 0.285 231 T C -0.527 173.970 174.700 -0.338 0.000 0.981 231 T CA -0.390 61.682 62.100 -0.045 0.000 0.965 231 T CB 1.457 70.234 68.868 -0.151 0.000 0.927 231 T HN 0.271 nan 8.240 nan 0.000 0.448 232 V N 5.062 124.724 119.914 -0.420 0.000 2.318 232 V HA 0.432 4.552 4.120 0.001 0.000 0.271 232 V C -0.240 175.584 176.094 -0.450 0.000 1.030 232 V CA -0.862 61.212 62.300 -0.376 0.000 0.844 232 V CB -0.391 31.193 31.823 -0.399 0.000 1.015 232 V HN 0.705 nan 8.190 nan 0.000 0.460 233 F N 5.045 124.929 119.950 -0.110 0.000 2.368 233 F HA 0.453 4.981 4.527 0.001 0.000 0.308 233 F C -1.745 173.978 175.800 -0.129 0.000 1.198 233 F CA -2.327 55.541 58.000 -0.219 0.000 1.130 233 F CB -0.020 38.848 39.000 -0.220 0.000 1.300 233 F HN 0.287 nan 8.300 nan 0.000 0.537 234 P HA -0.017 nan 4.420 nan 0.000 0.264 234 P C -0.799 176.529 177.300 0.047 0.000 1.183 234 P CA -0.069 62.964 63.100 -0.113 0.000 0.763 234 P CB 0.214 31.673 31.700 -0.402 0.000 0.807 235 Q N 4.083 123.849 119.800 -0.057 0.000 2.722 235 Q HA 0.103 4.443 4.340 0.001 0.000 0.214 235 Q C -0.259 175.635 176.000 -0.178 0.000 1.109 235 Q CA -0.092 55.454 55.803 -0.428 0.000 1.066 235 Q CB 0.443 28.698 28.738 -0.804 0.000 1.290 235 Q HN 0.357 nan 8.270 nan 0.000 0.620 236 R N -0.407 119.941 120.500 -0.255 0.000 2.410 236 R HA 0.597 4.938 4.340 0.001 0.000 0.288 236 R C -0.906 175.328 176.300 -0.110 0.000 1.051 236 R CA -0.230 55.805 56.100 -0.108 0.000 1.021 236 R CB 1.440 31.676 30.300 -0.106 0.000 1.032 236 R HN 0.705 nan 8.270 nan 0.000 0.481 237 A N 3.985 126.782 122.820 -0.038 0.000 2.356 237 A HA 0.539 4.860 4.320 0.001 0.000 0.310 237 A C -2.451 175.122 177.584 -0.018 0.000 1.075 237 A CA -1.925 50.095 52.037 -0.029 0.000 0.746 237 A CB 1.318 20.327 19.000 0.016 0.000 1.221 237 A HN 0.391 nan 8.150 nan 0.000 0.443 238 P HA 0.328 nan 4.420 nan 0.000 0.267 238 P C 1.093 178.392 177.300 -0.002 0.000 1.205 238 P CA 1.845 64.938 63.100 -0.012 0.000 0.765 238 P CB 0.816 32.510 31.700 -0.009 0.000 0.828 239 G N 1.724 110.523 108.800 -0.001 0.000 2.179 239 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 239 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 239 G C 0.337 175.238 174.900 0.002 0.000 0.977 239 G CA -0.085 45.017 45.100 0.002 0.000 0.641 239 G HN 0.713 nan 8.290 nan 0.000 0.533 240 R N 0.458 120.959 120.500 0.001 0.000 2.803 240 R HA 0.592 4.932 4.340 0.001 0.000 0.276 240 R C 1.061 177.355 176.300 -0.011 0.000 0.978 240 R CA 0.016 56.114 56.100 -0.003 0.000 0.939 240 R CB 0.966 31.270 30.300 0.006 0.000 1.179 240 R HN 0.327 nan 8.270 nan 0.000 0.472 241 G N 0.969 109.752 108.800 -0.028 0.000 2.647 241 G HA2 0.013 3.974 3.960 0.001 0.000 0.271 241 G HA3 0.013 3.974 3.960 0.001 0.000 0.271 241 G C -0.697 174.179 174.900 -0.040 0.000 1.300 241 G CA -0.204 44.877 45.100 -0.032 0.000 0.997 241 G HN 0.566 nan 8.290 nan 0.000 0.533 242 D N -1.052 119.335 120.400 -0.021 0.000 2.248 242 D HA 0.383 5.024 4.640 0.001 0.000 0.246 242 D C -0.613 175.684 176.300 -0.006 0.000 1.027 242 D CA -0.279 53.736 54.000 0.024 0.000 0.853 242 D CB 1.483 42.322 40.800 0.065 0.000 1.243 242 D HN 0.074 nan 8.370 nan 0.000 0.462 243 F N 2.148 122.125 119.950 0.044 0.000 2.472 243 F HA 0.259 4.786 4.527 0.001 0.000 0.364 243 F C 1.073 176.898 175.800 0.043 0.000 1.090 243 F CA 0.236 58.246 58.000 0.018 0.000 1.188 243 F CB 0.505 39.510 39.000 0.009 0.000 1.105 243 F HN -0.156 nan 8.300 nan 0.000 0.536 244 R N 4.135 124.750 120.500 0.190 0.000 2.698 244 R HA 0.539 4.880 4.340 0.001 0.000 0.275 244 R C -1.238 175.204 176.300 0.236 0.000 1.001 244 R CA -0.907 55.332 56.100 0.231 0.000 0.896 244 R CB 2.247 32.735 30.300 0.314 0.000 1.218 244 R HN 0.594 nan 8.270 nan 0.000 0.462 245 I N 1.767 122.477 120.570 0.234 0.000 2.354 245 I HA 0.172 4.343 4.170 0.001 0.000 0.286 245 I C 0.460 176.796 176.117 0.366 0.000 1.007 245 I CA -0.494 60.931 61.300 0.210 0.000 1.167 245 I CB 1.260 39.325 38.000 0.109 0.000 1.320 245 I HN 0.508 nan 8.210 nan 0.000 0.458 246 W N 3.408 124.752 121.300 0.073 0.000 2.402 246 W HA -0.090 4.571 4.660 0.001 0.000 0.286 246 W C 0.861 177.479 176.519 0.164 0.000 1.221 246 W CA 0.102 57.553 57.345 0.177 0.000 1.257 246 W CB -0.877 28.628 29.460 0.076 0.000 1.120 246 W HN 0.410 nan 8.180 nan 0.000 0.551 247 N N 0.038 118.886 118.700 0.247 0.000 2.513 247 N HA 0.034 4.775 4.740 0.001 0.000 0.268 247 N C 1.229 176.801 175.510 0.103 0.000 1.180 247 N CA 0.727 53.849 53.050 0.121 0.000 0.948 247 N CB 0.825 39.323 38.487 0.018 0.000 1.083 247 N HN -0.120 nan 8.380 nan 0.000 0.455 248 S N 0.881 116.638 115.700 0.095 0.000 2.447 248 S HA -0.071 4.399 4.470 0.001 0.000 0.233 248 S C 0.361 174.964 174.600 0.004 0.000 1.006 248 S CA 0.753 58.998 58.200 0.076 0.000 0.957 248 S CB -0.014 63.252 63.200 0.111 0.000 0.773 248 S HN 0.669 nan 8.310 nan 0.000 0.507 249 Q N -0.920 118.863 119.800 -0.029 0.000 2.456 249 Q HA 0.508 4.848 4.340 0.001 0.000 0.284 249 Q C 0.197 176.113 176.000 -0.140 0.000 1.061 249 Q CA -0.571 55.172 55.803 -0.100 0.000 0.799 249 Q CB 1.877 30.574 28.738 -0.069 0.000 1.445 249 Q HN 0.107 nan 8.270 nan 0.000 0.411 250 L N -0.045 121.072 121.223 -0.176 0.000 2.093 250 L HA 0.041 4.381 4.340 0.001 0.000 0.208 250 L C 0.452 177.174 176.870 -0.246 0.000 1.085 250 L CA 0.817 55.559 54.840 -0.164 0.000 0.755 250 L CB -0.007 41.965 42.059 -0.146 0.000 0.904 250 L HN 0.251 nan 8.230 nan 0.000 0.435 251 V N 1.043 120.712 119.914 -0.408 0.000 2.384 251 V HA 0.499 4.620 4.120 0.001 0.000 0.287 251 V C -0.159 175.343 176.094 -0.987 0.000 1.020 251 V CA -0.657 61.215 62.300 -0.714 0.000 0.850 251 V CB 1.551 32.818 31.823 -0.927 0.000 0.987 251 V HN 0.214 nan 8.190 nan 0.000 0.436 252 R N 2.708 122.762 120.500 -0.743 0.000 2.710 252 R HA 0.524 4.865 4.340 0.001 0.000 0.270 252 R C -1.911 174.138 176.300 -0.418 0.000 1.021 252 R CA -0.834 54.972 56.100 -0.490 0.000 0.889 252 R CB 2.362 32.553 30.300 -0.182 0.000 1.243 252 R HN 0.566 nan 8.270 nan 0.000 0.464 253 Y N 0.054 120.347 120.300 -0.010 0.000 2.387 253 Y HA 0.523 5.074 4.550 0.001 0.000 0.330 253 Y C 0.796 176.666 175.900 -0.049 0.000 1.133 253 Y CA -0.662 57.447 58.100 0.016 0.000 1.152 253 Y CB 1.492 40.041 38.460 0.148 0.000 1.215 253 Y HN 0.718 nan 8.280 nan 0.000 0.466 254 A N 1.219 124.069 122.820 0.050 0.000 2.425 254 A HA 0.562 4.883 4.320 0.001 0.000 0.242 254 A C 0.543 177.878 177.584 -0.415 0.000 1.077 254 A CA 0.239 52.147 52.037 -0.215 0.000 0.781 254 A CB -0.259 18.572 19.000 -0.283 0.000 1.020 254 A HN 0.963 nan 8.150 nan 0.000 0.494 255 G N 0.847 109.407 108.800 -0.400 0.000 2.938 255 G HA2 0.526 4.486 3.960 0.001 0.000 0.308 255 G HA3 0.526 4.486 3.960 0.001 0.000 0.308 255 G C -1.103 173.658 174.900 -0.232 0.000 1.422 255 G CA -0.250 44.665 45.100 -0.310 0.000 1.071 255 G HN 0.497 nan 8.290 nan 0.000 0.530 256 Y N 1.094 121.415 120.300 0.036 0.000 2.425 256 Y HA 0.363 4.914 4.550 0.001 0.000 0.347 256 Y C 1.053 176.959 175.900 0.009 0.000 0.976 256 Y CA -1.385 56.735 58.100 0.032 0.000 1.190 256 Y CB 1.001 39.476 38.460 0.025 0.000 1.136 256 Y HN 0.520 nan 8.280 nan 0.000 0.517 257 R N 3.740 124.328 120.500 0.147 0.000 2.357 257 R HA 0.072 4.413 4.340 0.001 0.000 0.330 257 R C -0.455 175.890 176.300 0.076 0.000 1.102 257 R CA 0.013 56.163 56.100 0.084 0.000 0.974 257 R CB 0.053 30.391 30.300 0.063 0.000 1.002 257 R HN 0.712 nan 8.270 nan 0.000 0.463 258 Q N 2.641 122.479 119.800 0.063 0.000 2.340 258 Q HA -0.040 4.301 4.340 0.001 0.000 0.249 258 Q C 1.008 177.023 176.000 0.023 0.000 0.957 258 Q CA -0.163 55.664 55.803 0.040 0.000 0.882 258 Q CB 1.425 30.185 28.738 0.036 0.000 1.235 258 Q HN 0.727 nan 8.270 nan 0.000 0.439 259 Q N 1.800 121.607 119.800 0.013 0.000 2.135 259 Q HA -0.334 4.007 4.340 0.001 0.000 0.218 259 Q C 0.455 176.460 176.000 0.009 0.000 1.058 259 Q CA 2.337 58.144 55.803 0.007 0.000 0.926 259 Q CB -0.720 28.018 28.738 -0.000 0.000 1.065 259 Q HN 0.788 nan 8.270 nan 0.000 0.433 260 D N -0.174 120.231 120.400 0.008 0.000 2.663 260 D HA 0.119 4.760 4.640 0.001 0.000 0.243 260 D C 1.015 177.322 176.300 0.011 0.000 1.218 260 D CA 0.578 54.583 54.000 0.008 0.000 0.846 260 D CB 0.112 40.915 40.800 0.006 0.000 1.014 260 D HN 0.675 nan 8.370 nan 0.000 0.476 261 G N 0.642 109.451 108.800 0.015 0.000 2.284 261 G HA2 -0.379 3.582 3.960 0.001 0.000 0.261 261 G HA3 -0.379 3.582 3.960 0.001 0.000 0.261 261 G C 0.510 175.421 174.900 0.018 0.000 0.997 261 G CA 0.625 45.735 45.100 0.017 0.000 0.621 261 G HN 0.738 nan 8.290 nan 0.000 0.534 262 S N -0.877 114.832 115.700 0.016 0.000 2.587 262 S HA 0.478 4.949 4.470 0.001 0.000 0.260 262 S C 0.200 174.810 174.600 0.017 0.000 1.353 262 S CA 0.626 58.834 58.200 0.014 0.000 0.995 262 S CB 1.313 64.521 63.200 0.013 0.000 0.912 262 S HN 1.207 nan 8.310 nan 0.000 0.568 263 V N 3.238 123.154 119.914 0.004 0.000 2.524 263 V HA 0.432 4.553 4.120 0.001 0.000 0.297 263 V C -0.225 175.853 176.094 -0.027 0.000 1.035 263 V CA -0.843 61.454 62.300 -0.004 0.000 0.867 263 V CB 1.568 33.374 31.823 -0.029 0.000 1.004 263 V HN 0.946 nan 8.190 nan 0.000 0.426 264 R N 3.572 124.088 120.500 0.027 0.000 2.340 264 R HA 0.702 5.043 4.340 0.001 0.000 0.300 264 R C 0.744 176.992 176.300 -0.086 0.000 1.069 264 R CA 1.432 57.555 56.100 0.038 0.000 0.984 264 R CB 0.666 31.094 30.300 0.214 0.000 1.003 264 R HN 1.308 nan 8.270 nan 0.000 0.459 265 G N 3.067 111.751 108.800 -0.192 0.000 2.488 265 G HA2 -0.260 3.701 3.960 0.001 0.000 0.237 265 G HA3 -0.260 3.701 3.960 0.001 0.000 0.237 265 G C -1.223 173.315 174.900 -0.603 0.000 1.209 265 G CA 0.072 44.973 45.100 -0.332 0.000 0.929 265 G HN 0.714 nan 8.290 nan 0.000 0.578 266 D N 1.541 121.694 120.400 -0.411 0.000 2.359 266 D HA 0.573 5.214 4.640 0.001 0.000 0.230 266 D C -1.031 175.157 176.300 -0.187 0.000 1.118 266 D CA -1.997 51.778 54.000 -0.376 0.000 0.844 266 D CB 1.501 42.357 40.800 0.095 0.000 1.059 266 D HN -0.020 nan 8.370 nan 0.000 0.493 267 P HA -0.090 nan 4.420 nan 0.000 0.218 267 P C 0.871 178.174 177.300 0.005 0.000 1.148 267 P CA 1.097 64.156 63.100 -0.070 0.000 0.822 267 P CB 0.257 31.926 31.700 -0.053 0.000 0.784 268 A N -0.848 121.991 122.820 0.030 0.000 2.172 268 A HA -0.111 4.209 4.320 0.001 0.000 0.216 268 A C 1.558 179.196 177.584 0.091 0.000 1.154 268 A CA 1.331 53.420 52.037 0.088 0.000 0.701 268 A CB -0.863 18.205 19.000 0.113 0.000 0.789 268 A HN 0.149 nan 8.150 nan 0.000 0.465 269 N N -0.840 117.894 118.700 0.056 0.000 2.204 269 N HA 0.129 4.869 4.740 0.001 0.000 0.219 269 N C 1.100 176.614 175.510 0.007 0.000 1.151 269 N CA 0.177 53.251 53.050 0.040 0.000 0.867 269 N CB 0.640 39.146 38.487 0.032 0.000 1.043 269 N HN 0.168 nan 8.380 nan 0.000 0.516 270 V N 1.081 121.002 119.914 0.011 0.000 2.332 270 V HA -0.241 3.880 4.120 0.001 0.000 0.248 270 V C 2.415 178.527 176.094 0.029 0.000 1.055 270 V CA 1.840 64.148 62.300 0.013 0.000 1.038 270 V CB -0.243 31.595 31.823 0.025 0.000 0.651 270 V HN 0.386 nan 8.190 nan 0.000 0.450 271 E N -0.284 119.941 120.200 0.041 0.000 2.031 271 E HA -0.256 4.094 4.350 0.001 0.000 0.193 271 E C 2.153 178.712 176.600 -0.068 0.000 0.994 271 E CA 1.703 58.117 56.400 0.022 0.000 0.800 271 E CB -0.187 29.575 29.700 0.103 0.000 0.752 271 E HN 0.469 nan 8.360 nan 0.000 0.447 272 I N 0.882 121.411 120.570 -0.067 0.000 2.361 272 I HA -0.213 3.958 4.170 0.001 0.000 0.251 272 I C 2.028 178.100 176.117 -0.076 0.000 1.133 272 I CA 1.432 62.650 61.300 -0.137 0.000 1.413 272 I CB -0.237 37.725 38.000 -0.064 0.000 1.073 272 I HN 0.123 nan 8.210 nan 0.000 0.424 273 T N 0.094 114.639 114.554 -0.016 0.000 2.821 273 T HA -0.152 4.199 4.350 0.001 0.000 0.267 273 T C 1.738 176.536 174.700 0.163 0.000 1.046 273 T CA 1.579 63.722 62.100 0.072 0.000 1.139 273 T CB -0.228 68.687 68.868 0.078 0.000 0.871 273 T HN 0.473 nan 8.240 nan 0.000 0.454 274 E N 0.837 121.094 120.200 0.094 0.000 2.072 274 E HA -0.016 4.335 4.350 0.001 0.000 0.191 274 E C 2.238 178.887 176.600 0.081 0.000 0.985 274 E CA 0.743 57.200 56.400 0.096 0.000 0.801 274 E CB -0.290 29.440 29.700 0.050 0.000 0.750 274 E HN 0.394 nan 8.360 nan 0.000 0.452 275 L N 0.559 121.785 121.223 0.005 0.000 2.079 275 L HA -0.241 4.099 4.340 0.001 0.000 0.210 275 L C 2.540 179.510 176.870 0.166 0.000 1.081 275 L CA 0.783 55.650 54.840 0.044 0.000 0.752 275 L CB -0.361 41.607 42.059 -0.152 0.000 0.896 275 L HN 0.331 nan 8.230 nan 0.000 0.433 276 C N -0.357 119.003 119.300 0.101 0.000 2.446 276 C HA -0.110 4.351 4.460 0.001 0.000 0.277 276 C C 2.672 177.841 174.990 0.298 0.000 1.275 276 C CA 0.264 59.360 59.018 0.131 0.000 1.727 276 C CB -0.563 27.179 27.740 0.002 0.000 2.010 276 C HN 0.430 nan 8.230 nan 0.000 0.486 277 I N 0.666 121.430 120.570 0.323 0.000 2.315 277 I HA -0.240 3.931 4.170 0.001 0.000 0.248 277 I C 2.798 178.983 176.117 0.114 0.000 1.117 277 I CA 1.417 62.854 61.300 0.228 0.000 1.404 277 I CB -0.686 37.413 38.000 0.164 0.000 1.071 277 I HN 0.489 nan 8.210 nan 0.000 0.419 278 Q N 0.817 120.678 119.800 0.101 0.000 2.135 278 Q HA -0.248 4.092 4.340 0.001 0.000 0.204 278 Q C 1.165 177.098 176.000 -0.113 0.000 0.981 278 Q CA 1.750 57.548 55.803 -0.009 0.000 0.856 278 Q CB -0.039 28.699 28.738 -0.000 0.000 0.902 278 Q HN 0.574 nan 8.270 nan 0.000 0.425 279 H N -1.392 117.670 119.070 -0.013 0.000 2.610 279 H HA 0.282 4.838 4.556 0.001 0.000 0.302 279 H C 0.566 175.872 175.328 -0.035 0.000 1.063 279 H CA 0.636 56.651 56.048 -0.056 0.000 1.159 279 H CB 0.465 30.152 29.762 -0.125 0.000 1.427 279 H HN 0.523 nan 8.280 nan 0.000 0.553 280 G N -0.235 108.605 108.800 0.065 0.000 2.141 280 G HA2 -0.277 3.684 3.960 0.001 0.000 0.242 280 G HA3 -0.277 3.684 3.960 0.001 0.000 0.242 280 G C -0.025 174.936 174.900 0.102 0.000 0.982 280 G CA 0.015 45.142 45.100 0.045 0.000 0.662 280 G HN 0.453 nan 8.290 nan 0.000 0.527 281 W N 1.821 123.104 121.300 -0.028 0.000 2.272 281 W HA 0.651 5.311 4.660 0.001 0.000 0.318 281 W C 0.204 176.716 176.519 -0.011 0.000 1.255 281 W CA -0.029 57.303 57.345 -0.023 0.000 1.200 281 W CB 0.947 30.401 29.460 -0.010 0.000 1.170 281 W HN 0.045 nan 8.180 nan 0.000 0.549 282 T N 9.441 123.592 114.554 -0.672 0.000 2.794 282 T HA 0.201 4.552 4.350 0.001 0.000 0.304 282 T C -2.103 171.807 174.700 -1.318 0.000 0.973 282 T CA -0.910 60.766 62.100 -0.707 0.000 0.972 282 T CB 0.290 68.950 68.868 -0.346 0.000 0.952 282 T HN 0.237 nan 8.240 nan 0.000 0.509 283 P HA 0.324 nan 4.420 nan 0.000 0.274 283 P C 0.367 177.283 177.300 -0.639 0.000 1.231 283 P CA -0.243 62.054 63.100 -1.338 0.000 0.790 283 P CB 1.133 32.343 31.700 -0.816 0.000 0.951 284 G N 1.331 109.936 108.800 -0.325 0.000 2.695 284 G HA2 0.346 4.307 3.960 0.001 0.000 0.213 284 G HA3 0.346 4.307 3.960 0.001 0.000 0.213 284 G C 0.022 174.697 174.900 -0.376 0.000 1.406 284 G CA -0.517 44.482 45.100 -0.168 0.000 1.049 284 G HN 0.714 nan 8.290 nan 0.000 0.573 285 N N -0.677 117.955 118.700 -0.113 0.000 2.581 285 N HA 0.243 4.983 4.740 0.001 0.000 0.274 285 N C -0.042 175.539 175.510 0.119 0.000 1.629 285 N CA -0.023 52.964 53.050 -0.105 0.000 0.884 285 N CB 0.472 38.854 38.487 -0.174 0.000 1.423 285 N HN 0.721 nan 8.380 nan 0.000 0.507 286 G N 0.054 109.007 108.800 0.257 0.000 2.597 286 G HA2 0.452 4.412 3.960 0.001 0.000 0.317 286 G HA3 0.452 4.412 3.960 0.001 0.000 0.317 286 G C 0.411 175.386 174.900 0.125 0.000 1.230 286 G CA -0.805 44.399 45.100 0.173 0.000 0.996 286 G HN 0.143 nan 8.290 nan 0.000 0.490 287 R N -1.001 119.459 120.500 -0.067 0.000 2.210 287 R HA 0.120 4.461 4.340 0.001 0.000 0.203 287 R C -0.116 175.792 176.300 -0.653 0.000 1.010 287 R CA 0.712 56.592 56.100 -0.366 0.000 1.008 287 R CB 0.134 30.097 30.300 -0.561 0.000 0.923 287 R HN 0.383 nan 8.270 nan 0.000 0.469 288 F N 0.878 120.800 119.950 -0.047 0.000 2.679 288 F HA 0.265 4.793 4.527 0.001 0.000 0.354 288 F C -0.664 175.121 175.800 -0.025 0.000 1.423 288 F CA -1.229 56.509 58.000 -0.436 0.000 1.141 288 F CB 0.502 39.077 39.000 -0.708 0.000 1.168 288 F HN -0.288 nan 8.300 nan 0.000 0.530 289 D N 1.557 122.137 120.400 0.300 0.000 2.347 289 D HA 0.192 4.832 4.640 0.001 0.000 0.235 289 D C 0.224 176.774 176.300 0.417 0.000 1.149 289 D CA 0.094 54.325 54.000 0.386 0.000 0.850 289 D CB 1.939 43.008 40.800 0.450 0.000 1.061 289 D HN -0.073 nan 8.370 nan 0.000 0.487 290 V N 3.760 123.893 119.914 0.365 0.000 2.557 290 V HA -0.054 4.067 4.120 0.001 0.000 0.301 290 V C 1.074 177.158 176.094 -0.016 0.000 1.026 290 V CA -0.028 62.347 62.300 0.124 0.000 1.137 290 V CB 0.113 31.963 31.823 0.045 0.000 0.917 290 V HN 0.350 nan 8.190 nan 0.000 0.484 291 L N 7.978 129.089 121.223 -0.187 0.000 2.453 291 L HA 0.398 4.739 4.340 0.001 0.000 0.261 291 L C -1.679 174.928 176.870 -0.439 0.000 1.179 291 L CA -1.418 53.160 54.840 -0.437 0.000 0.813 291 L CB 1.133 42.966 42.059 -0.377 0.000 1.110 291 L HN 0.501 nan 8.230 nan 0.000 0.466 292 P HA 0.292 nan 4.420 nan 0.000 0.280 292 P C -1.200 175.920 177.300 -0.301 0.000 1.272 292 P CA -0.576 62.258 63.100 -0.442 0.000 0.819 292 P CB 1.239 32.558 31.700 -0.635 0.000 1.122 293 L N 0.742 121.872 121.223 -0.154 0.000 2.325 293 L HA 0.418 4.758 4.340 0.001 0.000 0.279 293 L C 0.387 177.206 176.870 -0.085 0.000 1.054 293 L CA -0.783 54.014 54.840 -0.072 0.000 0.804 293 L CB 0.788 42.876 42.059 0.049 0.000 1.200 293 L HN 0.192 nan 8.230 nan 0.000 0.436 294 L N 4.879 126.042 121.223 -0.099 0.000 2.301 294 L HA 0.469 4.810 4.340 0.001 0.000 0.278 294 L C -0.752 176.012 176.870 -0.175 0.000 1.022 294 L CA -0.286 54.411 54.840 -0.239 0.000 0.854 294 L CB 0.996 42.844 42.059 -0.350 0.000 1.226 294 L HN 0.446 nan 8.230 nan 0.000 0.429 295 L N 3.790 124.963 121.223 -0.082 0.000 2.309 295 L HA 0.509 4.850 4.340 0.001 0.000 0.282 295 L C -0.211 176.575 176.870 -0.141 0.000 1.036 295 L CA -0.378 54.442 54.840 -0.033 0.000 0.806 295 L CB 1.816 43.924 42.059 0.081 0.000 1.220 295 L HN 0.562 nan 8.230 nan 0.000 0.429 296 Q N 2.491 122.216 119.800 -0.126 0.000 2.310 296 Q HA 0.652 4.993 4.340 0.001 0.000 0.270 296 Q C -1.225 174.701 176.000 -0.123 0.000 1.025 296 Q CA -0.599 55.114 55.803 -0.149 0.000 0.772 296 Q CB 2.203 30.867 28.738 -0.123 0.000 1.253 296 Q HN 0.789 nan 8.270 nan 0.000 0.450 297 A N 5.024 127.732 122.820 -0.187 0.000 2.293 297 A HA 0.642 4.962 4.320 0.001 0.000 0.302 297 A C -2.414 174.905 177.584 -0.442 0.000 1.119 297 A CA -1.611 50.168 52.037 -0.430 0.000 0.823 297 A CB 0.195 19.064 19.000 -0.219 0.000 1.097 297 A HN 0.622 nan 8.150 nan 0.000 0.491 298 P HA -0.045 nan 4.420 nan 0.000 0.261 298 P C -0.565 176.627 177.300 -0.180 0.000 1.158 298 P CA 0.977 63.857 63.100 -0.366 0.000 0.758 298 P CB 0.109 31.584 31.700 -0.375 0.000 0.763 299 D N -0.048 120.295 120.400 -0.095 0.000 2.792 299 D HA -0.198 4.442 4.640 0.001 0.000 0.231 299 D C 0.018 176.295 176.300 -0.038 0.000 1.160 299 D CA 1.325 55.301 54.000 -0.041 0.000 0.697 299 D CB -0.544 40.236 40.800 -0.033 0.000 1.070 299 D HN 0.448 nan 8.370 nan 0.000 0.426 300 E N -0.713 119.452 120.200 -0.057 0.000 2.288 300 E HA 0.652 5.003 4.350 0.001 0.000 0.268 300 E C -0.113 176.451 176.600 -0.061 0.000 0.885 300 E CA -0.784 55.583 56.400 -0.056 0.000 0.767 300 E CB 1.805 31.458 29.700 -0.078 0.000 1.220 300 E HN 0.137 nan 8.360 nan 0.000 0.427 301 A N 3.721 126.507 122.820 -0.056 0.000 2.498 301 A HA 0.326 4.646 4.320 0.001 0.000 0.239 301 A C -1.919 175.531 177.584 -0.223 0.000 1.068 301 A CA -0.750 51.237 52.037 -0.083 0.000 0.766 301 A CB -0.539 18.445 19.000 -0.027 0.000 1.003 301 A HN 0.288 nan 8.150 nan 0.000 0.497 302 P HA 0.154 nan 4.420 nan 0.000 0.270 302 P C -0.502 176.504 177.300 -0.490 0.000 1.223 302 P CA 0.150 62.842 63.100 -0.679 0.000 0.785 302 P CB 0.708 31.519 31.700 -1.482 0.000 0.923 303 E N 0.119 120.070 120.200 -0.416 0.000 2.244 303 E HA 0.452 4.803 4.350 0.001 0.000 0.266 303 E C -0.927 175.261 176.600 -0.687 0.000 0.914 303 E CA -1.102 54.995 56.400 -0.506 0.000 0.794 303 E CB 1.674 31.058 29.700 -0.526 0.000 1.210 303 E HN 0.254 nan 8.360 nan 0.000 0.414 304 L N 2.897 123.659 121.223 -0.767 0.000 2.264 304 L HA 0.417 4.758 4.340 0.001 0.000 0.289 304 L C -1.637 174.688 176.870 -0.907 0.000 1.044 304 L CA 0.050 54.513 54.840 -0.628 0.000 0.807 304 L CB 0.109 41.975 42.059 -0.321 0.000 1.192 304 L HN 0.374 nan 8.230 nan 0.000 0.425 305 F N 4.342 124.054 119.950 -0.398 0.000 2.536 305 F HA 0.457 4.984 4.527 0.001 0.000 0.322 305 F C -0.237 175.303 175.800 -0.434 0.000 1.144 305 F CA -0.932 56.687 58.000 -0.634 0.000 0.924 305 F CB 1.726 39.924 39.000 -1.337 0.000 1.181 305 F HN -0.014 nan 8.300 nan 0.000 0.438 306 V N 4.910 124.768 119.914 -0.094 0.000 2.406 306 V HA 0.237 4.357 4.120 0.001 0.000 0.272 306 V C 0.300 176.497 176.094 0.171 0.000 1.043 306 V CA -0.681 61.632 62.300 0.022 0.000 0.915 306 V CB 1.136 33.006 31.823 0.078 0.000 0.988 306 V HN 0.556 nan 8.190 nan 0.000 0.466 307 L N 7.644 128.971 121.223 0.173 0.000 2.455 307 L HA 0.225 4.565 4.340 0.001 0.000 0.272 307 L C -2.053 174.909 176.870 0.153 0.000 1.174 307 L CA -1.372 53.601 54.840 0.222 0.000 0.869 307 L CB 0.415 42.541 42.059 0.111 0.000 1.130 307 L HN 0.442 nan 8.230 nan 0.000 0.474 308 P HA 0.074 nan 4.420 nan 0.000 0.266 308 P C -1.997 175.343 177.300 0.066 0.000 1.215 308 P CA -0.945 62.212 63.100 0.096 0.000 0.763 308 P CB 0.457 32.196 31.700 0.066 0.000 0.806 309 P HA -0.264 nan 4.420 nan 0.000 0.218 309 P C 1.410 178.738 177.300 0.046 0.000 1.150 309 P CA 1.406 64.544 63.100 0.063 0.000 0.841 309 P CB -0.108 31.634 31.700 0.070 0.000 0.784 310 E N -0.292 119.930 120.200 0.037 0.000 2.152 310 E HA -0.130 4.220 4.350 0.001 0.000 0.192 310 E C 1.959 178.569 176.600 0.017 0.000 0.983 310 E CA 1.000 57.414 56.400 0.024 0.000 0.818 310 E CB -1.197 28.514 29.700 0.018 0.000 0.758 310 E HN 0.290 nan 8.360 nan 0.000 0.467 311 L N 1.192 122.425 121.223 0.016 0.000 2.141 311 L HA -0.015 4.326 4.340 0.001 0.000 0.209 311 L C 0.972 177.850 176.870 0.014 0.000 1.094 311 L CA 0.484 55.328 54.840 0.007 0.000 0.763 311 L CB 0.163 42.218 42.059 -0.006 0.000 0.908 311 L HN -0.052 nan 8.230 nan 0.000 0.437 312 V N 2.110 122.035 119.914 0.019 0.000 2.299 312 V HA 0.075 4.196 4.120 0.001 0.000 0.255 312 V C 0.175 176.292 176.094 0.038 0.000 1.100 312 V CA -0.495 61.816 62.300 0.019 0.000 0.938 312 V CB 0.712 32.538 31.823 0.004 0.000 1.139 312 V HN 0.067 nan 8.190 nan 0.000 0.490 313 L N 5.589 126.836 121.223 0.041 0.000 2.410 313 L HA 0.365 4.706 4.340 0.001 0.000 0.273 313 L C 0.205 177.108 176.870 0.054 0.000 1.152 313 L CA 0.808 55.666 54.840 0.030 0.000 0.855 313 L CB 0.292 42.360 42.059 0.015 0.000 1.129 313 L HN 0.645 nan 8.230 nan 0.000 0.463 314 E N 3.230 123.446 120.200 0.027 0.000 2.312 314 E HA 0.587 4.937 4.350 0.001 0.000 0.267 314 E C -1.474 175.083 176.600 -0.072 0.000 0.894 314 E CA -0.982 55.442 56.400 0.041 0.000 0.773 314 E CB 2.412 32.173 29.700 0.101 0.000 1.241 314 E HN 0.372 nan 8.360 nan 0.000 0.432 315 V N 3.116 122.956 119.914 -0.124 0.000 2.409 315 V HA 0.354 4.474 4.120 0.001 0.000 0.291 315 V C -2.284 173.758 176.094 -0.087 0.000 1.020 315 V CA -1.871 60.291 62.300 -0.231 0.000 0.848 315 V CB 1.363 32.776 31.823 -0.682 0.000 0.990 315 V HN 0.553 nan 8.190 nan 0.000 0.430 316 P HA 0.317 nan 4.420 nan 0.000 0.287 316 P C -0.637 176.675 177.300 0.020 0.000 1.294 316 P CA -0.220 62.862 63.100 -0.029 0.000 0.776 316 P CB 1.083 32.771 31.700 -0.019 0.000 0.889 317 L N 4.096 125.361 121.223 0.071 0.000 2.380 317 L HA 0.351 4.692 4.340 0.001 0.000 0.273 317 L C 1.194 178.187 176.870 0.205 0.000 1.138 317 L CA 0.154 55.079 54.840 0.142 0.000 0.832 317 L CB 0.117 42.306 42.059 0.218 0.000 1.124 317 L HN 0.517 nan 8.230 nan 0.000 0.454 318 E N 1.584 121.854 120.200 0.116 0.000 2.412 318 E HA 0.360 4.711 4.350 0.001 0.000 0.279 318 E C -1.404 175.142 176.600 -0.091 0.000 0.984 318 E CA -0.960 55.516 56.400 0.127 0.000 0.788 318 E CB 1.994 31.781 29.700 0.144 0.000 1.277 318 E HN 0.496 nan 8.360 nan 0.000 0.455 319 H N 1.685 120.570 119.070 -0.308 0.000 2.463 319 H HA 0.225 4.782 4.556 0.001 0.000 0.332 319 H C -1.668 173.362 175.328 -0.497 0.000 1.127 319 H CA -2.161 53.584 56.048 -0.504 0.000 1.238 319 H CB 1.961 31.382 29.762 -0.569 0.000 1.478 319 H HN 0.432 nan 8.280 nan 0.000 0.499 320 P HA -0.116 nan 4.420 nan 0.000 0.218 320 P C 0.968 178.057 177.300 -0.351 0.000 1.149 320 P CA 1.549 64.107 63.100 -0.903 0.000 0.817 320 P CB 0.403 31.570 31.700 -0.888 0.000 0.785 321 T N -4.138 110.351 114.554 -0.108 0.000 2.964 321 T HA 0.206 4.557 4.350 0.001 0.000 0.249 321 T C 0.917 175.604 174.700 -0.022 0.000 1.000 321 T CA -0.182 61.921 62.100 0.005 0.000 0.992 321 T CB -0.572 68.317 68.868 0.034 0.000 1.087 321 T HN -0.052 nan 8.240 nan 0.000 0.489 322 L N 3.610 124.798 121.223 -0.058 0.000 2.356 322 L HA 0.386 4.727 4.340 0.001 0.000 0.282 322 L C 1.584 178.123 176.870 -0.551 0.000 1.132 322 L CA -0.635 53.860 54.840 -0.574 0.000 0.923 322 L CB 0.574 41.891 42.059 -1.237 0.000 1.278 322 L HN 0.278 nan 8.230 nan 0.000 0.436 323 E N 2.891 122.921 120.200 -0.284 0.000 2.147 323 E HA -0.271 4.080 4.350 0.001 0.000 0.199 323 E C 1.716 178.291 176.600 -0.041 0.000 1.005 323 E CA 1.866 58.205 56.400 -0.101 0.000 0.810 323 E CB -0.327 29.377 29.700 0.008 0.000 0.736 323 E HN 0.763 nan 8.360 nan 0.000 0.460 324 W N -0.377 120.976 121.300 0.089 0.000 2.595 324 W HA 0.067 4.728 4.660 0.001 0.000 0.257 324 W C 1.366 177.928 176.519 0.072 0.000 1.267 324 W CA -0.003 57.378 57.345 0.059 0.000 1.300 324 W CB -0.939 28.531 29.460 0.017 0.000 1.120 324 W HN -0.025 nan 8.180 nan 0.000 0.618 325 F N 3.064 122.801 119.950 -0.354 0.000 2.091 325 F HA -0.196 4.332 4.527 0.001 0.000 0.299 325 F C 2.751 178.586 175.800 0.058 0.000 1.103 325 F CA 3.065 60.959 58.000 -0.176 0.000 1.228 325 F CB -0.820 37.947 39.000 -0.389 0.000 0.984 325 F HN -0.069 nan 8.300 nan 0.000 0.477 326 A N 0.203 123.194 122.820 0.285 0.000 1.917 326 A HA -0.160 4.161 4.320 0.001 0.000 0.219 326 A C 2.333 180.004 177.584 0.146 0.000 1.182 326 A CA 1.859 54.028 52.037 0.220 0.000 0.633 326 A CB -1.625 17.465 19.000 0.151 0.000 0.819 326 A HN 0.493 nan 8.150 nan 0.000 0.448 327 A N -0.560 122.345 122.820 0.142 0.000 2.186 327 A HA 0.017 4.338 4.320 0.001 0.000 0.219 327 A C 1.881 179.519 177.584 0.090 0.000 1.159 327 A CA 1.276 53.384 52.037 0.118 0.000 0.680 327 A CB -0.629 18.456 19.000 0.141 0.000 0.787 327 A HN 0.522 nan 8.150 nan 0.000 0.467 328 L N -1.337 119.922 121.223 0.060 0.000 2.478 328 L HA 0.104 4.444 4.340 0.001 0.000 0.223 328 L C 1.740 178.657 176.870 0.079 0.000 1.140 328 L CA 0.500 55.353 54.840 0.022 0.000 0.842 328 L CB -0.472 41.517 42.059 -0.116 0.000 0.953 328 L HN 0.552 nan 8.230 nan 0.000 0.452 329 G N 0.694 109.549 108.800 0.092 0.000 2.198 329 G HA2 -0.267 3.694 3.960 0.001 0.000 0.260 329 G HA3 -0.267 3.694 3.960 0.001 0.000 0.260 329 G C -0.095 174.868 174.900 0.106 0.000 1.025 329 G CA -0.175 44.992 45.100 0.111 0.000 0.769 329 G HN 0.101 nan 8.290 nan 0.000 0.507 330 L N 0.247 121.504 121.223 0.056 0.000 2.395 330 L HA 0.832 5.173 4.340 0.001 0.000 0.269 330 L C 1.005 177.708 176.870 -0.277 0.000 1.133 330 L CA -0.152 54.638 54.840 -0.084 0.000 0.812 330 L CB 1.033 43.149 42.059 0.096 0.000 1.125 330 L HN 0.658 nan 8.230 nan 0.000 0.452 331 R N 1.601 121.689 120.500 -0.685 0.000 2.728 331 R HA 0.505 4.845 4.340 0.001 0.000 0.274 331 R C -2.048 174.102 176.300 -0.250 0.000 1.030 331 R CA -0.970 54.883 56.100 -0.412 0.000 0.876 331 R CB 1.371 31.418 30.300 -0.423 0.000 1.259 331 R HN 0.592 nan 8.270 nan 0.000 0.468 332 W N 1.935 123.166 121.300 -0.115 0.000 3.363 332 W HA 0.288 4.948 4.660 0.001 0.000 0.306 332 W C -1.117 175.532 176.519 0.215 0.000 1.253 332 W CA -0.938 56.471 57.345 0.108 0.000 1.195 332 W CB 1.699 31.146 29.460 -0.023 0.000 1.366 332 W HN 0.701 nan 8.180 nan 0.000 0.551 333 Y N 1.553 121.855 120.300 0.002 0.000 2.426 333 Y HA 0.433 4.983 4.550 0.001 0.000 0.344 333 Y C 0.839 176.989 175.900 0.416 0.000 1.256 333 Y CA 0.595 58.741 58.100 0.077 0.000 1.451 333 Y CB 0.070 38.425 38.460 -0.176 0.000 1.342 333 Y HN 0.339 nan 8.280 nan 0.000 0.600 334 A N 2.114 125.194 122.820 0.433 0.000 1.975 334 A HA 0.110 4.431 4.320 0.001 0.000 0.215 334 A C 0.451 178.322 177.584 0.479 0.000 1.170 334 A CA 0.267 52.577 52.037 0.454 0.000 0.656 334 A CB -0.221 18.882 19.000 0.171 0.000 0.821 334 A HN 0.666 nan 8.150 nan 0.000 0.449 335 L N 1.880 123.341 121.223 0.396 0.000 2.265 335 L HA 0.434 4.774 4.340 0.001 0.000 0.289 335 L C -2.575 174.400 176.870 0.175 0.000 1.033 335 L CA -2.170 52.808 54.840 0.231 0.000 0.814 335 L CB 1.583 43.734 42.059 0.155 0.000 1.203 335 L HN -0.034 nan 8.230 nan 0.000 0.423 336 P HA 0.300 nan 4.420 nan 0.000 0.258 336 P C -1.340 175.874 177.300 -0.143 0.000 1.647 336 P CA -0.310 62.659 63.100 -0.219 0.000 1.099 336 P CB 1.085 32.335 31.700 -0.750 0.000 1.604 337 A N 4.498 127.243 122.820 -0.125 0.000 2.399 337 A HA 0.404 4.725 4.320 0.001 0.000 0.327 337 A C 0.052 177.428 177.584 -0.347 0.000 1.367 337 A CA -0.656 51.242 52.037 -0.232 0.000 0.842 337 A CB 0.572 19.466 19.000 -0.177 0.000 1.142 337 A HN 0.289 nan 8.150 nan 0.000 0.495 338 V N 3.138 122.690 119.914 -0.604 0.000 2.479 338 V HA 0.152 4.272 4.120 0.001 0.000 0.281 338 V C 1.218 176.943 176.094 -0.615 0.000 1.031 338 V CA 1.098 63.024 62.300 -0.623 0.000 1.038 338 V CB 0.746 32.061 31.823 -0.846 0.000 0.981 338 V HN 1.016 nan 8.190 nan 0.000 0.478 339 S N 2.045 117.580 115.700 -0.274 0.000 2.603 339 S HA 0.032 4.503 4.470 0.001 0.000 0.232 339 S C 0.903 175.499 174.600 -0.006 0.000 1.016 339 S CA 0.087 58.208 58.200 -0.132 0.000 0.976 339 S CB -0.410 62.747 63.200 -0.071 0.000 0.921 339 S HN 0.923 nan 8.310 nan 0.000 0.516 340 N N 0.346 119.048 118.700 0.003 0.000 2.205 340 N HA 0.265 5.006 4.740 0.001 0.000 0.201 340 N C 0.213 175.789 175.510 0.110 0.000 1.128 340 N CA -0.421 52.673 53.050 0.073 0.000 0.867 340 N CB 0.087 38.624 38.487 0.084 0.000 0.996 340 N HN 0.278 nan 8.380 nan 0.000 0.503 341 M N 1.249 120.925 119.600 0.127 0.000 2.471 341 M HA 0.334 4.815 4.480 0.001 0.000 0.309 341 M C -0.653 175.788 176.300 0.235 0.000 1.186 341 M CA -0.857 54.554 55.300 0.184 0.000 1.008 341 M CB 2.378 35.112 32.600 0.223 0.000 1.551 341 M HN 0.092 nan 8.290 nan 0.000 0.477 342 L N 2.788 124.128 121.223 0.195 0.000 2.296 342 L HA 0.501 4.842 4.340 0.001 0.000 0.286 342 L C -1.355 175.595 176.870 0.133 0.000 1.023 342 L CA -0.963 53.976 54.840 0.165 0.000 0.812 342 L CB 1.122 43.236 42.059 0.092 0.000 1.223 342 L HN 0.575 nan 8.230 nan 0.000 0.421 343 L N 5.461 126.758 121.223 0.122 0.000 2.257 343 L HA 0.437 4.778 4.340 0.001 0.000 0.290 343 L C -0.400 176.467 176.870 -0.004 0.000 1.044 343 L CA 0.283 55.045 54.840 -0.130 0.000 0.810 343 L CB 1.023 42.957 42.059 -0.209 0.000 1.193 343 L HN 0.639 nan 8.230 nan 0.000 0.425 344 E N 6.647 126.767 120.200 -0.133 0.000 2.134 344 E HA 0.395 4.746 4.350 0.001 0.000 0.278 344 E C -1.522 174.990 176.600 -0.147 0.000 0.959 344 E CA -0.439 55.919 56.400 -0.070 0.000 0.783 344 E CB 1.023 30.674 29.700 -0.082 0.000 1.095 344 E HN 0.746 nan 8.360 nan 0.000 0.399 345 I N 2.327 122.836 120.570 -0.101 0.000 2.478 345 I HA 0.288 4.458 4.170 0.001 0.000 0.287 345 I C 0.776 176.700 176.117 -0.322 0.000 1.042 345 I CA -0.862 60.229 61.300 -0.350 0.000 1.067 345 I CB 2.034 39.735 38.000 -0.498 0.000 1.233 345 I HN 0.761 nan 8.210 nan 0.000 0.431 346 G N 4.211 112.815 108.800 -0.328 0.000 2.390 346 G HA2 -0.087 3.874 3.960 0.001 0.000 0.299 346 G HA3 -0.087 3.874 3.960 0.001 0.000 0.299 346 G C 1.049 176.027 174.900 0.130 0.000 1.002 346 G CA 0.869 45.981 45.100 0.021 0.000 0.979 346 G HN 1.601 nan 8.290 nan 0.000 0.513 347 G N -1.909 106.916 108.800 0.041 0.000 2.267 347 G HA2 -0.271 3.690 3.960 0.001 0.000 0.257 347 G HA3 -0.271 3.690 3.960 0.001 0.000 0.257 347 G C 0.607 175.482 174.900 -0.041 0.000 0.998 347 G CA 0.617 45.742 45.100 0.040 0.000 0.620 347 G HN 1.284 nan 8.290 nan 0.000 0.529 348 L N 0.606 121.764 121.223 -0.108 0.000 2.399 348 L HA 0.655 4.996 4.340 0.001 0.000 0.266 348 L C 0.334 177.014 176.870 -0.317 0.000 1.114 348 L CA -0.430 54.228 54.840 -0.303 0.000 0.804 348 L CB 1.044 42.829 42.059 -0.457 0.000 1.146 348 L HN 0.233 nan 8.230 nan 0.000 0.451 349 E N 1.658 121.557 120.200 -0.502 0.000 2.256 349 E HA 0.404 4.755 4.350 0.001 0.000 0.268 349 E C -1.649 174.625 176.600 -0.543 0.000 0.877 349 E CA -0.460 55.736 56.400 -0.340 0.000 0.757 349 E CB 2.046 31.644 29.700 -0.169 0.000 1.183 349 E HN 0.238 nan 8.360 nan 0.000 0.418 350 F N 1.785 121.705 119.950 -0.051 0.000 2.311 350 F HA 0.129 4.656 4.527 0.001 0.000 0.371 350 F C 1.472 177.309 175.800 0.060 0.000 1.083 350 F CA -0.684 57.317 58.000 0.001 0.000 1.113 350 F CB 1.251 40.234 39.000 -0.028 0.000 1.349 350 F HN 0.441 nan 8.300 nan 0.000 0.470 351 S N 1.232 117.035 115.700 0.172 0.000 2.500 351 S HA 0.175 4.646 4.470 0.001 0.000 0.239 351 S C 0.783 175.516 174.600 0.221 0.000 0.989 351 S CA 0.429 58.729 58.200 0.168 0.000 0.951 351 S CB -0.053 63.224 63.200 0.127 0.000 0.759 351 S HN 0.532 nan 8.310 nan 0.000 0.523 352 A N 0.320 123.317 122.820 0.295 0.000 2.457 352 A HA 0.827 5.148 4.320 0.001 0.000 0.283 352 A C -0.192 177.659 177.584 0.444 0.000 1.166 352 A CA -0.178 52.062 52.037 0.338 0.000 0.740 352 A CB 1.065 20.233 19.000 0.280 0.000 1.181 352 A HN 1.041 nan 8.150 nan 0.000 0.446 353 A N 4.051 127.075 122.820 0.340 0.000 3.464 353 A HA 0.607 4.927 4.320 0.001 0.000 0.243 353 A C -2.966 174.761 177.584 0.238 0.000 1.100 353 A CA -0.867 51.325 52.037 0.259 0.000 0.957 353 A CB 0.262 19.405 19.000 0.238 0.000 1.340 353 A HN 0.524 nan 8.150 nan 0.000 0.645 354 P HA 0.324 nan 4.420 nan 0.000 0.265 354 P C -0.709 176.564 177.300 -0.045 0.000 1.193 354 P CA 0.657 63.696 63.100 -0.101 0.000 0.765 354 P CB 0.090 31.687 31.700 -0.172 0.000 0.823 355 F N 0.094 119.983 119.950 -0.102 0.000 2.588 355 F HA 0.790 5.318 4.527 0.001 0.000 0.314 355 F C -0.588 175.138 175.800 -0.124 0.000 1.069 355 F CA -1.190 56.755 58.000 -0.090 0.000 0.931 355 F CB 1.711 40.544 39.000 -0.279 0.000 1.260 355 F HN 0.432 nan 8.300 nan 0.000 0.465 356 S N 0.289 116.084 115.700 0.158 0.000 2.570 356 S HA 0.937 5.407 4.470 0.001 0.000 0.270 356 S C -0.787 173.785 174.600 -0.047 0.000 1.149 356 S CA -0.173 58.051 58.200 0.040 0.000 0.837 356 S CB 1.454 64.731 63.200 0.130 0.000 1.124 356 S HN 1.539 nan 8.310 nan 0.000 0.465 357 G N -0.116 108.625 108.800 -0.098 0.000 3.341 357 G HA2 0.693 4.653 3.960 0.001 0.000 0.186 357 G HA3 0.693 4.653 3.960 0.001 0.000 0.186 357 G C -1.516 173.439 174.900 0.091 0.000 1.430 357 G CA -0.095 44.908 45.100 -0.161 0.000 0.961 357 G HN 1.243 nan 8.290 nan 0.000 0.767 358 W N -1.312 120.003 121.300 0.025 0.000 3.083 358 W HA 0.818 5.478 4.660 0.001 0.000 0.333 358 W C -1.743 174.807 176.519 0.050 0.000 1.217 358 W CA -2.056 55.315 57.345 0.044 0.000 1.170 358 W CB 0.497 30.021 29.460 0.108 0.000 1.437 358 W HN 0.363 nan 8.180 nan 0.000 0.557 359 Y N 2.690 123.203 120.300 0.356 0.000 2.336 359 Y HA 0.313 4.864 4.550 0.001 0.000 0.331 359 Y C 0.770 176.758 175.900 0.147 0.000 1.211 359 Y CA -0.918 57.277 58.100 0.159 0.000 1.346 359 Y CB 1.188 39.660 38.460 0.020 0.000 1.271 359 Y HN 0.464 nan 8.280 nan 0.000 0.538 360 M N 2.096 121.867 119.600 0.285 0.000 2.180 360 M HA 0.213 4.694 4.480 0.001 0.000 0.350 360 M C 0.980 177.274 176.300 -0.010 0.000 1.125 360 M CA -0.314 55.072 55.300 0.144 0.000 1.031 360 M CB 1.164 33.827 32.600 0.104 0.000 1.623 360 M HN 0.819 nan 8.290 nan 0.000 0.451 361 S N 1.364 117.022 115.700 -0.070 0.000 2.400 361 S HA -0.226 4.245 4.470 0.001 0.000 0.234 361 S C 1.475 175.918 174.600 -0.261 0.000 1.049 361 S CA 2.307 60.381 58.200 -0.209 0.000 1.039 361 S CB -1.502 61.624 63.200 -0.124 0.000 0.856 361 S HN 0.933 nan 8.310 nan 0.000 0.465 362 T N 0.736 115.163 114.554 -0.211 0.000 2.788 362 T HA -0.076 4.274 4.350 0.001 0.000 0.268 362 T C 1.596 176.124 174.700 -0.286 0.000 1.044 362 T CA 1.287 63.214 62.100 -0.287 0.000 1.139 362 T CB -0.660 68.002 68.868 -0.343 0.000 0.867 362 T HN 0.601 nan 8.240 nan 0.000 0.454 363 E N 0.957 121.011 120.200 -0.243 0.000 2.130 363 E HA -0.082 4.268 4.350 0.001 0.000 0.196 363 E C 2.068 178.389 176.600 -0.465 0.000 0.998 363 E CA 1.387 57.644 56.400 -0.239 0.000 0.806 363 E CB -0.342 29.333 29.700 -0.041 0.000 0.738 363 E HN 0.607 nan 8.360 nan 0.000 0.459 364 I N -0.088 120.075 120.570 -0.679 0.000 2.499 364 I HA -0.025 4.145 4.170 0.001 0.000 0.243 364 I C 2.600 178.339 176.117 -0.630 0.000 1.085 364 I CA 0.782 61.518 61.300 -0.941 0.000 1.422 364 I CB -0.568 36.758 38.000 -1.124 0.000 1.165 364 I HN 0.098 nan 8.210 nan 0.000 0.440 365 G N 0.493 109.023 108.800 -0.449 0.000 2.422 365 G HA2 -0.175 3.786 3.960 0.001 0.000 0.218 365 G HA3 -0.175 3.786 3.960 0.001 0.000 0.218 365 G C 1.589 176.358 174.900 -0.219 0.000 1.146 365 G CA 1.535 46.467 45.100 -0.281 0.000 0.769 365 G HN 0.291 nan 8.290 nan 0.000 0.547 366 T N 0.250 114.656 114.554 -0.246 0.000 2.967 366 T HA 0.085 4.436 4.350 0.001 0.000 0.238 366 T C 2.505 177.094 174.700 -0.186 0.000 1.024 366 T CA 0.375 62.356 62.100 -0.198 0.000 1.234 366 T CB -0.037 68.698 68.868 -0.222 0.000 0.931 366 T HN -0.006 nan 8.240 nan 0.000 0.417 367 R N 2.119 122.492 120.500 -0.211 0.000 2.096 367 R HA 0.010 4.350 4.340 0.001 0.000 0.229 367 R C 2.202 178.389 176.300 -0.189 0.000 1.134 367 R CA 1.425 57.416 56.100 -0.183 0.000 0.917 367 R CB -1.435 28.761 30.300 -0.174 0.000 0.832 367 R HN 0.356 nan 8.270 nan 0.000 0.430 368 N N 0.853 119.386 118.700 -0.278 0.000 2.069 368 N HA -0.123 4.618 4.740 0.001 0.000 0.191 368 N C 1.992 177.412 175.510 -0.150 0.000 1.031 368 N CA 1.199 54.079 53.050 -0.284 0.000 0.852 368 N CB -0.314 37.692 38.487 -0.802 0.000 1.018 368 N HN 0.213 nan 8.380 nan 0.000 0.423 369 L N -0.883 120.196 121.223 -0.239 0.000 2.354 369 L HA 0.085 4.426 4.340 0.001 0.000 0.212 369 L C 1.465 178.352 176.870 0.029 0.000 1.091 369 L CA 0.328 55.129 54.840 -0.066 0.000 0.828 369 L CB 0.225 42.205 42.059 -0.132 0.000 0.973 369 L HN 0.165 nan 8.230 nan 0.000 0.461 370 C N -1.507 117.774 119.300 -0.031 0.000 3.019 370 C HA 0.157 4.617 4.460 0.001 0.000 0.295 370 C C 0.785 175.771 174.990 -0.007 0.000 1.256 370 C CA -0.865 58.151 59.018 -0.004 0.000 1.706 370 C CB -0.285 27.437 27.740 -0.031 0.000 2.153 370 C HN 0.302 nan 8.230 nan 0.000 0.618 371 D N 1.974 122.349 120.400 -0.042 0.000 2.449 371 D HA 0.071 4.712 4.640 0.001 0.000 0.236 371 D C -1.416 174.898 176.300 0.024 0.000 1.149 371 D CA -1.029 52.951 54.000 -0.034 0.000 0.878 371 D CB 0.551 41.242 40.800 -0.182 0.000 1.198 371 D HN 0.105 nan 8.370 nan 0.000 0.446 372 P HA -0.149 nan 4.420 nan 0.000 0.215 372 P C 0.803 178.202 177.300 0.164 0.000 1.157 372 P CA 1.394 64.582 63.100 0.147 0.000 0.868 372 P CB -0.025 31.772 31.700 0.162 0.000 0.788 373 H N -2.029 117.052 119.070 0.018 0.000 2.566 373 H HA 0.286 4.843 4.556 0.001 0.000 0.280 373 H C 0.800 176.138 175.328 0.017 0.000 1.042 373 H CA 0.196 56.254 56.048 0.015 0.000 1.168 373 H CB -0.287 29.485 29.762 0.015 0.000 1.340 373 H HN 0.008 nan 8.280 nan 0.000 0.597 374 R N -0.434 119.971 120.500 -0.158 0.000 3.322 374 R HA 0.176 4.516 4.340 0.001 0.000 0.189 374 R C 1.133 177.408 176.300 -0.043 0.000 1.510 374 R CA -0.836 55.192 56.100 -0.119 0.000 0.827 374 R CB -0.782 29.455 30.300 -0.105 0.000 1.856 374 R HN 0.086 nan 8.270 nan 0.000 0.497 375 Y N 1.677 121.995 120.300 0.029 0.000 2.256 375 Y HA -0.130 4.421 4.550 0.001 0.000 0.288 375 Y C 0.831 176.756 175.900 0.042 0.000 1.155 375 Y CA 1.715 59.848 58.100 0.056 0.000 1.203 375 Y CB -0.203 38.331 38.460 0.123 0.000 0.980 375 Y HN 0.572 nan 8.280 nan 0.000 0.530 376 N N 0.804 119.601 118.700 0.161 0.000 2.642 376 N HA -0.219 4.521 4.740 0.001 0.000 0.269 376 N C 0.312 175.902 175.510 0.134 0.000 1.073 376 N CA 0.394 53.513 53.050 0.115 0.000 0.748 376 N CB -0.986 37.552 38.487 0.085 0.000 0.894 376 N HN 0.635 nan 8.380 nan 0.000 0.548 377 I N -2.599 118.058 120.570 0.145 0.000 3.883 377 I HA 0.039 4.209 4.170 0.001 0.000 0.326 377 I C 1.860 178.059 176.117 0.137 0.000 1.283 377 I CA -0.526 60.855 61.300 0.136 0.000 1.161 377 I CB -0.016 38.067 38.000 0.138 0.000 1.012 377 I HN 0.134 nan 8.210 nan 0.000 0.421 378 L N 1.971 123.285 121.223 0.152 0.000 1.976 378 L HA -0.296 4.045 4.340 0.001 0.000 0.223 378 L C 2.673 179.731 176.870 0.314 0.000 1.081 378 L CA 2.438 57.401 54.840 0.205 0.000 0.784 378 L CB -1.021 41.136 42.059 0.164 0.000 0.896 378 L HN 0.539 nan 8.230 nan 0.000 0.438 379 E N -0.917 119.479 120.200 0.326 0.000 2.085 379 E HA -0.263 4.087 4.350 0.001 0.000 0.194 379 E C 1.749 178.375 176.600 0.042 0.000 0.994 379 E CA 1.676 58.196 56.400 0.200 0.000 0.801 379 E CB -0.070 29.681 29.700 0.084 0.000 0.743 379 E HN 0.597 nan 8.360 nan 0.000 0.453 380 D N -0.326 120.098 120.400 0.041 0.000 2.116 380 D HA -0.189 4.451 4.640 0.001 0.000 0.193 380 D C 1.981 178.251 176.300 -0.049 0.000 0.998 380 D CA 1.856 55.843 54.000 -0.021 0.000 0.836 380 D CB 0.017 40.816 40.800 -0.001 0.000 0.951 380 D HN 0.075 nan 8.370 nan 0.000 0.449 381 V N 0.871 120.806 119.914 0.035 0.000 2.343 381 V HA -0.244 3.876 4.120 0.001 0.000 0.247 381 V C 2.406 178.536 176.094 0.060 0.000 1.051 381 V CA 1.727 64.080 62.300 0.087 0.000 1.036 381 V CB -0.889 31.067 31.823 0.222 0.000 0.654 381 V HN 0.251 nan 8.190 nan 0.000 0.451 382 A N 0.088 122.974 122.820 0.110 0.000 1.917 382 A HA -0.195 4.126 4.320 0.001 0.000 0.219 382 A C 2.391 179.929 177.584 -0.078 0.000 1.182 382 A CA 2.373 54.471 52.037 0.102 0.000 0.633 382 A CB -0.769 18.345 19.000 0.191 0.000 0.819 382 A HN 0.364 nan 8.150 nan 0.000 0.448 383 V N -1.044 118.774 119.914 -0.160 0.000 2.358 383 V HA -0.295 3.826 4.120 0.001 0.000 0.246 383 V C 2.609 178.514 176.094 -0.317 0.000 1.047 383 V CA 1.910 64.077 62.300 -0.222 0.000 1.035 383 V CB -1.165 30.533 31.823 -0.208 0.000 0.658 383 V HN 0.709 nan 8.190 nan 0.000 0.452 384 C N -0.250 118.768 119.300 -0.470 0.000 2.425 384 C HA -0.131 4.330 4.460 0.001 0.000 0.277 384 C C 2.744 177.192 174.990 -0.904 0.000 1.280 384 C CA 1.041 59.483 59.018 -0.960 0.000 1.744 384 C CB -0.965 25.792 27.740 -1.639 0.000 1.989 384 C HN 0.527 nan 8.230 nan 0.000 0.491 385 M N -0.071 119.288 119.600 -0.402 0.000 2.562 385 M HA 0.007 4.488 4.480 0.001 0.000 0.257 385 M C 0.533 176.802 176.300 -0.053 0.000 1.099 385 M CA 1.013 56.301 55.300 -0.020 0.000 1.099 385 M CB -0.340 32.358 32.600 0.163 0.000 1.427 385 M HN 0.259 nan 8.290 nan 0.000 0.489 386 D N 1.669 121.985 120.400 -0.140 0.000 2.718 386 D HA -0.143 4.497 4.640 0.001 0.000 0.242 386 D C -0.971 175.293 176.300 -0.059 0.000 1.123 386 D CA 0.453 54.387 54.000 -0.111 0.000 0.690 386 D CB -1.058 39.687 40.800 -0.091 0.000 1.059 386 D HN 0.279 nan 8.370 nan 0.000 0.429 387 L N -0.167 121.022 121.223 -0.056 0.000 2.400 387 L HA 0.412 4.753 4.340 0.001 0.000 0.264 387 L C 0.998 177.814 176.870 -0.089 0.000 1.061 387 L CA -0.904 53.930 54.840 -0.010 0.000 0.799 387 L CB 0.589 42.707 42.059 0.099 0.000 1.240 387 L HN -0.045 nan 8.230 nan 0.000 0.461 388 D N 0.060 120.437 120.400 -0.037 0.000 2.470 388 D HA 0.028 4.669 4.640 0.001 0.000 0.226 388 D C 1.120 177.268 176.300 -0.252 0.000 1.196 388 D CA -0.109 53.841 54.000 -0.083 0.000 0.979 388 D CB 0.544 41.353 40.800 0.015 0.000 1.059 388 D HN 0.567 nan 8.370 nan 0.000 0.515 389 T N 0.137 114.378 114.554 -0.522 0.000 3.118 389 T HA -0.028 4.323 4.350 0.001 0.000 0.260 389 T C 1.768 176.194 174.700 -0.457 0.000 1.139 389 T CA 0.302 61.791 62.100 -1.019 0.000 1.085 389 T CB 0.089 68.354 68.868 -1.005 0.000 0.934 389 T HN 0.236 nan 8.240 nan 0.000 0.518 390 R N 0.847 121.222 120.500 -0.208 0.000 2.082 390 R HA 0.024 4.365 4.340 0.001 0.000 0.234 390 R C 1.513 177.831 176.300 0.030 0.000 1.136 390 R CA 1.449 57.506 56.100 -0.072 0.000 0.935 390 R CB -0.600 29.674 30.300 -0.044 0.000 0.842 390 R HN 0.387 nan 8.270 nan 0.000 0.430 391 T N -1.247 113.360 114.554 0.090 0.000 2.940 391 T HA 0.136 4.487 4.350 0.001 0.000 0.288 391 T C 1.204 176.079 174.700 0.292 0.000 1.033 391 T CA -0.428 61.764 62.100 0.154 0.000 1.033 391 T CB 1.828 70.755 68.868 0.098 0.000 1.079 391 T HN 0.346 nan 8.240 nan 0.000 0.496 392 T N -0.196 114.484 114.554 0.210 0.000 2.985 392 T HA -0.036 4.314 4.350 0.001 0.000 0.266 392 T C 2.045 176.792 174.700 0.079 0.000 1.076 392 T CA 1.177 63.365 62.100 0.146 0.000 1.135 392 T CB -0.539 68.366 68.868 0.061 0.000 0.890 392 T HN 0.602 nan 8.240 nan 0.000 0.480 393 S N 2.148 117.901 115.700 0.088 0.000 2.515 393 S HA -0.046 4.425 4.470 0.001 0.000 0.231 393 S C 2.047 176.692 174.600 0.075 0.000 0.987 393 S CA 0.711 58.947 58.200 0.060 0.000 0.936 393 S CB -0.787 62.443 63.200 0.050 0.000 0.766 393 S HN 0.714 nan 8.310 nan 0.000 0.528 394 S N 1.523 117.303 115.700 0.134 0.000 2.603 394 S HA 0.262 4.733 4.470 0.001 0.000 0.220 394 S C 0.898 175.583 174.600 0.142 0.000 0.967 394 S CA -0.089 58.199 58.200 0.146 0.000 0.920 394 S CB -1.031 62.286 63.200 0.195 0.000 0.773 394 S HN 0.581 nan 8.310 nan 0.000 0.529 395 L N 0.855 122.121 121.223 0.072 0.000 3.858 395 L HA -0.200 4.140 4.340 0.001 0.000 0.425 395 L C 1.785 178.646 176.870 -0.014 0.000 1.177 395 L CA 0.784 55.607 54.840 -0.029 0.000 0.943 395 L CB -2.363 39.690 42.059 -0.009 0.000 1.861 395 L HN 0.745 nan 8.230 nan 0.000 0.985 396 W N -0.038 121.272 121.300 0.017 0.000 2.342 396 W HA -0.165 4.496 4.660 0.001 0.000 0.297 396 W C 1.760 178.295 176.519 0.025 0.000 1.213 396 W CA 1.337 58.694 57.345 0.020 0.000 1.251 396 W CB -0.729 28.739 29.460 0.013 0.000 1.136 396 W HN 0.285 nan 8.180 nan 0.000 0.526 397 K N 1.065 120.990 120.400 -0.791 0.000 2.026 397 K HA -0.169 4.152 4.320 0.001 0.000 0.208 397 K C 1.545 177.993 176.600 -0.253 0.000 1.048 397 K CA 2.397 58.269 56.287 -0.692 0.000 0.929 397 K CB -0.399 31.562 32.500 -0.899 0.000 0.713 397 K HN 0.047 nan 8.250 nan 0.000 0.439 398 D N 0.625 120.902 120.400 -0.205 0.000 2.117 398 D HA -0.122 4.518 4.640 0.001 0.000 0.197 398 D C 1.713 178.000 176.300 -0.021 0.000 0.987 398 D CA 1.196 55.139 54.000 -0.096 0.000 0.829 398 D CB 0.024 40.780 40.800 -0.074 0.000 0.961 398 D HN 0.120 nan 8.370 nan 0.000 0.460 399 K N 0.395 120.805 120.400 0.017 0.000 2.026 399 K HA -0.021 4.299 4.320 0.001 0.000 0.208 399 K C 2.194 178.858 176.600 0.106 0.000 1.048 399 K CA 1.146 57.478 56.287 0.075 0.000 0.929 399 K CB -0.148 32.419 32.500 0.111 0.000 0.713 399 K HN 0.093 nan 8.250 nan 0.000 0.439 400 A N 1.395 124.295 122.820 0.134 0.000 1.930 400 A HA -0.085 4.236 4.320 0.001 0.000 0.217 400 A C 2.336 180.000 177.584 0.134 0.000 1.175 400 A CA 1.729 53.873 52.037 0.177 0.000 0.627 400 A CB -0.588 18.552 19.000 0.232 0.000 0.815 400 A HN 0.336 nan 8.150 nan 0.000 0.443 401 A N -0.509 122.348 122.820 0.062 0.000 1.902 401 A HA -0.007 4.314 4.320 0.001 0.000 0.217 401 A C 2.212 179.810 177.584 0.023 0.000 1.181 401 A CA 1.761 53.811 52.037 0.021 0.000 0.623 401 A CB -0.913 18.064 19.000 -0.038 0.000 0.818 401 A HN 0.376 nan 8.150 nan 0.000 0.443 402 V N 0.459 120.395 119.914 0.036 0.000 2.343 402 V HA -0.207 3.913 4.120 0.001 0.000 0.247 402 V C 2.510 178.647 176.094 0.071 0.000 1.051 402 V CA 2.127 64.455 62.300 0.047 0.000 1.036 402 V CB -0.685 31.173 31.823 0.058 0.000 0.654 402 V HN 0.533 nan 8.190 nan 0.000 0.451 403 E N -0.136 120.133 120.200 0.114 0.000 2.150 403 E HA -0.090 4.260 4.350 0.001 0.000 0.193 403 E C 2.127 178.799 176.600 0.120 0.000 0.985 403 E CA 1.057 57.562 56.400 0.174 0.000 0.814 403 E CB -0.223 29.572 29.700 0.158 0.000 0.752 403 E HN 0.579 nan 8.360 nan 0.000 0.466 404 I N 1.247 121.894 120.570 0.129 0.000 2.252 404 I HA -0.253 3.918 4.170 0.001 0.000 0.245 404 I C 1.662 177.762 176.117 -0.029 0.000 1.102 404 I CA 0.973 62.343 61.300 0.116 0.000 1.385 404 I CB -0.259 37.842 38.000 0.169 0.000 1.064 404 I HN 0.023 nan 8.210 nan 0.000 0.414 405 N N 0.500 119.175 118.700 -0.042 0.000 2.309 405 N HA -0.140 4.601 4.740 0.001 0.000 0.182 405 N C 1.628 177.088 175.510 -0.083 0.000 1.018 405 N CA 0.731 53.727 53.050 -0.088 0.000 0.876 405 N CB -0.061 38.380 38.487 -0.076 0.000 0.972 405 N HN 0.161 nan 8.380 nan 0.000 0.434 406 L N 0.621 121.801 121.223 -0.072 0.000 2.023 406 L HA 0.054 4.394 4.340 0.001 0.000 0.205 406 L C 2.051 178.798 176.870 -0.205 0.000 1.073 406 L CA 1.340 56.107 54.840 -0.121 0.000 0.745 406 L CB -0.861 41.119 42.059 -0.133 0.000 0.900 406 L HN 0.129 nan 8.230 nan 0.000 0.435 407 A N -1.106 121.534 122.820 -0.299 0.000 1.948 407 A HA -0.206 4.115 4.320 0.001 0.000 0.220 407 A C 2.274 179.760 177.584 -0.163 0.000 1.177 407 A CA 2.205 54.005 52.037 -0.394 0.000 0.636 407 A CB -1.181 17.289 19.000 -0.883 0.000 0.815 407 A HN 0.330 nan 8.150 nan 0.000 0.449 408 V N -0.177 119.656 119.914 -0.135 0.000 2.261 408 V HA -0.260 3.861 4.120 0.001 0.000 0.246 408 V C 2.566 178.638 176.094 -0.036 0.000 1.047 408 V CA 2.042 64.289 62.300 -0.088 0.000 1.015 408 V CB -0.738 30.941 31.823 -0.239 0.000 0.642 408 V HN 0.591 nan 8.190 nan 0.000 0.446 409 L N -0.517 120.663 121.223 -0.071 0.000 2.079 409 L HA -0.236 4.105 4.340 0.001 0.000 0.210 409 L C 2.573 179.468 176.870 0.042 0.000 1.081 409 L CA 2.073 56.900 54.840 -0.021 0.000 0.752 409 L CB -0.760 41.284 42.059 -0.026 0.000 0.896 409 L HN 0.508 nan 8.230 nan 0.000 0.433 410 H N -0.435 118.584 119.070 -0.085 0.000 2.299 410 H HA -0.119 4.438 4.556 0.001 0.000 0.302 410 H C 2.377 177.686 175.328 -0.030 0.000 1.078 410 H CA 1.924 57.916 56.048 -0.095 0.000 1.323 410 H CB -0.040 29.603 29.762 -0.197 0.000 1.381 410 H HN 0.121 nan 8.280 nan 0.000 0.498 411 S N -0.161 115.500 115.700 -0.066 0.000 2.353 411 S HA -0.143 4.327 4.470 0.001 0.000 0.222 411 S C 1.928 176.520 174.600 -0.014 0.000 1.035 411 S CA 1.427 59.582 58.200 -0.075 0.000 1.025 411 S CB -0.524 62.723 63.200 0.079 0.000 0.902 411 S HN 0.340 nan 8.310 nan 0.000 0.440 412 F N 1.805 121.695 119.950 -0.100 0.000 2.293 412 F HA -0.021 4.507 4.527 0.001 0.000 0.300 412 F C 2.561 178.309 175.800 -0.086 0.000 1.086 412 F CA 0.769 58.733 58.000 -0.059 0.000 1.375 412 F CB -0.455 38.537 39.000 -0.014 0.000 1.045 412 F HN 0.240 nan 8.300 nan 0.000 0.516 413 Q N -1.000 118.831 119.800 0.051 0.000 2.212 413 Q HA -0.088 4.253 4.340 0.001 0.000 0.199 413 Q C 2.091 178.026 176.000 -0.108 0.000 0.950 413 Q CA 0.612 56.398 55.803 -0.028 0.000 0.863 413 Q CB -0.194 28.530 28.738 -0.023 0.000 0.944 413 Q HN 0.325 nan 8.270 nan 0.000 0.465 414 L N 0.090 121.186 121.223 -0.212 0.000 2.179 414 L HA 0.055 4.396 4.340 0.001 0.000 0.208 414 L C 1.793 178.567 176.870 -0.161 0.000 1.096 414 L CA 1.397 56.093 54.840 -0.240 0.000 0.779 414 L CB -0.243 41.559 42.059 -0.428 0.000 0.922 414 L HN 0.064 nan 8.230 nan 0.000 0.443 415 A N -1.368 121.357 122.820 -0.158 0.000 2.251 415 A HA 0.086 4.407 4.320 0.001 0.000 0.209 415 A C 0.672 178.183 177.584 -0.120 0.000 1.187 415 A CA -0.024 51.925 52.037 -0.146 0.000 0.823 415 A CB -0.268 18.612 19.000 -0.200 0.000 0.846 415 A HN 0.347 nan 8.150 nan 0.000 0.486 416 K N -1.078 119.264 120.400 -0.096 0.000 3.125 416 K HA -0.123 4.197 4.320 0.001 0.000 0.268 416 K C -0.596 175.962 176.600 -0.070 0.000 1.078 416 K CA 0.809 57.052 56.287 -0.075 0.000 0.775 416 K CB -2.815 29.642 32.500 -0.070 0.000 1.253 416 K HN 0.315 nan 8.250 nan 0.000 0.486 417 V N 1.135 121.013 119.914 -0.059 0.000 2.448 417 V HA 0.199 4.320 4.120 0.001 0.000 0.295 417 V C 0.801 176.952 176.094 0.096 0.000 1.025 417 V CA -0.749 61.538 62.300 -0.021 0.000 0.859 417 V CB 2.005 33.741 31.823 -0.145 0.000 0.988 417 V HN 0.279 nan 8.190 nan 0.000 0.431 418 T N 6.103 120.677 114.554 0.033 0.000 2.905 418 T HA 0.376 4.727 4.350 0.001 0.000 0.299 418 T C -0.277 174.495 174.700 0.119 0.000 1.024 418 T CA 0.902 62.960 62.100 -0.071 0.000 1.151 418 T CB 0.038 68.700 68.868 -0.344 0.000 0.987 418 T HN 0.567 nan 8.240 nan 0.000 0.535 419 I N 2.723 123.315 120.570 0.036 0.000 2.785 419 I HA 0.553 4.724 4.170 0.001 0.000 0.293 419 I C -1.529 174.641 176.117 0.088 0.000 1.446 419 I CA -0.786 60.590 61.300 0.126 0.000 1.028 419 I CB 1.835 39.863 38.000 0.047 0.000 1.349 419 I HN 0.462 nan 8.210 nan 0.000 0.438 420 V N 6.103 126.129 119.914 0.186 0.000 2.588 420 V HA 0.565 4.686 4.120 0.001 0.000 0.304 420 V C -1.076 175.089 176.094 0.118 0.000 1.042 420 V CA -0.246 62.157 62.300 0.171 0.000 0.877 420 V CB 2.102 34.113 31.823 0.314 0.000 0.996 420 V HN 0.881 nan 8.190 nan 0.000 0.425 421 D N 4.001 124.447 120.400 0.077 0.000 2.354 421 D HA 0.182 4.822 4.640 0.001 0.000 0.247 421 D C 1.258 177.585 176.300 0.046 0.000 1.138 421 D CA 0.117 54.155 54.000 0.064 0.000 0.958 421 D CB 0.449 41.253 40.800 0.006 0.000 1.144 421 D HN 0.723 nan 8.370 nan 0.000 0.458 422 H N -0.241 118.758 119.070 -0.120 0.000 2.489 422 H HA -0.141 4.415 4.556 0.001 0.000 0.293 422 H C 0.985 176.229 175.328 -0.139 0.000 1.066 422 H CA 1.352 57.303 56.048 -0.163 0.000 1.305 422 H CB -0.598 29.008 29.762 -0.259 0.000 1.386 422 H HN 0.506 nan 8.280 nan 0.000 0.551 423 H N 1.160 120.033 119.070 -0.328 0.000 2.307 423 H HA 0.165 4.722 4.556 0.001 0.000 0.303 423 H C 2.551 177.851 175.328 -0.046 0.000 1.073 423 H CA 1.389 57.322 56.048 -0.191 0.000 1.338 423 H CB -0.423 29.193 29.762 -0.244 0.000 1.389 423 H HN 0.490 nan 8.280 nan 0.000 0.503 424 A N 1.478 124.355 122.820 0.095 0.000 1.883 424 A HA -0.134 4.187 4.320 0.001 0.000 0.217 424 A C 2.706 180.363 177.584 0.122 0.000 1.186 424 A CA 2.030 54.126 52.037 0.098 0.000 0.624 424 A CB -0.962 18.091 19.000 0.088 0.000 0.822 424 A HN 0.441 nan 8.150 nan 0.000 0.444 425 A N -0.165 122.728 122.820 0.123 0.000 1.865 425 A HA -0.178 4.143 4.320 0.001 0.000 0.217 425 A C 2.489 180.171 177.584 0.164 0.000 1.191 425 A CA 3.010 55.136 52.037 0.148 0.000 0.623 425 A CB -1.629 17.447 19.000 0.126 0.000 0.826 425 A HN 0.844 nan 8.150 nan 0.000 0.444 426 T N -2.383 112.252 114.554 0.135 0.000 2.833 426 T HA -0.090 4.261 4.350 0.001 0.000 0.269 426 T C 1.663 176.493 174.700 0.216 0.000 1.054 426 T CA 1.461 63.665 62.100 0.173 0.000 1.135 426 T CB -0.787 68.149 68.868 0.113 0.000 0.869 426 T HN 0.090 nan 8.240 nan 0.000 0.466 427 V N 2.753 122.767 119.914 0.167 0.000 2.343 427 V HA -0.162 3.959 4.120 0.001 0.000 0.247 427 V C 3.198 179.380 176.094 0.146 0.000 1.051 427 V CA 1.977 64.363 62.300 0.143 0.000 1.036 427 V CB -1.044 30.843 31.823 0.108 0.000 0.654 427 V HN 0.792 nan 8.190 nan 0.000 0.451 428 S N -0.209 115.588 115.700 0.162 0.000 2.402 428 S HA -0.199 4.272 4.470 0.001 0.000 0.229 428 S C 1.951 176.666 174.600 0.192 0.000 1.021 428 S CA 1.390 59.683 58.200 0.156 0.000 0.974 428 S CB -0.677 62.619 63.200 0.160 0.000 0.800 428 S HN 0.501 nan 8.310 nan 0.000 0.484 429 F N 1.921 121.933 119.950 0.104 0.000 2.206 429 F HA 0.145 4.673 4.527 0.001 0.000 0.298 429 F C 2.258 178.140 175.800 0.137 0.000 1.090 429 F CA 1.082 59.159 58.000 0.129 0.000 1.323 429 F CB -0.292 38.765 39.000 0.095 0.000 1.028 429 F HN 0.112 nan 8.300 nan 0.000 0.492 430 M N 0.179 119.861 119.600 0.137 0.000 2.117 430 M HA -0.185 4.296 4.480 0.001 0.000 0.262 430 M C 2.229 178.511 176.300 -0.030 0.000 1.065 430 M CA 1.547 56.877 55.300 0.049 0.000 1.114 430 M CB -1.257 31.409 32.600 0.110 0.000 1.361 430 M HN 0.055 nan 8.290 nan 0.000 0.408 431 K N -0.265 120.144 120.400 0.015 0.000 2.057 431 K HA -0.216 4.105 4.320 0.001 0.000 0.207 431 K C 1.999 178.583 176.600 -0.028 0.000 1.049 431 K CA 1.876 58.167 56.287 0.007 0.000 0.931 431 K CB -0.725 31.802 32.500 0.044 0.000 0.714 431 K HN 0.389 nan 8.250 nan 0.000 0.440 432 H N 0.063 119.045 119.070 -0.147 0.000 2.353 432 H HA 0.000 4.557 4.556 0.001 0.000 0.300 432 H C 1.748 176.916 175.328 -0.267 0.000 1.090 432 H CA 2.154 58.084 56.048 -0.195 0.000 1.327 432 H CB -0.241 29.365 29.762 -0.260 0.000 1.383 432 H HN 0.188 nan 8.280 nan 0.000 0.508 433 L N -0.113 120.797 121.223 -0.521 0.000 2.042 433 L HA -0.193 4.148 4.340 0.001 0.000 0.210 433 L C 2.359 179.060 176.870 -0.283 0.000 1.076 433 L CA 1.719 56.281 54.840 -0.464 0.000 0.749 433 L CB -0.485 41.384 42.059 -0.317 0.000 0.893 433 L HN 0.384 nan 8.230 nan 0.000 0.432 434 D N 0.082 120.369 120.400 -0.188 0.000 2.084 434 D HA -0.192 4.448 4.640 0.001 0.000 0.194 434 D C 1.886 178.115 176.300 -0.118 0.000 0.990 434 D CA 1.383 55.315 54.000 -0.113 0.000 0.826 434 D CB -0.053 40.709 40.800 -0.064 0.000 0.971 434 D HN 0.158 nan 8.370 nan 0.000 0.453 435 N N 0.704 119.328 118.700 -0.127 0.000 2.061 435 N HA -0.146 4.594 4.740 0.001 0.000 0.193 435 N C 1.654 177.094 175.510 -0.116 0.000 1.030 435 N CA 0.944 53.943 53.050 -0.085 0.000 0.856 435 N CB -0.368 38.104 38.487 -0.024 0.000 1.023 435 N HN 0.370 nan 8.380 nan 0.000 0.424 436 E N 0.630 120.679 120.200 -0.252 0.000 2.204 436 E HA -0.167 4.184 4.350 0.001 0.000 0.194 436 E C 1.886 178.404 176.600 -0.138 0.000 0.989 436 E CA 0.583 56.842 56.400 -0.235 0.000 0.824 436 E CB -0.097 29.350 29.700 -0.421 0.000 0.756 436 E HN 0.360 nan 8.360 nan 0.000 0.477 437 Q N 1.498 121.222 119.800 -0.127 0.000 2.084 437 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 437 Q C 1.722 177.689 176.000 -0.054 0.000 0.978 437 Q CA 1.751 57.510 55.803 -0.074 0.000 0.844 437 Q CB 0.045 28.744 28.738 -0.065 0.000 0.898 437 Q HN 0.129 nan 8.270 nan 0.000 0.426 438 K N -0.563 119.806 120.400 -0.052 0.000 2.076 438 K HA 0.067 4.388 4.320 0.001 0.000 0.204 438 K C 2.055 178.639 176.600 -0.027 0.000 1.051 438 K CA 0.947 57.213 56.287 -0.035 0.000 0.949 438 K CB -0.275 32.209 32.500 -0.028 0.000 0.726 438 K HN 0.229 nan 8.250 nan 0.000 0.443 439 A N 1.726 124.532 122.820 -0.023 0.000 1.828 439 A HA -0.137 4.183 4.320 0.001 0.000 0.215 439 A C 1.874 179.452 177.584 -0.009 0.000 1.203 439 A CA 1.511 53.547 52.037 -0.001 0.000 0.614 439 A CB -0.277 18.739 19.000 0.027 0.000 0.844 439 A HN 0.188 nan 8.150 nan 0.000 0.445 440 R N -1.954 118.531 120.500 -0.026 0.000 2.437 440 R HA 0.296 4.637 4.340 0.001 0.000 0.257 440 R C 0.826 177.110 176.300 -0.026 0.000 0.927 440 R CA 0.498 56.586 56.100 -0.021 0.000 1.078 440 R CB 0.491 30.779 30.300 -0.020 0.000 1.161 440 R HN 0.789 nan 8.270 nan 0.000 0.529 441 G N 0.812 109.590 108.800 -0.037 0.000 2.160 441 G HA2 -0.181 3.779 3.960 0.001 0.000 0.244 441 G HA3 -0.181 3.779 3.960 0.001 0.000 0.244 441 G C 0.193 175.084 174.900 -0.015 0.000 1.022 441 G CA 0.003 45.078 45.100 -0.043 0.000 0.741 441 G HN 0.717 nan 8.290 nan 0.000 0.508 442 G N -2.453 106.348 108.800 0.001 0.000 2.352 442 G HA2 0.538 4.498 3.960 0.001 0.000 0.302 442 G HA3 0.538 4.498 3.960 0.001 0.000 0.302 442 G C -0.754 174.173 174.900 0.046 0.000 1.370 442 G CA 0.375 45.510 45.100 0.058 0.000 0.918 442 G HN 1.984 nan 8.290 nan 0.000 0.610 443 C N 2.270 121.617 119.300 0.079 0.000 2.887 443 C HA 0.695 5.155 4.460 0.001 0.000 0.379 443 C C -2.507 172.460 174.990 -0.037 0.000 1.064 443 C CA -1.232 57.772 59.018 -0.024 0.000 1.282 443 C CB 1.083 28.736 27.740 -0.146 0.000 1.749 443 C HN 0.724 nan 8.230 nan 0.000 0.489 444 P HA 0.365 nan 4.420 nan 0.000 0.267 444 P C -0.517 176.703 177.300 -0.133 0.000 1.209 444 P CA 0.723 63.487 63.100 -0.559 0.000 0.763 444 P CB 0.951 32.034 31.700 -1.028 0.000 0.816 445 A N 2.785 125.606 122.820 0.001 0.000 2.486 445 A HA 0.418 4.739 4.320 0.001 0.000 0.300 445 A C -0.927 176.724 177.584 0.112 0.000 1.048 445 A CA -0.565 51.546 52.037 0.122 0.000 0.696 445 A CB 1.410 20.585 19.000 0.292 0.000 1.278 445 A HN 0.466 nan 8.150 nan 0.000 0.405 446 D N 1.835 122.292 120.400 0.095 0.000 2.493 446 D HA 0.106 4.747 4.640 0.001 0.000 0.235 446 D C 0.830 177.280 176.300 0.250 0.000 1.117 446 D CA -0.503 53.587 54.000 0.150 0.000 0.930 446 D CB 0.294 41.117 40.800 0.038 0.000 1.010 446 D HN 0.641 nan 8.370 nan 0.000 0.514 447 W N 4.069 125.417 121.300 0.081 0.000 2.275 447 W HA -0.390 4.271 4.660 0.001 0.000 0.321 447 W C 1.936 178.485 176.519 0.050 0.000 1.269 447 W CA 2.648 60.020 57.345 0.045 0.000 1.274 447 W CB 0.047 29.510 29.460 0.006 0.000 1.141 447 W HN 0.525 nan 8.180 nan 0.000 0.493 448 A N -1.486 121.645 122.820 0.518 0.000 2.019 448 A HA -0.190 4.131 4.320 0.001 0.000 0.219 448 A C 1.441 179.079 177.584 0.090 0.000 1.164 448 A CA 1.611 53.857 52.037 0.348 0.000 0.644 448 A CB -1.228 17.988 19.000 0.359 0.000 0.805 448 A HN 0.558 nan 8.150 nan 0.000 0.449 449 W N -0.944 120.340 121.300 -0.025 0.000 2.704 449 W HA 0.195 4.856 4.660 0.001 0.000 0.266 449 W C 1.828 178.243 176.519 -0.174 0.000 1.266 449 W CA -0.109 57.194 57.345 -0.069 0.000 1.377 449 W CB -0.061 29.385 29.460 -0.024 0.000 1.082 449 W HN 0.126 nan 8.180 nan 0.000 0.608 450 I N -0.079 120.458 120.570 -0.055 0.000 2.353 450 I HA -0.072 4.099 4.170 0.001 0.000 0.248 450 I C 0.660 176.577 176.117 -0.334 0.000 1.119 450 I CA 0.801 61.927 61.300 -0.290 0.000 1.417 450 I CB -1.493 36.253 38.000 -0.423 0.000 1.078 450 I HN -0.401 nan 8.210 nan 0.000 0.421 451 V N 4.815 124.457 119.914 -0.454 0.000 2.479 451 V HA 0.100 4.221 4.120 0.001 0.000 0.281 451 V C -1.711 174.213 176.094 -0.283 0.000 1.031 451 V CA -1.134 60.880 62.300 -0.476 0.000 1.038 451 V CB 0.234 31.513 31.823 -0.907 0.000 0.981 451 V HN 0.156 nan 8.190 nan 0.000 0.478 452 P HA 0.135 nan 4.420 nan 0.000 0.270 452 P C -2.070 175.114 177.300 -0.193 0.000 1.223 452 P CA -1.356 61.630 63.100 -0.189 0.000 0.785 452 P CB 0.087 31.683 31.700 -0.172 0.000 0.923 453 P HA 0.050 nan 4.420 nan 0.000 0.242 453 P C 0.300 177.500 177.300 -0.167 0.000 1.197 453 P CA 0.924 63.914 63.100 -0.183 0.000 0.765 453 P CB -0.074 31.508 31.700 -0.197 0.000 0.936 454 I N -7.179 113.269 120.570 -0.203 0.000 3.006 454 I HA 0.403 4.573 4.170 0.001 0.000 0.306 454 I C -0.272 175.777 176.117 -0.114 0.000 1.250 454 I CA -1.282 59.920 61.300 -0.163 0.000 0.996 454 I CB 1.849 39.722 38.000 -0.210 0.000 1.261 454 I HN -0.411 nan 8.210 nan 0.000 0.442 455 S N 1.861 117.538 115.700 -0.037 0.000 3.521 455 S HA -0.197 4.274 4.470 0.001 0.000 0.362 455 S C 1.334 175.942 174.600 0.012 0.000 1.044 455 S CA 0.846 59.061 58.200 0.025 0.000 1.091 455 S CB -1.730 61.554 63.200 0.140 0.000 0.908 455 S HN 1.280 nan 8.310 nan 0.000 0.473 456 G N 2.287 111.078 108.800 -0.015 0.000 2.553 456 G HA2 -0.296 3.665 3.960 0.001 0.000 0.218 456 G HA3 -0.296 3.665 3.960 0.001 0.000 0.218 456 G C 1.479 176.312 174.900 -0.112 0.000 1.195 456 G CA 1.444 46.568 45.100 0.040 0.000 0.779 456 G HN 1.184 nan 8.290 nan 0.000 0.577 457 S N 0.027 115.372 115.700 -0.592 0.000 2.481 457 S HA 0.094 4.565 4.470 0.001 0.000 0.231 457 S C 1.929 176.452 174.600 -0.129 0.000 0.996 457 S CA 0.589 58.234 58.200 -0.925 0.000 0.942 457 S CB -0.081 62.463 63.200 -1.094 0.000 0.768 457 S HN 0.057 nan 8.310 nan 0.000 0.520 458 L N 2.667 123.872 121.223 -0.029 0.000 2.622 458 L HA 0.232 4.572 4.340 0.001 0.000 0.233 458 L C 1.164 178.150 176.870 0.194 0.000 1.156 458 L CA 0.613 55.516 54.840 0.105 0.000 0.866 458 L CB -1.311 40.839 42.059 0.152 0.000 0.980 458 L HN 0.614 nan 8.230 nan 0.000 0.448 459 T N -5.042 109.616 114.554 0.173 0.000 2.885 459 T HA 0.409 4.759 4.350 0.001 0.000 0.285 459 T C -1.790 173.057 174.700 0.246 0.000 1.019 459 T CA -1.881 60.342 62.100 0.205 0.000 1.010 459 T CB 2.115 71.066 68.868 0.138 0.000 1.022 459 T HN -0.184 nan 8.240 nan 0.000 0.466 460 P HA -0.093 nan 4.420 nan 0.000 0.222 460 P C 1.721 179.190 177.300 0.283 0.000 1.147 460 P CA 0.952 64.221 63.100 0.282 0.000 0.790 460 P CB -0.278 31.545 31.700 0.204 0.000 0.780 461 V N -4.022 116.011 119.914 0.197 0.000 2.548 461 V HA -0.156 3.964 4.120 0.001 0.000 0.249 461 V C 2.406 178.550 176.094 0.084 0.000 1.055 461 V CA 0.999 63.381 62.300 0.136 0.000 1.065 461 V CB -2.191 29.638 31.823 0.010 0.000 0.681 461 V HN -0.124 nan 8.190 nan 0.000 0.462 462 F N 2.229 122.092 119.950 -0.144 0.000 2.120 462 F HA -0.203 4.324 4.527 0.001 0.000 0.300 462 F C 2.406 178.273 175.800 0.111 0.000 1.095 462 F CA 2.254 60.163 58.000 -0.151 0.000 1.249 462 F CB -0.416 38.387 39.000 -0.329 0.000 0.995 462 F HN 0.295 nan 8.300 nan 0.000 0.480 463 H N -0.759 118.686 119.070 0.624 0.000 2.536 463 H HA 0.126 4.683 4.556 0.001 0.000 0.276 463 H C 0.149 175.756 175.328 0.465 0.000 1.019 463 H CA 0.243 56.619 56.048 0.547 0.000 1.159 463 H CB -0.349 29.674 29.762 0.435 0.000 1.373 463 H HN 0.279 nan 8.280 nan 0.000 0.584 464 Q N 1.627 121.717 119.800 0.484 0.000 2.333 464 Q HA 0.202 4.542 4.340 0.001 0.000 0.265 464 Q C -0.690 175.567 176.000 0.428 0.000 0.989 464 Q CA -0.538 55.499 55.803 0.391 0.000 0.842 464 Q CB 1.214 30.135 28.738 0.305 0.000 1.262 464 Q HN 0.218 nan 8.270 nan 0.000 0.451 465 E N 3.315 123.717 120.200 0.336 0.000 2.366 465 E HA 0.349 4.700 4.350 0.001 0.000 0.266 465 E C -0.575 176.175 176.600 0.250 0.000 1.051 465 E CA 0.063 56.623 56.400 0.268 0.000 0.884 465 E CB 0.978 30.809 29.700 0.219 0.000 1.006 465 E HN 0.590 nan 8.360 nan 0.000 0.417 466 M N 1.503 121.252 119.600 0.249 0.000 2.572 466 M HA 0.371 4.852 4.480 0.001 0.000 0.299 466 M C -1.144 175.277 176.300 0.202 0.000 1.205 466 M CA -0.997 54.449 55.300 0.244 0.000 0.876 466 M CB 2.386 35.176 32.600 0.317 0.000 1.728 466 M HN 0.164 nan 8.290 nan 0.000 0.458 467 V N 1.839 121.886 119.914 0.222 0.000 2.483 467 V HA 0.499 4.620 4.120 0.001 0.000 0.295 467 V C -0.655 175.618 176.094 0.299 0.000 1.035 467 V CA -0.695 61.770 62.300 0.275 0.000 0.896 467 V CB 1.678 33.704 31.823 0.338 0.000 0.986 467 V HN 0.798 nan 8.190 nan 0.000 0.447 468 N N 3.280 122.153 118.700 0.288 0.000 2.314 468 N HA 0.674 5.415 4.740 0.001 0.000 0.294 468 N C -1.238 174.454 175.510 0.302 0.000 1.029 468 N CA -0.425 52.721 53.050 0.160 0.000 0.845 468 N CB 1.547 40.096 38.487 0.103 0.000 1.321 468 N HN 0.633 nan 8.380 nan 0.000 0.481 469 Y N 0.363 120.687 120.300 0.039 0.000 2.764 469 Y HA 0.604 5.155 4.550 0.001 0.000 0.331 469 Y C -1.052 174.857 175.900 0.015 0.000 1.280 469 Y CA -1.261 56.856 58.100 0.029 0.000 1.065 469 Y CB 0.827 39.308 38.460 0.035 0.000 1.319 469 Y HN 0.196 nan 8.280 nan 0.000 0.453 470 I N 3.023 123.704 120.570 0.184 0.000 2.355 470 I HA 0.451 4.621 4.170 0.001 0.000 0.288 470 I C -0.889 175.291 176.117 0.105 0.000 0.999 470 I CA -0.513 60.831 61.300 0.073 0.000 1.163 470 I CB 1.241 39.273 38.000 0.053 0.000 1.316 470 I HN 0.386 nan 8.210 nan 0.000 0.454 471 L N 4.540 125.787 121.223 0.040 0.000 2.333 471 L HA 0.573 4.913 4.340 0.001 0.000 0.269 471 L C -0.056 176.812 176.870 -0.004 0.000 1.010 471 L CA -0.573 54.297 54.840 0.049 0.000 0.818 471 L CB 2.182 44.261 42.059 0.032 0.000 1.306 471 L HN 0.508 nan 8.230 nan 0.000 0.430 472 S N 1.394 117.101 115.700 0.011 0.000 2.513 472 S HA 0.620 5.090 4.470 0.001 0.000 0.299 472 S C -2.534 172.069 174.600 0.006 0.000 1.087 472 S CA -1.384 56.807 58.200 -0.016 0.000 1.012 472 S CB 1.852 65.059 63.200 0.012 0.000 1.044 472 S HN 0.241 nan 8.310 nan 0.000 0.485 473 P HA 0.389 nan 4.420 nan 0.000 0.269 473 P C -1.428 175.744 177.300 -0.214 0.000 1.211 473 P CA -0.048 62.941 63.100 -0.185 0.000 0.781 473 P CB 0.453 31.992 31.700 -0.269 0.000 0.877 474 A N 1.200 123.848 122.820 -0.287 0.000 2.594 474 A HA 0.595 4.915 4.320 0.001 0.000 0.296 474 A C -1.526 175.844 177.584 -0.357 0.000 1.061 474 A CA -0.500 51.379 52.037 -0.263 0.000 0.689 474 A CB 0.583 19.505 19.000 -0.129 0.000 1.280 474 A HN 0.282 nan 8.150 nan 0.000 0.406 475 F N 1.543 121.399 119.950 -0.158 0.000 2.420 475 F HA 0.615 5.142 4.527 0.001 0.000 0.352 475 F C 1.110 176.793 175.800 -0.196 0.000 1.108 475 F CA 0.470 58.373 58.000 -0.162 0.000 1.162 475 F CB 1.353 40.219 39.000 -0.222 0.000 1.118 475 F HN 0.554 nan 8.300 nan 0.000 0.510 476 R N 1.810 122.308 120.500 -0.004 0.000 2.892 476 R HA 0.511 4.851 4.340 0.001 0.000 0.265 476 R C -1.364 174.893 176.300 -0.073 0.000 1.025 476 R CA -1.152 54.905 56.100 -0.072 0.000 0.982 476 R CB 1.504 31.798 30.300 -0.009 0.000 1.185 476 R HN 0.417 nan 8.270 nan 0.000 0.484 477 Y N 0.940 121.263 120.300 0.038 0.000 2.326 477 Y HA 0.209 4.759 4.550 0.001 0.000 0.324 477 Y C 0.433 176.338 175.900 0.007 0.000 1.291 477 Y CA 0.012 58.128 58.100 0.027 0.000 1.348 477 Y CB 1.090 39.551 38.460 0.003 0.000 1.294 477 Y HN 0.461 nan 8.280 nan 0.000 0.525 478 Q N 0.233 120.140 119.800 0.178 0.000 2.435 478 Q HA 0.570 4.911 4.340 0.001 0.000 0.282 478 Q C -3.180 172.804 176.000 -0.027 0.000 1.020 478 Q CA -2.448 53.389 55.803 0.056 0.000 0.820 478 Q CB 2.037 30.801 28.738 0.042 0.000 1.436 478 Q HN 0.235 nan 8.270 nan 0.000 0.395 479 P HA 0.018 nan 4.420 nan 0.000 0.270 479 P C -1.027 176.081 177.300 -0.320 0.000 1.221 479 P CA 0.139 63.123 63.100 -0.193 0.000 0.788 479 P CB 0.339 31.938 31.700 -0.168 0.000 0.904 480 D N 2.040 122.107 120.400 -0.554 0.000 2.308 480 D HA 0.082 4.723 4.640 0.001 0.000 0.251 480 D C -1.169 174.599 176.300 -0.886 0.000 1.127 480 D CA -1.561 51.842 54.000 -0.996 0.000 0.876 480 D CB 0.127 39.828 40.800 -1.831 0.000 1.176 480 D HN 0.266 nan 8.370 nan 0.000 0.446 481 P HA -0.082 nan 4.420 nan 0.000 0.229 481 P C -0.078 177.013 177.300 -0.347 0.000 1.150 481 P CA 0.704 63.553 63.100 -0.419 0.000 0.765 481 P CB 0.006 31.525 31.700 -0.301 0.000 0.783 482 W N 0.000 120.932 121.300 -0.613 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.110 57.345 -0.391 0.000 1.226 482 W CB 0.000 29.150 29.460 -0.517 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535