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 3n6g_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RXXXXXXXXX DATA SEQUENCE XPPAEQLLSQ 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 YMSTEIGTRD 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 0.000 176.336 176.600 -0.440 0.000 0.988 69 K CA 0.000 56.098 56.287 -0.316 0.000 0.838 69 K CB 0.000 32.310 32.500 -0.316 0.000 1.064 70 F N 4.206 124.158 119.950 0.004 0.000 2.415 70 F HA 0.429 4.957 4.527 0.001 0.000 0.348 70 F C -2.058 173.814 175.800 0.119 0.000 1.119 70 F CA -2.104 55.918 58.000 0.036 0.000 1.069 70 F CB 0.956 39.966 39.000 0.017 0.000 1.124 70 F HN 0.000 nan 8.300 nan 0.000 0.472 71 P HA 0.143 nan 4.420 nan 0.000 0.281 71 P C -0.524 176.930 177.300 0.256 0.000 1.252 71 P CA -0.577 62.653 63.100 0.216 0.000 0.778 71 P CB 1.013 32.799 31.700 0.144 0.000 0.895 72 R N 2.493 123.122 120.500 0.215 0.000 2.489 72 R HA 0.286 4.627 4.340 0.001 0.000 0.287 72 R C -0.930 175.335 176.300 -0.060 0.000 1.053 72 R CA -0.109 55.965 56.100 -0.042 0.000 1.036 72 R CB 0.198 30.509 30.300 0.019 0.000 0.966 72 R HN 0.278 nan 8.270 nan 0.000 0.432 73 V N 5.384 125.204 119.914 -0.157 0.000 2.483 73 V HA 0.318 4.438 4.120 0.001 0.000 0.297 73 V C -0.418 175.622 176.094 -0.091 0.000 1.027 73 V CA -0.745 61.527 62.300 -0.047 0.000 0.855 73 V CB 1.498 33.324 31.823 0.005 0.000 0.995 73 V HN 0.733 nan 8.190 nan 0.000 0.424 74 K N 3.808 124.186 120.400 -0.036 0.000 2.270 74 K HA 0.425 4.746 4.320 0.001 0.000 0.255 74 K C -0.435 176.132 176.600 -0.054 0.000 0.936 74 K CA -0.656 55.540 56.287 -0.152 0.000 0.809 74 K CB 1.410 33.697 32.500 -0.355 0.000 1.131 74 K HN 0.711 nan 8.250 nan 0.000 0.427 75 N N 4.018 122.661 118.700 -0.095 0.000 2.414 75 N HA 0.068 4.809 4.740 0.001 0.000 0.256 75 N C -0.313 175.175 175.510 -0.036 0.000 1.029 75 N CA -0.209 52.866 53.050 0.042 0.000 0.948 75 N CB 0.498 39.021 38.487 0.060 0.000 1.102 75 N HN 0.680 nan 8.380 nan 0.000 0.496 76 W N 2.151 123.539 121.300 0.147 0.000 3.047 76 W HA 0.140 4.802 4.660 0.002 0.000 0.250 76 W C 2.076 178.654 176.519 0.099 0.000 1.314 76 W CA -0.182 57.242 57.345 0.132 0.000 1.540 76 W CB 0.332 29.895 29.460 0.171 0.000 1.127 76 W HN 0.673 nan 8.180 nan 0.000 0.679 77 E N 0.398 120.735 120.200 0.228 0.000 2.086 77 E HA -0.103 4.248 4.350 0.001 0.000 0.190 77 E C 1.686 178.302 176.600 0.027 0.000 0.975 77 E CA 1.012 57.440 56.400 0.047 0.000 0.813 77 E CB -0.186 29.483 29.700 -0.053 0.000 0.768 77 E HN 0.249 nan 8.360 nan 0.000 0.457 78 L N -0.869 120.368 121.223 0.022 0.000 2.590 78 L HA 0.326 4.667 4.340 0.001 0.000 0.227 78 L C 1.497 178.337 176.870 -0.050 0.000 1.099 78 L CA 0.391 55.225 54.840 -0.010 0.000 0.872 78 L CB 0.564 42.623 42.059 -0.001 0.000 1.088 78 L HN 0.415 nan 8.230 nan 0.000 0.479 79 G N 0.736 109.476 108.800 -0.101 0.000 2.162 79 G HA2 -0.312 3.648 3.960 0.001 0.000 0.260 79 G HA3 -0.312 3.648 3.960 0.001 0.000 0.260 79 G C 0.388 175.178 174.900 -0.184 0.000 0.976 79 G CA 0.483 45.474 45.100 -0.182 0.000 0.655 79 G HN 0.474 nan 8.290 nan 0.000 0.533 80 S N -0.682 114.934 115.700 -0.140 0.000 2.610 80 S HA 0.794 5.265 4.470 0.001 0.000 0.273 80 S C -0.062 174.441 174.600 -0.162 0.000 1.274 80 S CA -0.601 57.526 58.200 -0.123 0.000 1.023 80 S CB 2.352 65.508 63.200 -0.073 0.000 0.962 80 S HN 0.596 nan 8.310 nan 0.000 0.523 81 I N 1.762 122.233 120.570 -0.165 0.000 2.582 81 I HA 0.531 4.701 4.170 0.001 0.000 0.292 81 I C -0.001 175.970 176.117 -0.242 0.000 1.066 81 I CA -0.254 60.906 61.300 -0.233 0.000 1.053 81 I CB 2.652 40.500 38.000 -0.253 0.000 1.241 81 I HN 1.042 nan 8.210 nan 0.000 0.421 82 T N 1.094 115.463 114.554 -0.308 0.000 2.838 82 T HA 0.625 4.975 4.350 0.001 0.000 0.292 82 T C -1.252 173.162 174.700 -0.476 0.000 1.113 82 T CA -0.817 61.122 62.100 -0.268 0.000 1.008 82 T CB 1.532 70.340 68.868 -0.100 0.000 1.259 82 T HN 0.271 nan 8.240 nan 0.000 0.520 83 Y N -0.042 120.259 120.300 0.000 0.000 2.376 83 Y HA 0.473 5.024 4.550 0.001 0.000 0.340 83 Y C -0.077 175.836 175.900 0.022 0.000 0.965 83 Y CA -0.963 57.148 58.100 0.018 0.000 1.078 83 Y CB 1.812 40.262 38.460 -0.017 0.000 1.193 83 Y HN 0.693 nan 8.280 nan 0.000 0.452 84 D N 1.991 122.519 120.400 0.214 0.000 2.313 84 D HA 0.116 4.757 4.640 0.001 0.000 0.239 84 D C 0.509 176.927 176.300 0.197 0.000 1.142 84 D CA 0.141 54.244 54.000 0.170 0.000 0.847 84 D CB 1.402 42.312 40.800 0.183 0.000 1.082 84 D HN 0.818 nan 8.370 nan 0.000 0.480 85 T N 1.047 115.659 114.554 0.097 0.000 2.971 85 T HA -0.040 4.311 4.350 0.001 0.000 0.252 85 T C 1.849 176.598 174.700 0.082 0.000 1.022 85 T CA -0.295 61.853 62.100 0.080 0.000 0.980 85 T CB 0.144 68.882 68.868 -0.215 0.000 1.044 85 T HN 0.231 nan 8.240 nan 0.000 0.501 86 L N 2.826 124.074 121.223 0.041 0.000 2.079 86 L HA -0.043 4.298 4.340 0.001 0.000 0.210 86 L C 2.726 179.522 176.870 -0.124 0.000 1.081 86 L CA 1.536 56.392 54.840 0.027 0.000 0.752 86 L CB -1.107 41.026 42.059 0.122 0.000 0.896 86 L HN 0.688 nan 8.230 nan 0.000 0.433 87 C N -1.273 117.795 119.300 -0.387 0.000 2.403 87 C HA -0.079 4.382 4.460 0.001 0.000 0.282 87 C C 2.776 177.543 174.990 -0.372 0.000 1.297 87 C CA 0.325 58.809 59.018 -0.891 0.000 1.785 87 C CB -2.221 24.953 27.740 -0.943 0.000 1.963 87 C HN 0.588 nan 8.230 nan 0.000 0.507 88 A N 0.063 122.812 122.820 -0.119 0.000 2.125 88 A HA -0.086 4.234 4.320 0.001 0.000 0.219 88 A C 2.218 179.784 177.584 -0.030 0.000 1.156 88 A CA 1.434 53.444 52.037 -0.046 0.000 0.671 88 A CB -0.450 18.600 19.000 0.084 0.000 0.794 88 A HN 0.747 nan 8.150 nan 0.000 0.459 89 Q N 0.068 119.851 119.800 -0.029 0.000 2.444 89 Q HA 0.072 4.413 4.340 0.001 0.000 0.206 89 Q C 0.715 176.730 176.000 0.026 0.000 0.948 89 Q CA 0.272 56.084 55.803 0.014 0.000 0.946 89 Q CB -0.397 28.366 28.738 0.042 0.000 1.027 89 Q HN 0.499 nan 8.270 nan 0.000 0.513 90 S N 1.007 116.704 115.700 -0.004 0.000 2.533 90 S HA 0.039 4.509 4.470 0.001 0.000 0.282 90 S C 0.871 175.490 174.600 0.032 0.000 1.304 90 S CA -0.013 58.214 58.200 0.045 0.000 1.063 90 S CB 0.515 63.745 63.200 0.050 0.000 0.881 90 S HN 0.137 nan 8.310 nan 0.000 0.493 91 Q N 2.229 122.058 119.800 0.048 0.000 2.189 91 Q HA 0.252 4.593 4.340 0.001 0.000 0.223 91 Q C -0.417 175.604 176.000 0.035 0.000 0.828 91 Q CA 0.159 55.984 55.803 0.037 0.000 0.967 91 Q CB 0.699 29.463 28.738 0.044 0.000 1.139 91 Q HN 0.632 nan 8.270 nan 0.000 0.497 92 Q N 1.457 121.283 119.800 0.044 0.000 2.309 92 Q HA 0.221 4.562 4.340 0.001 0.000 0.270 92 Q C -1.167 174.859 176.000 0.043 0.000 1.023 92 Q CA -0.311 55.516 55.803 0.040 0.000 0.758 92 Q CB 1.836 30.600 28.738 0.043 0.000 1.247 92 Q HN 0.101 nan 8.270 nan 0.000 0.455 93 D N 1.684 122.102 120.400 0.030 0.000 2.455 93 D HA 0.199 4.840 4.640 0.001 0.000 0.241 93 D C 0.568 176.887 176.300 0.031 0.000 1.138 93 D CA 0.496 54.513 54.000 0.028 0.000 0.877 93 D CB 0.999 41.809 40.800 0.017 0.000 1.187 93 D HN 0.603 nan 8.370 nan 0.000 0.451 94 G N 1.313 110.135 108.800 0.037 0.000 2.568 94 G HA2 0.374 4.335 3.960 0.001 0.000 0.293 94 G HA3 0.374 4.335 3.960 0.001 0.000 0.293 94 G C -1.412 173.501 174.900 0.021 0.000 1.347 94 G CA -0.675 44.443 45.100 0.031 0.000 1.039 94 G HN 0.339 nan 8.290 nan 0.000 0.523 95 P HA 0.152 nan 4.420 nan 0.000 0.240 95 P C 0.277 177.583 177.300 0.011 0.000 1.190 95 P CA -0.001 63.106 63.100 0.011 0.000 0.781 95 P CB 0.118 31.822 31.700 0.007 0.000 0.931 96 C N 0.807 120.117 119.300 0.016 0.000 2.443 96 C HA 0.614 5.075 4.460 0.001 0.000 0.369 96 C C 1.027 176.023 174.990 0.010 0.000 1.241 96 C CA 0.051 59.078 59.018 0.014 0.000 2.413 96 C CB 0.943 28.694 27.740 0.019 0.000 2.451 96 C HN 0.381 nan 8.230 nan 0.000 0.595 97 T N -1.491 113.066 114.554 0.006 0.000 2.841 97 T HA 0.446 4.796 4.350 0.001 0.000 0.296 97 T C -2.381 172.319 174.700 -0.000 0.000 1.166 97 T CA -1.107 60.994 62.100 0.002 0.000 1.007 97 T CB 1.254 70.122 68.868 0.000 0.000 1.253 97 T HN 0.282 nan 8.240 nan 0.000 0.511 98 P HA -0.053 nan 4.420 nan 0.000 0.216 98 P C 1.569 178.867 177.300 -0.004 0.000 1.150 98 P CA 0.851 63.949 63.100 -0.004 0.000 0.837 98 P CB 0.068 31.765 31.700 -0.006 0.000 0.786 99 R N -0.035 120.462 120.500 -0.004 0.000 2.092 99 R HA -0.089 4.252 4.340 0.001 0.000 0.231 99 R C 0.575 176.872 176.300 -0.005 0.000 1.119 99 R CA 1.039 57.136 56.100 -0.005 0.000 0.970 99 R CB 0.071 30.369 30.300 -0.004 0.000 0.864 99 R HN 0.094 nan 8.270 nan 0.000 0.440 100 R N 0.054 120.552 120.500 -0.004 0.000 2.604 100 R HA 0.175 4.515 4.340 0.001 0.000 0.270 100 R C -1.758 174.541 176.300 -0.002 0.000 1.052 100 R CA -0.805 55.293 56.100 -0.004 0.000 0.902 100 R CB 0.088 30.385 30.300 -0.004 0.000 1.233 100 R HN 0.104 nan 8.270 nan 0.000 0.455 101 C N 3.485 122.782 119.300 -0.004 0.000 2.369 101 C HA 0.564 5.025 4.460 0.001 0.000 0.358 101 C C 0.294 175.286 174.990 0.003 0.000 1.274 101 C CA -0.532 58.486 59.018 -0.001 0.000 1.935 101 C CB -0.517 27.218 27.740 -0.008 0.000 2.431 101 C HN 0.681 nan 8.230 nan 0.000 0.545 102 L N 5.882 127.111 121.223 0.010 0.000 3.122 102 L HA 0.349 4.690 4.340 0.001 0.000 0.274 102 L C 2.060 178.944 176.870 0.024 0.000 1.222 102 L CA 0.738 55.586 54.840 0.014 0.000 1.028 102 L CB -0.184 41.881 42.059 0.010 0.000 1.386 102 L HN 1.040 nan 8.230 nan 0.000 0.578 103 G N -0.608 108.210 108.800 0.029 0.000 2.535 103 G HA2 -0.235 3.726 3.960 0.001 0.000 0.218 103 G HA3 -0.235 3.726 3.960 0.001 0.000 0.218 103 G C 1.451 176.397 174.900 0.078 0.000 1.122 103 G CA 1.110 46.238 45.100 0.047 0.000 0.769 103 G HN 0.504 nan 8.290 nan 0.000 0.549 104 S N -0.351 115.392 115.700 0.072 0.000 2.575 104 S HA 0.315 4.786 4.470 0.001 0.000 0.215 104 S C 0.891 175.553 174.600 0.104 0.000 0.966 104 S CA -0.543 57.719 58.200 0.105 0.000 0.911 104 S CB -0.115 63.131 63.200 0.077 0.000 0.780 104 S HN 0.131 nan 8.310 nan 0.000 0.514 105 L N 2.120 123.384 121.223 0.068 0.000 2.416 105 L HA 0.208 4.549 4.340 0.001 0.000 0.272 105 L C 1.468 178.376 176.870 0.064 0.000 1.161 105 L CA -0.419 54.452 54.840 0.051 0.000 0.845 105 L CB 0.971 43.041 42.059 0.018 0.000 1.119 105 L HN 0.070 nan 8.230 nan 0.000 0.464 106 V N 4.351 124.309 119.914 0.072 0.000 2.283 106 V HA -0.137 3.984 4.120 0.001 0.000 0.243 106 V C 0.706 176.758 176.094 -0.070 0.000 1.039 106 V CA 1.280 63.629 62.300 0.081 0.000 1.016 106 V CB -0.237 31.658 31.823 0.119 0.000 0.650 106 V HN 0.659 nan 8.190 nan 0.000 0.449 107 L N -0.208 120.955 121.223 -0.100 0.000 2.401 107 L HA 0.637 4.978 4.340 0.001 0.000 0.263 107 L C -2.815 174.014 176.870 -0.068 0.000 1.004 107 L CA -1.667 53.090 54.840 -0.138 0.000 0.881 107 L CB 0.439 42.346 42.059 -0.254 0.000 1.219 107 L HN -0.011 nan 8.230 nan 0.000 0.441 108 P HA 0.402 nan 4.420 nan 0.000 0.274 108 P C -0.130 177.161 177.300 -0.015 0.000 1.237 108 P CA -0.516 62.572 63.100 -0.021 0.000 0.793 108 P CB 0.680 32.373 31.700 -0.011 0.000 0.977 121 P HA 0.121 nan 4.420 nan 0.000 0.263 121 P C 0.947 178.254 177.300 0.010 0.000 1.175 121 P CA 0.361 63.466 63.100 0.007 0.000 0.761 121 P CB 0.417 32.120 31.700 0.006 0.000 0.794 122 A N 4.546 127.372 122.820 0.010 0.000 1.894 122 A HA -0.308 4.013 4.320 0.001 0.000 0.220 122 A C 2.025 179.613 177.584 0.007 0.000 1.237 122 A CA 2.180 54.224 52.037 0.011 0.000 0.660 122 A CB -1.011 17.993 19.000 0.007 0.000 0.835 122 A HN 0.704 nan 8.150 nan 0.000 0.461 123 E N -0.677 119.525 120.200 0.004 0.000 2.070 123 E HA -0.295 4.056 4.350 0.001 0.000 0.197 123 E C 2.134 178.738 176.600 0.007 0.000 1.004 123 E CA 1.577 57.978 56.400 0.002 0.000 0.805 123 E CB -0.530 29.171 29.700 0.002 0.000 0.744 123 E HN 0.845 nan 8.360 nan 0.000 0.451 124 Q N 0.343 120.150 119.800 0.011 0.000 2.083 124 Q HA -0.095 4.246 4.340 0.001 0.000 0.198 124 Q C 2.412 178.427 176.000 0.025 0.000 0.969 124 Q CA 0.624 56.436 55.803 0.016 0.000 0.838 124 Q CB -0.015 28.732 28.738 0.014 0.000 0.900 124 Q HN 0.224 nan 8.270 nan 0.000 0.436 125 L N 0.619 121.858 121.223 0.028 0.000 2.056 125 L HA -0.160 4.181 4.340 0.001 0.000 0.207 125 L C 2.167 179.058 176.870 0.035 0.000 1.078 125 L CA 1.228 56.097 54.840 0.049 0.000 0.749 125 L CB -0.583 41.515 42.059 0.064 0.000 0.901 125 L HN 0.223 nan 8.230 nan 0.000 0.433 126 L N -0.478 120.747 121.223 0.003 0.000 2.079 126 L HA -0.192 4.149 4.340 0.001 0.000 0.210 126 L C 2.788 179.648 176.870 -0.018 0.000 1.081 126 L CA 2.113 56.932 54.840 -0.036 0.000 0.752 126 L CB -0.782 41.256 42.059 -0.035 0.000 0.896 126 L HN 0.653 nan 8.230 nan 0.000 0.433 127 S N -1.927 113.778 115.700 0.009 0.000 2.395 127 S HA -0.187 4.284 4.470 0.001 0.000 0.225 127 S C 1.823 176.455 174.600 0.054 0.000 1.027 127 S CA 0.803 59.018 58.200 0.024 0.000 0.965 127 S CB -0.496 62.717 63.200 0.022 0.000 0.812 127 S HN 0.621 nan 8.310 nan 0.000 0.482 128 Q N 1.337 121.177 119.800 0.067 0.000 2.119 128 Q HA 0.074 4.415 4.340 0.001 0.000 0.201 128 Q C 2.603 178.699 176.000 0.159 0.000 0.972 128 Q CA 1.390 57.257 55.803 0.107 0.000 0.847 128 Q CB -0.570 28.225 28.738 0.095 0.000 0.903 128 Q HN 0.759 nan 8.270 nan 0.000 0.433 129 A N 1.670 124.557 122.820 0.112 0.000 1.858 129 A HA -0.221 4.099 4.320 0.001 0.000 0.216 129 A C 2.057 179.706 177.584 0.109 0.000 1.190 129 A CA 1.484 53.573 52.037 0.087 0.000 0.617 129 A CB -0.478 18.356 19.000 -0.276 0.000 0.827 129 A HN 0.217 nan 8.150 nan 0.000 0.443 130 R N -0.476 120.048 120.500 0.039 0.000 2.094 130 R HA -0.209 4.132 4.340 0.001 0.000 0.239 130 R C 2.084 178.458 176.300 0.123 0.000 1.137 130 R CA 1.837 57.972 56.100 0.058 0.000 0.943 130 R CB -0.662 29.648 30.300 0.017 0.000 0.850 130 R HN 0.729 nan 8.270 nan 0.000 0.433 131 D N 0.042 120.522 120.400 0.133 0.000 2.133 131 D HA -0.225 4.416 4.640 0.001 0.000 0.195 131 D C 1.652 178.074 176.300 0.205 0.000 0.997 131 D CA 1.157 55.247 54.000 0.150 0.000 0.840 131 D CB -0.091 40.793 40.800 0.140 0.000 0.947 131 D HN 0.195 nan 8.370 nan 0.000 0.452 132 F N 0.517 120.554 119.950 0.144 0.000 2.186 132 F HA -0.047 4.481 4.527 0.001 0.000 0.299 132 F C 1.869 177.800 175.800 0.220 0.000 1.090 132 F CA 0.930 59.049 58.000 0.198 0.000 1.307 132 F CB -0.066 39.060 39.000 0.209 0.000 1.019 132 F HN 0.006 nan 8.300 nan 0.000 0.489 133 I N 0.678 121.295 120.570 0.077 0.000 2.252 133 I HA -0.263 3.907 4.170 0.001 0.000 0.245 133 I C 1.960 178.146 176.117 0.115 0.000 1.102 133 I CA 1.040 62.394 61.300 0.091 0.000 1.385 133 I CB -1.635 36.513 38.000 0.247 0.000 1.064 133 I HN 0.175 nan 8.210 nan 0.000 0.414 134 N N 1.213 120.002 118.700 0.148 0.000 2.061 134 N HA -0.235 4.506 4.740 0.001 0.000 0.193 134 N C 1.834 177.290 175.510 -0.090 0.000 1.030 134 N CA 1.345 54.444 53.050 0.081 0.000 0.856 134 N CB -0.441 38.124 38.487 0.130 0.000 1.023 134 N HN 0.482 nan 8.380 nan 0.000 0.424 135 Q N -1.041 118.702 119.800 -0.095 0.000 2.124 135 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 135 Q C 1.741 177.479 176.000 -0.436 0.000 0.977 135 Q CA 1.179 56.914 55.803 -0.112 0.000 0.850 135 Q CB -0.183 28.613 28.738 0.095 0.000 0.901 135 Q HN 0.526 nan 8.270 nan 0.000 0.429 136 Y N -0.426 119.365 120.300 -0.849 0.000 2.220 136 Y HA -0.244 4.307 4.550 0.001 0.000 0.291 136 Y C 1.520 176.892 175.900 -0.880 0.000 1.129 136 Y CA 1.412 58.747 58.100 -1.276 0.000 1.161 136 Y CB -0.222 37.560 38.460 -1.131 0.000 0.997 136 Y HN 0.056 nan 8.280 nan 0.000 0.522 137 Y N -0.913 118.980 120.300 -0.678 0.000 2.314 137 Y HA -0.154 4.397 4.550 0.001 0.000 0.293 137 Y C 3.030 178.603 175.900 -0.544 0.000 1.129 137 Y CA 1.604 59.300 58.100 -0.673 0.000 1.201 137 Y CB -0.788 37.196 38.460 -0.794 0.000 0.999 137 Y HN 0.154 nan 8.280 nan 0.000 0.541 138 S N -0.408 115.088 115.700 -0.340 0.000 2.359 138 S HA -0.248 4.223 4.470 0.001 0.000 0.224 138 S C 2.428 176.875 174.600 -0.255 0.000 1.035 138 S CA 1.746 59.808 58.200 -0.231 0.000 1.018 138 S CB -0.703 62.407 63.200 -0.149 0.000 0.876 138 S HN 0.624 nan 8.310 nan 0.000 0.448 139 S N 1.762 117.231 115.700 -0.384 0.000 2.399 139 S HA -0.097 4.374 4.470 0.001 0.000 0.231 139 S C 1.617 176.023 174.600 -0.323 0.000 1.022 139 S CA 1.276 59.295 58.200 -0.301 0.000 0.983 139 S CB -0.904 62.067 63.200 -0.382 0.000 0.803 139 S HN 0.786 nan 8.310 nan 0.000 0.480 140 I N -3.066 117.201 120.570 -0.506 0.000 3.891 140 I HA 0.423 4.594 4.170 0.001 0.000 0.331 140 I C -0.220 175.749 176.117 -0.246 0.000 1.406 140 I CA -0.571 60.497 61.300 -0.387 0.000 1.139 140 I CB -0.068 37.612 38.000 -0.534 0.000 1.056 140 I HN -0.123 nan 8.210 nan 0.000 0.399 141 K N 1.699 121.977 120.400 -0.204 0.000 3.071 141 K HA -0.167 4.154 4.320 0.001 0.000 0.265 141 K C 0.074 176.623 176.600 -0.085 0.000 1.060 141 K CA 0.547 56.762 56.287 -0.120 0.000 0.767 141 K CB -1.688 30.762 32.500 -0.084 0.000 1.241 141 K HN 0.580 nan 8.250 nan 0.000 0.486 142 R N -0.350 120.100 120.500 -0.084 0.000 2.633 142 R HA 0.109 4.449 4.340 0.001 0.000 0.348 142 R C 0.030 176.351 176.300 0.035 0.000 1.100 142 R CA -0.286 55.824 56.100 0.018 0.000 1.068 142 R CB 0.664 31.033 30.300 0.114 0.000 1.351 142 R HN 0.041 nan 8.270 nan 0.000 0.575 143 S N 0.344 116.021 115.700 -0.038 0.000 2.571 143 S HA 0.246 4.717 4.470 0.001 0.000 0.297 143 S C 1.264 175.915 174.600 0.085 0.000 1.234 143 S CA 1.278 59.454 58.200 -0.040 0.000 1.120 143 S CB 0.093 63.262 63.200 -0.051 0.000 0.923 143 S HN 0.760 nan 8.310 nan 0.000 0.504 144 G N 3.141 112.100 108.800 0.265 0.000 2.213 144 G HA2 -0.271 3.689 3.960 0.001 0.000 0.226 144 G HA3 -0.271 3.689 3.960 0.001 0.000 0.226 144 G C 0.310 175.238 174.900 0.047 0.000 0.992 144 G CA 0.126 45.301 45.100 0.126 0.000 0.632 144 G HN 1.239 nan 8.290 nan 0.000 0.511 145 S N 0.071 115.805 115.700 0.057 0.000 2.598 145 S HA 0.387 4.858 4.470 0.001 0.000 0.256 145 S C 1.358 175.945 174.600 -0.021 0.000 1.350 145 S CA 0.698 58.911 58.200 0.022 0.000 0.984 145 S CB 0.885 64.117 63.200 0.053 0.000 0.930 145 S HN 0.273 nan 8.310 nan 0.000 0.577 146 Q N 0.454 120.244 119.800 -0.017 0.000 2.167 146 Q HA -0.052 4.289 4.340 0.001 0.000 0.202 146 Q C 2.588 178.561 176.000 -0.046 0.000 0.970 146 Q CA 1.514 57.295 55.803 -0.036 0.000 0.855 146 Q CB -0.958 27.771 28.738 -0.015 0.000 0.911 146 Q HN 0.914 nan 8.270 nan 0.000 0.438 147 A N 0.529 123.347 122.820 -0.004 0.000 1.972 147 A HA -0.231 4.089 4.320 0.001 0.000 0.219 147 A C 1.917 179.382 177.584 -0.197 0.000 1.169 147 A CA 1.696 53.751 52.037 0.031 0.000 0.635 147 A CB -0.840 18.283 19.000 0.205 0.000 0.810 147 A HN 0.520 nan 8.150 nan 0.000 0.446 148 H N -1.084 117.609 119.070 -0.628 0.000 2.363 148 H HA -0.081 4.476 4.556 0.001 0.000 0.301 148 H C 1.923 176.947 175.328 -0.507 0.000 1.074 148 H CA 1.066 56.436 56.048 -1.131 0.000 1.354 148 H CB 0.164 29.406 29.762 -0.866 0.000 1.397 148 H HN 0.381 nan 8.280 nan 0.000 0.516 149 E N 1.117 121.101 120.200 -0.359 0.000 2.038 149 E HA -0.174 4.177 4.350 0.001 0.000 0.195 149 E C 2.103 178.586 176.600 -0.196 0.000 1.000 149 E CA 1.115 57.337 56.400 -0.298 0.000 0.803 149 E CB -0.299 29.290 29.700 -0.185 0.000 0.750 149 E HN 0.665 nan 8.360 nan 0.000 0.448 150 E N 0.204 120.328 120.200 -0.127 0.000 2.204 150 E HA -0.190 4.161 4.350 0.001 0.000 0.195 150 E C 2.143 178.719 176.600 -0.040 0.000 0.990 150 E CA 0.729 57.090 56.400 -0.064 0.000 0.821 150 E CB -0.022 29.664 29.700 -0.024 0.000 0.750 150 E HN -0.071 nan 8.360 nan 0.000 0.477 151 R N 1.091 121.560 120.500 -0.053 0.000 2.093 151 R HA -0.024 4.317 4.340 0.001 0.000 0.224 151 R C 2.034 178.330 176.300 -0.005 0.000 1.101 151 R CA 0.866 56.983 56.100 0.029 0.000 0.979 151 R CB -0.403 29.983 30.300 0.144 0.000 0.877 151 R HN 0.126 nan 8.270 nan 0.000 0.441 152 L N 0.184 121.355 121.223 -0.088 0.000 2.046 152 L HA -0.187 4.154 4.340 0.001 0.000 0.208 152 L C 2.503 179.320 176.870 -0.087 0.000 1.077 152 L CA 1.673 56.450 54.840 -0.105 0.000 0.747 152 L CB -0.448 41.497 42.059 -0.191 0.000 0.896 152 L HN 0.294 nan 8.230 nan 0.000 0.432 153 Q N -0.238 119.514 119.800 -0.081 0.000 2.050 153 Q HA -0.240 4.101 4.340 0.001 0.000 0.202 153 Q C 2.154 178.137 176.000 -0.029 0.000 0.980 153 Q CA 1.637 57.407 55.803 -0.055 0.000 0.840 153 Q CB -0.106 28.602 28.738 -0.050 0.000 0.898 153 Q HN 0.490 nan 8.270 nan 0.000 0.424 154 E N -0.143 120.052 120.200 -0.008 0.000 2.049 154 E HA -0.218 4.133 4.350 0.001 0.000 0.198 154 E C 2.093 178.704 176.600 0.018 0.000 1.007 154 E CA 1.639 58.053 56.400 0.024 0.000 0.809 154 E CB -0.081 29.654 29.700 0.058 0.000 0.749 154 E HN 0.136 nan 8.360 nan 0.000 0.450 155 V N 1.520 121.419 119.914 -0.025 0.000 2.287 155 V HA -0.276 3.845 4.120 0.001 0.000 0.248 155 V C 2.135 178.149 176.094 -0.134 0.000 1.053 155 V CA 1.921 64.138 62.300 -0.137 0.000 1.027 155 V CB -0.497 31.139 31.823 -0.312 0.000 0.646 155 V HN 0.269 nan 8.190 nan 0.000 0.447 156 E N 0.187 120.328 120.200 -0.098 0.000 2.058 156 E HA -0.236 4.115 4.350 0.001 0.000 0.194 156 E C 2.353 178.934 176.600 -0.030 0.000 0.997 156 E CA 1.423 57.782 56.400 -0.069 0.000 0.801 156 E CB -0.345 29.320 29.700 -0.059 0.000 0.746 156 E HN 0.601 nan 8.360 nan 0.000 0.450 157 A N 1.303 124.115 122.820 -0.013 0.000 1.933 157 A HA -0.251 4.070 4.320 0.001 0.000 0.218 157 A C 2.021 179.622 177.584 0.029 0.000 1.175 157 A CA 1.675 53.717 52.037 0.008 0.000 0.628 157 A CB -0.406 18.602 19.000 0.014 0.000 0.814 157 A HN 0.232 nan 8.150 nan 0.000 0.444 158 E N -0.520 119.708 120.200 0.047 0.000 2.107 158 E HA -0.075 4.276 4.350 0.001 0.000 0.191 158 E C 1.880 178.533 176.600 0.088 0.000 0.982 158 E CA 1.036 57.492 56.400 0.093 0.000 0.809 158 E CB -0.013 29.784 29.700 0.162 0.000 0.756 158 E HN 0.338 nan 8.360 nan 0.000 0.459 159 V N 1.091 121.037 119.914 0.054 0.000 2.307 159 V HA -0.219 3.901 4.120 0.001 0.000 0.245 159 V C 2.367 178.480 176.094 0.032 0.000 1.045 159 V CA 1.730 64.058 62.300 0.048 0.000 1.024 159 V CB -0.622 31.203 31.823 0.004 0.000 0.651 159 V HN 0.386 nan 8.190 nan 0.000 0.449 160 A N -0.301 122.529 122.820 0.017 0.000 2.070 160 A HA -0.156 4.165 4.320 0.001 0.000 0.220 160 A C 2.328 179.924 177.584 0.021 0.000 1.159 160 A CA 2.214 54.259 52.037 0.013 0.000 0.656 160 A CB -0.321 18.681 19.000 0.004 0.000 0.800 160 A HN 0.580 nan 8.150 nan 0.000 0.453 161 S N -1.759 113.960 115.700 0.031 0.000 2.527 161 S HA -0.003 4.467 4.470 0.001 0.000 0.227 161 S C 1.765 176.390 174.600 0.041 0.000 1.059 161 S CA 0.925 59.145 58.200 0.033 0.000 0.919 161 S CB 0.057 63.279 63.200 0.036 0.000 0.805 161 S HN 0.820 nan 8.310 nan 0.000 0.500 162 T N -1.609 112.976 114.554 0.053 0.000 3.010 162 T HA 0.450 4.801 4.350 0.001 0.000 0.257 162 T C 1.512 176.243 174.700 0.050 0.000 1.020 162 T CA 0.799 62.935 62.100 0.060 0.000 0.938 162 T CB 0.260 69.182 68.868 0.090 0.000 1.049 162 T HN 0.610 nan 8.240 nan 0.000 0.522 163 G N 0.303 109.130 108.800 0.045 0.000 2.155 163 G HA2 -0.186 3.774 3.960 0.001 0.000 0.257 163 G HA3 -0.186 3.774 3.960 0.001 0.000 0.257 163 G C 0.193 175.118 174.900 0.043 0.000 0.983 163 G CA 0.681 45.802 45.100 0.036 0.000 0.676 163 G HN 1.089 nan 8.290 nan 0.000 0.528 164 T N -1.868 112.727 114.554 0.067 0.000 2.658 164 T HA 0.640 4.991 4.350 0.001 0.000 0.305 164 T C -1.347 173.447 174.700 0.157 0.000 1.551 164 T CA 0.484 62.627 62.100 0.071 0.000 0.985 164 T CB 1.143 69.974 68.868 -0.063 0.000 1.731 164 T HN 1.686 nan 8.240 nan 0.000 0.486 165 Y N -0.648 119.533 120.300 -0.198 0.000 2.853 165 Y HA 0.849 5.400 4.550 0.001 0.000 0.326 165 Y C -1.682 173.932 175.900 -0.478 0.000 1.384 165 Y CA -1.165 56.839 58.100 -0.160 0.000 1.077 165 Y CB 0.660 39.108 38.460 -0.019 0.000 1.395 165 Y HN 0.818 nan 8.280 nan 0.000 0.451 166 H N 0.351 119.379 119.070 -0.070 0.000 2.717 166 H HA 0.661 5.218 4.556 0.001 0.000 0.366 166 H C -1.156 174.170 175.328 -0.002 0.000 1.132 166 H CA -0.787 55.182 56.048 -0.131 0.000 1.180 166 H CB 2.011 31.765 29.762 -0.012 0.000 1.678 166 H HN 0.712 nan 8.280 nan 0.000 0.537 167 L N 2.866 124.126 121.223 0.061 0.000 2.371 167 L HA 0.386 4.727 4.340 0.001 0.000 0.272 167 L C 0.438 177.372 176.870 0.108 0.000 1.124 167 L CA -0.900 54.012 54.840 0.121 0.000 0.816 167 L CB 0.419 42.523 42.059 0.076 0.000 1.129 167 L HN 0.412 nan 8.230 nan 0.000 0.448 168 R N 1.656 122.207 120.500 0.085 0.000 2.641 168 R HA 0.015 4.356 4.340 0.001 0.000 0.269 168 R C 0.963 177.261 176.300 -0.004 0.000 1.074 168 R CA -0.197 55.925 56.100 0.036 0.000 1.133 168 R CB 0.481 30.791 30.300 0.016 0.000 1.029 168 R HN 0.685 nan 8.270 nan 0.000 0.488 169 E N 1.465 121.662 120.200 -0.006 0.000 2.070 169 E HA -0.261 4.090 4.350 0.001 0.000 0.197 169 E C 1.417 178.004 176.600 -0.022 0.000 1.004 169 E CA 2.363 58.750 56.400 -0.022 0.000 0.805 169 E CB 0.140 29.830 29.700 -0.016 0.000 0.744 169 E HN 0.691 nan 8.360 nan 0.000 0.451 170 S N 0.170 115.858 115.700 -0.020 0.000 2.383 170 S HA -0.236 4.235 4.470 0.001 0.000 0.229 170 S C 1.794 176.377 174.600 -0.028 0.000 1.030 170 S CA 1.486 59.695 58.200 0.015 0.000 1.002 170 S CB -0.415 62.822 63.200 0.061 0.000 0.829 170 S HN 0.361 nan 8.310 nan 0.000 0.467 171 E N 1.159 121.213 120.200 -0.243 0.000 2.047 171 E HA -0.035 4.316 4.350 0.001 0.000 0.191 171 E C 2.072 178.790 176.600 0.198 0.000 0.987 171 E CA 1.051 57.325 56.400 -0.210 0.000 0.799 171 E CB -0.397 29.202 29.700 -0.169 0.000 0.752 171 E HN 0.413 nan 8.360 nan 0.000 0.449 172 L N 0.952 122.204 121.223 0.048 0.000 2.021 172 L HA -0.232 4.109 4.340 0.001 0.000 0.215 172 L C 2.241 179.108 176.870 -0.004 0.000 1.074 172 L CA 1.558 56.367 54.840 -0.053 0.000 0.760 172 L CB -0.407 41.560 42.059 -0.153 0.000 0.889 172 L HN -0.015 nan 8.230 nan 0.000 0.433 173 V N -0.626 119.313 119.914 0.041 0.000 2.295 173 V HA -0.329 3.792 4.120 0.001 0.000 0.246 173 V C 2.304 178.494 176.094 0.160 0.000 1.049 173 V CA 2.210 64.545 62.300 0.059 0.000 1.024 173 V CB -0.905 30.951 31.823 0.054 0.000 0.648 173 V HN 0.601 nan 8.190 nan 0.000 0.447 174 F N 1.894 121.931 119.950 0.146 0.000 2.161 174 F HA -0.074 4.454 4.527 0.001 0.000 0.300 174 F C 2.110 178.066 175.800 0.260 0.000 1.089 174 F CA 1.746 59.887 58.000 0.235 0.000 1.282 174 F CB -0.755 38.458 39.000 0.355 0.000 1.010 174 F HN 0.126 nan 8.300 nan 0.000 0.485 175 G N -0.260 108.716 108.800 0.293 0.000 2.402 175 G HA2 -0.176 3.785 3.960 0.001 0.000 0.216 175 G HA3 -0.176 3.785 3.960 0.001 0.000 0.216 175 G C 1.833 176.648 174.900 -0.142 0.000 1.162 175 G CA 0.752 45.913 45.100 0.102 0.000 0.777 175 G HN 0.615 nan 8.290 nan 0.000 0.539 176 A N 1.080 123.829 122.820 -0.118 0.000 1.865 176 A HA -0.055 4.266 4.320 0.001 0.000 0.217 176 A C 2.289 179.875 177.584 0.003 0.000 1.191 176 A CA 2.074 54.044 52.037 -0.112 0.000 0.623 176 A CB -0.446 18.520 19.000 -0.057 0.000 0.826 176 A HN 0.367 nan 8.150 nan 0.000 0.444 177 K N -1.174 119.266 120.400 0.066 0.000 2.152 177 K HA -0.207 4.114 4.320 0.001 0.000 0.206 177 K C 2.309 178.979 176.600 0.115 0.000 1.048 177 K CA 1.690 58.109 56.287 0.220 0.000 0.933 177 K CB -0.089 32.559 32.500 0.247 0.000 0.721 177 K HN 0.505 nan 8.250 nan 0.000 0.447 178 Q N 0.199 119.893 119.800 -0.175 0.000 2.187 178 Q HA 0.049 4.389 4.340 0.001 0.000 0.199 178 Q C 1.774 177.634 176.000 -0.234 0.000 0.957 178 Q CA 1.181 56.778 55.803 -0.343 0.000 0.857 178 Q CB 0.042 28.442 28.738 -0.562 0.000 0.929 178 Q HN 0.307 nan 8.270 nan 0.000 0.453 179 A N -0.580 122.105 122.820 -0.225 0.000 1.930 179 A HA -0.159 4.162 4.320 0.001 0.000 0.217 179 A C 1.754 179.325 177.584 -0.022 0.000 1.175 179 A CA 1.305 53.142 52.037 -0.333 0.000 0.627 179 A CB -1.007 17.466 19.000 -0.878 0.000 0.815 179 A HN 0.689 nan 8.150 nan 0.000 0.443 180 W N 0.910 122.196 121.300 -0.024 0.000 2.407 180 W HA -0.078 4.583 4.660 0.001 0.000 0.305 180 W C 2.284 178.787 176.519 -0.026 0.000 1.196 180 W CA 1.330 58.733 57.345 0.097 0.000 1.311 180 W CB -0.769 28.749 29.460 0.096 0.000 1.135 180 W HN 0.343 nan 8.180 nan 0.000 0.514 181 R N 0.289 120.718 120.500 -0.118 0.000 2.119 181 R HA -0.232 4.109 4.340 0.001 0.000 0.246 181 R C 1.604 177.749 176.300 -0.258 0.000 1.146 181 R CA 2.045 57.849 56.100 -0.492 0.000 0.962 181 R CB -0.618 29.086 30.300 -0.992 0.000 0.863 181 R HN 0.126 nan 8.270 nan 0.000 0.442 182 N N -0.038 118.569 118.700 -0.155 0.000 2.398 182 N HA 0.024 4.765 4.740 0.001 0.000 0.188 182 N C -0.480 175.012 175.510 -0.030 0.000 1.122 182 N CA 0.604 53.593 53.050 -0.101 0.000 0.866 182 N CB 0.522 38.953 38.487 -0.094 0.000 0.970 182 N HN 0.175 nan 8.380 nan 0.000 0.462 183 A N 2.004 124.858 122.820 0.058 0.000 2.475 183 A HA 0.262 4.583 4.320 0.001 0.000 0.293 183 A C -1.299 176.309 177.584 0.040 0.000 1.252 183 A CA -0.978 51.116 52.037 0.095 0.000 0.920 183 A CB 0.346 19.475 19.000 0.215 0.000 1.125 183 A HN -0.001 nan 8.150 nan 0.000 0.528 184 P HA -0.101 nan 4.420 nan 0.000 0.220 184 P C 1.035 178.307 177.300 -0.046 0.000 1.148 184 P CA 1.039 64.109 63.100 -0.051 0.000 0.803 184 P CB 0.163 31.793 31.700 -0.116 0.000 0.782 185 R N -1.869 118.574 120.500 -0.094 0.000 2.320 185 R HA 0.142 4.483 4.340 0.001 0.000 0.211 185 R C 0.169 176.498 176.300 0.048 0.000 0.931 185 R CA -0.112 55.945 56.100 -0.071 0.000 1.071 185 R CB -0.536 29.514 30.300 -0.416 0.000 1.025 185 R HN 0.187 nan 8.270 nan 0.000 0.495 186 C N 0.285 119.606 119.300 0.036 0.000 2.273 186 C HA 0.262 4.723 4.460 0.001 0.000 0.328 186 C C 1.750 176.727 174.990 -0.021 0.000 1.275 186 C CA -0.712 58.355 59.018 0.082 0.000 1.704 186 C CB 0.765 28.637 27.740 0.220 0.000 2.326 186 C HN 0.281 nan 8.230 nan 0.000 0.517 187 V N 5.922 125.780 119.914 -0.094 0.000 3.541 187 V HA 0.212 4.333 4.120 0.001 0.000 0.267 187 V C 1.825 177.969 176.094 0.083 0.000 1.213 187 V CA 2.041 64.190 62.300 -0.251 0.000 1.149 187 V CB -0.051 31.630 31.823 -0.236 0.000 0.822 187 V HN 1.085 nan 8.190 nan 0.000 0.462 188 G N -0.604 108.278 108.800 0.136 0.000 3.181 188 G HA2 -0.011 3.950 3.960 0.001 0.000 0.219 188 G HA3 -0.011 3.950 3.960 0.001 0.000 0.219 188 G C 1.328 176.285 174.900 0.095 0.000 1.182 188 G CA -0.259 44.940 45.100 0.165 0.000 0.791 188 G HN 0.445 nan 8.290 nan 0.000 0.537 189 R N -0.317 120.160 120.500 -0.038 0.000 2.293 189 R HA 0.067 4.408 4.340 0.001 0.000 0.219 189 R C 2.058 177.923 176.300 -0.725 0.000 1.091 189 R CA 0.226 55.999 56.100 -0.546 0.000 1.004 189 R CB -0.221 29.749 30.300 -0.549 0.000 0.865 189 R HN 0.441 nan 8.270 nan 0.000 0.469 190 I N 1.009 121.335 120.570 -0.407 0.000 2.530 190 I HA -0.272 3.899 4.170 0.001 0.000 0.257 190 I C 1.520 177.547 176.117 -0.149 0.000 1.179 190 I CA 1.381 62.599 61.300 -0.137 0.000 1.440 190 I CB 0.154 38.180 38.000 0.043 0.000 1.087 190 I HN 0.145 nan 8.210 nan 0.000 0.440 191 Q N 0.315 119.968 119.800 -0.244 0.000 2.403 191 Q HA -0.103 4.237 4.340 0.001 0.000 0.203 191 Q C 1.616 177.243 176.000 -0.622 0.000 0.932 191 Q CA 0.479 56.132 55.803 -0.250 0.000 0.945 191 Q CB -0.285 28.467 28.738 0.024 0.000 1.045 191 Q HN 0.811 nan 8.270 nan 0.000 0.511 192 W N -0.067 120.610 121.300 -1.037 0.000 2.331 192 W HA -0.124 4.537 4.660 0.001 0.000 0.291 192 W C 1.117 177.374 176.519 -0.437 0.000 1.214 192 W CA 1.171 57.790 57.345 -1.211 0.000 1.228 192 W CB -1.158 27.766 29.460 -0.895 0.000 1.135 192 W HN 0.088 nan 8.180 nan 0.000 0.537 193 G N 1.069 109.301 108.800 -0.948 0.000 2.813 193 G HA2 -0.125 3.835 3.960 0.001 0.000 0.209 193 G HA3 -0.125 3.835 3.960 0.001 0.000 0.209 193 G C 0.625 175.340 174.900 -0.308 0.000 1.150 193 G CA -0.067 44.523 45.100 -0.849 0.000 0.785 193 G HN 0.225 nan 8.290 nan 0.000 0.535 194 K N 0.160 120.473 120.400 -0.145 0.000 2.478 194 K HA 0.571 4.892 4.320 0.001 0.000 0.236 194 K C -1.679 175.044 176.600 0.205 0.000 1.021 194 K CA -0.684 55.620 56.287 0.027 0.000 1.010 194 K CB 0.529 33.057 32.500 0.048 0.000 1.331 194 K HN 0.029 nan 8.250 nan 0.000 0.470 195 L N 3.127 124.449 121.223 0.164 0.000 2.528 195 L HA 0.345 4.686 4.340 0.001 0.000 0.267 195 L C -1.489 175.401 176.870 0.033 0.000 0.961 195 L CA -0.367 54.589 54.840 0.192 0.000 0.866 195 L CB 1.929 44.175 42.059 0.311 0.000 1.248 195 L HN 0.520 nan 8.230 nan 0.000 0.404 196 Q N 3.060 122.841 119.800 -0.032 0.000 2.295 196 Q HA 0.545 4.886 4.340 0.001 0.000 0.259 196 Q C -1.515 174.227 176.000 -0.430 0.000 0.976 196 Q CA 0.055 55.681 55.803 -0.294 0.000 0.923 196 Q CB 1.209 29.704 28.738 -0.405 0.000 1.185 196 Q HN 0.510 nan 8.270 nan 0.000 0.410 197 V N 6.375 126.003 119.914 -0.477 0.000 2.357 197 V HA 0.417 4.537 4.120 0.001 0.000 0.284 197 V C -0.786 175.002 176.094 -0.509 0.000 1.018 197 V CA -0.578 61.504 62.300 -0.363 0.000 0.841 197 V CB 0.516 32.229 31.823 -0.184 0.000 0.991 197 V HN 0.646 nan 8.190 nan 0.000 0.437 198 F N 2.607 122.442 119.950 -0.192 0.000 2.405 198 F HA 0.374 4.902 4.527 0.001 0.000 0.355 198 F C 0.580 176.246 175.800 -0.223 0.000 1.121 198 F CA -0.713 57.178 58.000 -0.182 0.000 1.112 198 F CB 1.027 39.932 39.000 -0.157 0.000 1.126 198 F HN 0.409 nan 8.300 nan 0.000 0.481 199 D N 3.260 123.644 120.400 -0.027 0.000 2.352 199 D HA 0.315 4.956 4.640 0.001 0.000 0.245 199 D C 0.160 176.340 176.300 -0.199 0.000 1.224 199 D CA 0.140 54.065 54.000 -0.125 0.000 0.879 199 D CB 1.114 41.870 40.800 -0.073 0.000 1.057 199 D HN 0.627 nan 8.370 nan 0.000 0.491 200 A N 4.609 127.130 122.820 -0.498 0.000 2.630 200 A HA 0.156 4.477 4.320 0.001 0.000 0.290 200 A C 1.599 178.885 177.584 -0.496 0.000 1.267 200 A CA -0.387 51.088 52.037 -0.937 0.000 0.950 200 A CB 0.027 17.927 19.000 -1.834 0.000 1.144 200 A HN 0.544 nan 8.150 nan 0.000 0.527 201 R N 0.831 121.182 120.500 -0.249 0.000 2.280 201 R HA -0.052 4.288 4.340 0.001 0.000 0.207 201 R C 0.299 176.550 176.300 -0.081 0.000 1.043 201 R CA 1.077 57.101 56.100 -0.126 0.000 1.006 201 R CB 0.055 30.341 30.300 -0.024 0.000 0.885 201 R HN 0.640 nan 8.270 nan 0.000 0.467 202 D N 0.096 120.470 120.400 -0.043 0.000 2.889 202 D HA -0.025 4.616 4.640 0.001 0.000 0.243 202 D C -0.603 175.757 176.300 0.099 0.000 1.270 202 D CA -0.283 53.740 54.000 0.038 0.000 0.838 202 D CB -0.415 40.427 40.800 0.070 0.000 1.040 202 D HN -0.019 nan 8.370 nan 0.000 0.480 203 C N 1.041 120.365 119.300 0.040 0.000 2.341 203 C HA 0.609 5.070 4.460 0.001 0.000 0.338 203 C C 1.189 176.280 174.990 0.168 0.000 1.257 203 C CA -0.124 58.977 59.018 0.138 0.000 1.883 203 C CB 0.702 28.508 27.740 0.109 0.000 2.334 203 C HN 0.477 nan 8.230 nan 0.000 0.524 204 S N 2.154 118.008 115.700 0.257 0.000 2.900 204 S HA 0.369 4.840 4.470 0.001 0.000 0.253 204 S C -0.210 174.551 174.600 0.269 0.000 1.029 204 S CA 0.130 58.518 58.200 0.313 0.000 1.096 204 S CB -0.349 62.970 63.200 0.198 0.000 1.067 204 S HN 1.395 nan 8.310 nan 0.000 0.610 205 S N -0.463 115.397 115.700 0.267 0.000 2.543 205 S HA 0.767 5.238 4.470 0.001 0.000 0.274 205 S C 0.855 175.536 174.600 0.134 0.000 1.149 205 S CA -0.359 57.937 58.200 0.160 0.000 0.866 205 S CB 0.876 64.150 63.200 0.123 0.000 1.111 205 S HN 0.667 nan 8.310 nan 0.000 0.457 206 A N 1.699 124.576 122.820 0.094 0.000 1.903 206 A HA -0.186 4.135 4.320 0.001 0.000 0.219 206 A C 2.187 179.744 177.584 -0.045 0.000 1.191 206 A CA 2.158 54.243 52.037 0.080 0.000 0.638 206 A CB -1.122 18.004 19.000 0.209 0.000 0.823 206 A HN 0.796 nan 8.150 nan 0.000 0.451 207 Q N -0.369 119.468 119.800 0.061 0.000 2.029 207 Q HA -0.250 4.091 4.340 0.001 0.000 0.209 207 Q C 1.989 177.981 176.000 -0.014 0.000 0.999 207 Q CA 2.358 58.152 55.803 -0.015 0.000 0.857 207 Q CB -0.529 28.282 28.738 0.123 0.000 0.926 207 Q HN 0.843 nan 8.270 nan 0.000 0.415 208 E N -0.353 119.893 120.200 0.077 0.000 2.118 208 E HA -0.179 4.171 4.350 0.001 0.000 0.195 208 E C 2.163 178.914 176.600 0.251 0.000 0.992 208 E CA 1.222 57.713 56.400 0.152 0.000 0.804 208 E CB -0.148 29.690 29.700 0.229 0.000 0.741 208 E HN 0.351 nan 8.360 nan 0.000 0.458 209 M N -0.144 119.536 119.600 0.133 0.000 2.082 209 M HA -0.194 4.287 4.480 0.001 0.000 0.258 209 M C 2.204 178.557 176.300 0.088 0.000 1.069 209 M CA 1.381 56.692 55.300 0.018 0.000 1.102 209 M CB -0.406 31.986 32.600 -0.348 0.000 1.336 209 M HN 0.132 nan 8.290 nan 0.000 0.404 210 F N 1.459 121.218 119.950 -0.319 0.000 2.065 210 F HA -0.238 4.289 4.527 0.001 0.000 0.298 210 F C 2.379 178.073 175.800 -0.177 0.000 1.112 210 F CA 2.130 59.883 58.000 -0.410 0.000 1.212 210 F CB -0.943 37.472 39.000 -0.974 0.000 0.975 210 F HN 0.078 nan 8.300 nan 0.000 0.476 211 T N -0.363 114.037 114.554 -0.256 0.000 2.699 211 T HA -0.269 4.082 4.350 0.001 0.000 0.268 211 T C 1.742 176.271 174.700 -0.284 0.000 1.036 211 T CA 2.037 63.933 62.100 -0.340 0.000 1.147 211 T CB -0.805 67.914 68.868 -0.248 0.000 0.862 211 T HN 0.325 nan 8.240 nan 0.000 0.446 212 Y N 0.887 121.130 120.300 -0.097 0.000 2.145 212 Y HA 0.003 4.554 4.550 0.001 0.000 0.286 212 Y C 2.304 178.146 175.900 -0.095 0.000 1.145 212 Y CA 0.663 58.718 58.100 -0.074 0.000 1.148 212 Y CB -0.516 37.995 38.460 0.085 0.000 0.981 212 Y HN 0.167 nan 8.280 nan 0.000 0.507 213 I N -1.357 119.298 120.570 0.141 0.000 2.208 213 I HA -0.384 3.787 4.170 0.001 0.000 0.245 213 I C 2.261 178.315 176.117 -0.106 0.000 1.097 213 I CA 1.152 62.469 61.300 0.029 0.000 1.363 213 I CB -0.510 37.512 38.000 0.037 0.000 1.051 213 I HN 0.316 nan 8.210 nan 0.000 0.413 214 C N 0.369 119.494 119.300 -0.292 0.000 2.429 214 C HA -0.159 4.302 4.460 0.001 0.000 0.277 214 C C 2.656 177.532 174.990 -0.190 0.000 1.262 214 C CA 1.521 60.350 59.018 -0.315 0.000 1.733 214 C CB -1.531 25.882 27.740 -0.544 0.000 2.010 214 C HN 0.610 nan 8.230 nan 0.000 0.483 215 N N 0.046 118.615 118.700 -0.217 0.000 2.188 215 N HA -0.182 4.559 4.740 0.001 0.000 0.184 215 N C 1.614 177.002 175.510 -0.204 0.000 1.018 215 N CA 1.822 54.739 53.050 -0.222 0.000 0.858 215 N CB -0.523 37.768 38.487 -0.325 0.000 0.989 215 N HN 0.729 nan 8.380 nan 0.000 0.426 216 H N -0.429 118.450 119.070 -0.319 0.000 2.290 216 H HA -0.063 4.494 4.556 0.001 0.000 0.298 216 H C 1.949 177.279 175.328 0.003 0.000 1.087 216 H CA 2.224 58.143 56.048 -0.215 0.000 1.291 216 H CB -0.123 29.567 29.762 -0.121 0.000 1.369 216 H HN 0.248 nan 8.280 nan 0.000 0.492 217 I N 0.810 121.513 120.570 0.223 0.000 2.142 217 I HA -0.298 3.872 4.170 0.001 0.000 0.240 217 I C 2.737 178.923 176.117 0.115 0.000 1.078 217 I CA 1.457 62.854 61.300 0.162 0.000 1.343 217 I CB -0.385 37.639 38.000 0.039 0.000 1.046 217 I HN 0.323 nan 8.210 nan 0.000 0.405 218 K N 0.933 121.365 120.400 0.055 0.000 2.020 218 K HA -0.299 4.022 4.320 0.001 0.000 0.212 218 K C 2.334 178.979 176.600 0.075 0.000 1.050 218 K CA 2.165 58.476 56.287 0.040 0.000 0.929 218 K CB -0.766 31.737 32.500 0.004 0.000 0.714 218 K HN 0.321 nan 8.250 nan 0.000 0.443 219 Y N 0.873 121.174 120.300 0.003 0.000 2.097 219 Y HA -0.234 4.317 4.550 0.001 0.000 0.282 219 Y C 2.248 178.197 175.900 0.082 0.000 1.152 219 Y CA 2.532 60.665 58.100 0.055 0.000 1.136 219 Y CB -0.535 37.992 38.460 0.111 0.000 0.975 219 Y HN 0.222 nan 8.280 nan 0.000 0.498 220 A N -1.021 121.943 122.820 0.240 0.000 1.969 220 A HA -0.128 4.193 4.320 0.001 0.000 0.218 220 A C 2.176 179.817 177.584 0.096 0.000 1.169 220 A CA 2.064 54.220 52.037 0.198 0.000 0.635 220 A CB -1.168 18.005 19.000 0.287 0.000 0.810 220 A HN 0.528 nan 8.150 nan 0.000 0.445 221 T N -0.535 114.068 114.554 0.082 0.000 2.732 221 T HA -0.071 4.280 4.350 0.001 0.000 0.261 221 T C 1.022 175.727 174.700 0.008 0.000 1.040 221 T CA 0.928 63.068 62.100 0.066 0.000 1.145 221 T CB -0.435 68.473 68.868 0.066 0.000 0.866 221 T HN 0.733 nan 8.240 nan 0.000 0.427 222 N N 0.819 119.493 118.700 -0.043 0.000 2.727 222 N HA -0.270 4.470 4.740 0.001 0.000 0.249 222 N C -0.677 174.804 175.510 -0.048 0.000 1.048 222 N CA 0.269 53.268 53.050 -0.085 0.000 0.714 222 N CB -0.557 37.834 38.487 -0.160 0.000 0.959 222 N HN 0.412 nan 8.380 nan 0.000 0.544 223 R N -2.206 118.278 120.500 -0.026 0.000 3.641 223 R HA -0.236 4.105 4.340 0.001 0.000 0.286 223 R C 1.180 177.465 176.300 -0.025 0.000 1.153 223 R CA 1.201 57.287 56.100 -0.023 0.000 0.775 223 R CB -2.073 28.210 30.300 -0.028 0.000 1.215 223 R HN 0.816 nan 8.270 nan 0.000 0.474 224 G N -0.396 108.398 108.800 -0.011 0.000 2.218 224 G HA2 -0.341 3.620 3.960 0.001 0.000 0.216 224 G HA3 -0.341 3.620 3.960 0.001 0.000 0.216 224 G C -0.095 174.800 174.900 -0.009 0.000 0.994 224 G CA 0.068 45.164 45.100 -0.007 0.000 0.637 224 G HN 0.497 nan 8.290 nan 0.000 0.505 225 N N 1.107 119.790 118.700 -0.028 0.000 2.918 225 N HA 0.443 5.183 4.740 0.001 0.000 0.247 225 N C 0.096 175.589 175.510 -0.028 0.000 1.117 225 N CA -0.687 52.331 53.050 -0.052 0.000 1.005 225 N CB -0.029 38.419 38.487 -0.066 0.000 1.297 225 N HN 0.105 nan 8.380 nan 0.000 0.513 226 L N 2.403 123.640 121.223 0.023 0.000 2.456 226 L HA 0.181 4.522 4.340 0.001 0.000 0.272 226 L C 0.697 177.708 176.870 0.234 0.000 1.189 226 L CA 0.756 55.690 54.840 0.157 0.000 0.846 226 L CB 0.403 42.656 42.059 0.322 0.000 1.111 226 L HN 0.367 nan 8.230 nan 0.000 0.475 227 R N 1.206 121.844 120.500 0.229 0.000 2.513 227 R HA 0.420 4.761 4.340 0.001 0.000 0.301 227 R C -0.588 175.895 176.300 0.306 0.000 0.968 227 R CA -0.650 55.610 56.100 0.267 0.000 0.872 227 R CB 1.712 32.051 30.300 0.065 0.000 1.177 227 R HN 0.608 nan 8.270 nan 0.000 0.444 228 S N 1.567 117.448 115.700 0.301 0.000 2.552 228 S HA 0.334 4.805 4.470 0.001 0.000 0.289 228 S C -0.195 174.490 174.600 0.142 0.000 1.304 228 S CA -0.067 58.212 58.200 0.131 0.000 1.063 228 S CB 0.990 64.235 63.200 0.076 0.000 0.848 228 S HN 0.687 nan 8.310 nan 0.000 0.499 229 A N 2.851 125.714 122.820 0.072 0.000 2.594 229 A HA 0.809 5.130 4.320 0.001 0.000 0.295 229 A C -1.125 176.508 177.584 0.082 0.000 1.071 229 A CA -0.646 51.391 52.037 0.000 0.000 0.685 229 A CB 1.215 20.139 19.000 -0.126 0.000 1.285 229 A HN 0.790 nan 8.150 nan 0.000 0.405 230 I N 0.539 121.159 120.570 0.082 0.000 2.769 230 I HA 0.682 4.852 4.170 0.001 0.000 0.298 230 I C -1.053 175.203 176.117 0.231 0.000 1.128 230 I CA -0.220 61.235 61.300 0.259 0.000 1.031 230 I CB 2.483 40.596 38.000 0.189 0.000 1.235 230 I HN 0.624 nan 8.210 nan 0.000 0.423 231 T N 5.863 120.572 114.554 0.260 0.000 2.824 231 T HA 0.491 4.841 4.350 0.001 0.000 0.282 231 T C -0.927 173.603 174.700 -0.285 0.000 0.993 231 T CA -0.375 61.722 62.100 -0.005 0.000 0.967 231 T CB 1.733 70.583 68.868 -0.030 0.000 0.960 231 T HN 0.256 nan 8.240 nan 0.000 0.441 232 V N 4.778 124.434 119.914 -0.431 0.000 2.350 232 V HA 0.501 4.621 4.120 0.001 0.000 0.285 232 V C -0.613 175.196 176.094 -0.476 0.000 1.014 232 V CA -0.815 61.258 62.300 -0.377 0.000 0.831 232 V CB 0.311 31.897 31.823 -0.395 0.000 1.000 232 V HN 0.732 nan 8.190 nan 0.000 0.433 233 F N 5.149 125.037 119.950 -0.103 0.000 2.375 233 F HA 0.539 5.067 4.527 0.001 0.000 0.317 233 F C -1.843 173.864 175.800 -0.156 0.000 1.124 233 F CA -2.448 55.415 58.000 -0.228 0.000 1.050 233 F CB 0.329 39.192 39.000 -0.229 0.000 1.314 233 F HN 0.284 nan 8.300 nan 0.000 0.511 234 P HA 0.007 nan 4.420 nan 0.000 0.266 234 P C -1.048 176.240 177.300 -0.021 0.000 1.195 234 P CA -0.203 62.781 63.100 -0.194 0.000 0.768 234 P CB 0.216 31.578 31.700 -0.564 0.000 0.838 235 Q N 3.306 123.062 119.800 -0.074 0.000 2.454 235 Q HA 0.141 4.482 4.340 0.001 0.000 0.247 235 Q C -0.137 175.768 176.000 -0.158 0.000 1.028 235 Q CA -0.432 55.118 55.803 -0.421 0.000 0.910 235 Q CB 0.478 28.713 28.738 -0.838 0.000 1.276 235 Q HN 0.322 nan 8.270 nan 0.000 0.489 236 R N 0.205 120.593 120.500 -0.187 0.000 2.583 236 R HA 0.205 4.546 4.340 0.001 0.000 0.274 236 R C -0.616 175.630 176.300 -0.090 0.000 0.998 236 R CA 0.617 56.668 56.100 -0.083 0.000 1.081 236 R CB 0.175 30.415 30.300 -0.101 0.000 0.940 236 R HN 0.710 nan 8.270 nan 0.000 0.413 237 A N 4.669 127.478 122.820 -0.019 0.000 2.386 237 A HA 0.448 4.769 4.320 0.001 0.000 0.311 237 A C -1.599 175.980 177.584 -0.008 0.000 1.068 237 A CA -1.465 50.564 52.037 -0.012 0.000 0.743 237 A CB 1.409 20.431 19.000 0.035 0.000 1.258 237 A HN 0.480 nan 8.150 nan 0.000 0.429 238 P HA -0.106 nan 4.420 nan 0.000 0.219 238 P C 1.221 178.522 177.300 0.002 0.000 1.146 238 P CA 1.781 64.876 63.100 -0.007 0.000 0.808 238 P CB 0.098 31.795 31.700 -0.005 0.000 0.779 239 G N -0.184 108.622 108.800 0.010 0.000 3.026 239 G HA2 0.108 4.069 3.960 0.001 0.000 0.208 239 G HA3 0.108 4.069 3.960 0.001 0.000 0.208 239 G C 0.518 175.423 174.900 0.009 0.000 1.169 239 G CA -0.156 44.951 45.100 0.012 0.000 0.788 239 G HN 0.462 nan 8.290 nan 0.000 0.533 240 R N -2.863 117.640 120.500 0.005 0.000 2.765 240 R HA 0.507 4.848 4.340 0.001 0.000 0.277 240 R C 0.121 176.415 176.300 -0.010 0.000 1.028 240 R CA -0.453 55.645 56.100 -0.003 0.000 0.860 240 R CB -0.133 30.165 30.300 -0.003 0.000 1.270 240 R HN 0.073 nan 8.270 nan 0.000 0.484 241 G N 0.290 109.074 108.800 -0.025 0.000 2.699 241 G HA2 0.249 4.210 3.960 0.001 0.000 0.246 241 G HA3 0.249 4.210 3.960 0.001 0.000 0.246 241 G C -0.852 174.024 174.900 -0.039 0.000 1.219 241 G CA -0.327 44.756 45.100 -0.028 0.000 0.866 241 G HN 0.588 nan 8.290 nan 0.000 0.572 242 D N -0.599 119.793 120.400 -0.012 0.000 2.283 242 D HA 0.294 4.935 4.640 0.001 0.000 0.248 242 D C -0.069 176.227 176.300 -0.007 0.000 1.072 242 D CA -0.006 54.017 54.000 0.038 0.000 0.929 242 D CB 1.002 41.838 40.800 0.060 0.000 1.182 242 D HN 0.100 nan 8.370 nan 0.000 0.433 243 F N 1.557 121.524 119.950 0.028 0.000 2.495 243 F HA 0.221 4.749 4.527 0.001 0.000 0.365 243 F C 1.225 177.043 175.800 0.030 0.000 1.090 243 F CA 0.288 58.294 58.000 0.010 0.000 1.235 243 F CB 0.464 39.464 39.000 -0.001 0.000 1.119 243 F HN -0.180 nan 8.300 nan 0.000 0.562 244 R N 3.517 124.129 120.500 0.186 0.000 2.668 244 R HA 0.517 4.857 4.340 0.001 0.000 0.272 244 R C -1.252 175.171 176.300 0.204 0.000 1.019 244 R CA -0.920 55.294 56.100 0.191 0.000 0.894 244 R CB 2.198 32.632 30.300 0.222 0.000 1.228 244 R HN 0.599 nan 8.270 nan 0.000 0.460 245 I N 1.494 122.171 120.570 0.178 0.000 2.336 245 I HA 0.202 4.373 4.170 0.001 0.000 0.292 245 I C 0.547 176.848 176.117 0.307 0.000 0.991 245 I CA -0.449 60.962 61.300 0.185 0.000 1.227 245 I CB 1.283 39.336 38.000 0.087 0.000 1.366 245 I HN 0.514 nan 8.210 nan 0.000 0.466 246 W N 3.250 124.571 121.300 0.036 0.000 2.453 246 W HA -0.023 4.638 4.660 0.002 0.000 0.289 246 W C 0.982 177.586 176.519 0.140 0.000 1.215 246 W CA 0.083 57.508 57.345 0.134 0.000 1.297 246 W CB -0.735 28.791 29.460 0.110 0.000 1.113 246 W HN 0.402 nan 8.180 nan 0.000 0.551 247 N N 0.114 118.964 118.700 0.249 0.000 2.441 247 N HA -0.019 4.722 4.740 0.001 0.000 0.251 247 N C 1.336 176.896 175.510 0.083 0.000 1.242 247 N CA 0.962 54.085 53.050 0.121 0.000 0.898 247 N CB 0.706 39.205 38.487 0.020 0.000 1.100 247 N HN -0.073 nan 8.380 nan 0.000 0.443 248 S N 0.600 116.341 115.700 0.068 0.000 2.446 248 S HA 0.027 4.498 4.470 0.001 0.000 0.225 248 S C 0.291 174.873 174.600 -0.030 0.000 1.016 248 S CA 0.461 58.682 58.200 0.035 0.000 0.943 248 S CB 0.135 63.388 63.200 0.089 0.000 0.786 248 S HN 0.635 nan 8.310 nan 0.000 0.508 249 Q N -0.463 119.310 119.800 -0.045 0.000 2.423 249 Q HA 0.524 4.865 4.340 0.001 0.000 0.278 249 Q C 0.266 176.176 176.000 -0.150 0.000 1.097 249 Q CA -0.560 55.175 55.803 -0.112 0.000 0.809 249 Q CB 2.053 30.749 28.738 -0.069 0.000 1.391 249 Q HN 0.113 nan 8.270 nan 0.000 0.428 250 L N 0.112 121.222 121.223 -0.190 0.000 2.083 250 L HA -0.015 4.326 4.340 0.001 0.000 0.209 250 L C 0.415 177.139 176.870 -0.243 0.000 1.083 250 L CA 0.924 55.653 54.840 -0.184 0.000 0.752 250 L CB 0.005 41.947 42.059 -0.195 0.000 0.899 250 L HN 0.289 nan 8.230 nan 0.000 0.433 251 V N 0.533 120.219 119.914 -0.380 0.000 2.487 251 V HA 0.519 4.639 4.120 0.001 0.000 0.298 251 V C -0.198 175.344 176.094 -0.919 0.000 1.028 251 V CA -0.695 61.208 62.300 -0.662 0.000 0.860 251 V CB 1.822 33.146 31.823 -0.831 0.000 0.991 251 V HN 0.190 nan 8.190 nan 0.000 0.427 252 R N 2.491 122.554 120.500 -0.729 0.000 2.663 252 R HA 0.467 4.807 4.340 0.001 0.000 0.267 252 R C -1.990 174.081 176.300 -0.382 0.000 1.038 252 R CA -0.821 54.989 56.100 -0.483 0.000 0.886 252 R CB 2.450 32.647 30.300 -0.173 0.000 1.249 252 R HN 0.583 nan 8.270 nan 0.000 0.463 253 Y N 0.389 120.689 120.300 -0.001 0.000 2.323 253 Y HA 0.433 4.984 4.550 0.001 0.000 0.331 253 Y C 0.907 176.785 175.900 -0.038 0.000 1.092 253 Y CA -0.661 57.457 58.100 0.030 0.000 1.150 253 Y CB 1.296 39.858 38.460 0.169 0.000 1.200 253 Y HN 0.706 nan 8.280 nan 0.000 0.472 254 A N 1.942 124.811 122.820 0.081 0.000 2.555 254 A HA 0.435 4.756 4.320 0.001 0.000 0.233 254 A C 0.706 178.079 177.584 -0.352 0.000 1.060 254 A CA 0.570 52.494 52.037 -0.189 0.000 0.759 254 A CB -0.357 18.477 19.000 -0.277 0.000 0.995 254 A HN 0.972 nan 8.150 nan 0.000 0.506 255 G N 0.799 109.361 108.800 -0.397 0.000 2.675 255 G HA2 0.542 4.503 3.960 0.001 0.000 0.297 255 G HA3 0.542 4.503 3.960 0.001 0.000 0.297 255 G C -1.166 173.543 174.900 -0.318 0.000 1.399 255 G CA -0.309 44.587 45.100 -0.340 0.000 0.981 255 G HN 0.518 nan 8.290 nan 0.000 0.519 256 Y N 1.559 121.869 120.300 0.018 0.000 2.385 256 Y HA 0.425 4.976 4.550 0.001 0.000 0.341 256 Y C 0.994 176.893 175.900 -0.001 0.000 0.965 256 Y CA -1.146 56.967 58.100 0.021 0.000 1.180 256 Y CB 1.138 39.606 38.460 0.014 0.000 1.139 256 Y HN 0.485 nan 8.280 nan 0.000 0.502 257 R N 3.388 123.968 120.500 0.134 0.000 2.449 257 R HA 0.102 4.443 4.340 0.001 0.000 0.296 257 R C -0.366 175.979 176.300 0.075 0.000 1.047 257 R CA 0.044 56.190 56.100 0.077 0.000 1.018 257 R CB 0.439 30.773 30.300 0.056 0.000 0.962 257 R HN 0.717 nan 8.270 nan 0.000 0.428 258 Q N 2.532 122.363 119.800 0.051 0.000 2.241 258 Q HA 0.054 4.395 4.340 0.001 0.000 0.262 258 Q C 0.756 176.767 176.000 0.018 0.000 1.014 258 Q CA -0.634 55.189 55.803 0.033 0.000 0.885 258 Q CB 1.810 30.565 28.738 0.028 0.000 1.311 258 Q HN 0.634 nan 8.270 nan 0.000 0.461 259 Q N 0.639 120.444 119.800 0.007 0.000 2.096 259 Q HA -0.246 4.095 4.340 0.001 0.000 0.208 259 Q C 0.546 176.548 176.000 0.005 0.000 0.993 259 Q CA 2.231 58.035 55.803 0.003 0.000 0.862 259 Q CB -0.220 28.515 28.738 -0.005 0.000 0.915 259 Q HN 0.629 nan 8.270 nan 0.000 0.416 260 D N -1.420 118.983 120.400 0.004 0.000 2.413 260 D HA 0.200 4.840 4.640 0.001 0.000 0.237 260 D C 0.855 177.160 176.300 0.008 0.000 1.171 260 D CA 0.491 54.494 54.000 0.004 0.000 0.839 260 D CB -0.087 40.714 40.800 0.002 0.000 0.950 260 D HN 0.320 nan 8.370 nan 0.000 0.499 261 G N -0.099 108.708 108.800 0.011 0.000 2.212 261 G HA2 -0.326 3.635 3.960 0.001 0.000 0.266 261 G HA3 -0.326 3.635 3.960 0.001 0.000 0.266 261 G C 0.536 175.444 174.900 0.014 0.000 0.978 261 G CA 0.539 45.647 45.100 0.014 0.000 0.632 261 G HN 0.847 nan 8.290 nan 0.000 0.537 262 S N -0.891 114.816 115.700 0.012 0.000 2.672 262 S HA 0.755 5.226 4.470 0.001 0.000 0.276 262 S C -0.055 174.550 174.600 0.009 0.000 1.207 262 S CA -0.228 57.977 58.200 0.008 0.000 1.002 262 S CB 2.577 65.780 63.200 0.005 0.000 0.998 262 S HN 1.000 nan 8.310 nan 0.000 0.542 263 V N 1.837 121.747 119.914 -0.007 0.000 2.398 263 V HA 0.481 4.602 4.120 0.001 0.000 0.286 263 V C 0.322 176.392 176.094 -0.039 0.000 1.026 263 V CA -0.825 61.464 62.300 -0.018 0.000 0.868 263 V CB 1.112 32.907 31.823 -0.048 0.000 0.982 263 V HN 0.923 nan 8.190 nan 0.000 0.443 264 R N 3.235 123.743 120.500 0.013 0.000 2.389 264 R HA 0.570 4.911 4.340 0.001 0.000 0.295 264 R C 0.807 177.044 176.300 -0.105 0.000 1.075 264 R CA 1.394 57.502 56.100 0.013 0.000 1.005 264 R CB 0.417 30.818 30.300 0.169 0.000 0.987 264 R HN 1.186 nan 8.270 nan 0.000 0.452 265 G N 2.970 111.619 108.800 -0.252 0.000 2.481 265 G HA2 -0.262 3.699 3.960 0.001 0.000 0.230 265 G HA3 -0.262 3.699 3.960 0.001 0.000 0.230 265 G C -1.210 173.262 174.900 -0.713 0.000 1.210 265 G CA -0.029 44.820 45.100 -0.418 0.000 0.936 265 G HN 0.666 nan 8.290 nan 0.000 0.583 266 D N 1.654 121.788 120.400 -0.444 0.000 2.347 266 D HA 0.545 5.186 4.640 0.001 0.000 0.235 266 D C -1.097 175.094 176.300 -0.182 0.000 1.149 266 D CA -1.926 51.860 54.000 -0.356 0.000 0.850 266 D CB 1.455 42.333 40.800 0.131 0.000 1.061 266 D HN -0.010 nan 8.370 nan 0.000 0.487 267 P HA -0.033 nan 4.420 nan 0.000 0.225 267 P C 0.716 178.026 177.300 0.016 0.000 1.148 267 P CA 0.624 63.685 63.100 -0.065 0.000 0.779 267 P CB 0.275 31.950 31.700 -0.043 0.000 0.780 268 A N -0.737 122.112 122.820 0.048 0.000 2.206 268 A HA -0.027 4.294 4.320 0.001 0.000 0.211 268 A C 1.436 179.081 177.584 0.102 0.000 1.158 268 A CA 0.949 53.049 52.037 0.105 0.000 0.761 268 A CB -0.655 18.430 19.000 0.142 0.000 0.801 268 A HN 0.117 nan 8.150 nan 0.000 0.473 269 N N -0.802 117.934 118.700 0.060 0.000 2.238 269 N HA 0.133 4.874 4.740 0.001 0.000 0.235 269 N C 1.016 176.529 175.510 0.005 0.000 1.209 269 N CA 0.089 53.166 53.050 0.044 0.000 0.879 269 N CB 0.755 39.264 38.487 0.036 0.000 1.136 269 N HN 0.136 nan 8.380 nan 0.000 0.517 270 V N 1.071 120.992 119.914 0.012 0.000 2.255 270 V HA -0.215 3.906 4.120 0.001 0.000 0.247 270 V C 2.381 178.485 176.094 0.017 0.000 1.051 270 V CA 1.775 64.080 62.300 0.007 0.000 1.018 270 V CB -0.152 31.684 31.823 0.023 0.000 0.641 270 V HN 0.360 nan 8.190 nan 0.000 0.445 271 E N -0.609 119.612 120.200 0.035 0.000 2.031 271 E HA -0.252 4.099 4.350 0.001 0.000 0.193 271 E C 2.165 178.701 176.600 -0.106 0.000 0.994 271 E CA 1.737 58.139 56.400 0.003 0.000 0.800 271 E CB -0.177 29.586 29.700 0.105 0.000 0.752 271 E HN 0.488 nan 8.360 nan 0.000 0.447 272 I N 0.902 121.426 120.570 -0.077 0.000 2.361 272 I HA -0.224 3.946 4.170 0.001 0.000 0.251 272 I C 2.064 178.131 176.117 -0.084 0.000 1.133 272 I CA 1.515 62.740 61.300 -0.125 0.000 1.413 272 I CB -0.309 37.679 38.000 -0.019 0.000 1.073 272 I HN 0.047 nan 8.210 nan 0.000 0.424 273 T N -0.083 114.448 114.554 -0.038 0.000 2.788 273 T HA -0.183 4.168 4.350 0.001 0.000 0.268 273 T C 1.782 176.546 174.700 0.107 0.000 1.044 273 T CA 1.729 63.845 62.100 0.027 0.000 1.139 273 T CB -0.256 68.624 68.868 0.021 0.000 0.867 273 T HN 0.436 nan 8.240 nan 0.000 0.454 274 E N 0.514 120.745 120.200 0.053 0.000 2.106 274 E HA -0.001 4.349 4.350 0.001 0.000 0.192 274 E C 2.141 178.765 176.600 0.040 0.000 0.984 274 E CA 0.657 57.092 56.400 0.060 0.000 0.806 274 E CB -0.220 29.494 29.700 0.023 0.000 0.750 274 E HN 0.404 nan 8.360 nan 0.000 0.458 275 L N 0.041 121.251 121.223 -0.021 0.000 2.017 275 L HA -0.236 4.105 4.340 0.001 0.000 0.208 275 L C 2.530 179.474 176.870 0.123 0.000 1.073 275 L CA 0.770 55.626 54.840 0.028 0.000 0.745 275 L CB -0.427 41.578 42.059 -0.090 0.000 0.894 275 L HN 0.332 nan 8.230 nan 0.000 0.432 276 C N 0.063 119.393 119.300 0.049 0.000 2.413 276 C HA -0.178 4.283 4.460 0.001 0.000 0.276 276 C C 2.736 177.868 174.990 0.237 0.000 1.248 276 C CA 0.661 59.712 59.018 0.056 0.000 1.742 276 C CB -0.730 26.939 27.740 -0.117 0.000 2.017 276 C HN 0.430 nan 8.230 nan 0.000 0.481 277 I N 0.423 121.162 120.570 0.281 0.000 2.315 277 I HA -0.237 3.934 4.170 0.001 0.000 0.248 277 I C 2.806 178.980 176.117 0.095 0.000 1.117 277 I CA 1.534 62.972 61.300 0.231 0.000 1.404 277 I CB -0.659 37.454 38.000 0.188 0.000 1.071 277 I HN 0.469 nan 8.210 nan 0.000 0.419 278 Q N 0.825 120.654 119.800 0.048 0.000 2.167 278 Q HA -0.216 4.125 4.340 0.001 0.000 0.202 278 Q C 1.063 176.952 176.000 -0.184 0.000 0.970 278 Q CA 1.571 57.331 55.803 -0.073 0.000 0.855 278 Q CB -0.047 28.630 28.738 -0.102 0.000 0.911 278 Q HN 0.582 nan 8.270 nan 0.000 0.438 279 H N -0.983 118.057 119.070 -0.049 0.000 2.645 279 H HA 0.271 4.828 4.556 0.001 0.000 0.300 279 H C 0.535 175.825 175.328 -0.063 0.000 1.065 279 H CA 0.643 56.635 56.048 -0.093 0.000 1.173 279 H CB 0.346 30.002 29.762 -0.177 0.000 1.383 279 H HN 0.526 nan 8.280 nan 0.000 0.566 280 G N -0.139 108.690 108.800 0.049 0.000 2.132 280 G HA2 -0.270 3.691 3.960 0.001 0.000 0.228 280 G HA3 -0.270 3.691 3.960 0.001 0.000 0.228 280 G C -0.146 174.819 174.900 0.108 0.000 1.000 280 G CA -0.089 45.033 45.100 0.037 0.000 0.693 280 G HN 0.436 nan 8.290 nan 0.000 0.515 281 W N 2.155 123.427 121.300 -0.047 0.000 2.272 281 W HA 0.638 5.299 4.660 0.001 0.000 0.318 281 W C 0.478 176.984 176.519 -0.022 0.000 1.255 281 W CA -0.038 57.284 57.345 -0.038 0.000 1.200 281 W CB 0.737 30.185 29.460 -0.020 0.000 1.170 281 W HN 0.113 nan 8.180 nan 0.000 0.549 282 T N 9.430 123.715 114.554 -0.449 0.000 2.737 282 T HA 0.206 4.557 4.350 0.001 0.000 0.296 282 T C -2.234 171.643 174.700 -1.373 0.000 0.922 282 T CA -0.845 60.881 62.100 -0.623 0.000 1.079 282 T CB 0.499 69.156 68.868 -0.352 0.000 0.892 282 T HN 0.203 nan 8.240 nan 0.000 0.514 283 P HA 0.361 nan 4.420 nan 0.000 0.288 283 P C 0.533 177.388 177.300 -0.742 0.000 1.267 283 P CA -0.409 61.869 63.100 -1.371 0.000 0.815 283 P CB 1.104 32.431 31.700 -0.621 0.000 0.989 284 G N 2.052 110.587 108.800 -0.442 0.000 2.514 284 G HA2 0.179 4.140 3.960 0.001 0.000 0.245 284 G HA3 0.179 4.140 3.960 0.001 0.000 0.245 284 G C 0.363 175.035 174.900 -0.381 0.000 1.488 284 G CA -0.138 44.856 45.100 -0.177 0.000 1.063 284 G HN 0.693 nan 8.290 nan 0.000 0.557 285 N N -2.375 116.226 118.700 -0.166 0.000 1.958 285 N HA 0.166 4.907 4.740 0.001 0.000 0.223 285 N C 0.480 176.018 175.510 0.045 0.000 1.395 285 N CA 0.455 53.355 53.050 -0.250 0.000 0.737 285 N CB -0.188 38.159 38.487 -0.233 0.000 1.155 285 N HN 0.723 nan 8.380 nan 0.000 0.529 286 G N -0.052 108.850 108.800 0.171 0.000 2.557 286 G HA2 0.304 4.264 3.960 0.001 0.000 0.292 286 G HA3 0.304 4.264 3.960 0.001 0.000 0.292 286 G C 0.307 175.294 174.900 0.145 0.000 1.237 286 G CA -0.645 44.546 45.100 0.153 0.000 0.978 286 G HN 0.095 nan 8.290 nan 0.000 0.498 287 R N -1.060 119.433 120.500 -0.010 0.000 2.297 287 R HA 0.109 4.450 4.340 0.001 0.000 0.197 287 R C -0.196 175.658 176.300 -0.743 0.000 0.943 287 R CA 0.424 56.337 56.100 -0.312 0.000 1.038 287 R CB -0.023 30.058 30.300 -0.366 0.000 0.957 287 R HN 0.420 nan 8.270 nan 0.000 0.484 288 F N 0.133 120.037 119.950 -0.076 0.000 2.605 288 F HA 0.231 4.758 4.527 0.001 0.000 0.391 288 F C -0.688 175.031 175.800 -0.135 0.000 1.429 288 F CA -1.164 56.525 58.000 -0.519 0.000 1.138 288 F CB 0.625 39.199 39.000 -0.711 0.000 1.198 288 F HN -0.305 nan 8.300 nan 0.000 0.516 289 D N 1.842 122.388 120.400 0.244 0.000 2.325 289 D HA 0.197 4.838 4.640 0.001 0.000 0.251 289 D C 0.267 176.825 176.300 0.430 0.000 1.196 289 D CA 0.186 54.409 54.000 0.372 0.000 0.866 289 D CB 2.164 43.244 40.800 0.468 0.000 1.101 289 D HN -0.088 nan 8.370 nan 0.000 0.476 290 V N 3.820 123.962 119.914 0.381 0.000 2.529 290 V HA -0.007 4.114 4.120 0.001 0.000 0.292 290 V C 1.114 177.222 176.094 0.024 0.000 1.028 290 V CA -0.314 62.096 62.300 0.183 0.000 1.074 290 V CB 0.241 32.124 31.823 0.100 0.000 0.958 290 V HN 0.355 nan 8.190 nan 0.000 0.481 291 L N 8.058 129.196 121.223 -0.142 0.000 2.452 291 L HA 0.304 4.645 4.340 0.001 0.000 0.267 291 L C -1.619 175.006 176.870 -0.409 0.000 1.188 291 L CA -1.273 53.336 54.840 -0.384 0.000 0.821 291 L CB 0.928 42.798 42.059 -0.315 0.000 1.102 291 L HN 0.500 nan 8.230 nan 0.000 0.470 292 P HA 0.210 nan 4.420 nan 0.000 0.276 292 P C -1.075 176.053 177.300 -0.287 0.000 1.252 292 P CA -0.497 62.337 63.100 -0.444 0.000 0.802 292 P CB 0.919 32.226 31.700 -0.655 0.000 1.035 293 L N 1.142 122.282 121.223 -0.140 0.000 2.312 293 L HA 0.376 4.717 4.340 0.001 0.000 0.281 293 L C 0.415 177.237 176.870 -0.080 0.000 1.070 293 L CA -0.709 54.098 54.840 -0.055 0.000 0.805 293 L CB 0.460 42.562 42.059 0.072 0.000 1.174 293 L HN 0.215 nan 8.230 nan 0.000 0.434 294 L N 5.087 126.248 121.223 -0.103 0.000 2.294 294 L HA 0.483 4.824 4.340 0.001 0.000 0.283 294 L C -0.661 176.102 176.870 -0.177 0.000 1.015 294 L CA -0.167 54.527 54.840 -0.243 0.000 0.831 294 L CB 1.144 42.964 42.059 -0.398 0.000 1.217 294 L HN 0.439 nan 8.230 nan 0.000 0.420 295 L N 4.031 125.187 121.223 -0.112 0.000 2.329 295 L HA 0.544 4.885 4.340 0.001 0.000 0.279 295 L C -0.382 176.420 176.870 -0.112 0.000 1.014 295 L CA -0.476 54.340 54.840 -0.038 0.000 0.814 295 L CB 1.933 44.026 42.059 0.058 0.000 1.257 295 L HN 0.557 nan 8.230 nan 0.000 0.424 296 Q N 2.686 122.448 119.800 -0.064 0.000 2.327 296 Q HA 0.669 5.010 4.340 0.001 0.000 0.270 296 Q C -1.091 174.850 176.000 -0.098 0.000 1.022 296 Q CA -0.574 55.185 55.803 -0.074 0.000 0.773 296 Q CB 2.075 30.843 28.738 0.050 0.000 1.251 296 Q HN 0.781 nan 8.270 nan 0.000 0.457 297 A N 5.023 127.736 122.820 -0.178 0.000 2.322 297 A HA 0.579 4.900 4.320 0.001 0.000 0.269 297 A C -2.358 174.967 177.584 -0.432 0.000 1.094 297 A CA -1.485 50.296 52.037 -0.427 0.000 0.807 297 A CB 0.013 18.869 19.000 -0.240 0.000 1.047 297 A HN 0.648 nan 8.150 nan 0.000 0.487 298 P HA 0.026 nan 4.420 nan 0.000 0.260 298 P C -0.521 176.671 177.300 -0.180 0.000 1.172 298 P CA 0.859 63.736 63.100 -0.372 0.000 0.760 298 P CB 0.150 31.623 31.700 -0.378 0.000 0.773 299 D N -0.006 120.336 120.400 -0.097 0.000 2.983 299 D HA -0.178 4.463 4.640 0.001 0.000 0.225 299 D C -0.027 176.251 176.300 -0.035 0.000 1.174 299 D CA 1.323 55.298 54.000 -0.041 0.000 0.831 299 D CB -0.593 40.186 40.800 -0.035 0.000 1.104 299 D HN 0.466 nan 8.370 nan 0.000 0.421 300 E N -0.501 119.667 120.200 -0.054 0.000 2.227 300 E HA 0.637 4.988 4.350 0.001 0.000 0.268 300 E C 0.175 176.749 176.600 -0.044 0.000 0.907 300 E CA -0.699 55.671 56.400 -0.050 0.000 0.786 300 E CB 1.689 31.346 29.700 -0.072 0.000 1.191 300 E HN 0.165 nan 8.360 nan 0.000 0.411 301 A N 4.052 126.847 122.820 -0.041 0.000 2.587 301 A HA 0.162 4.483 4.320 0.001 0.000 0.233 301 A C -1.914 175.545 177.584 -0.209 0.000 1.049 301 A CA -0.572 51.422 52.037 -0.072 0.000 0.754 301 A CB -0.658 18.324 19.000 -0.030 0.000 0.977 301 A HN 0.283 nan 8.150 nan 0.000 0.509 302 P HA 0.190 nan 4.420 nan 0.000 0.271 302 P C -0.505 176.477 177.300 -0.529 0.000 1.218 302 P CA 0.125 62.826 63.100 -0.665 0.000 0.780 302 P CB 0.737 31.538 31.700 -1.497 0.000 0.901 303 E N 0.663 120.634 120.200 -0.382 0.000 2.235 303 E HA 0.474 4.824 4.350 0.001 0.000 0.265 303 E C -0.790 175.474 176.600 -0.560 0.000 0.940 303 E CA -1.103 55.045 56.400 -0.421 0.000 0.819 303 E CB 1.565 31.055 29.700 -0.351 0.000 1.206 303 E HN 0.279 nan 8.360 nan 0.000 0.409 304 L N 2.222 123.008 121.223 -0.729 0.000 2.295 304 L HA 0.455 4.796 4.340 0.001 0.000 0.285 304 L C -1.636 174.606 176.870 -1.046 0.000 1.035 304 L CA -0.045 54.412 54.840 -0.637 0.000 0.806 304 L CB 0.305 42.139 42.059 -0.376 0.000 1.214 304 L HN 0.388 nan 8.230 nan 0.000 0.426 305 F N 4.268 123.979 119.950 -0.397 0.000 2.562 305 F HA 0.449 4.977 4.527 0.001 0.000 0.319 305 F C -0.302 175.250 175.800 -0.415 0.000 1.154 305 F CA -0.988 56.640 58.000 -0.621 0.000 0.931 305 F CB 1.695 39.907 39.000 -1.314 0.000 1.198 305 F HN 0.023 nan 8.300 nan 0.000 0.444 306 V N 4.619 124.461 119.914 -0.121 0.000 2.488 306 V HA 0.178 4.299 4.120 0.001 0.000 0.277 306 V C 0.334 176.528 176.094 0.167 0.000 1.046 306 V CA -0.586 61.722 62.300 0.014 0.000 0.986 306 V CB 0.940 32.813 31.823 0.083 0.000 0.989 306 V HN 0.550 nan 8.190 nan 0.000 0.475 307 L N 7.384 128.717 121.223 0.184 0.000 2.410 307 L HA 0.289 4.630 4.340 0.001 0.000 0.273 307 L C -2.073 174.902 176.870 0.175 0.000 1.152 307 L CA -1.484 53.503 54.840 0.245 0.000 0.855 307 L CB 0.556 42.690 42.059 0.124 0.000 1.129 307 L HN 0.461 nan 8.230 nan 0.000 0.463 308 P HA 0.069 nan 4.420 nan 0.000 0.266 308 P C -1.935 175.414 177.300 0.083 0.000 1.215 308 P CA -1.109 62.062 63.100 0.119 0.000 0.763 308 P CB 0.254 32.011 31.700 0.094 0.000 0.806 309 P HA -0.261 nan 4.420 nan 0.000 0.218 309 P C 1.245 178.579 177.300 0.055 0.000 1.152 309 P CA 1.602 64.746 63.100 0.074 0.000 0.857 309 P CB -0.099 31.648 31.700 0.078 0.000 0.787 310 E N 0.053 120.280 120.200 0.046 0.000 2.418 310 E HA -0.110 4.241 4.350 0.001 0.000 0.197 310 E C 1.839 178.453 176.600 0.025 0.000 1.026 310 E CA 0.704 57.124 56.400 0.032 0.000 0.862 310 E CB -0.966 28.749 29.700 0.026 0.000 0.799 310 E HN 0.314 nan 8.360 nan 0.000 0.518 311 L N 0.865 122.103 121.223 0.025 0.000 2.446 311 L HA 0.080 4.421 4.340 0.001 0.000 0.219 311 L C 0.554 177.437 176.870 0.021 0.000 1.116 311 L CA 0.059 54.907 54.840 0.015 0.000 0.844 311 L CB 0.612 42.670 42.059 -0.001 0.000 0.970 311 L HN -0.108 nan 8.230 nan 0.000 0.457 312 V N 1.695 121.625 119.914 0.027 0.000 2.270 312 V HA 0.141 4.262 4.120 0.001 0.000 0.263 312 V C 0.022 176.144 176.094 0.047 0.000 1.066 312 V CA -0.627 61.690 62.300 0.028 0.000 0.857 312 V CB 0.977 32.811 31.823 0.018 0.000 1.099 312 V HN 0.025 nan 8.190 nan 0.000 0.476 313 L N 5.215 126.470 121.223 0.053 0.000 2.418 313 L HA 0.345 4.686 4.340 0.001 0.000 0.274 313 L C 0.283 177.191 176.870 0.063 0.000 1.135 313 L CA 0.930 55.796 54.840 0.043 0.000 0.870 313 L CB 0.146 42.226 42.059 0.035 0.000 1.154 313 L HN 0.645 nan 8.230 nan 0.000 0.462 314 E N 3.179 123.399 120.200 0.034 0.000 2.263 314 E HA 0.601 4.951 4.350 0.001 0.000 0.264 314 E C -1.425 175.136 176.600 -0.065 0.000 0.923 314 E CA -1.006 55.417 56.400 0.039 0.000 0.802 314 E CB 2.461 32.212 29.700 0.087 0.000 1.228 314 E HN 0.358 nan 8.360 nan 0.000 0.417 315 V N 3.169 123.021 119.914 -0.103 0.000 2.409 315 V HA 0.291 4.412 4.120 0.001 0.000 0.290 315 V C -2.456 173.586 176.094 -0.085 0.000 1.017 315 V CA -1.976 60.197 62.300 -0.213 0.000 0.841 315 V CB 1.421 32.859 31.823 -0.641 0.000 1.003 315 V HN 0.527 nan 8.190 nan 0.000 0.426 316 P HA 0.317 nan 4.420 nan 0.000 0.276 316 P C -0.751 176.568 177.300 0.031 0.000 1.230 316 P CA -0.148 62.938 63.100 -0.024 0.000 0.776 316 P CB 0.602 32.292 31.700 -0.017 0.000 0.888 317 L N 3.524 124.804 121.223 0.096 0.000 2.264 317 L HA 0.445 4.785 4.340 0.001 0.000 0.289 317 L C 1.044 178.074 176.870 0.266 0.000 1.044 317 L CA -0.321 54.637 54.840 0.196 0.000 0.807 317 L CB 0.503 42.748 42.059 0.311 0.000 1.192 317 L HN 0.472 nan 8.230 nan 0.000 0.425 318 E N 2.075 122.379 120.200 0.172 0.000 2.359 318 E HA 0.440 4.790 4.350 0.001 0.000 0.266 318 E C -1.184 175.348 176.600 -0.113 0.000 0.920 318 E CA -0.945 55.538 56.400 0.138 0.000 0.788 318 E CB 2.273 32.054 29.700 0.134 0.000 1.279 318 E HN 0.470 nan 8.360 nan 0.000 0.438 319 H N 1.136 119.975 119.070 -0.384 0.000 2.472 319 H HA 0.201 4.758 4.556 0.001 0.000 0.338 319 H C -1.750 173.219 175.328 -0.598 0.000 1.133 319 H CA -2.317 53.364 56.048 -0.610 0.000 1.216 319 H CB 1.968 31.285 29.762 -0.742 0.000 1.497 319 H HN 0.420 nan 8.280 nan 0.000 0.500 320 P HA -0.152 nan 4.420 nan 0.000 0.216 320 P C 1.041 178.095 177.300 -0.410 0.000 1.150 320 P CA 1.945 64.450 63.100 -0.992 0.000 0.843 320 P CB 0.316 31.488 31.700 -0.880 0.000 0.787 321 T N -4.225 110.227 114.554 -0.170 0.000 2.987 321 T HA 0.199 4.550 4.350 0.001 0.000 0.248 321 T C 0.934 175.593 174.700 -0.068 0.000 0.997 321 T CA -0.188 61.886 62.100 -0.044 0.000 1.013 321 T CB -0.609 68.259 68.868 -0.001 0.000 1.077 321 T HN -0.059 nan 8.240 nan 0.000 0.483 322 L N 3.581 124.750 121.223 -0.089 0.000 2.334 322 L HA 0.368 4.709 4.340 0.001 0.000 0.286 322 L C 1.732 178.219 176.870 -0.637 0.000 1.108 322 L CA -0.534 53.948 54.840 -0.596 0.000 0.875 322 L CB 0.672 42.042 42.059 -1.148 0.000 1.246 322 L HN 0.417 nan 8.230 nan 0.000 0.439 323 E N 3.959 123.909 120.200 -0.417 0.000 2.118 323 E HA -0.230 4.120 4.350 0.001 0.000 0.195 323 E C 1.563 178.090 176.600 -0.121 0.000 0.992 323 E CA 1.416 57.702 56.400 -0.189 0.000 0.804 323 E CB -0.162 29.511 29.700 -0.045 0.000 0.741 323 E HN 0.799 nan 8.360 nan 0.000 0.458 324 W N -0.027 121.333 121.300 0.099 0.000 2.825 324 W HA 0.044 4.704 4.660 0.001 0.000 0.243 324 W C 1.199 177.786 176.519 0.114 0.000 1.293 324 W CA -0.320 57.073 57.345 0.081 0.000 1.403 324 W CB -0.667 28.818 29.460 0.041 0.000 1.134 324 W HN -0.009 nan 8.180 nan 0.000 0.666 325 F N 3.002 122.834 119.950 -0.197 0.000 2.113 325 F HA -0.005 4.523 4.527 0.001 0.000 0.297 325 F C 2.717 178.574 175.800 0.096 0.000 1.103 325 F CA 2.501 60.495 58.000 -0.010 0.000 1.248 325 F CB -0.816 38.005 39.000 -0.299 0.000 0.999 325 F HN -0.088 nan 8.300 nan 0.000 0.475 326 A N 0.417 123.444 122.820 0.344 0.000 1.985 326 A HA -0.290 4.031 4.320 0.001 0.000 0.223 326 A C 2.284 179.961 177.584 0.155 0.000 1.189 326 A CA 2.216 54.389 52.037 0.227 0.000 0.658 326 A CB -1.638 17.446 19.000 0.140 0.000 0.820 326 A HN 0.521 nan 8.150 nan 0.000 0.464 327 A N -0.949 121.967 122.820 0.161 0.000 2.206 327 A HA 0.295 4.616 4.320 0.001 0.000 0.211 327 A C 1.842 179.478 177.584 0.088 0.000 1.158 327 A CA 0.730 52.842 52.037 0.125 0.000 0.761 327 A CB -0.476 18.612 19.000 0.146 0.000 0.801 327 A HN 0.488 nan 8.150 nan 0.000 0.473 328 L N -0.922 120.329 121.223 0.047 0.000 2.353 328 L HA -0.045 4.296 4.340 0.001 0.000 0.220 328 L C 1.886 178.779 176.870 0.039 0.000 1.133 328 L CA 0.731 55.560 54.840 -0.019 0.000 0.798 328 L CB -0.603 41.327 42.059 -0.216 0.000 0.922 328 L HN 0.571 nan 8.230 nan 0.000 0.445 329 G N 0.044 108.878 108.800 0.057 0.000 2.179 329 G HA2 -0.276 3.685 3.960 0.001 0.000 0.257 329 G HA3 -0.276 3.685 3.960 0.001 0.000 0.257 329 G C 0.068 174.989 174.900 0.034 0.000 1.010 329 G CA -0.183 44.960 45.100 0.071 0.000 0.736 329 G HN 0.107 nan 8.290 nan 0.000 0.513 330 L N 0.465 121.690 121.223 0.004 0.000 2.439 330 L HA 0.654 4.995 4.340 0.001 0.000 0.269 330 L C 1.096 177.807 176.870 -0.265 0.000 1.179 330 L CA 0.150 54.930 54.840 -0.100 0.000 0.828 330 L CB 0.734 42.812 42.059 0.032 0.000 1.106 330 L HN 0.672 nan 8.230 nan 0.000 0.467 331 R N 2.300 122.409 120.500 -0.652 0.000 2.752 331 R HA 0.560 4.901 4.340 0.001 0.000 0.271 331 R C -1.854 174.399 176.300 -0.079 0.000 1.026 331 R CA -0.915 54.957 56.100 -0.379 0.000 0.901 331 R CB 1.694 31.738 30.300 -0.427 0.000 1.243 331 R HN 0.594 nan 8.270 nan 0.000 0.463 332 W N 1.547 122.792 121.300 -0.092 0.000 3.146 332 W HA 0.337 4.998 4.660 0.002 0.000 0.319 332 W C -1.396 175.196 176.519 0.121 0.000 1.258 332 W CA -0.896 56.481 57.345 0.053 0.000 1.189 332 W CB 2.001 31.420 29.460 -0.069 0.000 1.412 332 W HN 0.691 nan 8.180 nan 0.000 0.567 333 Y N 0.801 121.040 120.300 -0.102 0.000 2.354 333 Y HA 0.633 5.184 4.550 0.001 0.000 0.322 333 Y C 0.709 176.845 175.900 0.393 0.000 1.253 333 Y CA -0.093 58.018 58.100 0.018 0.000 1.272 333 Y CB 0.384 38.709 38.460 -0.225 0.000 1.255 333 Y HN 0.332 nan 8.280 nan 0.000 0.500 334 A N 1.702 124.808 122.820 0.478 0.000 1.975 334 A HA 0.102 4.423 4.320 0.001 0.000 0.215 334 A C 0.394 178.332 177.584 0.590 0.000 1.170 334 A CA 0.414 52.766 52.037 0.526 0.000 0.656 334 A CB -0.235 18.918 19.000 0.254 0.000 0.821 334 A HN 0.646 nan 8.150 nan 0.000 0.449 335 L N 1.940 123.463 121.223 0.501 0.000 2.262 335 L HA 0.451 4.792 4.340 0.001 0.000 0.288 335 L C -2.656 174.361 176.870 0.246 0.000 1.035 335 L CA -2.361 52.658 54.840 0.299 0.000 0.820 335 L CB 1.597 43.767 42.059 0.185 0.000 1.204 335 L HN -0.038 nan 8.230 nan 0.000 0.424 336 P HA 0.376 nan 4.420 nan 0.000 0.295 336 P C -1.482 175.717 177.300 -0.167 0.000 1.354 336 P CA -0.362 62.602 63.100 -0.227 0.000 0.814 336 P CB 1.392 32.569 31.700 -0.873 0.000 0.935 337 A N 4.451 127.180 122.820 -0.152 0.000 2.363 337 A HA 0.452 4.773 4.320 0.001 0.000 0.296 337 A C -0.320 177.025 177.584 -0.398 0.000 1.237 337 A CA -0.678 51.195 52.037 -0.273 0.000 0.773 337 A CB 0.908 19.774 19.000 -0.224 0.000 1.153 337 A HN 0.301 nan 8.150 nan 0.000 0.473 338 V N 2.922 122.399 119.914 -0.727 0.000 2.555 338 V HA 0.336 4.457 4.120 0.001 0.000 0.286 338 V C 1.183 176.857 176.094 -0.701 0.000 1.044 338 V CA 1.066 62.902 62.300 -0.773 0.000 1.026 338 V CB 1.229 32.397 31.823 -1.092 0.000 0.981 338 V HN 1.143 nan 8.190 nan 0.000 0.480 339 S N 1.615 117.109 115.700 -0.343 0.000 2.787 339 S HA 0.045 4.516 4.470 0.001 0.000 0.255 339 S C 0.775 175.329 174.600 -0.077 0.000 1.051 339 S CA 0.092 58.180 58.200 -0.186 0.000 1.124 339 S CB -0.405 62.719 63.200 -0.127 0.000 1.104 339 S HN 0.895 nan 8.310 nan 0.000 0.623 340 N N 0.469 119.110 118.700 -0.099 0.000 2.205 340 N HA 0.287 5.028 4.740 0.001 0.000 0.201 340 N C 0.263 175.708 175.510 -0.109 0.000 1.128 340 N CA -0.490 52.503 53.050 -0.096 0.000 0.867 340 N CB 0.097 38.502 38.487 -0.136 0.000 0.996 340 N HN 0.279 nan 8.380 nan 0.000 0.503 341 M N 1.428 121.021 119.600 -0.012 0.000 2.342 341 M HA 0.306 4.786 4.480 0.001 0.000 0.332 341 M C -0.595 175.815 176.300 0.184 0.000 1.166 341 M CA -0.799 54.557 55.300 0.094 0.000 1.086 341 M CB 2.402 35.149 32.600 0.245 0.000 1.541 341 M HN 0.136 nan 8.290 nan 0.000 0.462 342 L N 3.153 124.484 121.223 0.180 0.000 2.295 342 L HA 0.525 4.866 4.340 0.001 0.000 0.285 342 L C -1.339 175.680 176.870 0.248 0.000 1.035 342 L CA -0.907 54.041 54.840 0.180 0.000 0.806 342 L CB 1.154 43.263 42.059 0.083 0.000 1.214 342 L HN 0.599 nan 8.230 nan 0.000 0.426 343 L N 5.287 126.659 121.223 0.249 0.000 2.264 343 L HA 0.455 4.796 4.340 0.001 0.000 0.289 343 L C -0.504 176.421 176.870 0.092 0.000 1.044 343 L CA 0.274 55.173 54.840 0.098 0.000 0.807 343 L CB 1.136 43.247 42.059 0.087 0.000 1.192 343 L HN 0.651 nan 8.230 nan 0.000 0.425 344 E N 6.749 126.917 120.200 -0.054 0.000 2.145 344 E HA 0.377 4.728 4.350 0.001 0.000 0.270 344 E C -1.604 174.940 176.600 -0.094 0.000 0.906 344 E CA -0.437 55.948 56.400 -0.025 0.000 0.761 344 E CB 1.112 30.790 29.700 -0.037 0.000 1.116 344 E HN 0.728 nan 8.360 nan 0.000 0.408 345 I N 2.809 123.339 120.570 -0.068 0.000 2.439 345 I HA 0.289 4.460 4.170 0.001 0.000 0.285 345 I C 0.817 176.748 176.117 -0.309 0.000 1.021 345 I CA -0.683 60.442 61.300 -0.291 0.000 1.091 345 I CB 1.869 39.630 38.000 -0.397 0.000 1.242 345 I HN 0.803 nan 8.210 nan 0.000 0.439 346 G N 4.205 112.846 108.800 -0.265 0.000 2.283 346 G HA2 -0.127 3.834 3.960 0.001 0.000 0.280 346 G HA3 -0.127 3.834 3.960 0.001 0.000 0.280 346 G C 0.988 175.964 174.900 0.127 0.000 1.029 346 G CA 0.667 45.772 45.100 0.009 0.000 0.840 346 G HN 1.499 nan 8.290 nan 0.000 0.505 347 G N -1.863 106.964 108.800 0.045 0.000 2.299 347 G HA2 -0.224 3.737 3.960 0.001 0.000 0.237 347 G HA3 -0.224 3.737 3.960 0.001 0.000 0.237 347 G C 0.572 175.449 174.900 -0.039 0.000 1.027 347 G CA 0.436 45.562 45.100 0.044 0.000 0.619 347 G HN 1.326 nan 8.290 nan 0.000 0.513 348 L N 1.129 122.284 121.223 -0.113 0.000 2.417 348 L HA 0.583 4.924 4.340 0.001 0.000 0.268 348 L C 0.371 177.056 176.870 -0.308 0.000 1.158 348 L CA -0.232 54.426 54.840 -0.304 0.000 0.819 348 L CB 0.839 42.614 42.059 -0.474 0.000 1.112 348 L HN 0.225 nan 8.230 nan 0.000 0.458 349 E N 2.274 122.194 120.200 -0.466 0.000 2.224 349 E HA 0.385 4.736 4.350 0.001 0.000 0.265 349 E C -1.559 174.762 176.600 -0.466 0.000 0.878 349 E CA -0.455 55.768 56.400 -0.295 0.000 0.759 349 E CB 1.867 31.474 29.700 -0.154 0.000 1.164 349 E HN 0.252 nan 8.360 nan 0.000 0.414 350 F N 1.795 121.725 119.950 -0.032 0.000 2.325 350 F HA 0.109 4.637 4.527 0.001 0.000 0.369 350 F C 1.464 177.300 175.800 0.060 0.000 1.095 350 F CA -0.553 57.451 58.000 0.006 0.000 1.082 350 F CB 1.333 40.323 39.000 -0.017 0.000 1.289 350 F HN 0.427 nan 8.300 nan 0.000 0.462 351 S N 1.326 117.125 115.700 0.164 0.000 2.481 351 S HA 0.277 4.747 4.470 0.001 0.000 0.231 351 S C 0.757 175.467 174.600 0.184 0.000 0.996 351 S CA 0.322 58.605 58.200 0.139 0.000 0.942 351 S CB 0.065 63.327 63.200 0.102 0.000 0.768 351 S HN 0.513 nan 8.310 nan 0.000 0.520 352 A N 0.484 123.464 122.820 0.266 0.000 2.457 352 A HA 0.829 5.150 4.320 0.001 0.000 0.283 352 A C -0.236 177.592 177.584 0.407 0.000 1.166 352 A CA -0.185 52.039 52.037 0.313 0.000 0.740 352 A CB 0.979 20.156 19.000 0.294 0.000 1.181 352 A HN 1.019 nan 8.150 nan 0.000 0.446 353 A N 4.032 127.042 122.820 0.318 0.000 3.399 353 A HA 0.629 4.949 4.320 0.001 0.000 0.262 353 A C -3.135 174.609 177.584 0.266 0.000 1.145 353 A CA -0.844 51.350 52.037 0.261 0.000 0.916 353 A CB 0.391 19.551 19.000 0.267 0.000 1.360 353 A HN 0.488 nan 8.150 nan 0.000 0.628 354 P HA 0.524 nan 4.420 nan 0.000 0.271 354 P C -0.722 176.599 177.300 0.036 0.000 1.216 354 P CA 0.275 63.340 63.100 -0.057 0.000 0.776 354 P CB 0.397 32.007 31.700 -0.149 0.000 0.881 355 F N -0.767 119.124 119.950 -0.099 0.000 2.613 355 F HA 0.799 5.327 4.527 0.001 0.000 0.314 355 F C -0.643 175.089 175.800 -0.114 0.000 1.075 355 F CA -1.124 56.835 58.000 -0.068 0.000 0.945 355 F CB 1.606 40.460 39.000 -0.244 0.000 1.310 355 F HN 0.417 nan 8.300 nan 0.000 0.467 356 S N -0.027 115.759 115.700 0.145 0.000 2.570 356 S HA 0.936 5.407 4.470 0.001 0.000 0.270 356 S C -0.801 173.763 174.600 -0.060 0.000 1.149 356 S CA -0.178 58.032 58.200 0.017 0.000 0.837 356 S CB 1.466 64.737 63.200 0.119 0.000 1.124 356 S HN 1.515 nan 8.310 nan 0.000 0.465 357 G N -0.042 108.672 108.800 -0.142 0.000 3.382 357 G HA2 0.721 4.682 3.960 0.001 0.000 0.183 357 G HA3 0.721 4.682 3.960 0.001 0.000 0.183 357 G C -1.503 173.406 174.900 0.014 0.000 1.246 357 G CA -0.270 44.704 45.100 -0.210 0.000 0.828 357 G HN 1.139 nan 8.290 nan 0.000 0.728 358 W N -1.305 120.005 121.300 0.018 0.000 2.975 358 W HA 0.821 5.482 4.660 0.001 0.000 0.342 358 W C -1.632 174.886 176.519 -0.000 0.000 1.168 358 W CA -2.191 55.178 57.345 0.039 0.000 1.141 358 W CB 0.477 30.006 29.460 0.115 0.000 1.445 358 W HN 0.374 nan 8.180 nan 0.000 0.560 359 Y N 2.671 123.157 120.300 0.311 0.000 2.411 359 Y HA 0.227 4.778 4.550 0.001 0.000 0.333 359 Y C 0.922 176.896 175.900 0.124 0.000 1.186 359 Y CA -0.539 57.629 58.100 0.113 0.000 1.381 359 Y CB 1.079 39.508 38.460 -0.052 0.000 1.273 359 Y HN 0.447 nan 8.280 nan 0.000 0.546 360 M N 2.405 122.168 119.600 0.271 0.000 2.188 360 M HA 0.161 4.642 4.480 0.001 0.000 0.357 360 M C 1.089 177.405 176.300 0.027 0.000 1.204 360 M CA -0.128 55.262 55.300 0.150 0.000 1.095 360 M CB 0.974 33.639 32.600 0.107 0.000 1.604 360 M HN 0.835 nan 8.290 nan 0.000 0.464 361 S N 1.094 116.766 115.700 -0.046 0.000 2.419 361 S HA -0.162 4.309 4.470 0.001 0.000 0.235 361 S C 1.437 175.914 174.600 -0.205 0.000 1.019 361 S CA 1.847 59.938 58.200 -0.181 0.000 0.982 361 S CB -1.226 61.904 63.200 -0.117 0.000 0.789 361 S HN 0.923 nan 8.310 nan 0.000 0.490 362 T N 0.191 114.656 114.554 -0.150 0.000 2.995 362 T HA 0.026 4.377 4.350 0.001 0.000 0.269 362 T C 1.531 176.095 174.700 -0.227 0.000 1.091 362 T CA 1.023 62.989 62.100 -0.223 0.000 1.128 362 T CB -0.475 68.218 68.868 -0.292 0.000 0.891 362 T HN 0.572 nan 8.240 nan 0.000 0.492 363 E N 1.092 121.182 120.200 -0.184 0.000 2.058 363 E HA -0.057 4.294 4.350 0.001 0.000 0.194 363 E C 2.053 178.419 176.600 -0.391 0.000 0.997 363 E CA 1.424 57.718 56.400 -0.176 0.000 0.801 363 E CB -0.327 29.403 29.700 0.051 0.000 0.746 363 E HN 0.577 nan 8.360 nan 0.000 0.450 364 I N 0.397 120.589 120.570 -0.630 0.000 2.270 364 I HA -0.074 4.097 4.170 0.001 0.000 0.239 364 I C 2.634 178.395 176.117 -0.594 0.000 1.080 364 I CA 1.021 61.758 61.300 -0.939 0.000 1.383 364 I CB -0.597 36.708 38.000 -1.159 0.000 1.097 364 I HN 0.111 nan 8.210 nan 0.000 0.420 365 G N 0.175 108.736 108.800 -0.399 0.000 2.422 365 G HA2 -0.177 3.784 3.960 0.001 0.000 0.218 365 G HA3 -0.177 3.784 3.960 0.001 0.000 0.218 365 G C 1.611 176.404 174.900 -0.177 0.000 1.146 365 G CA 1.608 46.570 45.100 -0.229 0.000 0.769 365 G HN 0.314 nan 8.290 nan 0.000 0.547 366 T N -0.068 114.363 114.554 -0.206 0.000 3.031 366 T HA 0.104 4.454 4.350 0.001 0.000 0.236 366 T C 2.523 177.124 174.700 -0.165 0.000 1.005 366 T CA 0.260 62.259 62.100 -0.168 0.000 1.230 366 T CB 0.038 68.790 68.868 -0.193 0.000 0.913 366 T HN 0.001 nan 8.240 nan 0.000 0.419 367 R N 1.947 122.332 120.500 -0.191 0.000 2.061 367 R HA 0.025 4.366 4.340 0.001 0.000 0.230 367 R C 2.026 178.227 176.300 -0.165 0.000 1.140 367 R CA 1.353 57.353 56.100 -0.166 0.000 0.940 367 R CB -1.091 29.116 30.300 -0.156 0.000 0.839 367 R HN 0.383 nan 8.270 nan 0.000 0.429 368 D N 0.727 120.982 120.400 -0.241 0.000 2.117 368 D HA -0.080 4.561 4.640 0.001 0.000 0.197 368 D C 2.072 178.298 176.300 -0.124 0.000 0.987 368 D CA 1.008 54.868 54.000 -0.234 0.000 0.829 368 D CB -0.022 40.346 40.800 -0.720 0.000 0.961 368 D HN 0.166 nan 8.370 nan 0.000 0.460 369 L N -0.623 120.481 121.223 -0.198 0.000 2.408 369 L HA 0.069 4.410 4.340 0.001 0.000 0.215 369 L C 1.978 178.863 176.870 0.025 0.000 1.081 369 L CA 0.273 55.083 54.840 -0.050 0.000 0.840 369 L CB 0.399 42.401 42.059 -0.095 0.000 1.002 369 L HN 0.063 nan 8.230 nan 0.000 0.468 370 C N -1.539 117.743 119.300 -0.030 0.000 2.820 370 C HA 0.142 4.603 4.460 0.001 0.000 0.323 370 C C 0.742 175.723 174.990 -0.015 0.000 1.279 370 C CA -0.790 58.224 59.018 -0.007 0.000 1.790 370 C CB -0.100 27.623 27.740 -0.029 0.000 2.328 370 C HN 0.318 nan 8.230 nan 0.000 0.579 371 D N 2.440 122.803 120.400 -0.062 0.000 2.571 371 D HA 0.010 4.651 4.640 0.001 0.000 0.231 371 D C -1.482 174.796 176.300 -0.037 0.000 1.133 371 D CA -0.650 53.299 54.000 -0.084 0.000 0.862 371 D CB 0.435 41.060 40.800 -0.293 0.000 1.179 371 D HN 0.217 nan 8.370 nan 0.000 0.474 372 P HA -0.100 nan 4.420 nan 0.000 0.223 372 P C 0.701 178.087 177.300 0.143 0.000 1.151 372 P CA 1.061 64.234 63.100 0.121 0.000 0.787 372 P CB 0.002 31.786 31.700 0.140 0.000 0.788 373 H N -2.318 116.768 119.070 0.027 0.000 2.517 373 H HA 0.341 4.898 4.556 0.001 0.000 0.282 373 H C 0.848 176.194 175.328 0.031 0.000 1.023 373 H CA -0.129 55.933 56.048 0.025 0.000 1.169 373 H CB -0.050 29.726 29.762 0.024 0.000 1.454 373 H HN -0.033 nan 8.280 nan 0.000 0.556 374 R N -0.111 120.278 120.500 -0.185 0.000 3.006 374 R HA 0.176 4.516 4.340 0.001 0.000 0.150 374 R C 1.073 177.363 176.300 -0.017 0.000 1.285 374 R CA -0.686 55.359 56.100 -0.090 0.000 0.813 374 R CB -0.813 29.445 30.300 -0.069 0.000 1.582 374 R HN 0.104 nan 8.270 nan 0.000 0.441 375 Y N 1.665 121.978 120.300 0.023 0.000 2.439 375 Y HA -0.005 4.546 4.550 0.001 0.000 0.292 375 Y C 0.772 176.693 175.900 0.034 0.000 1.130 375 Y CA 1.100 59.229 58.100 0.048 0.000 1.254 375 Y CB -0.171 38.359 38.460 0.117 0.000 1.000 375 Y HN 0.546 nan 8.280 nan 0.000 0.554 376 N N 1.107 119.896 118.700 0.148 0.000 2.705 376 N HA -0.225 4.516 4.740 0.001 0.000 0.255 376 N C 0.469 176.051 175.510 0.119 0.000 1.008 376 N CA 0.449 53.560 53.050 0.101 0.000 0.742 376 N CB -1.037 37.494 38.487 0.074 0.000 0.906 376 N HN 0.635 nan 8.380 nan 0.000 0.541 377 I N -3.327 117.322 120.570 0.131 0.000 3.793 377 I HA -0.011 4.160 4.170 0.001 0.000 0.315 377 I C 1.924 178.114 176.117 0.121 0.000 1.275 377 I CA -0.399 60.971 61.300 0.116 0.000 1.214 377 I CB -0.072 37.991 38.000 0.105 0.000 1.018 377 I HN 0.093 nan 8.210 nan 0.000 0.439 378 L N 1.733 123.046 121.223 0.151 0.000 1.997 378 L HA -0.238 4.103 4.340 0.001 0.000 0.216 378 L C 2.593 179.653 176.870 0.316 0.000 1.074 378 L CA 1.996 56.967 54.840 0.219 0.000 0.763 378 L CB -1.007 41.172 42.059 0.199 0.000 0.890 378 L HN 0.427 nan 8.230 nan 0.000 0.434 379 E N -1.099 119.279 120.200 0.297 0.000 2.106 379 E HA -0.213 4.138 4.350 0.001 0.000 0.192 379 E C 1.716 178.311 176.600 -0.009 0.000 0.984 379 E CA 1.117 57.599 56.400 0.137 0.000 0.806 379 E CB 0.097 29.827 29.700 0.050 0.000 0.750 379 E HN 0.528 nan 8.360 nan 0.000 0.458 380 D N -0.055 120.353 120.400 0.013 0.000 2.097 380 D HA -0.144 4.497 4.640 0.001 0.000 0.195 380 D C 2.064 178.318 176.300 -0.077 0.000 0.989 380 D CA 0.952 54.924 54.000 -0.047 0.000 0.827 380 D CB -0.210 40.575 40.800 -0.025 0.000 0.966 380 D HN 0.084 nan 8.370 nan 0.000 0.456 381 V N 1.558 121.475 119.914 0.005 0.000 2.343 381 V HA -0.225 3.895 4.120 0.001 0.000 0.247 381 V C 2.556 178.674 176.094 0.040 0.000 1.051 381 V CA 1.776 64.109 62.300 0.054 0.000 1.036 381 V CB -0.853 31.085 31.823 0.192 0.000 0.654 381 V HN 0.171 nan 8.190 nan 0.000 0.451 382 A N -0.283 122.587 122.820 0.083 0.000 1.933 382 A HA -0.137 4.184 4.320 0.001 0.000 0.218 382 A C 2.395 179.922 177.584 -0.094 0.000 1.175 382 A CA 1.954 54.039 52.037 0.081 0.000 0.628 382 A CB -0.609 18.513 19.000 0.203 0.000 0.814 382 A HN 0.338 nan 8.150 nan 0.000 0.444 383 V N -0.745 119.060 119.914 -0.182 0.000 2.358 383 V HA -0.295 3.826 4.120 0.001 0.000 0.246 383 V C 2.627 178.538 176.094 -0.305 0.000 1.047 383 V CA 1.954 64.113 62.300 -0.235 0.000 1.035 383 V CB -0.982 30.705 31.823 -0.226 0.000 0.658 383 V HN 0.724 nan 8.190 nan 0.000 0.452 384 C N -0.296 118.740 119.300 -0.440 0.000 2.413 384 C HA -0.193 4.268 4.460 0.001 0.000 0.277 384 C C 2.660 177.193 174.990 -0.762 0.000 1.265 384 C CA 1.061 59.551 59.018 -0.879 0.000 1.752 384 C CB -1.072 25.721 27.740 -1.578 0.000 1.998 384 C HN 0.520 nan 8.230 nan 0.000 0.489 385 M N 0.127 119.528 119.600 -0.331 0.000 2.659 385 M HA 0.002 4.483 4.480 0.001 0.000 0.243 385 M C 0.579 176.859 176.300 -0.032 0.000 1.111 385 M CA 1.015 56.314 55.300 -0.002 0.000 1.070 385 M CB -0.454 32.233 32.600 0.145 0.000 1.525 385 M HN 0.294 nan 8.290 nan 0.000 0.517 386 D N 1.038 121.363 120.400 -0.124 0.000 2.746 386 D HA -0.146 4.495 4.640 0.001 0.000 0.236 386 D C -0.890 175.376 176.300 -0.057 0.000 1.129 386 D CA 0.443 54.385 54.000 -0.097 0.000 0.691 386 D CB -0.949 39.811 40.800 -0.067 0.000 1.077 386 D HN 0.297 nan 8.370 nan 0.000 0.432 387 L N -0.145 121.043 121.223 -0.058 0.000 2.416 387 L HA 0.380 4.721 4.340 0.001 0.000 0.262 387 L C 0.920 177.736 176.870 -0.089 0.000 1.093 387 L CA -0.824 54.005 54.840 -0.018 0.000 0.801 387 L CB 0.674 42.776 42.059 0.071 0.000 1.191 387 L HN 0.016 nan 8.230 nan 0.000 0.459 388 D N 0.332 120.706 120.400 -0.043 0.000 2.359 388 D HA 0.026 4.667 4.640 0.001 0.000 0.250 388 D C 0.700 176.867 176.300 -0.220 0.000 1.264 388 D CA 0.140 54.088 54.000 -0.088 0.000 0.911 388 D CB 1.134 41.929 40.800 -0.009 0.000 1.056 388 D HN 0.420 nan 8.370 nan 0.000 0.499 389 T N 3.556 117.837 114.554 -0.455 0.000 3.118 389 T HA 0.004 4.354 4.350 0.001 0.000 0.260 389 T C 1.664 176.103 174.700 -0.435 0.000 1.139 389 T CA 0.467 62.008 62.100 -0.933 0.000 1.085 389 T CB 0.154 68.493 68.868 -0.882 0.000 0.934 389 T HN 0.383 nan 8.240 nan 0.000 0.518 390 R N 0.576 120.973 120.500 -0.170 0.000 2.275 390 R HA 0.123 4.464 4.340 0.001 0.000 0.199 390 R C 0.850 177.187 176.300 0.061 0.000 0.989 390 R CA 0.476 56.548 56.100 -0.046 0.000 1.016 390 R CB 0.227 30.501 30.300 -0.045 0.000 0.918 390 R HN 0.126 nan 8.270 nan 0.000 0.473 391 T N -0.844 113.795 114.554 0.142 0.000 2.933 391 T HA 0.106 4.457 4.350 0.001 0.000 0.305 391 T C 1.035 175.913 174.700 0.297 0.000 1.092 391 T CA -0.599 61.608 62.100 0.178 0.000 1.008 391 T CB 1.906 70.838 68.868 0.106 0.000 1.102 391 T HN 0.169 nan 8.240 nan 0.000 0.469 392 T N 0.696 115.369 114.554 0.198 0.000 2.915 392 T HA -0.069 4.281 4.350 0.001 0.000 0.269 392 T C 2.100 176.830 174.700 0.050 0.000 1.071 392 T CA 1.570 63.729 62.100 0.097 0.000 1.132 392 T CB -0.564 68.316 68.868 0.020 0.000 0.878 392 T HN 0.693 nan 8.240 nan 0.000 0.479 393 S N 2.042 117.786 115.700 0.074 0.000 2.515 393 S HA -0.055 4.416 4.470 0.001 0.000 0.231 393 S C 2.166 176.806 174.600 0.066 0.000 0.987 393 S CA 0.813 59.043 58.200 0.050 0.000 0.936 393 S CB -0.793 62.431 63.200 0.041 0.000 0.766 393 S HN 0.727 nan 8.310 nan 0.000 0.528 394 S N 1.680 117.453 115.700 0.122 0.000 2.515 394 S HA 0.165 4.636 4.470 0.001 0.000 0.231 394 S C 1.050 175.725 174.600 0.125 0.000 0.987 394 S CA 0.443 58.725 58.200 0.137 0.000 0.936 394 S CB -0.974 62.337 63.200 0.186 0.000 0.766 394 S HN 0.663 nan 8.310 nan 0.000 0.528 395 L N 0.404 121.664 121.223 0.062 0.000 4.040 395 L HA -0.173 4.168 4.340 0.001 0.000 0.410 395 L C 1.622 178.485 176.870 -0.010 0.000 1.187 395 L CA 0.757 55.575 54.840 -0.036 0.000 0.956 395 L CB -2.559 39.495 42.059 -0.009 0.000 2.022 395 L HN 0.771 nan 8.230 nan 0.000 0.897 396 W N 0.258 121.566 121.300 0.014 0.000 2.342 396 W HA -0.196 4.465 4.660 0.001 0.000 0.297 396 W C 1.680 178.212 176.519 0.021 0.000 1.213 396 W CA 1.443 58.798 57.345 0.017 0.000 1.251 396 W CB -0.729 28.737 29.460 0.009 0.000 1.136 396 W HN 0.293 nan 8.180 nan 0.000 0.526 397 K N 0.977 120.982 120.400 -0.660 0.000 2.057 397 K HA -0.151 4.170 4.320 0.001 0.000 0.206 397 K C 1.520 177.994 176.600 -0.210 0.000 1.050 397 K CA 2.289 58.216 56.287 -0.599 0.000 0.935 397 K CB -0.336 31.637 32.500 -0.879 0.000 0.715 397 K HN 0.075 nan 8.250 nan 0.000 0.439 398 D N 0.681 120.978 120.400 -0.173 0.000 2.117 398 D HA -0.098 4.543 4.640 0.001 0.000 0.198 398 D C 1.667 177.963 176.300 -0.005 0.000 0.982 398 D CA 1.071 55.024 54.000 -0.079 0.000 0.828 398 D CB 0.051 40.809 40.800 -0.069 0.000 0.967 398 D HN 0.097 nan 8.370 nan 0.000 0.464 399 K N 0.591 121.010 120.400 0.033 0.000 2.002 399 K HA -0.041 4.280 4.320 0.001 0.000 0.209 399 K C 2.221 178.884 176.600 0.105 0.000 1.048 399 K CA 1.230 57.565 56.287 0.079 0.000 0.930 399 K CB -0.198 32.368 32.500 0.109 0.000 0.714 399 K HN 0.088 nan 8.250 nan 0.000 0.438 400 A N 1.473 124.377 122.820 0.139 0.000 1.933 400 A HA -0.097 4.223 4.320 0.001 0.000 0.218 400 A C 2.365 180.035 177.584 0.142 0.000 1.175 400 A CA 1.774 53.919 52.037 0.180 0.000 0.628 400 A CB -0.666 18.479 19.000 0.241 0.000 0.814 400 A HN 0.346 nan 8.150 nan 0.000 0.444 401 A N -0.603 122.264 122.820 0.077 0.000 1.908 401 A HA -0.026 4.295 4.320 0.001 0.000 0.218 401 A C 2.243 179.855 177.584 0.048 0.000 1.181 401 A CA 1.845 53.906 52.037 0.041 0.000 0.627 401 A CB -0.886 18.102 19.000 -0.021 0.000 0.818 401 A HN 0.370 nan 8.150 nan 0.000 0.445 402 V N 0.226 120.174 119.914 0.056 0.000 2.307 402 V HA -0.188 3.933 4.120 0.001 0.000 0.245 402 V C 2.572 178.721 176.094 0.091 0.000 1.045 402 V CA 2.093 64.432 62.300 0.066 0.000 1.024 402 V CB -0.665 31.200 31.823 0.069 0.000 0.651 402 V HN 0.517 nan 8.190 nan 0.000 0.449 403 E N 0.021 120.292 120.200 0.118 0.000 2.118 403 E HA -0.196 4.155 4.350 0.001 0.000 0.195 403 E C 2.088 178.772 176.600 0.140 0.000 0.992 403 E CA 1.411 57.898 56.400 0.146 0.000 0.804 403 E CB -0.380 29.365 29.700 0.076 0.000 0.741 403 E HN 0.585 nan 8.360 nan 0.000 0.458 404 I N 1.145 121.823 120.570 0.180 0.000 2.226 404 I HA -0.288 3.883 4.170 0.001 0.000 0.245 404 I C 1.856 178.010 176.117 0.063 0.000 1.100 404 I CA 1.118 62.546 61.300 0.212 0.000 1.374 404 I CB -0.299 37.838 38.000 0.228 0.000 1.057 404 I HN 0.059 nan 8.210 nan 0.000 0.413 405 N N 0.549 119.265 118.700 0.027 0.000 2.120 405 N HA -0.194 4.547 4.740 0.001 0.000 0.188 405 N C 1.707 177.207 175.510 -0.017 0.000 1.024 405 N CA 0.966 54.007 53.050 -0.017 0.000 0.852 405 N CB -0.191 38.292 38.487 -0.006 0.000 1.003 405 N HN 0.151 nan 8.380 nan 0.000 0.424 406 L N 0.672 121.894 121.223 -0.002 0.000 2.046 406 L HA -0.023 4.318 4.340 0.001 0.000 0.208 406 L C 2.005 178.791 176.870 -0.141 0.000 1.077 406 L CA 1.373 56.180 54.840 -0.055 0.000 0.747 406 L CB -0.739 41.290 42.059 -0.050 0.000 0.896 406 L HN 0.159 nan 8.230 nan 0.000 0.432 407 A N -1.310 121.399 122.820 -0.185 0.000 1.940 407 A HA -0.159 4.162 4.320 0.001 0.000 0.219 407 A C 2.261 179.790 177.584 -0.092 0.000 1.176 407 A CA 1.978 53.824 52.037 -0.318 0.000 0.631 407 A CB -1.032 17.487 19.000 -0.802 0.000 0.814 407 A HN 0.302 nan 8.150 nan 0.000 0.446 408 V N -0.234 119.653 119.914 -0.045 0.000 2.358 408 V HA -0.228 3.892 4.120 0.001 0.000 0.246 408 V C 2.550 178.662 176.094 0.031 0.000 1.047 408 V CA 1.896 64.196 62.300 -0.000 0.000 1.035 408 V CB -0.676 31.064 31.823 -0.139 0.000 0.658 408 V HN 0.560 nan 8.190 nan 0.000 0.452 409 L N -0.634 120.582 121.223 -0.012 0.000 2.027 409 L HA -0.189 4.152 4.340 0.001 0.000 0.206 409 L C 2.609 179.515 176.870 0.059 0.000 1.074 409 L CA 2.097 56.943 54.840 0.010 0.000 0.745 409 L CB -0.782 41.276 42.059 -0.001 0.000 0.898 409 L HN 0.459 nan 8.230 nan 0.000 0.433 410 H N -0.325 118.707 119.070 -0.064 0.000 2.319 410 H HA -0.178 4.379 4.556 0.001 0.000 0.297 410 H C 2.324 177.637 175.328 -0.025 0.000 1.097 410 H CA 2.154 58.151 56.048 -0.084 0.000 1.285 410 H CB -0.010 29.634 29.762 -0.198 0.000 1.368 410 H HN 0.176 nan 8.280 nan 0.000 0.495 411 S N -0.361 115.319 115.700 -0.033 0.000 2.368 411 S HA -0.117 4.354 4.470 0.001 0.000 0.225 411 S C 1.925 176.513 174.600 -0.021 0.000 1.030 411 S CA 1.228 59.396 58.200 -0.053 0.000 0.999 411 S CB -0.459 62.794 63.200 0.088 0.000 0.844 411 S HN 0.326 nan 8.310 nan 0.000 0.459 412 F N 1.912 121.810 119.950 -0.088 0.000 2.171 412 F HA -0.080 4.447 4.527 0.002 0.000 0.300 412 F C 2.650 178.398 175.800 -0.087 0.000 1.090 412 F CA 1.021 58.989 58.000 -0.053 0.000 1.293 412 F CB -0.648 38.348 39.000 -0.007 0.000 1.013 412 F HN 0.193 nan 8.300 nan 0.000 0.486 413 Q N -0.604 119.225 119.800 0.049 0.000 2.119 413 Q HA -0.190 4.151 4.340 0.001 0.000 0.201 413 Q C 2.175 178.104 176.000 -0.119 0.000 0.972 413 Q CA 1.206 56.984 55.803 -0.041 0.000 0.847 413 Q CB -0.352 28.355 28.738 -0.052 0.000 0.903 413 Q HN 0.342 nan 8.270 nan 0.000 0.433 414 L N -0.255 120.837 121.223 -0.218 0.000 2.156 414 L HA -0.019 4.322 4.340 0.001 0.000 0.208 414 L C 1.823 178.600 176.870 -0.154 0.000 1.095 414 L CA 1.513 56.213 54.840 -0.233 0.000 0.770 414 L CB -0.250 41.587 42.059 -0.371 0.000 0.914 414 L HN 0.102 nan 8.230 nan 0.000 0.439 415 A N -1.436 121.291 122.820 -0.154 0.000 2.251 415 A HA 0.058 4.379 4.320 0.001 0.000 0.209 415 A C 1.022 178.538 177.584 -0.114 0.000 1.187 415 A CA 0.196 52.146 52.037 -0.145 0.000 0.823 415 A CB -0.345 18.528 19.000 -0.210 0.000 0.846 415 A HN 0.419 nan 8.150 nan 0.000 0.486 416 K N -1.145 119.201 120.400 -0.090 0.000 3.125 416 K HA -0.114 4.207 4.320 0.001 0.000 0.268 416 K C -0.746 175.824 176.600 -0.051 0.000 1.078 416 K CA 0.618 56.867 56.287 -0.063 0.000 0.775 416 K CB -2.122 30.341 32.500 -0.061 0.000 1.253 416 K HN 0.245 nan 8.250 nan 0.000 0.486 417 V N 1.054 120.947 119.914 -0.034 0.000 2.435 417 V HA 0.183 4.304 4.120 0.001 0.000 0.290 417 V C 0.813 176.997 176.094 0.150 0.000 1.030 417 V CA -0.727 61.590 62.300 0.027 0.000 0.881 417 V CB 1.940 33.709 31.823 -0.090 0.000 0.983 417 V HN 0.251 nan 8.190 nan 0.000 0.445 418 T N 6.427 121.030 114.554 0.081 0.000 2.871 418 T HA 0.357 4.708 4.350 0.001 0.000 0.296 418 T C -0.243 174.529 174.700 0.120 0.000 0.998 418 T CA 0.896 62.966 62.100 -0.050 0.000 1.162 418 T CB -0.042 68.650 68.868 -0.294 0.000 0.947 418 T HN 0.537 nan 8.240 nan 0.000 0.536 419 I N 2.641 123.228 120.570 0.029 0.000 3.006 419 I HA 0.694 4.865 4.170 0.001 0.000 0.306 419 I C -1.413 174.737 176.117 0.055 0.000 1.250 419 I CA -1.081 60.267 61.300 0.081 0.000 0.996 419 I CB 2.128 40.105 38.000 -0.039 0.000 1.261 419 I HN 0.413 nan 8.210 nan 0.000 0.442 420 V N 4.587 124.601 119.914 0.167 0.000 2.638 420 V HA 0.463 4.584 4.120 0.001 0.000 0.306 420 V C -1.158 174.999 176.094 0.105 0.000 1.052 420 V CA -0.337 62.058 62.300 0.158 0.000 0.885 420 V CB 2.107 34.118 31.823 0.313 0.000 0.999 420 V HN 0.880 nan 8.190 nan 0.000 0.424 421 D N 4.064 124.501 120.400 0.062 0.000 2.377 421 D HA 0.185 4.826 4.640 0.001 0.000 0.245 421 D C 1.222 177.528 176.300 0.010 0.000 1.196 421 D CA 0.244 54.265 54.000 0.035 0.000 0.962 421 D CB 0.440 41.229 40.800 -0.018 0.000 1.127 421 D HN 0.721 nan 8.370 nan 0.000 0.471 422 H N -0.601 118.395 119.070 -0.123 0.000 2.495 422 H HA -0.092 4.465 4.556 0.001 0.000 0.287 422 H C 1.061 176.269 175.328 -0.200 0.000 1.033 422 H CA 1.155 57.093 56.048 -0.183 0.000 1.307 422 H CB -0.582 29.019 29.762 -0.268 0.000 1.401 422 H HN 0.500 nan 8.280 nan 0.000 0.555 423 H N 1.433 120.300 119.070 -0.338 0.000 2.299 423 H HA 0.088 4.645 4.556 0.001 0.000 0.302 423 H C 2.551 177.862 175.328 -0.030 0.000 1.078 423 H CA 1.367 57.320 56.048 -0.158 0.000 1.323 423 H CB -0.454 29.187 29.762 -0.202 0.000 1.381 423 H HN 0.481 nan 8.280 nan 0.000 0.498 424 A N 1.703 124.575 122.820 0.086 0.000 1.865 424 A HA -0.164 4.157 4.320 0.001 0.000 0.217 424 A C 2.755 180.412 177.584 0.123 0.000 1.191 424 A CA 2.218 54.313 52.037 0.096 0.000 0.623 424 A CB -1.071 17.979 19.000 0.083 0.000 0.826 424 A HN 0.456 nan 8.150 nan 0.000 0.444 425 A N -0.338 122.557 122.820 0.124 0.000 1.873 425 A HA -0.190 4.131 4.320 0.001 0.000 0.218 425 A C 2.495 180.183 177.584 0.173 0.000 1.193 425 A CA 3.095 55.225 52.037 0.156 0.000 0.629 425 A CB -1.614 17.469 19.000 0.137 0.000 0.826 425 A HN 0.873 nan 8.150 nan 0.000 0.447 426 T N -2.743 111.896 114.554 0.141 0.000 2.821 426 T HA -0.082 4.269 4.350 0.001 0.000 0.267 426 T C 1.694 176.526 174.700 0.219 0.000 1.046 426 T CA 1.384 63.592 62.100 0.180 0.000 1.139 426 T CB -0.814 68.128 68.868 0.124 0.000 0.871 426 T HN 0.069 nan 8.240 nan 0.000 0.454 427 V N 2.780 122.796 119.914 0.171 0.000 2.287 427 V HA -0.188 3.933 4.120 0.001 0.000 0.248 427 V C 3.225 179.409 176.094 0.151 0.000 1.053 427 V CA 2.238 64.627 62.300 0.148 0.000 1.027 427 V CB -1.007 30.886 31.823 0.116 0.000 0.646 427 V HN 0.813 nan 8.190 nan 0.000 0.447 428 S N -0.566 115.234 115.700 0.166 0.000 2.423 428 S HA -0.192 4.279 4.470 0.001 0.000 0.231 428 S C 1.957 176.675 174.600 0.197 0.000 1.014 428 S CA 1.351 59.649 58.200 0.162 0.000 0.965 428 S CB -0.666 62.633 63.200 0.164 0.000 0.785 428 S HN 0.505 nan 8.310 nan 0.000 0.495 429 F N 2.231 122.249 119.950 0.112 0.000 2.186 429 F HA 0.060 4.588 4.527 0.001 0.000 0.299 429 F C 2.272 178.165 175.800 0.155 0.000 1.090 429 F CA 1.324 59.405 58.000 0.135 0.000 1.307 429 F CB -0.328 38.731 39.000 0.100 0.000 1.019 429 F HN 0.120 nan 8.300 nan 0.000 0.489 430 M N 0.149 119.822 119.600 0.122 0.000 2.108 430 M HA -0.205 4.276 4.480 0.001 0.000 0.261 430 M C 2.217 178.497 176.300 -0.034 0.000 1.066 430 M CA 1.605 56.927 55.300 0.037 0.000 1.107 430 M CB -1.306 31.361 32.600 0.111 0.000 1.356 430 M HN 0.070 nan 8.290 nan 0.000 0.406 431 K N -0.214 120.195 120.400 0.014 0.000 2.057 431 K HA -0.212 4.109 4.320 0.001 0.000 0.207 431 K C 1.979 178.563 176.600 -0.028 0.000 1.049 431 K CA 1.875 58.166 56.287 0.008 0.000 0.931 431 K CB -0.757 31.771 32.500 0.046 0.000 0.714 431 K HN 0.396 nan 8.250 nan 0.000 0.440 432 H N 0.125 119.104 119.070 -0.151 0.000 2.352 432 H HA -0.044 4.513 4.556 0.001 0.000 0.299 432 H C 1.724 176.882 175.328 -0.282 0.000 1.097 432 H CA 2.262 58.185 56.048 -0.208 0.000 1.311 432 H CB -0.204 29.399 29.762 -0.266 0.000 1.377 432 H HN 0.183 nan 8.280 nan 0.000 0.504 433 L N -0.311 120.611 121.223 -0.500 0.000 2.042 433 L HA -0.177 4.164 4.340 0.001 0.000 0.210 433 L C 2.278 178.994 176.870 -0.257 0.000 1.076 433 L CA 1.906 56.492 54.840 -0.423 0.000 0.749 433 L CB -0.488 41.398 42.059 -0.290 0.000 0.893 433 L HN 0.403 nan 8.230 nan 0.000 0.432 434 D N -0.145 120.150 120.400 -0.174 0.000 2.117 434 D HA -0.172 4.469 4.640 0.001 0.000 0.198 434 D C 1.913 178.148 176.300 -0.109 0.000 0.982 434 D CA 1.013 54.949 54.000 -0.107 0.000 0.828 434 D CB 0.118 40.882 40.800 -0.061 0.000 0.967 434 D HN 0.148 nan 8.370 nan 0.000 0.464 435 N N 0.593 119.219 118.700 -0.124 0.000 2.104 435 N HA -0.138 4.603 4.740 0.001 0.000 0.190 435 N C 1.530 176.967 175.510 -0.121 0.000 1.024 435 N CA 0.876 53.874 53.050 -0.087 0.000 0.853 435 N CB -0.242 38.226 38.487 -0.030 0.000 1.008 435 N HN 0.370 nan 8.380 nan 0.000 0.424 436 E N 0.484 120.531 120.200 -0.254 0.000 2.216 436 E HA -0.114 4.237 4.350 0.001 0.000 0.192 436 E C 1.837 178.357 176.600 -0.132 0.000 0.988 436 E CA 0.388 56.647 56.400 -0.234 0.000 0.834 436 E CB -0.033 29.429 29.700 -0.397 0.000 0.772 436 E HN 0.317 nan 8.360 nan 0.000 0.479 437 Q N 1.668 121.396 119.800 -0.119 0.000 2.020 437 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 437 Q C 1.812 177.784 176.000 -0.046 0.000 0.982 437 Q CA 1.764 57.527 55.803 -0.066 0.000 0.838 437 Q CB 0.015 28.716 28.738 -0.061 0.000 0.899 437 Q HN 0.105 nan 8.270 nan 0.000 0.423 438 K N -0.679 119.693 120.400 -0.046 0.000 2.057 438 K HA -0.014 4.306 4.320 0.001 0.000 0.206 438 K C 2.022 178.608 176.600 -0.022 0.000 1.050 438 K CA 1.150 57.419 56.287 -0.030 0.000 0.935 438 K CB -0.234 32.251 32.500 -0.025 0.000 0.715 438 K HN 0.247 nan 8.250 nan 0.000 0.439 439 A N 0.890 123.698 122.820 -0.021 0.000 1.929 439 A HA -0.049 4.272 4.320 0.001 0.000 0.216 439 A C 1.869 179.449 177.584 -0.007 0.000 1.176 439 A CA 1.209 53.246 52.037 0.000 0.000 0.628 439 A CB 0.019 19.037 19.000 0.030 0.000 0.816 439 A HN 0.137 nan 8.150 nan 0.000 0.444 440 R N -3.100 117.385 120.500 -0.025 0.000 2.544 440 R HA 0.218 4.559 4.340 0.001 0.000 0.303 440 R C 0.858 177.151 176.300 -0.012 0.000 0.939 440 R CA 0.625 56.713 56.100 -0.020 0.000 1.102 440 R CB 0.789 31.067 30.300 -0.037 0.000 1.440 440 R HN 0.713 nan 8.270 nan 0.000 0.532 441 G N 0.892 109.681 108.800 -0.019 0.000 2.147 441 G HA2 -0.207 3.754 3.960 0.001 0.000 0.244 441 G HA3 -0.207 3.754 3.960 0.001 0.000 0.244 441 G C 0.151 175.064 174.900 0.021 0.000 1.005 441 G CA 0.237 45.330 45.100 -0.011 0.000 0.713 441 G HN 0.699 nan 8.290 nan 0.000 0.515 442 G N -2.453 106.361 108.800 0.024 0.000 2.321 442 G HA2 0.558 4.518 3.960 0.001 0.000 0.298 442 G HA3 0.558 4.518 3.960 0.001 0.000 0.298 442 G C -0.923 174.004 174.900 0.045 0.000 1.385 442 G CA 0.293 45.439 45.100 0.077 0.000 0.856 442 G HN 1.858 nan 8.290 nan 0.000 0.584 443 C N 2.107 121.450 119.300 0.073 0.000 2.705 443 C HA 0.766 5.227 4.460 0.001 0.000 0.369 443 C C -2.524 172.457 174.990 -0.014 0.000 1.069 443 C CA -1.346 57.669 59.018 -0.005 0.000 1.260 443 C CB 1.278 28.952 27.740 -0.109 0.000 1.764 443 C HN 0.690 nan 8.230 nan 0.000 0.469 444 P HA 0.442 nan 4.420 nan 0.000 0.271 444 P C -0.689 176.498 177.300 -0.189 0.000 1.220 444 P CA 0.512 63.227 63.100 -0.641 0.000 0.768 444 P CB 1.161 32.244 31.700 -1.028 0.000 0.848 445 A N 2.238 125.005 122.820 -0.089 0.000 2.566 445 A HA 0.430 4.751 4.320 0.001 0.000 0.297 445 A C -1.386 176.244 177.584 0.075 0.000 1.059 445 A CA -0.535 51.547 52.037 0.076 0.000 0.691 445 A CB 1.325 20.486 19.000 0.267 0.000 1.282 445 A HN 0.443 nan 8.150 nan 0.000 0.401 446 D N 1.709 122.149 120.400 0.066 0.000 2.473 446 D HA 0.178 4.818 4.640 0.001 0.000 0.226 446 D C 0.772 177.195 176.300 0.204 0.000 1.089 446 D CA -0.496 53.573 54.000 0.115 0.000 0.883 446 D CB 0.427 41.243 40.800 0.027 0.000 1.029 446 D HN 0.593 nan 8.370 nan 0.000 0.517 447 W N 4.187 125.518 121.300 0.052 0.000 2.305 447 W HA -0.288 4.373 4.660 0.002 0.000 0.308 447 W C 1.842 178.385 176.519 0.040 0.000 1.226 447 W CA 2.208 59.570 57.345 0.029 0.000 1.253 447 W CB 0.145 29.601 29.460 -0.007 0.000 1.146 447 W HN 0.553 nan 8.180 nan 0.000 0.507 448 A N -1.538 121.547 122.820 0.442 0.000 2.015 448 A HA -0.151 4.170 4.320 0.001 0.000 0.219 448 A C 1.421 179.063 177.584 0.097 0.000 1.163 448 A CA 1.421 53.652 52.037 0.324 0.000 0.646 448 A CB -1.146 18.069 19.000 0.357 0.000 0.806 448 A HN 0.522 nan 8.150 nan 0.000 0.448 449 W N -0.865 120.398 121.300 -0.062 0.000 2.704 449 W HA 0.192 4.853 4.660 0.001 0.000 0.266 449 W C 1.792 178.192 176.519 -0.198 0.000 1.266 449 W CA -0.071 57.213 57.345 -0.102 0.000 1.377 449 W CB 0.021 29.444 29.460 -0.062 0.000 1.082 449 W HN 0.131 nan 8.180 nan 0.000 0.608 450 I N -0.149 120.369 120.570 -0.087 0.000 2.286 450 I HA -0.071 4.099 4.170 0.001 0.000 0.245 450 I C 0.713 176.620 176.117 -0.350 0.000 1.104 450 I CA 0.738 61.859 61.300 -0.299 0.000 1.397 450 I CB -1.549 36.185 38.000 -0.442 0.000 1.072 450 I HN -0.418 nan 8.210 nan 0.000 0.417 451 V N 4.024 123.640 119.914 -0.498 0.000 2.529 451 V HA 0.057 4.178 4.120 0.001 0.000 0.292 451 V C -1.866 174.048 176.094 -0.301 0.000 1.028 451 V CA -0.976 61.023 62.300 -0.502 0.000 1.074 451 V CB -0.032 31.236 31.823 -0.926 0.000 0.958 451 V HN 0.125 nan 8.190 nan 0.000 0.481 452 P HA 0.112 nan 4.420 nan 0.000 0.269 452 P C -1.817 175.349 177.300 -0.224 0.000 1.217 452 P CA -1.033 61.937 63.100 -0.215 0.000 0.783 452 P CB 0.055 31.630 31.700 -0.209 0.000 0.898 453 P HA 0.027 nan 4.420 nan 0.000 0.233 453 P C 0.153 177.341 177.300 -0.186 0.000 1.167 453 P CA 1.043 64.019 63.100 -0.205 0.000 0.770 453 P CB 0.088 31.661 31.700 -0.212 0.000 0.837 454 I N -6.000 114.423 120.570 -0.245 0.000 2.785 454 I HA 0.479 4.650 4.170 0.001 0.000 0.302 454 I C -0.013 176.001 176.117 -0.171 0.000 1.069 454 I CA -1.252 59.931 61.300 -0.196 0.000 1.045 454 I CB 1.955 39.824 38.000 -0.218 0.000 1.236 454 I HN -0.393 nan 8.210 nan 0.000 0.429 455 S N 2.187 117.845 115.700 -0.070 0.000 3.587 455 S HA -0.183 4.287 4.470 0.001 0.000 0.337 455 S C 1.380 175.976 174.600 -0.007 0.000 1.119 455 S CA 0.727 58.929 58.200 0.003 0.000 0.976 455 S CB -1.690 61.592 63.200 0.136 0.000 0.922 455 S HN 1.278 nan 8.310 nan 0.000 0.503 456 G N 2.365 111.139 108.800 -0.044 0.000 2.631 456 G HA2 -0.352 3.609 3.960 0.001 0.000 0.219 456 G HA3 -0.352 3.609 3.960 0.001 0.000 0.219 456 G C 1.469 176.313 174.900 -0.094 0.000 1.214 456 G CA 1.716 46.821 45.100 0.008 0.000 0.785 456 G HN 1.355 nan 8.290 nan 0.000 0.596 457 S N -0.245 115.133 115.700 -0.537 0.000 2.561 457 S HA 0.157 4.628 4.470 0.001 0.000 0.225 457 S C 1.939 176.480 174.600 -0.100 0.000 0.977 457 S CA 0.576 58.257 58.200 -0.866 0.000 0.926 457 S CB 0.014 62.379 63.200 -1.391 0.000 0.769 457 S HN 0.061 nan 8.310 nan 0.000 0.533 458 L N 2.570 123.790 121.223 -0.005 0.000 2.554 458 L HA 0.252 4.593 4.340 0.001 0.000 0.226 458 L C 1.362 178.367 176.870 0.226 0.000 1.137 458 L CA 0.667 55.585 54.840 0.129 0.000 0.863 458 L CB -0.956 41.203 42.059 0.166 0.000 0.985 458 L HN 0.611 nan 8.230 nan 0.000 0.451 459 T N -4.483 110.197 114.554 0.210 0.000 2.945 459 T HA 0.395 4.746 4.350 0.001 0.000 0.286 459 T C -1.846 173.026 174.700 0.286 0.000 1.025 459 T CA -1.848 60.392 62.100 0.233 0.000 1.039 459 T CB 1.979 70.938 68.868 0.152 0.000 1.068 459 T HN -0.158 nan 8.240 nan 0.000 0.497 460 P HA 0.021 nan 4.420 nan 0.000 0.231 460 P C 1.752 179.252 177.300 0.334 0.000 1.168 460 P CA 0.510 63.803 63.100 0.323 0.000 0.779 460 P CB -0.325 31.511 31.700 0.226 0.000 0.844 461 V N -3.871 116.187 119.914 0.240 0.000 2.626 461 V HA -0.171 3.950 4.120 0.001 0.000 0.252 461 V C 2.295 178.471 176.094 0.137 0.000 1.067 461 V CA 0.992 63.397 62.300 0.175 0.000 1.081 461 V CB -2.197 29.656 31.823 0.050 0.000 0.686 461 V HN -0.125 nan 8.190 nan 0.000 0.468 462 F N 1.842 121.774 119.950 -0.030 0.000 2.154 462 F HA -0.201 4.327 4.527 0.001 0.000 0.301 462 F C 2.419 178.340 175.800 0.202 0.000 1.087 462 F CA 2.348 60.335 58.000 -0.022 0.000 1.274 462 F CB -0.253 38.607 39.000 -0.234 0.000 1.009 462 F HN 0.288 nan 8.300 nan 0.000 0.485 463 H N -1.212 118.190 119.070 0.552 0.000 2.539 463 H HA 0.138 4.695 4.556 0.001 0.000 0.269 463 H C 0.194 175.774 175.328 0.420 0.000 0.980 463 H CA 0.151 56.491 56.048 0.486 0.000 1.152 463 H CB -0.046 29.974 29.762 0.430 0.000 1.407 463 H HN 0.244 nan 8.280 nan 0.000 0.564 464 Q N 1.895 121.978 119.800 0.471 0.000 2.314 464 Q HA 0.164 4.505 4.340 0.001 0.000 0.259 464 Q C -0.586 175.660 176.000 0.411 0.000 0.951 464 Q CA -0.433 55.602 55.803 0.386 0.000 0.909 464 Q CB 0.861 29.787 28.738 0.313 0.000 1.236 464 Q HN 0.214 nan 8.270 nan 0.000 0.444 465 E N 3.456 123.853 120.200 0.328 0.000 2.392 465 E HA 0.236 4.586 4.350 0.001 0.000 0.264 465 E C -0.546 176.205 176.600 0.252 0.000 1.024 465 E CA 0.371 56.923 56.400 0.252 0.000 0.903 465 E CB 0.751 30.579 29.700 0.214 0.000 0.963 465 E HN 0.593 nan 8.360 nan 0.000 0.432 466 M N 1.813 121.563 119.600 0.251 0.000 2.386 466 M HA 0.334 4.815 4.480 0.001 0.000 0.293 466 M C -1.136 175.280 176.300 0.194 0.000 1.120 466 M CA -0.962 54.486 55.300 0.247 0.000 0.909 466 M CB 2.246 35.041 32.600 0.325 0.000 1.661 466 M HN 0.147 nan 8.290 nan 0.000 0.452 467 V N 1.962 121.995 119.914 0.197 0.000 2.472 467 V HA 0.513 4.634 4.120 0.001 0.000 0.290 467 V C -0.470 175.725 176.094 0.168 0.000 1.037 467 V CA -0.659 61.781 62.300 0.234 0.000 0.908 467 V CB 1.663 33.698 31.823 0.353 0.000 0.985 467 V HN 0.829 nan 8.190 nan 0.000 0.454 468 N N 3.088 121.886 118.700 0.163 0.000 2.314 468 N HA 0.670 5.411 4.740 0.001 0.000 0.294 468 N C -1.254 174.311 175.510 0.092 0.000 1.029 468 N CA -0.482 52.566 53.050 -0.005 0.000 0.845 468 N CB 1.653 40.159 38.487 0.032 0.000 1.321 468 N HN 0.688 nan 8.380 nan 0.000 0.481 469 Y N 0.119 120.442 120.300 0.039 0.000 2.779 469 Y HA 0.546 5.097 4.550 0.001 0.000 0.340 469 Y C -1.355 174.557 175.900 0.019 0.000 1.252 469 Y CA -1.221 56.895 58.100 0.027 0.000 1.072 469 Y CB 0.791 39.269 38.460 0.031 0.000 1.343 469 Y HN 0.205 nan 8.280 nan 0.000 0.450 470 I N 3.095 123.793 120.570 0.212 0.000 2.330 470 I HA 0.432 4.602 4.170 0.001 0.000 0.289 470 I C -0.807 175.402 176.117 0.154 0.000 1.001 470 I CA -0.405 60.959 61.300 0.106 0.000 1.193 470 I CB 1.090 39.131 38.000 0.068 0.000 1.345 470 I HN 0.408 nan 8.210 nan 0.000 0.461 471 L N 4.722 126.011 121.223 0.110 0.000 2.334 471 L HA 0.579 4.920 4.340 0.001 0.000 0.270 471 L C 0.106 177.002 176.870 0.043 0.000 1.018 471 L CA -0.563 54.339 54.840 0.104 0.000 0.811 471 L CB 1.966 44.092 42.059 0.111 0.000 1.271 471 L HN 0.485 nan 8.230 nan 0.000 0.443 472 S N 0.954 116.685 115.700 0.052 0.000 2.503 472 S HA 0.614 5.085 4.470 0.001 0.000 0.301 472 S C -2.528 172.112 174.600 0.066 0.000 1.087 472 S CA -1.459 56.760 58.200 0.032 0.000 1.042 472 S CB 1.653 64.883 63.200 0.052 0.000 1.043 472 S HN 0.234 nan 8.310 nan 0.000 0.489 473 P HA 0.368 nan 4.420 nan 0.000 0.268 473 P C -1.440 175.758 177.300 -0.170 0.000 1.208 473 P CA -0.055 62.986 63.100 -0.099 0.000 0.777 473 P CB 0.517 32.127 31.700 -0.149 0.000 0.875 474 A N 1.800 124.479 122.820 -0.235 0.000 2.549 474 A HA 0.669 4.990 4.320 0.001 0.000 0.297 474 A C -1.367 176.022 177.584 -0.325 0.000 1.061 474 A CA -0.500 51.407 52.037 -0.217 0.000 0.690 474 A CB 0.733 19.691 19.000 -0.069 0.000 1.287 474 A HN 0.289 nan 8.150 nan 0.000 0.402 475 F N 1.149 121.069 119.950 -0.050 0.000 2.384 475 F HA 0.655 5.183 4.527 0.001 0.000 0.338 475 F C 1.133 176.938 175.800 0.007 0.000 1.103 475 F CA 0.301 58.286 58.000 -0.026 0.000 1.157 475 F CB 1.328 40.282 39.000 -0.077 0.000 1.167 475 F HN 0.518 nan 8.300 nan 0.000 0.529 476 R N 1.279 121.912 120.500 0.223 0.000 2.795 476 R HA 0.313 4.654 4.340 0.001 0.000 0.275 476 R C -1.506 174.891 176.300 0.163 0.000 0.981 476 R CA -1.233 54.958 56.100 0.152 0.000 0.917 476 R CB 2.018 32.373 30.300 0.091 0.000 1.202 476 R HN 0.560 nan 8.270 nan 0.000 0.469 477 Y N 2.330 122.651 120.300 0.035 0.000 2.397 477 Y HA 0.019 4.570 4.550 0.002 0.000 0.335 477 Y C -0.081 175.819 175.900 0.000 0.000 1.213 477 Y CA 0.695 58.804 58.100 0.015 0.000 1.391 477 Y CB 0.803 39.257 38.460 -0.010 0.000 1.293 477 Y HN 0.452 nan 8.280 nan 0.000 0.557 478 Q N 5.857 125.397 119.800 -0.433 0.000 2.421 478 Q HA 0.564 4.904 4.340 0.001 0.000 0.280 478 Q C -3.021 172.738 176.000 -0.402 0.000 1.085 478 Q CA -2.597 53.046 55.803 -0.268 0.000 0.807 478 Q CB 2.281 30.909 28.738 -0.184 0.000 1.405 478 Q HN 0.335 nan 8.270 nan 0.000 0.419 479 P HA 0.008 nan 4.420 nan 0.000 0.268 479 P C -0.768 176.277 177.300 -0.423 0.000 1.205 479 P CA 0.028 62.977 63.100 -0.251 0.000 0.771 479 P CB 0.418 32.002 31.700 -0.194 0.000 0.858 480 D N 4.243 124.292 120.400 -0.585 0.000 2.506 480 D HA -0.008 4.633 4.640 0.001 0.000 0.234 480 D C -1.244 174.480 176.300 -0.959 0.000 1.143 480 D CA -0.860 52.555 54.000 -0.976 0.000 0.871 480 D CB -0.338 39.446 40.800 -1.693 0.000 1.190 480 D HN 0.278 nan 8.370 nan 0.000 0.459 481 P HA 0.016 nan 4.420 nan 0.000 0.230 481 P C -0.116 176.838 177.300 -0.576 0.000 1.158 481 P CA 0.507 63.207 63.100 -0.667 0.000 0.769 481 P CB 0.073 31.319 31.700 -0.757 0.000 0.807 482 W N 0.000 120.873 121.300 -0.711 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.091 57.345 -0.423 0.000 1.226 482 W CB 0.000 29.203 29.460 -0.428 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535