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 1rs9_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 YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.587 176.600 -0.022 0.000 0.988 69 K CA 0.000 56.156 56.287 -0.218 0.000 0.838 69 K CB 0.000 32.160 32.500 -0.566 0.000 1.064 70 F N 3.829 123.803 119.950 0.040 0.000 2.402 70 F HA 0.396 4.924 4.527 0.002 0.000 0.355 70 F C -2.312 173.580 175.800 0.154 0.000 1.123 70 F CA -2.418 55.629 58.000 0.078 0.000 1.021 70 F CB 1.319 40.372 39.000 0.087 0.000 1.160 70 F HN -0.261 nan 8.300 nan 0.000 0.451 71 P HA 0.019 nan 4.420 nan 0.000 0.266 71 P C -0.768 176.596 177.300 0.106 0.000 1.195 71 P CA -0.270 62.936 63.100 0.175 0.000 0.768 71 P CB 0.633 32.406 31.700 0.121 0.000 0.838 72 R N 2.424 122.916 120.500 -0.012 0.000 2.229 72 R HA 0.441 4.782 4.340 0.002 0.000 0.328 72 R C -1.457 174.726 176.300 -0.195 0.000 1.009 72 R CA -0.544 55.355 56.100 -0.336 0.000 0.864 72 R CB 0.521 30.690 30.300 -0.219 0.000 1.085 72 R HN 0.210 nan 8.270 nan 0.000 0.453 73 V N 5.260 125.026 119.914 -0.247 0.000 2.384 73 V HA 0.365 4.486 4.120 0.002 0.000 0.287 73 V C -0.318 175.700 176.094 -0.127 0.000 1.020 73 V CA -0.670 61.570 62.300 -0.099 0.000 0.850 73 V CB 1.443 33.240 31.823 -0.044 0.000 0.987 73 V HN 0.756 nan 8.190 nan 0.000 0.436 74 K N 3.906 124.266 120.400 -0.067 0.000 2.316 74 K HA 0.429 4.750 4.320 0.002 0.000 0.251 74 K C -0.648 175.887 176.600 -0.108 0.000 0.934 74 K CA -0.724 55.454 56.287 -0.180 0.000 0.802 74 K CB 1.638 33.907 32.500 -0.385 0.000 1.171 74 K HN 0.672 nan 8.250 nan 0.000 0.426 75 N N 4.303 122.912 118.700 -0.150 0.000 2.527 75 N HA 0.082 4.823 4.740 0.002 0.000 0.236 75 N C -0.344 175.118 175.510 -0.079 0.000 0.999 75 N CA -0.345 52.712 53.050 0.010 0.000 0.935 75 N CB 0.387 38.897 38.487 0.037 0.000 1.132 75 N HN 0.663 nan 8.380 nan 0.000 0.511 76 W N 1.986 123.356 121.300 0.116 0.000 2.848 76 W HA 0.034 4.696 4.660 0.003 0.000 0.241 76 W C 1.971 178.542 176.519 0.087 0.000 1.289 76 W CA -0.027 57.382 57.345 0.106 0.000 1.396 76 W CB 0.177 29.715 29.460 0.131 0.000 1.138 76 W HN 0.651 nan 8.180 nan 0.000 0.677 77 E N 0.023 120.336 120.200 0.189 0.000 2.216 77 E HA -0.037 4.314 4.350 0.002 0.000 0.192 77 E C 1.579 178.187 176.600 0.013 0.000 0.973 77 E CA 0.794 57.220 56.400 0.042 0.000 0.851 77 E CB -0.010 29.653 29.700 -0.060 0.000 0.804 77 E HN 0.290 nan 8.360 nan 0.000 0.477 78 L N -1.393 119.833 121.223 0.005 0.000 2.781 78 L HA 0.432 4.773 4.340 0.002 0.000 0.245 78 L C 1.476 178.311 176.870 -0.058 0.000 1.118 78 L CA 0.353 55.181 54.840 -0.020 0.000 0.918 78 L CB 1.010 43.064 42.059 -0.008 0.000 1.246 78 L HN 0.336 nan 8.230 nan 0.000 0.526 79 G N 0.711 109.442 108.800 -0.116 0.000 2.199 79 G HA2 -0.322 3.639 3.960 0.002 0.000 0.254 79 G HA3 -0.322 3.639 3.960 0.002 0.000 0.254 79 G C 0.478 175.273 174.900 -0.175 0.000 0.982 79 G CA 0.393 45.383 45.100 -0.182 0.000 0.632 79 G HN 0.460 nan 8.290 nan 0.000 0.529 80 S N -0.181 115.445 115.700 -0.123 0.000 2.573 80 S HA 0.650 5.121 4.470 0.002 0.000 0.277 80 S C 0.131 174.648 174.600 -0.139 0.000 1.346 80 S CA 0.059 58.199 58.200 -0.101 0.000 1.034 80 S CB 1.540 64.705 63.200 -0.060 0.000 0.879 80 S HN 0.774 nan 8.310 nan 0.000 0.528 81 I N 1.681 122.180 120.570 -0.118 0.000 2.569 81 I HA 0.433 4.604 4.170 0.002 0.000 0.290 81 I C -0.116 175.913 176.117 -0.147 0.000 1.088 81 I CA -0.509 60.692 61.300 -0.166 0.000 1.047 81 I CB 2.649 40.541 38.000 -0.180 0.000 1.237 81 I HN 0.994 nan 8.210 nan 0.000 0.421 82 T N 1.128 115.550 114.554 -0.219 0.000 2.887 82 T HA 0.642 4.994 4.350 0.002 0.000 0.292 82 T C -1.245 173.242 174.700 -0.355 0.000 1.087 82 T CA -0.789 61.221 62.100 -0.150 0.000 1.009 82 T CB 1.807 70.633 68.868 -0.070 0.000 1.203 82 T HN 0.272 nan 8.240 nan 0.000 0.518 83 Y N 0.216 120.510 120.300 -0.010 0.000 2.331 83 Y HA 0.401 4.952 4.550 0.002 0.000 0.334 83 Y C -0.014 175.853 175.900 -0.054 0.000 0.960 83 Y CA -0.953 57.148 58.100 0.003 0.000 1.130 83 Y CB 1.661 40.139 38.460 0.030 0.000 1.164 83 Y HN 0.712 nan 8.280 nan 0.000 0.458 84 D N 2.545 122.978 120.400 0.055 0.000 2.374 84 D HA 0.049 4.690 4.640 0.002 0.000 0.240 84 D C 0.745 176.931 176.300 -0.190 0.000 1.229 84 D CA 0.256 54.242 54.000 -0.023 0.000 0.895 84 D CB 1.064 41.894 40.800 0.049 0.000 1.046 84 D HN 0.792 nan 8.370 nan 0.000 0.498 85 T N 1.011 115.341 114.554 -0.372 0.000 3.044 85 T HA -0.051 4.300 4.350 0.002 0.000 0.250 85 T C 1.818 176.234 174.700 -0.473 0.000 1.081 85 T CA -0.282 61.335 62.100 -0.804 0.000 1.040 85 T CB 0.176 68.509 68.868 -0.892 0.000 0.962 85 T HN 0.245 nan 8.240 nan 0.000 0.506 86 L N 2.505 123.560 121.223 -0.279 0.000 2.141 86 L HA 0.042 4.383 4.340 0.002 0.000 0.209 86 L C 2.662 179.326 176.870 -0.344 0.000 1.094 86 L CA 1.157 55.881 54.840 -0.194 0.000 0.763 86 L CB -1.016 41.025 42.059 -0.031 0.000 0.908 86 L HN 0.649 nan 8.230 nan 0.000 0.437 87 C N -1.217 117.695 119.300 -0.646 0.000 2.403 87 C HA -0.086 4.375 4.460 0.002 0.000 0.279 87 C C 2.788 177.512 174.990 -0.443 0.000 1.269 87 C CA 0.316 58.687 59.018 -1.078 0.000 1.774 87 C CB -2.261 24.908 27.740 -0.952 0.000 1.993 87 C HN 0.593 nan 8.230 nan 0.000 0.496 88 A N 0.004 122.696 122.820 -0.212 0.000 2.178 88 A HA -0.112 4.210 4.320 0.002 0.000 0.218 88 A C 2.256 179.808 177.584 -0.053 0.000 1.157 88 A CA 1.476 53.485 52.037 -0.046 0.000 0.689 88 A CB -0.489 18.564 19.000 0.088 0.000 0.787 88 A HN 0.757 nan 8.150 nan 0.000 0.465 89 Q N -0.074 119.671 119.800 -0.092 0.000 2.451 89 Q HA 0.048 4.389 4.340 0.002 0.000 0.206 89 Q C 0.735 176.732 176.000 -0.004 0.000 0.947 89 Q CA 0.307 56.091 55.803 -0.031 0.000 0.937 89 Q CB -0.221 28.506 28.738 -0.019 0.000 1.025 89 Q HN 0.522 nan 8.270 nan 0.000 0.511 90 S N 0.991 116.673 115.700 -0.030 0.000 2.516 90 S HA 0.016 4.488 4.470 0.002 0.000 0.282 90 S C 0.841 175.458 174.600 0.028 0.000 1.286 90 S CA -0.001 58.217 58.200 0.029 0.000 1.066 90 S CB 0.510 63.732 63.200 0.036 0.000 0.884 90 S HN 0.134 nan 8.310 nan 0.000 0.491 91 Q N 2.590 122.414 119.800 0.041 0.000 2.217 91 Q HA 0.232 4.573 4.340 0.002 0.000 0.217 91 Q C -0.158 175.862 176.000 0.033 0.000 0.844 91 Q CA 0.165 55.988 55.803 0.035 0.000 0.957 91 Q CB 0.683 29.444 28.738 0.038 0.000 1.127 91 Q HN 0.804 nan 8.270 nan 0.000 0.503 92 Q N 0.667 120.490 119.800 0.038 0.000 2.331 92 Q HA 0.220 4.562 4.340 0.002 0.000 0.272 92 Q C -1.422 174.602 176.000 0.040 0.000 1.062 92 Q CA -0.566 55.257 55.803 0.033 0.000 0.806 92 Q CB 1.632 30.385 28.738 0.026 0.000 1.312 92 Q HN -0.072 nan 8.270 nan 0.000 0.431 93 D N 2.086 122.506 120.400 0.033 0.000 2.382 93 D HA 0.280 4.921 4.640 0.002 0.000 0.245 93 D C 0.252 176.574 176.300 0.036 0.000 1.120 93 D CA 0.386 54.407 54.000 0.036 0.000 0.890 93 D CB 1.366 42.183 40.800 0.028 0.000 1.201 93 D HN 0.672 nan 8.370 nan 0.000 0.433 94 G N 1.221 110.047 108.800 0.044 0.000 2.543 94 G HA2 0.321 4.282 3.960 0.002 0.000 0.267 94 G HA3 0.321 4.282 3.960 0.002 0.000 0.267 94 G C -1.358 173.563 174.900 0.035 0.000 1.406 94 G CA -0.535 44.589 45.100 0.041 0.000 1.048 94 G HN 0.390 nan 8.290 nan 0.000 0.548 95 P HA 0.192 nan 4.420 nan 0.000 0.251 95 P C 0.188 177.507 177.300 0.031 0.000 1.223 95 P CA -0.017 63.103 63.100 0.033 0.000 0.796 95 P CB 0.177 31.898 31.700 0.036 0.000 1.068 96 C N 0.557 119.878 119.300 0.034 0.000 2.347 96 C HA 0.703 5.164 4.460 0.002 0.000 0.366 96 C C 0.898 175.904 174.990 0.027 0.000 1.241 96 C CA 0.024 59.061 59.018 0.031 0.000 2.360 96 C CB 1.224 28.985 27.740 0.034 0.000 2.290 96 C HN 0.383 nan 8.230 nan 0.000 0.587 97 T N -2.249 112.318 114.554 0.022 0.000 2.816 97 T HA 0.471 4.822 4.350 0.002 0.000 0.299 97 T C -2.282 172.428 174.700 0.016 0.000 1.230 97 T CA -0.913 61.198 62.100 0.019 0.000 1.007 97 T CB 1.415 70.292 68.868 0.015 0.000 1.289 97 T HN 0.428 nan 8.240 nan 0.000 0.508 98 P HA -0.033 nan 4.420 nan 0.000 0.225 98 P C 1.188 178.493 177.300 0.008 0.000 1.148 98 P CA 0.518 63.625 63.100 0.011 0.000 0.779 98 P CB 0.248 31.953 31.700 0.010 0.000 0.780 99 R N 0.671 121.176 120.500 0.008 0.000 2.093 99 R HA -0.030 4.311 4.340 0.002 0.000 0.224 99 R C 0.807 177.110 176.300 0.005 0.000 1.101 99 R CA 0.710 56.814 56.100 0.006 0.000 0.979 99 R CB 0.178 30.482 30.300 0.006 0.000 0.877 99 R HN 0.087 nan 8.270 nan 0.000 0.441 100 R N -0.268 120.236 120.500 0.007 0.000 2.629 100 R HA 0.151 4.492 4.340 0.002 0.000 0.266 100 R C -1.889 174.417 176.300 0.011 0.000 1.051 100 R CA -0.717 55.387 56.100 0.007 0.000 0.895 100 R CB 0.139 30.443 30.300 0.007 0.000 1.246 100 R HN 0.072 nan 8.270 nan 0.000 0.459 101 C N 3.768 123.073 119.300 0.008 0.000 2.307 101 C HA 0.570 5.031 4.460 0.002 0.000 0.340 101 C C 0.817 175.819 174.990 0.019 0.000 1.275 101 C CA -0.662 58.364 59.018 0.013 0.000 1.811 101 C CB -0.779 26.963 27.740 0.004 0.000 2.372 101 C HN 0.748 nan 8.230 nan 0.000 0.531 102 L N 5.736 126.976 121.223 0.028 0.000 3.110 102 L HA 0.282 4.623 4.340 0.002 0.000 0.266 102 L C 2.043 178.943 176.870 0.050 0.000 1.257 102 L CA 0.212 55.074 54.840 0.036 0.000 1.038 102 L CB -0.112 41.967 42.059 0.035 0.000 1.395 102 L HN 1.013 nan 8.230 nan 0.000 0.566 103 G N 0.340 109.170 108.800 0.051 0.000 2.470 103 G HA2 -0.258 3.703 3.960 0.002 0.000 0.220 103 G HA3 -0.258 3.703 3.960 0.002 0.000 0.220 103 G C 1.579 176.543 174.900 0.106 0.000 1.121 103 G CA 1.142 46.283 45.100 0.069 0.000 0.766 103 G HN 0.508 nan 8.290 nan 0.000 0.553 104 S N -0.621 115.140 115.700 0.101 0.000 2.593 104 S HA 0.319 4.790 4.470 0.002 0.000 0.217 104 S C 0.660 175.347 174.600 0.144 0.000 0.966 104 S CA -0.461 57.821 58.200 0.136 0.000 0.914 104 S CB -0.035 63.224 63.200 0.100 0.000 0.776 104 S HN -0.013 nan 8.310 nan 0.000 0.523 105 L N 1.991 123.283 121.223 0.115 0.000 2.380 105 L HA 0.268 4.609 4.340 0.002 0.000 0.273 105 L C 1.415 178.375 176.870 0.150 0.000 1.138 105 L CA 0.170 55.076 54.840 0.109 0.000 0.832 105 L CB 0.888 42.992 42.059 0.074 0.000 1.124 105 L HN -0.013 nan 8.230 nan 0.000 0.454 106 V N 2.949 122.960 119.914 0.162 0.000 2.323 106 V HA -0.074 4.047 4.120 0.002 0.000 0.244 106 V C 0.529 176.703 176.094 0.133 0.000 1.041 106 V CA 1.044 63.468 62.300 0.207 0.000 1.025 106 V CB -0.256 31.674 31.823 0.179 0.000 0.656 106 V HN 0.432 nan 8.190 nan 0.000 0.451 107 L N 1.077 122.344 121.223 0.073 0.000 2.346 107 L HA 0.551 4.892 4.340 0.002 0.000 0.276 107 L C -2.232 174.678 176.870 0.067 0.000 1.006 107 L CA -2.120 52.755 54.840 0.058 0.000 0.817 107 L CB 1.403 43.452 42.059 -0.017 0.000 1.272 107 L HN 0.085 nan 8.230 nan 0.000 0.421 108 P HA 0.235 nan 4.420 nan 0.000 0.275 108 P C -0.358 176.965 177.300 0.039 0.000 1.227 108 P CA -0.651 62.484 63.100 0.057 0.000 0.781 108 P CB 0.925 32.661 31.700 0.060 0.000 0.906 121 P HA 0.184 nan 4.420 nan 0.000 0.263 121 P C 1.153 178.467 177.300 0.022 0.000 1.175 121 P CA 0.576 63.685 63.100 0.015 0.000 0.761 121 P CB 0.253 31.961 31.700 0.013 0.000 0.794 122 A N 3.732 126.566 122.820 0.025 0.000 1.985 122 A HA -0.325 3.997 4.320 0.002 0.000 0.223 122 A C 1.931 179.534 177.584 0.032 0.000 1.189 122 A CA 2.013 54.069 52.037 0.032 0.000 0.658 122 A CB -0.835 18.182 19.000 0.028 0.000 0.820 122 A HN 0.711 nan 8.150 nan 0.000 0.464 123 E N -0.919 119.296 120.200 0.025 0.000 2.021 123 E HA -0.256 4.095 4.350 0.002 0.000 0.200 123 E C 2.295 178.913 176.600 0.031 0.000 1.015 123 E CA 1.378 57.792 56.400 0.025 0.000 0.824 123 E CB -0.295 29.417 29.700 0.019 0.000 0.762 123 E HN 0.622 nan 8.360 nan 0.000 0.454 124 Q N 0.621 120.439 119.800 0.029 0.000 1.900 124 Q HA -0.225 4.116 4.340 0.002 0.000 0.219 124 Q C 2.416 178.445 176.000 0.048 0.000 1.012 124 Q CA 1.238 57.061 55.803 0.033 0.000 0.876 124 Q CB -1.046 27.706 28.738 0.024 0.000 0.952 124 Q HN 0.224 nan 8.270 nan 0.000 0.419 125 L N 0.570 121.826 121.223 0.054 0.000 2.034 125 L HA -0.238 4.103 4.340 0.002 0.000 0.217 125 L C 2.377 179.316 176.870 0.115 0.000 1.077 125 L CA 1.683 56.577 54.840 0.090 0.000 0.769 125 L CB -1.004 41.113 42.059 0.097 0.000 0.890 125 L HN 0.291 nan 8.230 nan 0.000 0.435 126 L N -0.685 120.585 121.223 0.078 0.000 1.971 126 L HA -0.261 4.080 4.340 0.002 0.000 0.215 126 L C 2.838 179.739 176.870 0.052 0.000 1.072 126 L CA 2.324 57.194 54.840 0.050 0.000 0.758 126 L CB -0.991 41.086 42.059 0.030 0.000 0.889 126 L HN 0.646 nan 8.230 nan 0.000 0.433 127 S N -1.461 114.271 115.700 0.053 0.000 2.359 127 S HA -0.312 4.159 4.470 0.002 0.000 0.224 127 S C 1.878 176.528 174.600 0.084 0.000 1.035 127 S CA 1.515 59.749 58.200 0.057 0.000 1.018 127 S CB -0.881 62.347 63.200 0.047 0.000 0.876 127 S HN 0.623 nan 8.310 nan 0.000 0.448 128 Q N 1.461 121.319 119.800 0.096 0.000 2.096 128 Q HA -0.018 4.323 4.340 0.002 0.000 0.204 128 Q C 2.671 178.789 176.000 0.196 0.000 0.982 128 Q CA 1.489 57.368 55.803 0.127 0.000 0.850 128 Q CB -0.616 28.183 28.738 0.102 0.000 0.901 128 Q HN 0.757 nan 8.270 nan 0.000 0.422 129 A N 1.293 124.231 122.820 0.196 0.000 1.877 129 A HA -0.216 4.105 4.320 0.002 0.000 0.216 129 A C 2.023 179.711 177.584 0.173 0.000 1.186 129 A CA 1.439 53.611 52.037 0.226 0.000 0.620 129 A CB -0.433 18.583 19.000 0.027 0.000 0.822 129 A HN 0.212 nan 8.150 nan 0.000 0.443 130 R N -0.724 119.835 120.500 0.097 0.000 2.073 130 R HA -0.169 4.172 4.340 0.002 0.000 0.234 130 R C 2.086 178.470 176.300 0.141 0.000 1.134 130 R CA 1.689 57.843 56.100 0.090 0.000 0.952 130 R CB -0.516 29.816 30.300 0.054 0.000 0.850 130 R HN 0.678 nan 8.270 nan 0.000 0.433 131 D N 0.089 120.579 120.400 0.151 0.000 2.104 131 D HA -0.217 4.424 4.640 0.002 0.000 0.194 131 D C 1.637 178.060 176.300 0.206 0.000 0.994 131 D CA 1.130 55.225 54.000 0.158 0.000 0.830 131 D CB -0.102 40.786 40.800 0.146 0.000 0.959 131 D HN 0.122 nan 8.370 nan 0.000 0.452 132 F N 0.722 120.756 119.950 0.139 0.000 2.171 132 F HA -0.104 4.424 4.527 0.002 0.000 0.300 132 F C 1.924 177.852 175.800 0.214 0.000 1.090 132 F CA 1.033 59.145 58.000 0.186 0.000 1.293 132 F CB -0.190 38.922 39.000 0.188 0.000 1.013 132 F HN 0.020 nan 8.300 nan 0.000 0.486 133 I N 0.754 121.338 120.570 0.024 0.000 2.394 133 I HA -0.258 3.913 4.170 0.002 0.000 0.251 133 I C 1.850 177.981 176.117 0.024 0.000 1.136 133 I CA 1.001 62.297 61.300 -0.008 0.000 1.425 133 I CB -1.430 36.670 38.000 0.167 0.000 1.079 133 I HN 0.251 nan 8.210 nan 0.000 0.425 134 N N 0.823 119.570 118.700 0.079 0.000 2.216 134 N HA -0.158 4.583 4.740 0.002 0.000 0.183 134 N C 1.808 177.271 175.510 -0.079 0.000 1.017 134 N CA 0.966 54.055 53.050 0.065 0.000 0.861 134 N CB -0.204 38.372 38.487 0.148 0.000 0.986 134 N HN 0.509 nan 8.380 nan 0.000 0.428 135 Q N -0.350 119.410 119.800 -0.065 0.000 2.079 135 Q HA -0.151 4.191 4.340 0.002 0.000 0.200 135 Q C 1.752 177.520 176.000 -0.387 0.000 0.974 135 Q CA 1.076 56.845 55.803 -0.057 0.000 0.840 135 Q CB -0.219 28.631 28.738 0.186 0.000 0.898 135 Q HN 0.427 nan 8.270 nan 0.000 0.430 136 Y N -0.086 119.764 120.300 -0.750 0.000 2.181 136 Y HA -0.278 4.273 4.550 0.002 0.000 0.288 136 Y C 1.512 176.820 175.900 -0.987 0.000 1.146 136 Y CA 1.565 58.914 58.100 -1.251 0.000 1.164 136 Y CB -0.307 37.515 38.460 -1.063 0.000 0.982 136 Y HN 0.087 nan 8.280 nan 0.000 0.515 137 Y N -0.797 119.061 120.300 -0.736 0.000 2.457 137 Y HA -0.118 4.433 4.550 0.002 0.000 0.292 137 Y C 2.666 178.245 175.900 -0.535 0.000 1.125 137 Y CA 1.279 58.954 58.100 -0.709 0.000 1.254 137 Y CB -0.243 37.733 38.460 -0.806 0.000 1.012 137 Y HN 0.062 nan 8.280 nan 0.000 0.555 138 S N -0.613 114.888 115.700 -0.331 0.000 2.387 138 S HA -0.192 4.279 4.470 0.002 0.000 0.226 138 S C 2.253 176.698 174.600 -0.258 0.000 1.026 138 S CA 1.332 59.408 58.200 -0.206 0.000 0.972 138 S CB -0.520 62.608 63.200 -0.121 0.000 0.814 138 S HN 0.624 nan 8.310 nan 0.000 0.477 139 S N 2.429 117.877 115.700 -0.420 0.000 2.419 139 S HA -0.062 4.409 4.470 0.002 0.000 0.233 139 S C 1.533 175.907 174.600 -0.377 0.000 1.016 139 S CA 1.072 59.046 58.200 -0.376 0.000 0.974 139 S CB -0.815 62.037 63.200 -0.579 0.000 0.786 139 S HN 0.731 nan 8.310 nan 0.000 0.492 140 I N -2.498 117.763 120.570 -0.515 0.000 3.891 140 I HA 0.421 4.592 4.170 0.002 0.000 0.331 140 I C -0.162 175.820 176.117 -0.224 0.000 1.406 140 I CA -0.729 60.337 61.300 -0.390 0.000 1.139 140 I CB -0.521 37.151 38.000 -0.547 0.000 1.056 140 I HN -0.026 nan 8.210 nan 0.000 0.399 141 K N 2.116 122.406 120.400 -0.183 0.000 3.156 141 K HA -0.189 4.132 4.320 0.002 0.000 0.266 141 K C -0.005 176.556 176.600 -0.064 0.000 0.966 141 K CA 0.663 56.889 56.287 -0.102 0.000 0.719 141 K CB -1.383 31.071 32.500 -0.076 0.000 1.333 141 K HN 0.632 nan 8.250 nan 0.000 0.468 142 R N -0.036 120.436 120.500 -0.047 0.000 2.599 142 R HA 0.079 4.420 4.340 0.002 0.000 0.451 142 R C -0.336 175.998 176.300 0.058 0.000 0.988 142 R CA -0.225 55.890 56.100 0.025 0.000 1.085 142 R CB 1.282 31.629 30.300 0.077 0.000 1.452 142 R HN 0.152 nan 8.270 nan 0.000 0.596 143 S N -0.455 115.263 115.700 0.031 0.000 2.562 143 S HA 0.299 4.771 4.470 0.002 0.000 0.281 143 S C 1.484 176.191 174.600 0.178 0.000 1.333 143 S CA 1.409 59.675 58.200 0.111 0.000 1.052 143 S CB 0.837 64.070 63.200 0.055 0.000 0.884 143 S HN 0.688 nan 8.310 nan 0.000 0.506 144 G N 2.802 111.813 108.800 0.352 0.000 2.220 144 G HA2 -0.334 3.627 3.960 0.002 0.000 0.269 144 G HA3 -0.334 3.627 3.960 0.002 0.000 0.269 144 G C 0.489 175.370 174.900 -0.032 0.000 0.977 144 G CA 0.934 46.045 45.100 0.019 0.000 0.634 144 G HN 1.593 nan 8.290 nan 0.000 0.539 145 S N -0.663 115.040 115.700 0.006 0.000 2.650 145 S HA 0.366 4.837 4.470 0.002 0.000 0.251 145 S C 1.442 175.997 174.600 -0.075 0.000 1.325 145 S CA 1.085 59.266 58.200 -0.032 0.000 0.967 145 S CB 0.656 63.849 63.200 -0.011 0.000 1.000 145 S HN 0.673 nan 8.310 nan 0.000 0.584 146 Q N 0.486 120.251 119.800 -0.058 0.000 2.020 146 Q HA 0.109 4.451 4.340 0.002 0.000 0.198 146 Q C 2.269 178.219 176.000 -0.084 0.000 0.974 146 Q CA 2.012 57.777 55.803 -0.062 0.000 0.829 146 Q CB -1.190 27.530 28.738 -0.031 0.000 0.894 146 Q HN 0.867 nan 8.270 nan 0.000 0.433 147 A N -0.230 122.549 122.820 -0.069 0.000 1.940 147 A HA -0.256 4.065 4.320 0.002 0.000 0.219 147 A C 2.060 179.463 177.584 -0.301 0.000 1.176 147 A CA 1.811 53.810 52.037 -0.064 0.000 0.631 147 A CB -1.174 17.887 19.000 0.101 0.000 0.814 147 A HN 0.748 nan 8.150 nan 0.000 0.446 148 H N -0.556 118.043 119.070 -0.786 0.000 2.352 148 H HA -0.146 4.411 4.556 0.002 0.000 0.299 148 H C 2.088 177.126 175.328 -0.482 0.000 1.097 148 H CA 1.540 56.896 56.048 -1.153 0.000 1.311 148 H CB 0.089 29.338 29.762 -0.855 0.000 1.377 148 H HN 0.646 nan 8.280 nan 0.000 0.504 149 E N 0.331 120.377 120.200 -0.257 0.000 2.031 149 E HA -0.171 4.180 4.350 0.002 0.000 0.193 149 E C 2.203 178.729 176.600 -0.124 0.000 0.994 149 E CA 1.300 57.570 56.400 -0.217 0.000 0.800 149 E CB 0.001 29.601 29.700 -0.167 0.000 0.752 149 E HN 0.669 nan 8.360 nan 0.000 0.447 150 E N 0.532 120.680 120.200 -0.087 0.000 2.110 150 E HA -0.201 4.150 4.350 0.002 0.000 0.193 150 E C 2.145 178.739 176.600 -0.010 0.000 0.988 150 E CA 0.702 57.080 56.400 -0.037 0.000 0.804 150 E CB -0.042 29.649 29.700 -0.015 0.000 0.745 150 E HN -0.046 nan 8.360 nan 0.000 0.458 151 R N 1.404 121.907 120.500 0.004 0.000 2.066 151 R HA -0.064 4.278 4.340 0.002 0.000 0.232 151 R C 2.097 178.421 176.300 0.041 0.000 1.131 151 R CA 1.168 57.312 56.100 0.073 0.000 0.955 151 R CB -0.641 29.784 30.300 0.208 0.000 0.851 151 R HN 0.161 nan 8.270 nan 0.000 0.432 152 L N 0.341 121.574 121.223 0.016 0.000 2.187 152 L HA -0.196 4.145 4.340 0.002 0.000 0.213 152 L C 2.447 179.293 176.870 -0.039 0.000 1.100 152 L CA 1.494 56.326 54.840 -0.013 0.000 0.765 152 L CB -0.353 41.675 42.059 -0.052 0.000 0.904 152 L HN 0.363 nan 8.230 nan 0.000 0.437 153 Q N -0.491 119.288 119.800 -0.036 0.000 2.137 153 Q HA -0.181 4.160 4.340 0.002 0.000 0.198 153 Q C 2.026 178.017 176.000 -0.015 0.000 0.960 153 Q CA 1.034 56.820 55.803 -0.029 0.000 0.847 153 Q CB 0.027 28.748 28.738 -0.029 0.000 0.915 153 Q HN 0.517 nan 8.270 nan 0.000 0.448 154 E N 0.002 120.201 120.200 -0.002 0.000 2.153 154 E HA -0.158 4.193 4.350 0.002 0.000 0.194 154 E C 1.996 178.598 176.600 0.002 0.000 0.988 154 E CA 0.997 57.408 56.400 0.017 0.000 0.811 154 E CB 0.163 29.889 29.700 0.042 0.000 0.746 154 E HN 0.109 nan 8.360 nan 0.000 0.466 155 V N 1.533 121.413 119.914 -0.056 0.000 2.283 155 V HA -0.216 3.905 4.120 0.002 0.000 0.243 155 V C 2.175 178.213 176.094 -0.093 0.000 1.039 155 V CA 1.578 63.777 62.300 -0.168 0.000 1.016 155 V CB -0.370 31.263 31.823 -0.317 0.000 0.650 155 V HN 0.206 nan 8.190 nan 0.000 0.449 156 E N 0.603 120.767 120.200 -0.060 0.000 2.070 156 E HA -0.260 4.091 4.350 0.002 0.000 0.197 156 E C 2.357 178.957 176.600 -0.001 0.000 1.004 156 E CA 1.699 58.082 56.400 -0.027 0.000 0.805 156 E CB -0.658 29.028 29.700 -0.023 0.000 0.744 156 E HN 0.565 nan 8.360 nan 0.000 0.451 157 A N 1.324 124.147 122.820 0.005 0.000 1.865 157 A HA -0.258 4.063 4.320 0.002 0.000 0.217 157 A C 2.166 179.777 177.584 0.045 0.000 1.191 157 A CA 1.953 54.003 52.037 0.022 0.000 0.623 157 A CB -0.589 18.424 19.000 0.022 0.000 0.826 157 A HN 0.295 nan 8.150 nan 0.000 0.444 158 E N -0.578 119.662 120.200 0.066 0.000 2.072 158 E HA -0.106 4.245 4.350 0.002 0.000 0.191 158 E C 1.929 178.601 176.600 0.121 0.000 0.985 158 E CA 1.241 57.710 56.400 0.115 0.000 0.801 158 E CB -0.077 29.738 29.700 0.191 0.000 0.750 158 E HN 0.335 nan 8.360 nan 0.000 0.452 159 V N 1.067 121.046 119.914 0.109 0.000 2.427 159 V HA -0.246 3.875 4.120 0.002 0.000 0.248 159 V C 2.360 178.494 176.094 0.068 0.000 1.051 159 V CA 1.665 64.028 62.300 0.105 0.000 1.048 159 V CB -0.691 31.184 31.823 0.086 0.000 0.666 159 V HN 0.388 nan 8.190 nan 0.000 0.456 160 A N 0.717 123.566 122.820 0.048 0.000 1.908 160 A HA -0.210 4.112 4.320 0.002 0.000 0.218 160 A C 2.446 180.053 177.584 0.038 0.000 1.181 160 A CA 2.476 54.534 52.037 0.036 0.000 0.627 160 A CB -0.544 18.471 19.000 0.025 0.000 0.818 160 A HN 0.698 nan 8.150 nan 0.000 0.445 161 S N -2.163 113.564 115.700 0.045 0.000 2.502 161 S HA 0.020 4.491 4.470 0.002 0.000 0.215 161 S C 1.368 175.998 174.600 0.049 0.000 1.009 161 S CA 1.113 59.338 58.200 0.042 0.000 0.908 161 S CB -0.260 62.963 63.200 0.039 0.000 0.801 161 S HN 0.765 nan 8.310 nan 0.000 0.505 162 T N -3.648 110.945 114.554 0.065 0.000 3.004 162 T HA 0.522 4.873 4.350 0.002 0.000 0.266 162 T C 1.508 176.247 174.700 0.066 0.000 0.986 162 T CA 0.633 62.775 62.100 0.070 0.000 0.902 162 T CB 0.103 69.030 68.868 0.098 0.000 1.118 162 T HN 1.151 nan 8.240 nan 0.000 0.522 163 G N 0.425 109.264 108.800 0.065 0.000 2.148 163 G HA2 -0.160 3.802 3.960 0.002 0.000 0.254 163 G HA3 -0.160 3.802 3.960 0.002 0.000 0.254 163 G C 0.175 175.115 174.900 0.066 0.000 0.981 163 G CA 0.701 45.834 45.100 0.056 0.000 0.670 163 G HN 1.170 nan 8.290 nan 0.000 0.528 164 T N -1.813 112.801 114.554 0.100 0.000 2.663 164 T HA 0.635 4.986 4.350 0.002 0.000 0.305 164 T C -1.058 173.768 174.700 0.210 0.000 1.660 164 T CA 0.414 62.578 62.100 0.105 0.000 0.976 164 T CB 1.082 69.931 68.868 -0.032 0.000 1.705 164 T HN 1.615 nan 8.240 nan 0.000 0.494 165 Y N -0.615 119.655 120.300 -0.050 0.000 2.896 165 Y HA 0.893 5.444 4.550 0.002 0.000 0.317 165 Y C -1.362 174.427 175.900 -0.185 0.000 1.444 165 Y CA -1.134 56.995 58.100 0.047 0.000 1.084 165 Y CB 0.813 39.320 38.460 0.080 0.000 1.382 165 Y HN 0.794 nan 8.280 nan 0.000 0.471 166 H N 0.056 119.186 119.070 0.100 0.000 2.865 166 H HA 0.675 5.232 4.556 0.002 0.000 0.372 166 H C -1.253 174.169 175.328 0.157 0.000 1.173 166 H CA -0.911 55.129 56.048 -0.012 0.000 1.147 166 H CB 1.973 31.758 29.762 0.039 0.000 1.805 166 H HN 0.709 nan 8.280 nan 0.000 0.553 167 L N 1.849 123.180 121.223 0.180 0.000 2.343 167 L HA 0.521 4.863 4.340 0.002 0.000 0.275 167 L C 0.188 177.139 176.870 0.136 0.000 1.056 167 L CA -1.185 53.777 54.840 0.204 0.000 0.804 167 L CB 0.747 42.892 42.059 0.143 0.000 1.203 167 L HN 0.339 nan 8.230 nan 0.000 0.440 168 R N 1.146 121.697 120.500 0.086 0.000 2.531 168 R HA 0.059 4.400 4.340 0.002 0.000 0.273 168 R C 0.906 177.198 176.300 -0.012 0.000 1.070 168 R CA -0.295 55.821 56.100 0.027 0.000 1.112 168 R CB 0.435 30.727 30.300 -0.014 0.000 1.049 168 R HN 0.665 nan 8.270 nan 0.000 0.508 169 E N 1.103 121.295 120.200 -0.012 0.000 2.130 169 E HA -0.246 4.105 4.350 0.002 0.000 0.196 169 E C 1.213 177.790 176.600 -0.038 0.000 0.998 169 E CA 2.084 58.466 56.400 -0.029 0.000 0.806 169 E CB 0.223 29.909 29.700 -0.023 0.000 0.738 169 E HN 0.658 nan 8.360 nan 0.000 0.459 170 S N -0.317 115.355 115.700 -0.046 0.000 2.428 170 S HA -0.120 4.352 4.470 0.002 0.000 0.230 170 S C 1.610 176.174 174.600 -0.060 0.000 1.014 170 S CA 0.966 59.155 58.200 -0.018 0.000 0.957 170 S CB -0.130 63.085 63.200 0.024 0.000 0.784 170 S HN 0.332 nan 8.310 nan 0.000 0.499 171 E N 0.910 120.961 120.200 -0.248 0.000 2.076 171 E HA 0.013 4.365 4.350 0.002 0.000 0.190 171 E C 1.999 178.716 176.600 0.196 0.000 0.979 171 E CA 0.857 57.119 56.400 -0.230 0.000 0.807 171 E CB -0.355 29.219 29.700 -0.210 0.000 0.761 171 E HN 0.398 nan 8.360 nan 0.000 0.454 172 L N 1.204 122.458 121.223 0.053 0.000 2.042 172 L HA -0.181 4.161 4.340 0.002 0.000 0.210 172 L C 2.235 179.089 176.870 -0.027 0.000 1.076 172 L CA 1.414 56.226 54.840 -0.046 0.000 0.749 172 L CB -0.295 41.678 42.059 -0.143 0.000 0.893 172 L HN -0.045 nan 8.230 nan 0.000 0.432 173 V N -0.809 119.119 119.914 0.023 0.000 2.427 173 V HA -0.290 3.831 4.120 0.002 0.000 0.248 173 V C 2.267 178.448 176.094 0.146 0.000 1.051 173 V CA 1.933 64.257 62.300 0.040 0.000 1.048 173 V CB -0.812 31.033 31.823 0.037 0.000 0.666 173 V HN 0.550 nan 8.190 nan 0.000 0.456 174 F N 2.046 122.073 119.950 0.130 0.000 2.146 174 F HA -0.004 4.524 4.527 0.002 0.000 0.298 174 F C 2.174 178.117 175.800 0.238 0.000 1.096 174 F CA 1.642 59.771 58.000 0.215 0.000 1.275 174 F CB -0.900 38.297 39.000 0.328 0.000 1.008 174 F HN 0.133 nan 8.300 nan 0.000 0.480 175 G N -0.322 108.578 108.800 0.167 0.000 2.432 175 G HA2 -0.174 3.787 3.960 0.002 0.000 0.219 175 G HA3 -0.174 3.787 3.960 0.002 0.000 0.219 175 G C 1.794 176.575 174.900 -0.197 0.000 1.135 175 G CA 0.776 45.862 45.100 -0.022 0.000 0.767 175 G HN 0.626 nan 8.290 nan 0.000 0.550 176 A N 0.984 123.716 122.820 -0.147 0.000 1.855 176 A HA 0.047 4.368 4.320 0.002 0.000 0.215 176 A C 2.296 179.885 177.584 0.009 0.000 1.191 176 A CA 1.878 53.837 52.037 -0.131 0.000 0.613 176 A CB -0.353 18.599 19.000 -0.080 0.000 0.829 176 A HN 0.348 nan 8.150 nan 0.000 0.442 177 K N -0.993 119.452 120.400 0.075 0.000 2.097 177 K HA -0.195 4.126 4.320 0.002 0.000 0.206 177 K C 2.345 179.048 176.600 0.172 0.000 1.049 177 K CA 1.601 58.041 56.287 0.254 0.000 0.933 177 K CB -0.128 32.544 32.500 0.288 0.000 0.717 177 K HN 0.378 nan 8.250 nan 0.000 0.442 178 Q N 0.540 120.261 119.800 -0.132 0.000 2.124 178 Q HA -0.056 4.286 4.340 0.002 0.000 0.202 178 Q C 1.888 177.760 176.000 -0.213 0.000 0.977 178 Q CA 1.754 57.367 55.803 -0.317 0.000 0.850 178 Q CB -0.269 28.145 28.738 -0.540 0.000 0.901 178 Q HN 0.344 nan 8.270 nan 0.000 0.429 179 A N -0.660 122.045 122.820 -0.192 0.000 1.902 179 A HA -0.184 4.137 4.320 0.002 0.000 0.217 179 A C 1.840 179.477 177.584 0.089 0.000 1.181 179 A CA 1.457 53.342 52.037 -0.255 0.000 0.623 179 A CB -1.169 17.360 19.000 -0.785 0.000 0.818 179 A HN 0.663 nan 8.150 nan 0.000 0.443 180 W N 1.025 122.361 121.300 0.060 0.000 2.354 180 W HA -0.146 4.515 4.660 0.002 0.000 0.315 180 W C 2.359 178.852 176.519 -0.044 0.000 1.206 180 W CA 1.610 59.010 57.345 0.093 0.000 1.290 180 W CB -0.810 28.686 29.460 0.059 0.000 1.152 180 W HN 0.379 nan 8.180 nan 0.000 0.489 181 R N 0.304 120.760 120.500 -0.073 0.000 2.103 181 R HA -0.210 4.131 4.340 0.002 0.000 0.242 181 R C 1.654 177.811 176.300 -0.239 0.000 1.142 181 R CA 1.955 57.798 56.100 -0.428 0.000 0.960 181 R CB -0.645 29.099 30.300 -0.927 0.000 0.858 181 R HN 0.139 nan 8.270 nan 0.000 0.439 182 N N 0.215 118.822 118.700 -0.155 0.000 2.461 182 N HA -0.001 4.740 4.740 0.002 0.000 0.188 182 N C -0.342 175.130 175.510 -0.063 0.000 1.134 182 N CA 0.628 53.611 53.050 -0.113 0.000 0.878 182 N CB 0.397 38.819 38.487 -0.108 0.000 0.972 182 N HN 0.169 nan 8.380 nan 0.000 0.456 183 A N 2.125 124.953 122.820 0.013 0.000 2.475 183 A HA 0.265 4.586 4.320 0.002 0.000 0.293 183 A C -1.249 176.317 177.584 -0.030 0.000 1.252 183 A CA -1.034 51.010 52.037 0.013 0.000 0.920 183 A CB 0.333 19.387 19.000 0.091 0.000 1.125 183 A HN -0.018 nan 8.150 nan 0.000 0.528 184 P HA -0.140 nan 4.420 nan 0.000 0.219 184 P C 1.050 178.295 177.300 -0.090 0.000 1.146 184 P CA 1.175 64.216 63.100 -0.099 0.000 0.808 184 P CB 0.153 31.758 31.700 -0.159 0.000 0.779 185 R N -2.153 118.255 120.500 -0.154 0.000 2.334 185 R HA 0.158 4.499 4.340 0.002 0.000 0.220 185 R C 0.138 176.450 176.300 0.019 0.000 0.917 185 R CA -0.169 55.858 56.100 -0.121 0.000 1.073 185 R CB -0.416 29.589 30.300 -0.491 0.000 1.056 185 R HN 0.186 nan 8.270 nan 0.000 0.506 186 C N 0.421 119.717 119.300 -0.006 0.000 2.273 186 C HA 0.235 4.696 4.460 0.002 0.000 0.328 186 C C 1.842 176.799 174.990 -0.055 0.000 1.275 186 C CA -0.680 58.356 59.018 0.030 0.000 1.704 186 C CB 0.759 28.571 27.740 0.119 0.000 2.326 186 C HN 0.285 nan 8.230 nan 0.000 0.517 187 V N 5.832 125.676 119.914 -0.117 0.000 3.306 187 V HA 0.218 4.339 4.120 0.002 0.000 0.264 187 V C 1.706 177.823 176.094 0.038 0.000 1.149 187 V CA 2.042 64.174 62.300 -0.279 0.000 1.143 187 V CB -0.089 31.584 31.823 -0.251 0.000 0.767 187 V HN 1.071 nan 8.190 nan 0.000 0.476 188 G N -0.601 108.254 108.800 0.093 0.000 3.523 188 G HA2 0.084 4.045 3.960 0.002 0.000 0.270 188 G HA3 0.084 4.045 3.960 0.002 0.000 0.270 188 G C 1.126 176.072 174.900 0.077 0.000 1.134 188 G CA -0.388 44.783 45.100 0.118 0.000 0.825 188 G HN 0.422 nan 8.290 nan 0.000 0.534 189 R N -0.286 120.181 120.500 -0.056 0.000 2.377 189 R HA 0.013 4.354 4.340 0.002 0.000 0.207 189 R C 1.957 177.867 176.300 -0.651 0.000 1.075 189 R CA 0.110 55.892 56.100 -0.530 0.000 1.035 189 R CB -0.124 29.781 30.300 -0.658 0.000 0.857 189 R HN 0.421 nan 8.270 nan 0.000 0.475 190 I N 0.993 121.367 120.570 -0.327 0.000 2.567 190 I HA -0.233 3.938 4.170 0.002 0.000 0.257 190 I C 1.496 177.537 176.117 -0.127 0.000 1.184 190 I CA 1.568 62.826 61.300 -0.071 0.000 1.451 190 I CB 0.105 38.138 38.000 0.055 0.000 1.089 190 I HN 0.100 nan 8.210 nan 0.000 0.441 191 Q N -0.114 119.526 119.800 -0.267 0.000 2.360 191 Q HA -0.062 4.279 4.340 0.002 0.000 0.202 191 Q C 1.696 177.216 176.000 -0.800 0.000 0.915 191 Q CA 0.371 55.977 55.803 -0.328 0.000 0.943 191 Q CB -0.371 28.334 28.738 -0.055 0.000 1.064 191 Q HN 0.824 nan 8.270 nan 0.000 0.511 192 W N 0.451 120.993 121.300 -1.263 0.000 2.303 192 W HA -0.178 4.483 4.660 0.002 0.000 0.287 192 W C 1.084 177.266 176.519 -0.561 0.000 1.213 192 W CA 1.290 57.778 57.345 -1.428 0.000 1.203 192 W CB -1.177 27.688 29.460 -0.992 0.000 1.136 192 W HN 0.059 nan 8.180 nan 0.000 0.547 193 G N 1.078 109.095 108.800 -1.305 0.000 2.511 193 G HA2 -0.165 3.796 3.960 0.002 0.000 0.217 193 G HA3 -0.165 3.796 3.960 0.002 0.000 0.217 193 G C 0.756 175.379 174.900 -0.461 0.000 1.133 193 G CA 0.067 44.478 45.100 -1.148 0.000 0.792 193 G HN 0.224 nan 8.290 nan 0.000 0.539 194 K N 0.338 120.576 120.400 -0.271 0.000 2.300 194 K HA 0.518 4.839 4.320 0.002 0.000 0.264 194 K C -1.745 174.928 176.600 0.121 0.000 1.083 194 K CA -0.660 55.594 56.287 -0.055 0.000 0.958 194 K CB 0.506 33.006 32.500 0.001 0.000 1.318 194 K HN 0.079 nan 8.250 nan 0.000 0.448 195 L N 3.395 124.681 121.223 0.105 0.000 2.516 195 L HA 0.294 4.635 4.340 0.002 0.000 0.267 195 L C -1.463 175.410 176.870 0.006 0.000 0.957 195 L CA -0.373 54.564 54.840 0.162 0.000 0.860 195 L CB 2.023 44.252 42.059 0.283 0.000 1.265 195 L HN 0.499 nan 8.230 nan 0.000 0.403 196 Q N 3.139 122.904 119.800 -0.058 0.000 2.314 196 Q HA 0.536 4.877 4.340 0.002 0.000 0.257 196 Q C -1.453 174.242 176.000 -0.510 0.000 0.975 196 Q CA -0.113 55.497 55.803 -0.322 0.000 0.933 196 Q CB 1.184 29.674 28.738 -0.413 0.000 1.195 196 Q HN 0.535 nan 8.270 nan 0.000 0.426 197 V N 5.940 125.555 119.914 -0.498 0.000 2.370 197 V HA 0.387 4.509 4.120 0.002 0.000 0.279 197 V C -0.564 175.172 176.094 -0.597 0.000 1.029 197 V CA -0.529 61.519 62.300 -0.421 0.000 0.870 197 V CB 0.347 32.034 31.823 -0.226 0.000 0.984 197 V HN 0.613 nan 8.190 nan 0.000 0.451 198 F N 2.705 122.521 119.950 -0.223 0.000 2.385 198 F HA 0.361 4.889 4.527 0.002 0.000 0.360 198 F C 0.502 176.142 175.800 -0.267 0.000 1.122 198 F CA -0.917 56.948 58.000 -0.225 0.000 1.090 198 F CB 1.044 39.909 39.000 -0.225 0.000 1.150 198 F HN 0.443 nan 8.300 nan 0.000 0.472 199 D N 3.374 123.733 120.400 -0.068 0.000 2.352 199 D HA 0.383 5.024 4.640 0.002 0.000 0.245 199 D C -0.009 176.138 176.300 -0.255 0.000 1.224 199 D CA 0.090 53.994 54.000 -0.159 0.000 0.879 199 D CB 0.997 41.741 40.800 -0.093 0.000 1.057 199 D HN 0.599 nan 8.370 nan 0.000 0.491 200 A N 4.619 127.124 122.820 -0.526 0.000 2.749 200 A HA 0.195 4.516 4.320 0.002 0.000 0.299 200 A C 1.396 178.716 177.584 -0.439 0.000 1.105 200 A CA -0.455 51.042 52.037 -0.901 0.000 0.987 200 A CB 0.037 17.932 19.000 -1.841 0.000 1.180 200 A HN 0.541 nan 8.150 nan 0.000 0.528 201 R N 0.920 121.290 120.500 -0.217 0.000 2.323 201 R HA -0.016 4.325 4.340 0.002 0.000 0.198 201 R C -0.068 176.209 176.300 -0.038 0.000 0.988 201 R CA 0.978 57.024 56.100 -0.090 0.000 1.041 201 R CB 0.147 30.451 30.300 0.006 0.000 0.926 201 R HN 0.649 nan 8.270 nan 0.000 0.476 202 D N -0.540 119.854 120.400 -0.009 0.000 2.895 202 D HA 0.003 4.644 4.640 0.002 0.000 0.258 202 D C -0.564 175.819 176.300 0.138 0.000 1.311 202 D CA -0.326 53.717 54.000 0.071 0.000 0.843 202 D CB -0.277 40.580 40.800 0.095 0.000 1.055 202 D HN -0.041 nan 8.370 nan 0.000 0.486 203 C N 1.277 120.637 119.300 0.099 0.000 2.319 203 C HA 0.507 4.968 4.460 0.002 0.000 0.335 203 C C 1.581 176.723 174.990 0.254 0.000 1.274 203 C CA -0.054 59.087 59.018 0.206 0.000 1.806 203 C CB 0.587 28.441 27.740 0.189 0.000 2.329 203 C HN 0.509 nan 8.230 nan 0.000 0.524 204 S N 2.382 118.259 115.700 0.295 0.000 2.632 204 S HA 0.275 4.746 4.470 0.002 0.000 0.237 204 S C 0.157 174.910 174.600 0.254 0.000 1.037 204 S CA 0.282 58.666 58.200 0.307 0.000 1.009 204 S CB -0.116 63.199 63.200 0.192 0.000 0.974 204 S HN 1.138 nan 8.310 nan 0.000 0.544 205 S N -0.360 115.483 115.700 0.238 0.000 2.607 205 S HA 0.820 5.291 4.470 0.002 0.000 0.273 205 S C 0.788 175.464 174.600 0.127 0.000 1.148 205 S CA -0.322 57.965 58.200 0.146 0.000 0.833 205 S CB 1.085 64.354 63.200 0.116 0.000 1.130 205 S HN 0.484 nan 8.310 nan 0.000 0.470 206 A N 0.574 123.447 122.820 0.089 0.000 2.019 206 A HA -0.070 4.251 4.320 0.002 0.000 0.219 206 A C 2.075 179.623 177.584 -0.061 0.000 1.164 206 A CA 2.076 54.146 52.037 0.054 0.000 0.644 206 A CB -1.031 18.075 19.000 0.176 0.000 0.805 206 A HN 0.870 nan 8.150 nan 0.000 0.449 207 Q N 0.476 120.333 119.800 0.095 0.000 2.079 207 Q HA -0.149 4.192 4.340 0.002 0.000 0.200 207 Q C 1.711 177.716 176.000 0.007 0.000 0.974 207 Q CA 2.251 58.089 55.803 0.058 0.000 0.840 207 Q CB -0.380 28.471 28.738 0.189 0.000 0.898 207 Q HN 0.745 nan 8.270 nan 0.000 0.430 208 E N -0.561 119.682 120.200 0.072 0.000 2.107 208 E HA -0.114 4.237 4.350 0.002 0.000 0.191 208 E C 2.051 178.761 176.600 0.182 0.000 0.982 208 E CA 1.074 57.546 56.400 0.119 0.000 0.809 208 E CB -0.129 29.692 29.700 0.201 0.000 0.756 208 E HN 0.433 nan 8.360 nan 0.000 0.459 209 M N 0.134 119.791 119.600 0.095 0.000 2.080 209 M HA -0.174 4.308 4.480 0.002 0.000 0.260 209 M C 2.197 178.499 176.300 0.003 0.000 1.068 209 M CA 1.467 56.763 55.300 -0.006 0.000 1.109 209 M CB -0.324 32.067 32.600 -0.349 0.000 1.342 209 M HN 0.117 nan 8.290 nan 0.000 0.405 210 F N 0.666 120.398 119.950 -0.364 0.000 2.269 210 F HA -0.202 4.326 4.527 0.002 0.000 0.301 210 F C 2.146 177.835 175.800 -0.185 0.000 1.082 210 F CA 1.500 59.242 58.000 -0.430 0.000 1.360 210 F CB -0.165 38.239 39.000 -0.994 0.000 1.041 210 F HN 0.027 nan 8.300 nan 0.000 0.512 211 T N -0.677 113.787 114.554 -0.149 0.000 2.732 211 T HA -0.175 4.176 4.350 0.002 0.000 0.261 211 T C 1.580 176.144 174.700 -0.227 0.000 1.040 211 T CA 1.703 63.678 62.100 -0.208 0.000 1.145 211 T CB -0.602 68.169 68.868 -0.162 0.000 0.866 211 T HN 0.331 nan 8.240 nan 0.000 0.427 212 Y N 0.947 121.217 120.300 -0.048 0.000 2.224 212 Y HA -0.037 4.514 4.550 0.002 0.000 0.289 212 Y C 2.244 178.096 175.900 -0.080 0.000 1.146 212 Y CA 0.851 58.933 58.100 -0.030 0.000 1.182 212 Y CB -0.330 38.219 38.460 0.148 0.000 0.983 212 Y HN 0.177 nan 8.280 nan 0.000 0.524 213 I N -1.613 119.007 120.570 0.084 0.000 2.315 213 I HA -0.338 3.833 4.170 0.002 0.000 0.248 213 I C 2.151 178.151 176.117 -0.194 0.000 1.117 213 I CA 0.796 62.066 61.300 -0.050 0.000 1.404 213 I CB -0.398 37.535 38.000 -0.113 0.000 1.071 213 I HN 0.321 nan 8.210 nan 0.000 0.419 214 C N 0.672 119.748 119.300 -0.374 0.000 2.435 214 C HA -0.078 4.383 4.460 0.002 0.000 0.279 214 C C 2.529 177.407 174.990 -0.188 0.000 1.321 214 C CA 0.667 59.475 59.018 -0.349 0.000 1.752 214 C CB -1.295 26.149 27.740 -0.494 0.000 1.959 214 C HN 0.540 nan 8.230 nan 0.000 0.500 215 N N -0.277 118.311 118.700 -0.187 0.000 2.300 215 N HA -0.086 4.655 4.740 0.002 0.000 0.179 215 N C 1.429 176.822 175.510 -0.196 0.000 1.016 215 N CA 0.962 53.898 53.050 -0.191 0.000 0.876 215 N CB -0.606 37.722 38.487 -0.264 0.000 0.979 215 N HN 0.738 nan 8.380 nan 0.000 0.432 216 H N 1.116 120.010 119.070 -0.292 0.000 2.293 216 H HA 0.061 4.618 4.556 0.002 0.000 0.300 216 H C 2.156 177.461 175.328 -0.038 0.000 1.082 216 H CA 1.564 57.472 56.048 -0.233 0.000 1.308 216 H CB -0.010 29.672 29.762 -0.133 0.000 1.375 216 H HN 0.031 nan 8.280 nan 0.000 0.495 217 I N 0.731 121.417 120.570 0.193 0.000 2.208 217 I HA -0.299 3.872 4.170 0.002 0.000 0.245 217 I C 2.679 178.858 176.117 0.104 0.000 1.097 217 I CA 1.614 62.995 61.300 0.134 0.000 1.363 217 I CB -0.387 37.618 38.000 0.007 0.000 1.051 217 I HN 0.363 nan 8.210 nan 0.000 0.413 218 K N 0.499 120.928 120.400 0.049 0.000 2.063 218 K HA -0.268 4.053 4.320 0.002 0.000 0.208 218 K C 2.392 179.036 176.600 0.074 0.000 1.048 218 K CA 1.853 58.162 56.287 0.037 0.000 0.928 218 K CB -0.274 32.226 32.500 0.001 0.000 0.713 218 K HN 0.269 nan 8.250 nan 0.000 0.442 219 Y N 0.618 120.902 120.300 -0.026 0.000 2.184 219 Y HA -0.060 4.491 4.550 0.002 0.000 0.290 219 Y C 2.031 177.975 175.900 0.073 0.000 1.129 219 Y CA 1.462 59.575 58.100 0.021 0.000 1.144 219 Y CB -0.447 38.022 38.460 0.015 0.000 0.995 219 Y HN 0.139 nan 8.280 nan 0.000 0.513 220 A N -0.428 122.571 122.820 0.298 0.000 1.908 220 A HA -0.192 4.129 4.320 0.002 0.000 0.218 220 A C 2.191 179.847 177.584 0.119 0.000 1.181 220 A CA 2.411 54.594 52.037 0.243 0.000 0.627 220 A CB -1.371 17.831 19.000 0.336 0.000 0.818 220 A HN 0.521 nan 8.150 nan 0.000 0.445 221 T N -0.444 114.172 114.554 0.104 0.000 2.777 221 T HA -0.124 4.227 4.350 0.002 0.000 0.266 221 T C 1.029 175.739 174.700 0.016 0.000 1.040 221 T CA 0.973 63.119 62.100 0.078 0.000 1.141 221 T CB -0.605 68.306 68.868 0.073 0.000 0.868 221 T HN 0.758 nan 8.240 nan 0.000 0.444 222 N N 0.917 119.592 118.700 -0.042 0.000 2.707 222 N HA -0.303 4.438 4.740 0.002 0.000 0.253 222 N C -0.507 174.975 175.510 -0.046 0.000 0.998 222 N CA -0.056 52.942 53.050 -0.088 0.000 0.751 222 N CB -0.373 38.019 38.487 -0.159 0.000 0.920 222 N HN 0.165 nan 8.380 nan 0.000 0.539 223 R N -2.213 118.274 120.500 -0.021 0.000 3.770 223 R HA -0.216 4.126 4.340 0.002 0.000 0.305 223 R C 1.231 177.522 176.300 -0.015 0.000 1.184 223 R CA 1.489 57.580 56.100 -0.016 0.000 0.823 223 R CB -2.154 28.132 30.300 -0.024 0.000 1.285 223 R HN 1.014 nan 8.270 nan 0.000 0.499 224 G N -0.377 108.424 108.800 0.001 0.000 2.279 224 G HA2 -0.354 3.608 3.960 0.002 0.000 0.223 224 G HA3 -0.354 3.608 3.960 0.002 0.000 0.223 224 G C 0.130 175.026 174.900 -0.006 0.000 1.015 224 G CA 0.215 45.319 45.100 0.006 0.000 0.621 224 G HN 0.411 nan 8.290 nan 0.000 0.506 225 N N 1.480 120.161 118.700 -0.032 0.000 3.298 225 N HA 0.456 5.197 4.740 0.002 0.000 0.292 225 N C 0.539 176.018 175.510 -0.052 0.000 1.271 225 N CA -0.482 52.529 53.050 -0.065 0.000 1.184 225 N CB -0.401 38.044 38.487 -0.070 0.000 1.452 225 N HN 0.257 nan 8.380 nan 0.000 0.534 226 L N 1.360 122.579 121.223 -0.006 0.000 2.605 226 L HA -0.059 4.282 4.340 0.002 0.000 0.296 226 L C 0.757 177.731 176.870 0.174 0.000 1.255 226 L CA 1.232 56.136 54.840 0.108 0.000 0.879 226 L CB 0.038 42.245 42.059 0.247 0.000 1.124 226 L HN 0.383 nan 8.230 nan 0.000 0.507 227 R N 1.481 122.109 120.500 0.214 0.000 2.561 227 R HA 0.455 4.796 4.340 0.002 0.000 0.297 227 R C -0.593 175.906 176.300 0.332 0.000 0.969 227 R CA -0.711 55.546 56.100 0.262 0.000 0.879 227 R CB 1.662 31.992 30.300 0.050 0.000 1.178 227 R HN 0.582 nan 8.270 nan 0.000 0.445 228 S N 1.428 117.328 115.700 0.334 0.000 2.549 228 S HA 0.479 4.950 4.470 0.002 0.000 0.283 228 S C -0.191 174.511 174.600 0.170 0.000 1.320 228 S CA -0.220 58.086 58.200 0.176 0.000 1.058 228 S CB 1.200 64.465 63.200 0.108 0.000 0.882 228 S HN 0.717 nan 8.310 nan 0.000 0.498 229 A N 2.439 125.320 122.820 0.101 0.000 2.608 229 A HA 0.809 5.130 4.320 0.002 0.000 0.292 229 A C -1.360 176.276 177.584 0.086 0.000 1.066 229 A CA -0.666 51.385 52.037 0.024 0.000 0.676 229 A CB 1.146 20.144 19.000 -0.004 0.000 1.277 229 A HN 0.804 nan 8.150 nan 0.000 0.413 230 I N 0.399 121.010 120.570 0.068 0.000 2.752 230 I HA 0.633 4.805 4.170 0.002 0.000 0.295 230 I C -1.252 174.967 176.117 0.170 0.000 1.219 230 I CA -0.147 61.298 61.300 0.241 0.000 1.030 230 I CB 2.425 40.528 38.000 0.171 0.000 1.259 230 I HN 0.626 nan 8.210 nan 0.000 0.423 231 T N 6.234 120.910 114.554 0.203 0.000 2.786 231 T HA 0.462 4.814 4.350 0.002 0.000 0.283 231 T C -0.708 173.794 174.700 -0.330 0.000 0.992 231 T CA -0.382 61.679 62.100 -0.065 0.000 0.954 231 T CB 1.581 70.387 68.868 -0.104 0.000 0.934 231 T HN 0.262 nan 8.240 nan 0.000 0.440 232 V N 4.854 124.515 119.914 -0.421 0.000 2.370 232 V HA 0.505 4.626 4.120 0.002 0.000 0.279 232 V C -0.441 175.361 176.094 -0.486 0.000 1.029 232 V CA -0.757 61.310 62.300 -0.387 0.000 0.870 232 V CB 0.144 31.710 31.823 -0.429 0.000 0.984 232 V HN 0.705 nan 8.190 nan 0.000 0.451 233 F N 4.759 124.654 119.950 -0.092 0.000 2.410 233 F HA 0.553 5.081 4.527 0.002 0.000 0.324 233 F C -1.882 173.824 175.800 -0.156 0.000 1.093 233 F CA -2.558 55.308 58.000 -0.223 0.000 1.028 233 F CB 0.331 39.185 39.000 -0.243 0.000 1.309 233 F HN 0.293 nan 8.300 nan 0.000 0.499 234 P HA -0.048 nan 4.420 nan 0.000 0.263 234 P C -0.871 176.348 177.300 -0.135 0.000 1.175 234 P CA 0.046 62.995 63.100 -0.251 0.000 0.761 234 P CB 0.173 31.498 31.700 -0.625 0.000 0.794 235 Q N 3.626 123.260 119.800 -0.276 0.000 2.535 235 Q HA 0.151 4.492 4.340 0.002 0.000 0.228 235 Q C -0.270 175.558 176.000 -0.286 0.000 1.062 235 Q CA -0.222 55.171 55.803 -0.683 0.000 0.967 235 Q CB 0.558 28.679 28.738 -1.028 0.000 1.273 235 Q HN 0.346 nan 8.270 nan 0.000 0.554 236 R N -0.293 120.030 120.500 -0.295 0.000 2.490 236 R HA 0.541 4.882 4.340 0.002 0.000 0.278 236 R C -0.848 175.374 176.300 -0.129 0.000 1.069 236 R CA 0.036 56.062 56.100 -0.123 0.000 1.080 236 R CB 1.114 31.346 30.300 -0.113 0.000 1.030 236 R HN 0.713 nan 8.270 nan 0.000 0.491 237 A N 3.890 126.680 122.820 -0.050 0.000 2.353 237 A HA 0.450 4.771 4.320 0.002 0.000 0.299 237 A C -2.453 175.116 177.584 -0.024 0.000 1.089 237 A CA -1.920 50.092 52.037 -0.041 0.000 0.736 237 A CB 1.159 20.161 19.000 0.004 0.000 1.195 237 A HN 0.431 nan 8.150 nan 0.000 0.447 238 P HA 0.184 nan 4.420 nan 0.000 0.259 238 P C 1.282 178.578 177.300 -0.006 0.000 1.163 238 P CA 2.397 65.486 63.100 -0.018 0.000 0.760 238 P CB 0.528 32.219 31.700 -0.015 0.000 0.762 239 G N 2.303 111.100 108.800 -0.005 0.000 2.383 239 G HA2 -0.286 3.675 3.960 0.002 0.000 0.229 239 G HA3 -0.286 3.675 3.960 0.002 0.000 0.229 239 G C 0.494 175.393 174.900 -0.001 0.000 1.089 239 G CA 0.003 45.103 45.100 -0.001 0.000 0.640 239 G HN 0.740 nan 8.290 nan 0.000 0.510 240 R N 1.712 122.212 120.500 0.000 0.000 2.528 240 R HA 0.529 4.870 4.340 0.002 0.000 0.271 240 R C 0.995 177.290 176.300 -0.008 0.000 1.056 240 R CA 0.239 56.338 56.100 -0.003 0.000 1.117 240 R CB 0.427 30.732 30.300 0.008 0.000 1.085 240 R HN 0.415 nan 8.270 nan 0.000 0.530 241 G N 1.737 110.523 108.800 -0.024 0.000 2.527 241 G HA2 0.056 4.017 3.960 0.002 0.000 0.248 241 G HA3 0.056 4.017 3.960 0.002 0.000 0.248 241 G C -0.687 174.195 174.900 -0.031 0.000 1.231 241 G CA -0.497 44.587 45.100 -0.027 0.000 0.838 241 G HN 0.609 nan 8.290 nan 0.000 0.570 242 D N -0.074 120.331 120.400 0.008 0.000 2.339 242 D HA 0.278 4.919 4.640 0.002 0.000 0.245 242 D C -0.038 176.302 176.300 0.067 0.000 1.115 242 D CA 0.147 54.189 54.000 0.070 0.000 0.917 242 D CB 0.823 41.668 40.800 0.075 0.000 1.192 242 D HN 0.110 nan 8.370 nan 0.000 0.428 243 F N 1.214 121.180 119.950 0.027 0.000 2.412 243 F HA 0.326 4.855 4.527 0.002 0.000 0.348 243 F C 1.141 176.965 175.800 0.040 0.000 1.102 243 F CA 0.107 58.114 58.000 0.013 0.000 1.196 243 F CB 0.640 39.635 39.000 -0.009 0.000 1.144 243 F HN -0.171 nan 8.300 nan 0.000 0.541 244 R N 2.959 123.586 120.500 0.211 0.000 2.707 244 R HA 0.524 4.865 4.340 0.002 0.000 0.272 244 R C -1.403 175.034 176.300 0.228 0.000 1.011 244 R CA -0.872 55.361 56.100 0.223 0.000 0.893 244 R CB 2.236 32.697 30.300 0.269 0.000 1.233 244 R HN 0.619 nan 8.270 nan 0.000 0.464 245 I N 1.980 122.680 120.570 0.216 0.000 2.371 245 I HA 0.142 4.314 4.170 0.002 0.000 0.282 245 I C 0.484 176.788 176.117 0.312 0.000 1.031 245 I CA -0.441 60.979 61.300 0.201 0.000 1.180 245 I CB 1.087 39.152 38.000 0.108 0.000 1.336 245 I HN 0.533 nan 8.210 nan 0.000 0.467 246 W N 3.601 124.940 121.300 0.065 0.000 2.321 246 W HA -0.173 4.489 4.660 0.002 0.000 0.306 246 W C 1.102 177.716 176.519 0.159 0.000 1.217 246 W CA 0.486 57.924 57.345 0.154 0.000 1.257 246 W CB -0.904 28.655 29.460 0.165 0.000 1.145 246 W HN 0.408 nan 8.180 nan 0.000 0.509 247 N N -0.122 118.747 118.700 0.282 0.000 2.416 247 N HA 0.011 4.752 4.740 0.002 0.000 0.246 247 N C 1.222 176.790 175.510 0.096 0.000 1.260 247 N CA 0.971 54.107 53.050 0.143 0.000 0.897 247 N CB 0.563 39.077 38.487 0.045 0.000 1.110 247 N HN -0.078 nan 8.380 nan 0.000 0.439 248 S N -0.292 115.450 115.700 0.070 0.000 2.524 248 S HA 0.090 4.561 4.470 0.002 0.000 0.216 248 S C 0.223 174.814 174.600 -0.015 0.000 0.987 248 S CA 0.198 58.425 58.200 0.044 0.000 0.909 248 S CB 0.162 63.408 63.200 0.077 0.000 0.781 248 S HN 0.599 nan 8.310 nan 0.000 0.521 249 Q N -0.355 119.421 119.800 -0.039 0.000 2.379 249 Q HA 0.456 4.797 4.340 0.002 0.000 0.278 249 Q C 0.017 175.933 176.000 -0.141 0.000 1.068 249 Q CA -0.513 55.230 55.803 -0.099 0.000 0.816 249 Q CB 2.030 30.739 28.738 -0.048 0.000 1.387 249 Q HN 0.121 nan 8.270 nan 0.000 0.413 250 L N 0.270 121.385 121.223 -0.179 0.000 2.131 250 L HA -0.009 4.332 4.340 0.002 0.000 0.210 250 L C 0.472 177.207 176.870 -0.225 0.000 1.092 250 L CA 0.979 55.714 54.840 -0.174 0.000 0.759 250 L CB 0.086 42.029 42.059 -0.195 0.000 0.903 250 L HN 0.259 nan 8.230 nan 0.000 0.435 251 V N 0.824 120.527 119.914 -0.351 0.000 2.444 251 V HA 0.487 4.608 4.120 0.002 0.000 0.294 251 V C -0.301 175.235 176.094 -0.931 0.000 1.022 251 V CA -0.657 61.277 62.300 -0.610 0.000 0.850 251 V CB 1.819 33.208 31.823 -0.724 0.000 0.992 251 V HN 0.161 nan 8.190 nan 0.000 0.426 252 R N 2.927 123.007 120.500 -0.700 0.000 2.566 252 R HA 0.439 4.780 4.340 0.002 0.000 0.271 252 R C -1.769 174.335 176.300 -0.327 0.000 1.071 252 R CA -0.755 55.044 56.100 -0.503 0.000 0.915 252 R CB 2.357 32.550 30.300 -0.178 0.000 1.228 252 R HN 0.567 nan 8.270 nan 0.000 0.449 253 Y N 0.611 120.875 120.300 -0.060 0.000 2.309 253 Y HA 0.378 4.929 4.550 0.002 0.000 0.327 253 Y C 1.108 176.970 175.900 -0.063 0.000 1.172 253 Y CA -0.482 57.606 58.100 -0.019 0.000 1.280 253 Y CB 0.758 39.260 38.460 0.070 0.000 1.234 253 Y HN 0.634 nan 8.280 nan 0.000 0.512 254 A N 1.697 124.551 122.820 0.056 0.000 2.425 254 A HA 0.555 4.877 4.320 0.002 0.000 0.242 254 A C 0.604 177.940 177.584 -0.413 0.000 1.077 254 A CA 0.248 52.154 52.037 -0.219 0.000 0.781 254 A CB -0.228 18.600 19.000 -0.287 0.000 1.020 254 A HN 0.937 nan 8.150 nan 0.000 0.494 255 G N 0.476 109.005 108.800 -0.453 0.000 2.605 255 G HA2 0.555 4.516 3.960 0.002 0.000 0.304 255 G HA3 0.555 4.516 3.960 0.002 0.000 0.304 255 G C -1.114 173.578 174.900 -0.347 0.000 1.333 255 G CA -0.268 44.618 45.100 -0.356 0.000 0.973 255 G HN 0.554 nan 8.290 nan 0.000 0.507 256 Y N 1.539 121.842 120.300 0.006 0.000 2.331 256 Y HA 0.466 5.017 4.550 0.002 0.000 0.338 256 Y C 0.876 176.770 175.900 -0.010 0.000 0.976 256 Y CA -1.045 57.062 58.100 0.011 0.000 1.137 256 Y CB 1.721 40.186 38.460 0.009 0.000 1.172 256 Y HN 0.400 nan 8.280 nan 0.000 0.478 257 R N 3.411 123.994 120.500 0.138 0.000 2.347 257 R HA 0.195 4.537 4.340 0.002 0.000 0.304 257 R C -0.415 175.926 176.300 0.069 0.000 1.072 257 R CA 0.134 56.278 56.100 0.073 0.000 0.980 257 R CB 0.586 30.915 30.300 0.048 0.000 0.986 257 R HN 0.836 nan 8.270 nan 0.000 0.448 258 Q N 1.393 121.220 119.800 0.044 0.000 3.184 258 Q HA 0.079 4.421 4.340 0.002 0.000 0.236 258 Q C 0.991 176.997 176.000 0.010 0.000 1.038 258 Q CA -0.740 55.076 55.803 0.023 0.000 0.857 258 Q CB 0.699 29.448 28.738 0.018 0.000 1.957 258 Q HN 0.701 nan 8.270 nan 0.000 0.453 259 Q N 0.822 120.622 119.800 0.000 0.000 2.175 259 Q HA -0.327 4.014 4.340 0.002 0.000 0.234 259 Q C 0.306 176.307 176.000 0.001 0.000 1.081 259 Q CA 2.163 57.964 55.803 -0.003 0.000 0.940 259 Q CB -1.092 27.643 28.738 -0.005 0.000 1.032 259 Q HN 0.701 nan 8.270 nan 0.000 0.478 260 D N -0.871 119.530 120.400 0.003 0.000 2.481 260 D HA 0.178 4.820 4.640 0.002 0.000 0.283 260 D C 1.518 177.823 176.300 0.008 0.000 1.192 260 D CA 0.107 54.109 54.000 0.004 0.000 1.100 260 D CB -0.336 40.466 40.800 0.003 0.000 1.166 260 D HN 0.356 nan 8.370 nan 0.000 0.584 261 G N -0.345 108.460 108.800 0.008 0.000 2.535 261 G HA2 -0.151 3.810 3.960 0.002 0.000 0.218 261 G HA3 -0.151 3.810 3.960 0.002 0.000 0.218 261 G C 0.912 175.818 174.900 0.010 0.000 1.122 261 G CA 0.737 45.843 45.100 0.010 0.000 0.769 261 G HN 0.489 nan 8.290 nan 0.000 0.549 262 S N -1.015 114.690 115.700 0.009 0.000 2.550 262 S HA 0.206 4.677 4.470 0.002 0.000 0.285 262 S C -0.168 174.436 174.600 0.007 0.000 1.326 262 S CA -0.048 58.156 58.200 0.006 0.000 1.037 262 S CB 0.637 63.840 63.200 0.006 0.000 0.838 262 S HN 0.185 nan 8.310 nan 0.000 0.519 263 V N 5.271 125.182 119.914 -0.005 0.000 2.668 263 V HA 0.447 4.568 4.120 0.002 0.000 0.304 263 V C -0.032 176.041 176.094 -0.036 0.000 1.071 263 V CA -0.791 61.502 62.300 -0.013 0.000 0.894 263 V CB 1.739 33.540 31.823 -0.037 0.000 1.008 263 V HN 0.896 nan 8.190 nan 0.000 0.425 264 R N 2.768 123.275 120.500 0.012 0.000 2.265 264 R HA 0.669 5.010 4.340 0.002 0.000 0.319 264 R C 0.736 176.992 176.300 -0.073 0.000 1.006 264 R CA 0.978 57.086 56.100 0.013 0.000 0.880 264 R CB 1.113 31.493 30.300 0.134 0.000 1.077 264 R HN 1.209 nan 8.270 nan 0.000 0.454 265 G N 3.155 111.815 108.800 -0.233 0.000 2.516 265 G HA2 -0.257 3.705 3.960 0.002 0.000 0.220 265 G HA3 -0.257 3.705 3.960 0.002 0.000 0.220 265 G C -1.188 173.279 174.900 -0.722 0.000 1.165 265 G CA -0.014 44.850 45.100 -0.394 0.000 1.013 265 G HN 0.615 nan 8.290 nan 0.000 0.590 266 D N 1.866 122.009 120.400 -0.429 0.000 2.443 266 D HA 0.593 5.234 4.640 0.002 0.000 0.221 266 D C -1.104 175.101 176.300 -0.158 0.000 1.097 266 D CA -2.016 51.794 54.000 -0.318 0.000 0.865 266 D CB 1.446 42.368 40.800 0.204 0.000 1.034 266 D HN -0.016 nan 8.370 nan 0.000 0.511 267 P HA -0.129 nan 4.420 nan 0.000 0.218 267 P C 0.935 178.235 177.300 -0.001 0.000 1.146 267 P CA 1.025 64.083 63.100 -0.070 0.000 0.813 267 P CB 0.305 31.974 31.700 -0.053 0.000 0.778 268 A N -0.528 122.311 122.820 0.032 0.000 2.015 268 A HA -0.124 4.197 4.320 0.002 0.000 0.219 268 A C 1.681 179.305 177.584 0.067 0.000 1.163 268 A CA 1.334 53.417 52.037 0.077 0.000 0.646 268 A CB -0.858 18.209 19.000 0.111 0.000 0.806 268 A HN 0.162 nan 8.150 nan 0.000 0.448 269 N N -0.200 118.524 118.700 0.040 0.000 2.251 269 N HA 0.059 4.801 4.740 0.002 0.000 0.217 269 N C 1.232 176.722 175.510 -0.033 0.000 1.124 269 N CA 0.471 53.529 53.050 0.014 0.000 0.843 269 N CB 0.576 39.070 38.487 0.012 0.000 1.024 269 N HN 0.251 nan 8.380 nan 0.000 0.501 270 V N 1.293 121.190 119.914 -0.028 0.000 2.252 270 V HA -0.296 3.826 4.120 0.002 0.000 0.249 270 V C 2.302 178.373 176.094 -0.039 0.000 1.056 270 V CA 2.210 64.488 62.300 -0.037 0.000 1.022 270 V CB -0.117 31.698 31.823 -0.014 0.000 0.641 270 V HN 0.322 nan 8.190 nan 0.000 0.445 271 E N -0.733 119.440 120.200 -0.046 0.000 2.038 271 E HA -0.276 4.075 4.350 0.002 0.000 0.195 271 E C 2.104 178.587 176.600 -0.196 0.000 1.000 271 E CA 2.144 58.475 56.400 -0.115 0.000 0.803 271 E CB -0.345 29.290 29.700 -0.108 0.000 0.750 271 E HN 0.626 nan 8.360 nan 0.000 0.448 272 I N 0.792 121.260 120.570 -0.170 0.000 2.361 272 I HA -0.224 3.947 4.170 0.002 0.000 0.251 272 I C 2.085 178.145 176.117 -0.095 0.000 1.133 272 I CA 1.531 62.731 61.300 -0.167 0.000 1.413 272 I CB -0.340 37.627 38.000 -0.056 0.000 1.073 272 I HN 0.123 nan 8.210 nan 0.000 0.424 273 T N 0.108 114.623 114.554 -0.065 0.000 2.746 273 T HA -0.182 4.170 4.350 0.002 0.000 0.267 273 T C 1.773 176.537 174.700 0.106 0.000 1.039 273 T CA 1.750 63.849 62.100 -0.002 0.000 1.142 273 T CB -0.238 68.612 68.868 -0.029 0.000 0.866 273 T HN 0.460 nan 8.240 nan 0.000 0.444 274 E N 0.498 120.730 120.200 0.054 0.000 2.106 274 E HA -0.014 4.337 4.350 0.002 0.000 0.192 274 E C 2.134 178.774 176.600 0.067 0.000 0.984 274 E CA 0.671 57.114 56.400 0.073 0.000 0.806 274 E CB -0.201 29.511 29.700 0.019 0.000 0.750 274 E HN 0.403 nan 8.360 nan 0.000 0.458 275 L N 0.066 121.296 121.223 0.011 0.000 2.201 275 L HA -0.180 4.161 4.340 0.002 0.000 0.212 275 L C 2.335 179.323 176.870 0.197 0.000 1.105 275 L CA 0.475 55.368 54.840 0.088 0.000 0.775 275 L CB -0.120 41.942 42.059 0.005 0.000 0.913 275 L HN 0.312 nan 8.230 nan 0.000 0.440 276 C N -0.363 119.007 119.300 0.116 0.000 2.457 276 C HA -0.062 4.399 4.460 0.002 0.000 0.278 276 C C 2.622 177.793 174.990 0.301 0.000 1.309 276 C CA 0.284 59.367 59.018 0.110 0.000 1.735 276 C CB -0.433 27.236 27.740 -0.118 0.000 1.992 276 C HN 0.429 nan 8.230 nan 0.000 0.493 277 I N 0.652 121.431 120.570 0.348 0.000 2.546 277 I HA -0.206 3.965 4.170 0.002 0.000 0.255 277 I C 2.679 178.885 176.117 0.149 0.000 1.163 277 I CA 1.245 62.726 61.300 0.300 0.000 1.457 277 I CB -0.522 37.619 38.000 0.235 0.000 1.092 277 I HN 0.465 nan 8.210 nan 0.000 0.434 278 Q N 0.656 120.526 119.800 0.116 0.000 2.172 278 Q HA -0.198 4.143 4.340 0.002 0.000 0.200 278 Q C 1.100 177.026 176.000 -0.123 0.000 0.964 278 Q CA 1.516 57.312 55.803 -0.012 0.000 0.855 278 Q CB 0.071 28.787 28.738 -0.035 0.000 0.918 278 Q HN 0.550 nan 8.270 nan 0.000 0.444 279 H N -0.609 118.465 119.070 0.007 0.000 2.568 279 H HA 0.375 4.932 4.556 0.002 0.000 0.302 279 H C 0.348 175.668 175.328 -0.014 0.000 1.065 279 H CA 0.368 56.394 56.048 -0.037 0.000 1.140 279 H CB 0.666 30.366 29.762 -0.102 0.000 1.474 279 H HN 0.511 nan 8.280 nan 0.000 0.545 280 G N -0.223 108.635 108.800 0.096 0.000 2.545 280 G HA2 -0.194 3.767 3.960 0.002 0.000 0.211 280 G HA3 -0.194 3.767 3.960 0.002 0.000 0.211 280 G C -1.344 173.678 174.900 0.203 0.000 1.167 280 G CA -0.498 44.658 45.100 0.093 0.000 1.151 280 G HN 0.439 nan 8.290 nan 0.000 0.581 281 W N 0.545 121.829 121.300 -0.027 0.000 3.079 281 W HA -0.041 4.620 4.660 0.002 0.000 0.450 281 W C 0.338 176.857 176.519 -0.000 0.000 1.859 281 W CA 0.664 58.002 57.345 -0.011 0.000 0.459 281 W CB -1.241 28.225 29.460 0.010 0.000 2.859 281 W HN 1.144 nan 8.180 nan 0.000 0.416 282 T N 8.937 123.160 114.554 -0.552 0.000 2.782 282 T HA 0.289 4.640 4.350 0.002 0.000 0.298 282 T C -1.475 172.538 174.700 -1.145 0.000 0.944 282 T CA -0.582 61.164 62.100 -0.590 0.000 1.001 282 T CB 0.471 69.136 68.868 -0.338 0.000 0.932 282 T HN 0.271 nan 8.240 nan 0.000 0.524 283 P HA 0.218 nan 4.420 nan 0.000 0.270 283 P C 0.458 177.344 177.300 -0.690 0.000 1.227 283 P CA -0.204 62.160 63.100 -1.228 0.000 0.788 283 P CB 0.742 32.082 31.700 -0.599 0.000 0.926 284 G N 0.499 109.055 108.800 -0.406 0.000 2.702 284 G HA2 0.428 4.389 3.960 0.002 0.000 0.254 284 G HA3 0.428 4.389 3.960 0.002 0.000 0.254 284 G C -0.261 174.401 174.900 -0.397 0.000 1.380 284 G CA -0.729 44.249 45.100 -0.203 0.000 1.042 284 G HN 0.682 nan 8.290 nan 0.000 0.557 285 N N -1.618 116.964 118.700 -0.197 0.000 2.545 285 N HA 0.344 5.085 4.740 0.002 0.000 0.283 285 N C 0.088 175.598 175.510 -0.000 0.000 1.596 285 N CA -0.077 52.830 53.050 -0.240 0.000 0.862 285 N CB 0.902 39.261 38.487 -0.213 0.000 1.422 285 N HN 0.701 nan 8.380 nan 0.000 0.489 286 G N -0.141 108.750 108.800 0.151 0.000 2.552 286 G HA2 0.395 4.356 3.960 0.002 0.000 0.324 286 G HA3 0.395 4.356 3.960 0.002 0.000 0.324 286 G C 0.353 175.342 174.900 0.148 0.000 1.217 286 G CA -0.916 44.276 45.100 0.152 0.000 0.989 286 G HN 0.152 nan 8.290 nan 0.000 0.490 287 R N -0.988 119.517 120.500 0.008 0.000 2.173 287 R HA 0.113 4.455 4.340 0.002 0.000 0.208 287 R C -0.007 175.911 176.300 -0.637 0.000 1.035 287 R CA 0.765 56.686 56.100 -0.299 0.000 1.004 287 R CB 0.135 30.171 30.300 -0.439 0.000 0.917 287 R HN 0.402 nan 8.270 nan 0.000 0.462 288 F N 1.263 121.143 119.950 -0.116 0.000 2.739 288 F HA 0.268 4.796 4.527 0.002 0.000 0.345 288 F C -0.595 175.056 175.800 -0.247 0.000 1.373 288 F CA -1.042 56.606 58.000 -0.587 0.000 1.160 288 F CB 0.501 39.012 39.000 -0.816 0.000 1.137 288 F HN -0.279 nan 8.300 nan 0.000 0.524 289 D N 1.535 122.035 120.400 0.167 0.000 2.295 289 D HA 0.174 4.815 4.640 0.002 0.000 0.248 289 D C 0.166 176.702 176.300 0.394 0.000 1.154 289 D CA 0.045 54.236 54.000 0.318 0.000 0.857 289 D CB 2.327 43.376 40.800 0.416 0.000 1.117 289 D HN -0.058 nan 8.370 nan 0.000 0.468 290 V N 4.110 124.241 119.914 0.362 0.000 2.485 290 V HA -0.070 4.051 4.120 0.002 0.000 0.287 290 V C 0.839 176.972 176.094 0.064 0.000 1.022 290 V CA -0.414 62.004 62.300 0.196 0.000 1.067 290 V CB 0.280 32.173 31.823 0.117 0.000 0.967 290 V HN 0.341 nan 8.190 nan 0.000 0.479 291 L N 8.851 130.019 121.223 -0.092 0.000 2.473 291 L HA 0.310 4.651 4.340 0.002 0.000 0.268 291 L C -1.377 175.276 176.870 -0.362 0.000 1.215 291 L CA -1.197 53.448 54.840 -0.324 0.000 0.823 291 L CB 0.170 42.049 42.059 -0.300 0.000 1.099 291 L HN 0.490 nan 8.230 nan 0.000 0.483 292 P HA 0.294 nan 4.420 nan 0.000 0.281 292 P C -0.942 176.211 177.300 -0.246 0.000 1.281 292 P CA -0.685 62.166 63.100 -0.414 0.000 0.811 292 P CB 1.265 32.555 31.700 -0.684 0.000 1.154 293 L N 0.608 121.787 121.223 -0.072 0.000 2.309 293 L HA 0.406 4.747 4.340 0.002 0.000 0.282 293 L C 0.317 177.199 176.870 0.021 0.000 1.036 293 L CA -0.795 54.055 54.840 0.016 0.000 0.806 293 L CB 0.915 43.061 42.059 0.145 0.000 1.220 293 L HN 0.203 nan 8.230 nan 0.000 0.429 294 L N 5.330 126.548 121.223 -0.009 0.000 2.335 294 L HA 0.431 4.772 4.340 0.002 0.000 0.268 294 L C -0.610 176.196 176.870 -0.107 0.000 1.037 294 L CA -0.292 54.468 54.840 -0.134 0.000 0.895 294 L CB 0.821 42.738 42.059 -0.236 0.000 1.266 294 L HN 0.459 nan 8.230 nan 0.000 0.439 295 L N 3.215 124.437 121.223 -0.001 0.000 2.334 295 L HA 0.454 4.795 4.340 0.002 0.000 0.277 295 L C -0.065 176.747 176.870 -0.097 0.000 1.075 295 L CA -0.226 54.611 54.840 -0.005 0.000 0.804 295 L CB 1.551 43.623 42.059 0.021 0.000 1.174 295 L HN 0.554 nan 8.230 nan 0.000 0.438 296 Q N 2.440 122.191 119.800 -0.080 0.000 2.304 296 Q HA 0.669 5.011 4.340 0.002 0.000 0.270 296 Q C -1.392 174.549 176.000 -0.099 0.000 1.035 296 Q CA -0.609 55.132 55.803 -0.102 0.000 0.781 296 Q CB 2.225 30.937 28.738 -0.043 0.000 1.261 296 Q HN 0.770 nan 8.270 nan 0.000 0.444 297 A N 4.728 127.442 122.820 -0.177 0.000 2.279 297 A HA 0.706 5.027 4.320 0.002 0.000 0.303 297 A C -2.451 174.875 177.584 -0.429 0.000 1.108 297 A CA -1.715 50.070 52.037 -0.419 0.000 0.830 297 A CB 0.241 19.074 19.000 -0.279 0.000 1.106 297 A HN 0.651 nan 8.150 nan 0.000 0.493 298 P HA -0.026 nan 4.420 nan 0.000 0.261 298 P C -0.594 176.597 177.300 -0.182 0.000 1.165 298 P CA 0.859 63.737 63.100 -0.370 0.000 0.759 298 P CB 0.108 31.572 31.700 -0.394 0.000 0.772 299 D N 0.361 120.704 120.400 -0.095 0.000 2.733 299 D HA -0.197 4.444 4.640 0.002 0.000 0.232 299 D C 0.018 176.296 176.300 -0.037 0.000 1.161 299 D CA 1.386 55.361 54.000 -0.042 0.000 0.653 299 D CB -0.432 40.348 40.800 -0.034 0.000 1.052 299 D HN 0.447 nan 8.370 nan 0.000 0.424 300 E N -0.991 119.181 120.200 -0.047 0.000 2.393 300 E HA 0.664 5.015 4.350 0.002 0.000 0.273 300 E C -0.155 176.424 176.600 -0.036 0.000 0.918 300 E CA -0.796 55.579 56.400 -0.042 0.000 0.773 300 E CB 1.657 31.316 29.700 -0.068 0.000 1.275 300 E HN 0.099 nan 8.360 nan 0.000 0.451 301 A N 2.732 125.532 122.820 -0.034 0.000 2.445 301 A HA 0.411 4.733 4.320 0.002 0.000 0.242 301 A C -1.977 175.500 177.584 -0.179 0.000 1.075 301 A CA -0.803 51.201 52.037 -0.055 0.000 0.777 301 A CB -0.497 18.503 19.000 0.000 0.000 1.013 301 A HN 0.282 nan 8.150 nan 0.000 0.493 302 P HA 0.214 nan 4.420 nan 0.000 0.272 302 P C -0.677 176.371 177.300 -0.421 0.000 1.223 302 P CA 0.048 62.802 63.100 -0.576 0.000 0.784 302 P CB 0.787 31.701 31.700 -1.310 0.000 0.923 303 E N 0.623 120.658 120.200 -0.276 0.000 2.195 303 E HA 0.450 4.801 4.350 0.002 0.000 0.271 303 E C -0.695 175.691 176.600 -0.357 0.000 0.923 303 E CA -1.097 55.127 56.400 -0.293 0.000 0.790 303 E CB 1.939 31.503 29.700 -0.226 0.000 1.155 303 E HN 0.386 nan 8.360 nan 0.000 0.402 304 L N 3.471 124.396 121.223 -0.498 0.000 2.275 304 L HA 0.511 4.853 4.340 0.002 0.000 0.288 304 L C -1.582 174.881 176.870 -0.679 0.000 1.046 304 L CA -0.371 54.229 54.840 -0.400 0.000 0.805 304 L CB 0.183 42.099 42.059 -0.238 0.000 1.193 304 L HN 0.461 nan 8.230 nan 0.000 0.426 305 F N 3.833 123.634 119.950 -0.249 0.000 2.563 305 F HA 0.558 5.086 4.527 0.002 0.000 0.316 305 F C -0.212 175.437 175.800 -0.252 0.000 1.076 305 F CA -0.842 56.906 58.000 -0.421 0.000 0.921 305 F CB 2.191 40.716 39.000 -0.791 0.000 1.209 305 F HN 0.241 nan 8.300 nan 0.000 0.462 306 V N 1.222 121.102 119.914 -0.057 0.000 2.417 306 V HA 0.584 4.705 4.120 0.002 0.000 0.291 306 V C -0.461 175.770 176.094 0.230 0.000 1.024 306 V CA -1.024 61.322 62.300 0.077 0.000 0.861 306 V CB 1.188 33.061 31.823 0.082 0.000 0.985 306 V HN 0.648 nan 8.190 nan 0.000 0.436 307 L N 5.717 127.095 121.223 0.258 0.000 2.410 307 L HA 0.340 4.681 4.340 0.002 0.000 0.273 307 L C -2.049 174.931 176.870 0.183 0.000 1.152 307 L CA -1.255 53.744 54.840 0.265 0.000 0.855 307 L CB 0.506 42.643 42.059 0.130 0.000 1.129 307 L HN 0.446 nan 8.230 nan 0.000 0.463 308 P HA 0.062 nan 4.420 nan 0.000 0.264 308 P C -1.976 175.377 177.300 0.087 0.000 1.229 308 P CA -0.904 62.271 63.100 0.124 0.000 0.780 308 P CB 0.421 32.188 31.700 0.111 0.000 0.808 309 P HA -0.259 nan 4.420 nan 0.000 0.218 309 P C 1.324 178.658 177.300 0.057 0.000 1.150 309 P CA 1.410 64.555 63.100 0.074 0.000 0.841 309 P CB -0.122 31.625 31.700 0.078 0.000 0.784 310 E N -0.856 119.374 120.200 0.050 0.000 2.347 310 E HA -0.114 4.237 4.350 0.002 0.000 0.196 310 E C 1.734 178.353 176.600 0.032 0.000 1.008 310 E CA 0.785 57.208 56.400 0.037 0.000 0.852 310 E CB -1.032 28.688 29.700 0.033 0.000 0.783 310 E HN 0.255 nan 8.360 nan 0.000 0.505 311 L N 0.945 122.188 121.223 0.035 0.000 2.249 311 L HA 0.053 4.394 4.340 0.002 0.000 0.207 311 L C 0.801 177.687 176.870 0.026 0.000 1.090 311 L CA 0.589 55.442 54.840 0.023 0.000 0.802 311 L CB 0.389 42.455 42.059 0.012 0.000 0.947 311 L HN -0.150 nan 8.230 nan 0.000 0.453 312 V N 2.102 122.036 119.914 0.034 0.000 2.313 312 V HA 0.122 4.243 4.120 0.002 0.000 0.252 312 V C 0.122 176.249 176.094 0.055 0.000 1.112 312 V CA -0.680 61.641 62.300 0.035 0.000 0.984 312 V CB 0.287 32.127 31.823 0.027 0.000 1.157 312 V HN 0.077 nan 8.190 nan 0.000 0.493 313 L N 5.571 126.831 121.223 0.060 0.000 2.416 313 L HA 0.377 4.719 4.340 0.002 0.000 0.272 313 L C 0.221 177.136 176.870 0.074 0.000 1.161 313 L CA 0.827 55.699 54.840 0.054 0.000 0.845 313 L CB 0.319 42.406 42.059 0.048 0.000 1.119 313 L HN 0.659 nan 8.230 nan 0.000 0.464 314 E N 3.223 123.444 120.200 0.036 0.000 2.369 314 E HA 0.580 4.932 4.350 0.002 0.000 0.270 314 E C -1.526 175.026 176.600 -0.079 0.000 0.909 314 E CA -1.017 55.402 56.400 0.032 0.000 0.775 314 E CB 2.434 32.181 29.700 0.078 0.000 1.270 314 E HN 0.352 nan 8.360 nan 0.000 0.445 315 V N 2.642 122.473 119.914 -0.139 0.000 2.376 315 V HA 0.291 4.413 4.120 0.002 0.000 0.287 315 V C -2.454 173.553 176.094 -0.143 0.000 1.015 315 V CA -1.983 60.164 62.300 -0.256 0.000 0.834 315 V CB 1.265 32.680 31.823 -0.679 0.000 1.001 315 V HN 0.512 nan 8.190 nan 0.000 0.428 316 P HA 0.237 nan 4.420 nan 0.000 0.271 316 P C -0.554 176.735 177.300 -0.018 0.000 1.220 316 P CA 0.028 63.086 63.100 -0.069 0.000 0.768 316 P CB 0.520 32.190 31.700 -0.052 0.000 0.848 317 L N 4.256 125.504 121.223 0.041 0.000 2.292 317 L HA 0.447 4.788 4.340 0.002 0.000 0.284 317 L C 0.946 177.969 176.870 0.255 0.000 1.065 317 L CA -0.123 54.809 54.840 0.154 0.000 0.806 317 L CB 0.501 42.717 42.059 0.262 0.000 1.175 317 L HN 0.471 nan 8.230 nan 0.000 0.431 318 E N 1.548 121.864 120.200 0.195 0.000 2.408 318 E HA 0.414 4.766 4.350 0.002 0.000 0.275 318 E C -1.314 175.286 176.600 0.000 0.000 0.935 318 E CA -0.979 55.547 56.400 0.209 0.000 0.775 318 E CB 2.242 32.036 29.700 0.158 0.000 1.277 318 E HN 0.430 nan 8.360 nan 0.000 0.455 319 H N 1.684 120.620 119.070 -0.224 0.000 2.463 319 H HA 0.220 4.777 4.556 0.002 0.000 0.332 319 H C -1.702 173.358 175.328 -0.446 0.000 1.127 319 H CA -2.279 53.499 56.048 -0.449 0.000 1.238 319 H CB 1.881 31.290 29.762 -0.588 0.000 1.478 319 H HN 0.419 nan 8.280 nan 0.000 0.499 320 P HA -0.122 nan 4.420 nan 0.000 0.219 320 P C 0.868 178.034 177.300 -0.223 0.000 1.146 320 P CA 1.728 64.365 63.100 -0.771 0.000 0.808 320 P CB 0.485 31.682 31.700 -0.838 0.000 0.779 321 T N -4.257 110.362 114.554 0.108 0.000 3.010 321 T HA 0.188 4.540 4.350 0.002 0.000 0.252 321 T C 1.025 175.677 174.700 -0.080 0.000 0.963 321 T CA -0.236 61.882 62.100 0.029 0.000 0.952 321 T CB -0.641 68.245 68.868 0.030 0.000 1.182 321 T HN -0.052 nan 8.240 nan 0.000 0.495 322 L N 4.247 125.312 121.223 -0.264 0.000 2.384 322 L HA 0.276 4.617 4.340 0.002 0.000 0.258 322 L C 2.065 178.600 176.870 -0.558 0.000 1.266 322 L CA -0.479 53.964 54.840 -0.662 0.000 1.162 322 L CB 0.174 41.483 42.059 -1.251 0.000 1.375 322 L HN 0.335 nan 8.230 nan 0.000 0.420 323 E N 2.977 123.017 120.200 -0.267 0.000 2.233 323 E HA -0.262 4.089 4.350 0.002 0.000 0.199 323 E C 1.592 178.172 176.600 -0.033 0.000 1.004 323 E CA 1.700 58.043 56.400 -0.095 0.000 0.819 323 E CB -0.365 29.342 29.700 0.011 0.000 0.738 323 E HN 0.809 nan 8.360 nan 0.000 0.478 324 W N -0.699 120.650 121.300 0.082 0.000 2.905 324 W HA 0.160 4.821 4.660 0.002 0.000 0.251 324 W C 1.618 178.188 176.519 0.086 0.000 1.305 324 W CA -0.247 57.137 57.345 0.064 0.000 1.465 324 W CB -1.204 28.273 29.460 0.028 0.000 1.122 324 W HN -0.107 nan 8.180 nan 0.000 0.659 325 F N 3.201 122.865 119.950 -0.475 0.000 2.126 325 F HA -0.162 4.366 4.527 0.002 0.000 0.299 325 F C 2.645 178.449 175.800 0.007 0.000 1.096 325 F CA 3.077 60.899 58.000 -0.297 0.000 1.255 325 F CB -0.515 38.225 39.000 -0.434 0.000 0.997 325 F HN -0.078 nan 8.300 nan 0.000 0.479 326 A N 0.173 123.116 122.820 0.205 0.000 1.978 326 A HA -0.146 4.176 4.320 0.002 0.000 0.220 326 A C 2.377 180.009 177.584 0.081 0.000 1.170 326 A CA 1.662 53.792 52.037 0.155 0.000 0.636 326 A CB -1.486 17.587 19.000 0.122 0.000 0.810 326 A HN 0.503 nan 8.150 nan 0.000 0.448 327 A N -0.047 122.835 122.820 0.103 0.000 1.908 327 A HA -0.112 4.209 4.320 0.002 0.000 0.218 327 A C 2.004 179.616 177.584 0.046 0.000 1.181 327 A CA 1.498 53.588 52.037 0.089 0.000 0.627 327 A CB -0.688 18.395 19.000 0.139 0.000 0.818 327 A HN 0.507 nan 8.150 nan 0.000 0.445 328 L N -0.652 120.572 121.223 0.001 0.000 2.456 328 L HA -0.145 4.197 4.340 0.002 0.000 0.225 328 L C 1.707 178.577 176.870 0.001 0.000 1.142 328 L CA 0.663 55.480 54.840 -0.040 0.000 0.796 328 L CB -0.894 41.033 42.059 -0.220 0.000 0.920 328 L HN 0.647 nan 8.230 nan 0.000 0.446 329 G N 0.597 109.393 108.800 -0.007 0.000 2.323 329 G HA2 -0.290 3.671 3.960 0.002 0.000 0.292 329 G HA3 -0.290 3.671 3.960 0.002 0.000 0.292 329 G C 0.052 174.883 174.900 -0.115 0.000 1.040 329 G CA 0.045 45.134 45.100 -0.019 0.000 0.942 329 G HN 0.284 nan 8.290 nan 0.000 0.506 330 L N -0.452 120.687 121.223 -0.140 0.000 2.379 330 L HA 0.872 5.213 4.340 0.002 0.000 0.269 330 L C 0.970 177.615 176.870 -0.375 0.000 1.084 330 L CA -0.927 53.747 54.840 -0.276 0.000 0.802 330 L CB 1.300 43.353 42.059 -0.009 0.000 1.175 330 L HN 0.593 nan 8.230 nan 0.000 0.448 331 R N 1.322 121.444 120.500 -0.630 0.000 2.712 331 R HA 0.464 4.805 4.340 0.002 0.000 0.272 331 R C -2.267 174.030 176.300 -0.006 0.000 1.032 331 R CA -0.983 54.928 56.100 -0.315 0.000 0.874 331 R CB 1.722 31.777 30.300 -0.409 0.000 1.256 331 R HN 0.668 nan 8.270 nan 0.000 0.468 332 W N 1.960 123.259 121.300 -0.002 0.000 3.118 332 W HA 0.391 5.052 4.660 0.002 0.000 0.328 332 W C -1.210 175.395 176.519 0.144 0.000 1.239 332 W CA -1.054 56.366 57.345 0.126 0.000 1.176 332 W CB 1.986 31.412 29.460 -0.057 0.000 1.433 332 W HN 0.682 nan 8.180 nan 0.000 0.562 333 Y N 1.082 121.267 120.300 -0.191 0.000 2.304 333 Y HA 0.529 5.081 4.550 0.002 0.000 0.327 333 Y C 0.869 177.013 175.900 0.407 0.000 1.209 333 Y CA 0.027 58.142 58.100 0.024 0.000 1.299 333 Y CB 0.340 38.679 38.460 -0.202 0.000 1.249 333 Y HN 0.365 nan 8.280 nan 0.000 0.519 334 A N 2.893 125.973 122.820 0.433 0.000 1.968 334 A HA -0.002 4.319 4.320 0.002 0.000 0.217 334 A C 0.587 178.493 177.584 0.537 0.000 1.169 334 A CA 0.526 52.871 52.037 0.515 0.000 0.638 334 A CB -0.352 18.804 19.000 0.260 0.000 0.812 334 A HN 0.720 nan 8.150 nan 0.000 0.446 335 L N 1.801 123.286 121.223 0.437 0.000 2.262 335 L HA 0.406 4.747 4.340 0.002 0.000 0.288 335 L C -2.525 174.465 176.870 0.200 0.000 1.035 335 L CA -2.156 52.848 54.840 0.273 0.000 0.820 335 L CB 1.605 43.771 42.059 0.178 0.000 1.204 335 L HN -0.032 nan 8.230 nan 0.000 0.424 336 P HA 0.260 nan 4.420 nan 0.000 0.288 336 P C -1.254 175.933 177.300 -0.187 0.000 1.363 336 P CA -0.289 62.614 63.100 -0.329 0.000 0.837 336 P CB 1.247 32.320 31.700 -1.044 0.000 0.981 337 A N 4.911 127.642 122.820 -0.149 0.000 2.664 337 A HA 0.380 4.701 4.320 0.002 0.000 0.338 337 A C 0.111 177.466 177.584 -0.382 0.000 1.280 337 A CA -0.663 51.216 52.037 -0.265 0.000 0.809 337 A CB 0.325 19.181 19.000 -0.240 0.000 1.114 337 A HN 0.316 nan 8.150 nan 0.000 0.479 338 V N 2.434 121.968 119.914 -0.633 0.000 2.617 338 V HA 0.149 4.270 4.120 0.002 0.000 0.304 338 V C 1.230 176.944 176.094 -0.632 0.000 1.040 338 V CA 1.424 63.309 62.300 -0.692 0.000 1.149 338 V CB 0.847 32.020 31.823 -1.084 0.000 0.914 338 V HN 1.062 nan 8.190 nan 0.000 0.487 339 S N 1.190 116.709 115.700 -0.302 0.000 2.960 339 S HA 0.074 4.545 4.470 0.002 0.000 0.256 339 S C 0.731 175.312 174.600 -0.031 0.000 1.017 339 S CA 0.029 58.137 58.200 -0.154 0.000 1.144 339 S CB -0.496 62.646 63.200 -0.097 0.000 1.109 339 S HN 0.918 nan 8.310 nan 0.000 0.638 340 N N 0.468 119.153 118.700 -0.024 0.000 2.220 340 N HA 0.287 5.028 4.740 0.002 0.000 0.195 340 N C 0.365 175.931 175.510 0.094 0.000 1.123 340 N CA -0.477 52.598 53.050 0.042 0.000 0.874 340 N CB 0.047 38.562 38.487 0.047 0.000 0.995 340 N HN 0.269 nan 8.380 nan 0.000 0.498 341 M N 1.323 120.996 119.600 0.121 0.000 2.359 341 M HA 0.298 4.779 4.480 0.002 0.000 0.322 341 M C -0.617 175.829 176.300 0.244 0.000 1.166 341 M CA -0.817 54.607 55.300 0.207 0.000 1.067 341 M CB 2.355 35.111 32.600 0.259 0.000 1.523 341 M HN 0.120 nan 8.290 nan 0.000 0.467 342 L N 3.144 124.495 121.223 0.213 0.000 2.295 342 L HA 0.486 4.827 4.340 0.002 0.000 0.285 342 L C -1.309 175.662 176.870 0.169 0.000 1.035 342 L CA -0.953 53.992 54.840 0.176 0.000 0.806 342 L CB 1.065 43.180 42.059 0.093 0.000 1.214 342 L HN 0.577 nan 8.230 nan 0.000 0.426 343 L N 5.494 126.806 121.223 0.148 0.000 2.255 343 L HA 0.424 4.766 4.340 0.002 0.000 0.289 343 L C -0.380 176.481 176.870 -0.015 0.000 1.046 343 L CA 0.254 55.053 54.840 -0.069 0.000 0.816 343 L CB 1.009 43.005 42.059 -0.105 0.000 1.197 343 L HN 0.623 nan 8.230 nan 0.000 0.427 344 E N 6.536 126.655 120.200 -0.135 0.000 2.156 344 E HA 0.394 4.745 4.350 0.002 0.000 0.279 344 E C -1.497 174.998 176.600 -0.176 0.000 0.965 344 E CA -0.390 55.951 56.400 -0.098 0.000 0.789 344 E CB 1.035 30.678 29.700 -0.095 0.000 1.098 344 E HN 0.737 nan 8.360 nan 0.000 0.397 345 I N 2.434 122.903 120.570 -0.168 0.000 2.499 345 I HA 0.247 4.418 4.170 0.002 0.000 0.288 345 I C 0.838 176.699 176.117 -0.428 0.000 1.048 345 I CA -0.794 60.264 61.300 -0.403 0.000 1.062 345 I CB 2.060 39.751 38.000 -0.516 0.000 1.238 345 I HN 0.779 nan 8.210 nan 0.000 0.426 346 G N 4.229 112.764 108.800 -0.441 0.000 2.416 346 G HA2 -0.128 3.833 3.960 0.002 0.000 0.301 346 G HA3 -0.128 3.833 3.960 0.002 0.000 0.301 346 G C 1.060 175.991 174.900 0.052 0.000 0.985 346 G CA 1.019 46.077 45.100 -0.070 0.000 0.934 346 G HN 1.537 nan 8.290 nan 0.000 0.513 347 G N -1.773 107.012 108.800 -0.025 0.000 2.336 347 G HA2 -0.259 3.702 3.960 0.002 0.000 0.233 347 G HA3 -0.259 3.702 3.960 0.002 0.000 0.233 347 G C 0.655 175.485 174.900 -0.116 0.000 1.053 347 G CA 0.372 45.459 45.100 -0.021 0.000 0.625 347 G HN 1.222 nan 8.290 nan 0.000 0.511 348 L N 0.949 122.051 121.223 -0.202 0.000 2.464 348 L HA 0.557 4.898 4.340 0.002 0.000 0.264 348 L C 0.443 177.142 176.870 -0.285 0.000 1.199 348 L CA 0.088 54.721 54.840 -0.343 0.000 0.818 348 L CB 0.626 42.408 42.059 -0.461 0.000 1.102 348 L HN 0.275 nan 8.230 nan 0.000 0.473 349 E N 1.623 121.566 120.200 -0.428 0.000 2.246 349 E HA 0.351 4.703 4.350 0.002 0.000 0.266 349 E C -1.560 174.768 176.600 -0.453 0.000 0.880 349 E CA -0.399 55.838 56.400 -0.272 0.000 0.762 349 E CB 1.845 31.449 29.700 -0.159 0.000 1.180 349 E HN 0.261 nan 8.360 nan 0.000 0.416 350 F N 2.126 122.031 119.950 -0.075 0.000 2.291 350 F HA 0.090 4.618 4.527 0.002 0.000 0.368 350 F C 1.657 177.478 175.800 0.035 0.000 1.085 350 F CA -0.463 57.520 58.000 -0.029 0.000 1.165 350 F CB 1.044 40.012 39.000 -0.053 0.000 1.429 350 F HN 0.462 nan 8.300 nan 0.000 0.503 351 S N 1.623 117.394 115.700 0.118 0.000 2.465 351 S HA 0.037 4.509 4.470 0.002 0.000 0.241 351 S C 0.800 175.513 174.600 0.188 0.000 1.000 351 S CA 0.543 58.821 58.200 0.129 0.000 0.964 351 S CB -0.071 63.189 63.200 0.099 0.000 0.763 351 S HN 0.510 nan 8.310 nan 0.000 0.512 352 A N 0.209 123.183 122.820 0.256 0.000 2.411 352 A HA 0.830 5.151 4.320 0.002 0.000 0.285 352 A C -0.285 177.527 177.584 0.380 0.000 1.129 352 A CA -0.173 52.047 52.037 0.304 0.000 0.736 352 A CB 1.221 20.400 19.000 0.298 0.000 1.186 352 A HN 1.192 nan 8.150 nan 0.000 0.445 353 A N 4.128 127.128 122.820 0.300 0.000 3.044 353 A HA 0.626 4.947 4.320 0.002 0.000 0.289 353 A C -3.117 174.592 177.584 0.208 0.000 1.236 353 A CA -0.847 51.325 52.037 0.225 0.000 0.871 353 A CB 0.442 19.568 19.000 0.210 0.000 1.424 353 A HN 0.520 nan 8.150 nan 0.000 0.564 354 P HA 0.419 nan 4.420 nan 0.000 0.267 354 P C -0.698 176.605 177.300 0.006 0.000 1.205 354 P CA 0.441 63.495 63.100 -0.078 0.000 0.765 354 P CB 0.226 31.842 31.700 -0.141 0.000 0.828 355 F N 0.178 120.086 119.950 -0.070 0.000 2.611 355 F HA 0.819 5.347 4.527 0.002 0.000 0.324 355 F C -0.629 175.109 175.800 -0.103 0.000 1.061 355 F CA -1.319 56.652 58.000 -0.048 0.000 0.954 355 F CB 1.623 40.482 39.000 -0.235 0.000 1.301 355 F HN 0.416 nan 8.300 nan 0.000 0.482 356 S N -0.247 115.593 115.700 0.233 0.000 2.535 356 S HA 0.812 5.283 4.470 0.002 0.000 0.272 356 S C -0.744 173.864 174.600 0.014 0.000 1.149 356 S CA -0.193 58.063 58.200 0.094 0.000 0.888 356 S CB 1.242 64.538 63.200 0.159 0.000 1.110 356 S HN 1.434 nan 8.310 nan 0.000 0.463 357 G N 0.590 109.333 108.800 -0.095 0.000 2.844 357 G HA2 0.749 4.711 3.960 0.002 0.000 0.204 357 G HA3 0.749 4.711 3.960 0.002 0.000 0.204 357 G C -1.043 173.907 174.900 0.083 0.000 1.815 357 G CA -0.053 44.923 45.100 -0.205 0.000 0.739 357 G HN 1.303 nan 8.290 nan 0.000 0.807 358 W N -1.794 119.503 121.300 -0.004 0.000 3.153 358 W HA 0.753 5.414 4.660 0.002 0.000 0.316 358 W C -1.938 174.570 176.519 -0.018 0.000 1.255 358 W CA -2.147 55.200 57.345 0.003 0.000 1.192 358 W CB 0.270 29.776 29.460 0.076 0.000 1.400 358 W HN 0.341 nan 8.180 nan 0.000 0.568 359 Y N 2.861 123.337 120.300 0.293 0.000 2.397 359 Y HA 0.341 4.892 4.550 0.002 0.000 0.335 359 Y C 0.908 176.856 175.900 0.079 0.000 1.213 359 Y CA -0.624 57.528 58.100 0.087 0.000 1.391 359 Y CB 1.136 39.548 38.460 -0.079 0.000 1.293 359 Y HN 0.493 nan 8.280 nan 0.000 0.557 360 M N 2.039 121.783 119.600 0.239 0.000 2.180 360 M HA 0.220 4.701 4.480 0.002 0.000 0.350 360 M C 0.995 177.282 176.300 -0.021 0.000 1.125 360 M CA -0.287 55.081 55.300 0.113 0.000 1.031 360 M CB 1.163 33.811 32.600 0.081 0.000 1.623 360 M HN 0.812 nan 8.290 nan 0.000 0.451 361 S N 1.313 116.963 115.700 -0.084 0.000 2.413 361 S HA -0.213 4.258 4.470 0.002 0.000 0.237 361 S C 1.418 175.888 174.600 -0.217 0.000 1.044 361 S CA 2.240 60.325 58.200 -0.193 0.000 1.024 361 S CB -1.479 61.652 63.200 -0.116 0.000 0.829 361 S HN 0.929 nan 8.310 nan 0.000 0.475 362 T N -0.165 114.288 114.554 -0.167 0.000 2.962 362 T HA 0.046 4.397 4.350 0.002 0.000 0.270 362 T C 1.524 176.064 174.700 -0.266 0.000 1.088 362 T CA 1.053 63.006 62.100 -0.246 0.000 1.127 362 T CB -0.473 68.215 68.868 -0.300 0.000 0.883 362 T HN 0.577 nan 8.240 nan 0.000 0.493 363 E N 0.810 120.863 120.200 -0.246 0.000 2.077 363 E HA -0.027 4.324 4.350 0.002 0.000 0.193 363 E C 1.950 178.261 176.600 -0.481 0.000 0.989 363 E CA 1.244 57.489 56.400 -0.258 0.000 0.800 363 E CB -0.216 29.443 29.700 -0.067 0.000 0.746 363 E HN 0.592 nan 8.360 nan 0.000 0.452 364 I N -0.171 119.996 120.570 -0.672 0.000 2.512 364 I HA -0.024 4.147 4.170 0.002 0.000 0.247 364 I C 2.544 178.323 176.117 -0.564 0.000 1.094 364 I CA 0.725 61.479 61.300 -0.909 0.000 1.427 364 I CB -0.401 36.978 38.000 -1.035 0.000 1.149 364 I HN 0.093 nan 8.210 nan 0.000 0.438 365 G N 0.439 109.007 108.800 -0.387 0.000 2.418 365 G HA2 -0.188 3.773 3.960 0.002 0.000 0.217 365 G HA3 -0.188 3.773 3.960 0.002 0.000 0.217 365 G C 1.623 176.407 174.900 -0.194 0.000 1.158 365 G CA 1.672 46.631 45.100 -0.236 0.000 0.771 365 G HN 0.298 nan 8.290 nan 0.000 0.545 366 T N -0.162 114.255 114.554 -0.228 0.000 2.988 366 T HA 0.111 4.462 4.350 0.002 0.000 0.240 366 T C 2.527 177.117 174.700 -0.184 0.000 1.014 366 T CA 0.275 62.261 62.100 -0.190 0.000 1.155 366 T CB 0.086 68.824 68.868 -0.216 0.000 0.872 366 T HN 0.017 nan 8.240 nan 0.000 0.440 367 R N 1.935 122.302 120.500 -0.222 0.000 2.052 367 R HA 0.176 4.517 4.340 0.002 0.000 0.226 367 R C 2.177 178.357 176.300 -0.201 0.000 1.145 367 R CA 0.954 56.932 56.100 -0.202 0.000 0.952 367 R CB -1.126 29.052 30.300 -0.204 0.000 0.847 367 R HN 0.303 nan 8.270 nan 0.000 0.431 368 N N 0.983 119.511 118.700 -0.287 0.000 2.120 368 N HA -0.088 4.653 4.740 0.002 0.000 0.188 368 N C 1.904 177.338 175.510 -0.126 0.000 1.024 368 N CA 1.083 53.960 53.050 -0.288 0.000 0.852 368 N CB -0.118 37.868 38.487 -0.835 0.000 1.003 368 N HN 0.198 nan 8.380 nan 0.000 0.424 369 L N -0.953 120.160 121.223 -0.182 0.000 2.408 369 L HA 0.104 4.445 4.340 0.002 0.000 0.215 369 L C 1.346 178.249 176.870 0.054 0.000 1.081 369 L CA 0.332 55.161 54.840 -0.018 0.000 0.840 369 L CB 0.270 42.295 42.059 -0.057 0.000 1.002 369 L HN 0.138 nan 8.230 nan 0.000 0.468 370 C N -1.346 117.945 119.300 -0.015 0.000 3.065 370 C HA 0.165 4.626 4.460 0.002 0.000 0.285 370 C C 0.715 175.699 174.990 -0.011 0.000 1.257 370 C CA -0.900 58.122 59.018 0.006 0.000 1.691 370 C CB -0.386 27.341 27.740 -0.022 0.000 2.089 370 C HN 0.294 nan 8.230 nan 0.000 0.630 371 D N 2.933 123.297 120.400 -0.060 0.000 2.472 371 D HA 0.044 4.685 4.640 0.002 0.000 0.237 371 D C -1.036 175.254 176.300 -0.017 0.000 1.141 371 D CA -1.280 52.664 54.000 -0.093 0.000 0.875 371 D CB 0.703 41.303 40.800 -0.332 0.000 1.192 371 D HN 0.197 nan 8.370 nan 0.000 0.450 372 P HA -0.147 nan 4.420 nan 0.000 0.220 372 P C 0.603 177.997 177.300 0.157 0.000 1.148 372 P CA 1.244 64.424 63.100 0.132 0.000 0.803 372 P CB 0.034 31.821 31.700 0.146 0.000 0.782 373 H N -2.147 116.936 119.070 0.020 0.000 2.537 373 H HA 0.389 4.946 4.556 0.002 0.000 0.295 373 H C 0.833 176.173 175.328 0.019 0.000 1.054 373 H CA -0.383 55.674 56.048 0.015 0.000 1.156 373 H CB -0.051 29.719 29.762 0.012 0.000 1.468 373 H HN -0.040 nan 8.280 nan 0.000 0.551 374 R N -0.345 120.073 120.500 -0.137 0.000 3.096 374 R HA 0.181 4.522 4.340 0.002 0.000 0.138 374 R C 0.933 177.223 176.300 -0.018 0.000 1.088 374 R CA -0.777 55.275 56.100 -0.081 0.000 0.652 374 R CB -0.782 29.475 30.300 -0.072 0.000 1.179 374 R HN 0.072 nan 8.270 nan 0.000 0.404 375 Y N 1.764 122.079 120.300 0.025 0.000 2.403 375 Y HA -0.142 4.409 4.550 0.002 0.000 0.291 375 Y C 0.819 176.750 175.900 0.051 0.000 1.143 375 Y CA 1.289 59.423 58.100 0.056 0.000 1.257 375 Y CB -0.375 38.158 38.460 0.122 0.000 0.984 375 Y HN 0.496 nan 8.280 nan 0.000 0.550 376 N N 0.703 119.497 118.700 0.158 0.000 2.698 376 N HA -0.238 4.503 4.740 0.002 0.000 0.258 376 N C 0.329 175.927 175.510 0.147 0.000 0.978 376 N CA 0.866 53.988 53.050 0.121 0.000 0.777 376 N CB -1.354 37.185 38.487 0.087 0.000 0.907 376 N HN 0.674 nan 8.380 nan 0.000 0.543 377 I N -3.422 117.252 120.570 0.173 0.000 3.810 377 I HA 0.093 4.264 4.170 0.002 0.000 0.322 377 I C 1.414 177.640 176.117 0.181 0.000 1.288 377 I CA -0.442 60.962 61.300 0.173 0.000 1.143 377 I CB -0.075 38.037 38.000 0.187 0.000 1.012 377 I HN 0.057 nan 8.210 nan 0.000 0.423 378 L N 1.648 122.984 121.223 0.189 0.000 2.012 378 L HA -0.195 4.146 4.340 0.002 0.000 0.210 378 L C 2.543 179.639 176.870 0.377 0.000 1.073 378 L CA 2.042 57.029 54.840 0.245 0.000 0.748 378 L CB -0.895 41.275 42.059 0.186 0.000 0.891 378 L HN 0.481 nan 8.230 nan 0.000 0.431 379 E N -1.190 119.220 120.200 0.350 0.000 2.106 379 E HA -0.206 4.145 4.350 0.002 0.000 0.192 379 E C 1.723 178.379 176.600 0.094 0.000 0.984 379 E CA 0.998 57.529 56.400 0.220 0.000 0.806 379 E CB 0.094 29.846 29.700 0.088 0.000 0.750 379 E HN 0.490 nan 8.360 nan 0.000 0.458 380 D N 0.088 120.549 120.400 0.102 0.000 2.087 380 D HA -0.166 4.476 4.640 0.002 0.000 0.192 380 D C 2.032 178.378 176.300 0.075 0.000 0.993 380 D CA 1.347 55.381 54.000 0.056 0.000 0.828 380 D CB -0.247 40.592 40.800 0.066 0.000 0.968 380 D HN 0.101 nan 8.370 nan 0.000 0.448 381 V N 1.472 121.487 119.914 0.168 0.000 2.594 381 V HA -0.214 3.907 4.120 0.002 0.000 0.253 381 V C 2.444 178.700 176.094 0.269 0.000 1.069 381 V CA 1.576 64.044 62.300 0.280 0.000 1.082 381 V CB -0.714 31.326 31.823 0.362 0.000 0.680 381 V HN 0.173 nan 8.190 nan 0.000 0.469 382 A N 0.020 122.976 122.820 0.227 0.000 1.855 382 A HA -0.135 4.187 4.320 0.002 0.000 0.215 382 A C 2.402 180.011 177.584 0.042 0.000 1.191 382 A CA 2.001 54.165 52.037 0.212 0.000 0.613 382 A CB -0.697 18.489 19.000 0.311 0.000 0.829 382 A HN 0.309 nan 8.150 nan 0.000 0.442 383 V N -0.355 119.526 119.914 -0.056 0.000 2.255 383 V HA -0.362 3.759 4.120 0.002 0.000 0.247 383 V C 2.684 178.672 176.094 -0.178 0.000 1.051 383 V CA 2.166 64.386 62.300 -0.133 0.000 1.018 383 V CB -1.282 30.454 31.823 -0.146 0.000 0.641 383 V HN 0.710 nan 8.190 nan 0.000 0.445 384 C N -0.425 118.727 119.300 -0.247 0.000 2.403 384 C HA -0.214 4.247 4.460 0.002 0.000 0.279 384 C C 2.677 177.326 174.990 -0.567 0.000 1.269 384 C CA 1.180 59.823 59.018 -0.625 0.000 1.774 384 C CB -1.176 25.996 27.740 -0.946 0.000 1.993 384 C HN 0.540 nan 8.230 nan 0.000 0.496 385 M N -0.212 119.350 119.600 -0.063 0.000 2.618 385 M HA 0.014 4.495 4.480 0.002 0.000 0.240 385 M C 0.509 176.841 176.300 0.053 0.000 1.123 385 M CA 0.864 56.270 55.300 0.177 0.000 1.060 385 M CB -0.163 32.609 32.600 0.288 0.000 1.535 385 M HN 0.256 nan 8.290 nan 0.000 0.507 386 D N 1.425 121.797 120.400 -0.046 0.000 2.809 386 D HA -0.137 4.504 4.640 0.002 0.000 0.234 386 D C -0.916 175.376 176.300 -0.014 0.000 1.111 386 D CA 0.519 54.489 54.000 -0.049 0.000 0.726 386 D CB -1.066 39.713 40.800 -0.036 0.000 1.089 386 D HN 0.281 nan 8.370 nan 0.000 0.436 387 L N 0.054 121.273 121.223 -0.007 0.000 2.387 387 L HA 0.397 4.738 4.340 0.002 0.000 0.266 387 L C 0.874 177.701 176.870 -0.071 0.000 1.059 387 L CA -0.807 54.046 54.840 0.021 0.000 0.801 387 L CB 0.936 43.069 42.059 0.123 0.000 1.223 387 L HN -0.101 nan 8.230 nan 0.000 0.456 388 D N -0.170 120.204 120.400 -0.044 0.000 2.494 388 D HA 0.048 4.689 4.640 0.002 0.000 0.217 388 D C 1.067 177.195 176.300 -0.287 0.000 1.153 388 D CA -0.304 53.627 54.000 -0.114 0.000 0.954 388 D CB 0.705 41.490 40.800 -0.024 0.000 1.034 388 D HN 0.566 nan 8.370 nan 0.000 0.518 389 T N 0.503 114.685 114.554 -0.620 0.000 3.160 389 T HA -0.001 4.350 4.350 0.002 0.000 0.257 389 T C 1.694 176.068 174.700 -0.543 0.000 1.147 389 T CA 0.218 61.547 62.100 -1.285 0.000 1.064 389 T CB -0.051 67.987 68.868 -1.383 0.000 0.949 389 T HN 0.249 nan 8.240 nan 0.000 0.526 390 R N 0.573 120.922 120.500 -0.250 0.000 2.092 390 R HA 0.073 4.414 4.340 0.002 0.000 0.231 390 R C 1.186 177.499 176.300 0.021 0.000 1.119 390 R CA 1.121 57.166 56.100 -0.092 0.000 0.970 390 R CB -0.153 30.108 30.300 -0.064 0.000 0.864 390 R HN 0.376 nan 8.270 nan 0.000 0.440 391 T N -1.689 112.917 114.554 0.087 0.000 2.893 391 T HA 0.147 4.498 4.350 0.002 0.000 0.291 391 T C 1.121 176.013 174.700 0.320 0.000 1.028 391 T CA -0.577 61.622 62.100 0.164 0.000 0.995 391 T CB 1.841 70.772 68.868 0.105 0.000 1.051 391 T HN 0.249 nan 8.240 nan 0.000 0.470 392 T N 0.379 115.077 114.554 0.240 0.000 2.904 392 T HA -0.066 4.285 4.350 0.002 0.000 0.267 392 T C 2.100 176.859 174.700 0.098 0.000 1.059 392 T CA 1.405 63.606 62.100 0.169 0.000 1.137 392 T CB -0.666 68.244 68.868 0.071 0.000 0.879 392 T HN 0.642 nan 8.240 nan 0.000 0.467 393 S N 2.428 118.186 115.700 0.097 0.000 2.500 393 S HA -0.103 4.368 4.470 0.002 0.000 0.239 393 S C 2.133 176.782 174.600 0.083 0.000 0.989 393 S CA 0.950 59.190 58.200 0.067 0.000 0.951 393 S CB -0.933 62.300 63.200 0.056 0.000 0.759 393 S HN 0.772 nan 8.310 nan 0.000 0.523 394 S N 1.612 117.399 115.700 0.144 0.000 2.527 394 S HA 0.238 4.709 4.470 0.002 0.000 0.222 394 S C 0.944 175.626 174.600 0.136 0.000 0.985 394 S CA 0.233 58.524 58.200 0.152 0.000 0.921 394 S CB -0.929 62.395 63.200 0.206 0.000 0.772 394 S HN 0.596 nan 8.310 nan 0.000 0.529 395 L N 0.705 121.975 121.223 0.079 0.000 3.865 395 L HA -0.171 4.170 4.340 0.002 0.000 0.408 395 L C 1.631 178.495 176.870 -0.011 0.000 1.209 395 L CA 0.663 55.485 54.840 -0.029 0.000 0.940 395 L CB -2.472 39.583 42.059 -0.008 0.000 1.971 395 L HN 0.731 nan 8.230 nan 0.000 0.899 396 W N -0.079 121.236 121.300 0.025 0.000 2.374 396 W HA -0.153 4.507 4.660 0.001 0.000 0.288 396 W C 1.748 178.289 176.519 0.038 0.000 1.218 396 W CA 1.302 58.666 57.345 0.033 0.000 1.245 396 W CB -0.705 28.773 29.460 0.030 0.000 1.126 396 W HN 0.279 nan 8.180 nan 0.000 0.545 397 K N 1.101 120.995 120.400 -0.844 0.000 2.002 397 K HA -0.186 4.135 4.320 0.002 0.000 0.209 397 K C 1.591 178.030 176.600 -0.269 0.000 1.048 397 K CA 2.518 58.358 56.287 -0.745 0.000 0.930 397 K CB -0.366 31.594 32.500 -0.900 0.000 0.714 397 K HN 0.005 nan 8.250 nan 0.000 0.438 398 D N 0.457 120.728 120.400 -0.216 0.000 2.104 398 D HA -0.144 4.497 4.640 0.002 0.000 0.194 398 D C 1.714 177.996 176.300 -0.030 0.000 0.994 398 D CA 1.299 55.236 54.000 -0.105 0.000 0.830 398 D CB -0.005 40.745 40.800 -0.085 0.000 0.959 398 D HN 0.117 nan 8.370 nan 0.000 0.452 399 K N 0.349 120.757 120.400 0.013 0.000 2.009 399 K HA -0.090 4.232 4.320 0.002 0.000 0.210 399 K C 2.213 178.870 176.600 0.095 0.000 1.049 399 K CA 1.293 57.621 56.287 0.067 0.000 0.929 399 K CB -0.221 32.345 32.500 0.110 0.000 0.714 399 K HN 0.103 nan 8.250 nan 0.000 0.440 400 A N 1.297 124.196 122.820 0.131 0.000 1.933 400 A HA -0.119 4.202 4.320 0.002 0.000 0.218 400 A C 2.334 179.991 177.584 0.121 0.000 1.175 400 A CA 1.834 53.976 52.037 0.174 0.000 0.628 400 A CB -0.680 18.469 19.000 0.248 0.000 0.814 400 A HN 0.365 nan 8.150 nan 0.000 0.444 401 A N -0.574 122.277 122.820 0.051 0.000 1.908 401 A HA -0.027 4.294 4.320 0.002 0.000 0.218 401 A C 2.232 179.819 177.584 0.004 0.000 1.181 401 A CA 1.840 53.882 52.037 0.009 0.000 0.627 401 A CB -0.906 18.064 19.000 -0.051 0.000 0.818 401 A HN 0.384 nan 8.150 nan 0.000 0.445 402 V N 0.321 120.244 119.914 0.016 0.000 2.358 402 V HA -0.199 3.922 4.120 0.002 0.000 0.246 402 V C 2.574 178.686 176.094 0.030 0.000 1.047 402 V CA 2.102 64.414 62.300 0.021 0.000 1.035 402 V CB -0.663 31.181 31.823 0.035 0.000 0.658 402 V HN 0.539 nan 8.190 nan 0.000 0.452 403 E N 0.042 120.283 120.200 0.067 0.000 2.072 403 E HA -0.151 4.200 4.350 0.002 0.000 0.191 403 E C 2.171 178.768 176.600 -0.005 0.000 0.985 403 E CA 1.304 57.761 56.400 0.095 0.000 0.801 403 E CB -0.337 29.449 29.700 0.142 0.000 0.750 403 E HN 0.570 nan 8.360 nan 0.000 0.452 404 I N 1.482 122.079 120.570 0.044 0.000 2.208 404 I HA -0.308 3.863 4.170 0.002 0.000 0.245 404 I C 1.841 177.922 176.117 -0.060 0.000 1.097 404 I CA 1.231 62.554 61.300 0.039 0.000 1.363 404 I CB -0.371 37.724 38.000 0.158 0.000 1.051 404 I HN 0.052 nan 8.210 nan 0.000 0.413 405 N N 0.512 119.178 118.700 -0.055 0.000 2.188 405 N HA -0.156 4.586 4.740 0.002 0.000 0.184 405 N C 1.682 177.140 175.510 -0.087 0.000 1.018 405 N CA 0.771 53.774 53.050 -0.078 0.000 0.858 405 N CB -0.177 38.272 38.487 -0.063 0.000 0.989 405 N HN 0.159 nan 8.380 nan 0.000 0.426 406 L N 0.705 121.864 121.223 -0.106 0.000 2.046 406 L HA -0.034 4.307 4.340 0.002 0.000 0.208 406 L C 1.986 178.711 176.870 -0.242 0.000 1.077 406 L CA 1.396 56.139 54.840 -0.163 0.000 0.747 406 L CB -0.824 41.104 42.059 -0.218 0.000 0.896 406 L HN 0.155 nan 8.230 nan 0.000 0.432 407 A N -1.032 121.581 122.820 -0.344 0.000 1.865 407 A HA -0.197 4.124 4.320 0.002 0.000 0.217 407 A C 2.272 179.783 177.584 -0.122 0.000 1.191 407 A CA 2.264 54.066 52.037 -0.393 0.000 0.623 407 A CB -1.257 17.285 19.000 -0.762 0.000 0.826 407 A HN 0.287 nan 8.150 nan 0.000 0.444 408 V N 0.123 119.995 119.914 -0.070 0.000 2.324 408 V HA -0.301 3.820 4.120 0.002 0.000 0.250 408 V C 2.598 178.745 176.094 0.088 0.000 1.060 408 V CA 2.141 64.466 62.300 0.041 0.000 1.042 408 V CB -0.799 30.978 31.823 -0.078 0.000 0.650 408 V HN 0.566 nan 8.190 nan 0.000 0.450 409 L N -0.824 120.395 121.223 -0.007 0.000 2.027 409 L HA -0.204 4.137 4.340 0.002 0.000 0.206 409 L C 2.601 179.501 176.870 0.050 0.000 1.074 409 L CA 2.078 56.923 54.840 0.007 0.000 0.745 409 L CB -0.811 41.238 42.059 -0.017 0.000 0.898 409 L HN 0.450 nan 8.230 nan 0.000 0.433 410 H N -0.107 118.920 119.070 -0.071 0.000 2.290 410 H HA -0.150 4.407 4.556 0.002 0.000 0.298 410 H C 2.372 177.684 175.328 -0.027 0.000 1.087 410 H CA 1.970 57.966 56.048 -0.086 0.000 1.291 410 H CB -0.035 29.613 29.762 -0.190 0.000 1.369 410 H HN 0.157 nan 8.280 nan 0.000 0.492 411 S N -0.092 115.563 115.700 -0.075 0.000 2.365 411 S HA -0.190 4.282 4.470 0.002 0.000 0.221 411 S C 2.066 176.610 174.600 -0.094 0.000 1.037 411 S CA 1.500 59.639 58.200 -0.102 0.000 1.060 411 S CB -0.876 62.338 63.200 0.023 0.000 0.974 411 S HN 0.391 nan 8.310 nan 0.000 0.427 412 F N 2.105 121.997 119.950 -0.096 0.000 2.087 412 F HA -0.258 4.270 4.527 0.002 0.000 0.299 412 F C 2.846 178.587 175.800 -0.098 0.000 1.100 412 F CA 1.756 59.717 58.000 -0.065 0.000 1.226 412 F CB -0.510 38.473 39.000 -0.028 0.000 0.983 412 F HN 0.281 nan 8.300 nan 0.000 0.479 413 Q N -0.710 119.122 119.800 0.054 0.000 2.170 413 Q HA -0.197 4.144 4.340 0.002 0.000 0.203 413 Q C 2.129 178.064 176.000 -0.109 0.000 0.976 413 Q CA 1.227 57.010 55.803 -0.034 0.000 0.858 413 Q CB -0.365 28.343 28.738 -0.049 0.000 0.907 413 Q HN 0.388 nan 8.270 nan 0.000 0.433 414 L N 0.366 121.467 121.223 -0.204 0.000 2.109 414 L HA 0.046 4.388 4.340 0.002 0.000 0.207 414 L C 1.898 178.681 176.870 -0.145 0.000 1.086 414 L CA 1.723 56.431 54.840 -0.220 0.000 0.760 414 L CB -0.537 41.304 42.059 -0.364 0.000 0.910 414 L HN 0.071 nan 8.230 nan 0.000 0.437 415 A N -0.854 121.877 122.820 -0.148 0.000 2.238 415 A HA 0.039 4.361 4.320 0.002 0.000 0.208 415 A C 0.727 178.252 177.584 -0.099 0.000 1.177 415 A CA 0.048 52.005 52.037 -0.133 0.000 0.804 415 A CB -0.650 18.234 19.000 -0.192 0.000 0.823 415 A HN 0.481 nan 8.150 nan 0.000 0.482 416 K N -0.828 119.526 120.400 -0.078 0.000 3.419 416 K HA -0.128 4.194 4.320 0.002 0.000 0.272 416 K C -0.874 175.705 176.600 -0.034 0.000 0.973 416 K CA 0.647 56.903 56.287 -0.052 0.000 0.749 416 K CB -2.251 30.218 32.500 -0.052 0.000 1.403 416 K HN 0.232 nan 8.250 nan 0.000 0.456 417 V N 0.868 120.785 119.914 0.005 0.000 2.604 417 V HA 0.180 4.301 4.120 0.002 0.000 0.305 417 V C 0.687 176.876 176.094 0.159 0.000 1.043 417 V CA -0.814 61.532 62.300 0.076 0.000 0.888 417 V CB 2.162 34.015 31.823 0.051 0.000 0.995 417 V HN 0.352 nan 8.190 nan 0.000 0.429 418 T N 5.884 120.472 114.554 0.056 0.000 2.908 418 T HA 0.438 4.789 4.350 0.002 0.000 0.301 418 T C -0.278 174.411 174.700 -0.018 0.000 1.019 418 T CA 0.855 62.880 62.100 -0.125 0.000 1.152 418 T CB 0.018 68.648 68.868 -0.398 0.000 0.966 418 T HN 0.559 nan 8.240 nan 0.000 0.540 419 I N 2.451 122.944 120.570 -0.128 0.000 2.771 419 I HA 0.490 4.661 4.170 0.002 0.000 0.291 419 I C -1.578 174.518 176.117 -0.034 0.000 1.527 419 I CA -0.838 60.422 61.300 -0.067 0.000 1.024 419 I CB 1.743 39.614 38.000 -0.214 0.000 1.388 419 I HN 0.431 nan 8.210 nan 0.000 0.447 420 V N 6.005 125.973 119.914 0.090 0.000 2.540 420 V HA 0.477 4.598 4.120 0.002 0.000 0.302 420 V C -1.023 175.112 176.094 0.068 0.000 1.035 420 V CA -0.272 62.097 62.300 0.115 0.000 0.873 420 V CB 2.215 34.207 31.823 0.282 0.000 0.992 420 V HN 0.848 nan 8.190 nan 0.000 0.428 421 D N 4.051 124.471 120.400 0.033 0.000 2.329 421 D HA 0.168 4.809 4.640 0.002 0.000 0.246 421 D C 1.283 177.569 176.300 -0.024 0.000 1.111 421 D CA 0.062 54.068 54.000 0.009 0.000 0.941 421 D CB 0.523 41.304 40.800 -0.031 0.000 1.169 421 D HN 0.727 nan 8.370 nan 0.000 0.441 422 H N 0.432 119.441 119.070 -0.101 0.000 2.489 422 H HA -0.161 4.396 4.556 0.002 0.000 0.293 422 H C 0.880 176.111 175.328 -0.161 0.000 1.066 422 H CA 1.339 57.291 56.048 -0.159 0.000 1.305 422 H CB -0.522 29.088 29.762 -0.252 0.000 1.386 422 H HN 0.536 nan 8.280 nan 0.000 0.551 423 H N 1.102 119.916 119.070 -0.427 0.000 2.333 423 H HA 0.145 4.702 4.556 0.002 0.000 0.302 423 H C 2.514 177.801 175.328 -0.069 0.000 1.075 423 H CA 1.379 57.292 56.048 -0.225 0.000 1.348 423 H CB -0.250 29.356 29.762 -0.259 0.000 1.393 423 H HN 0.519 nan 8.280 nan 0.000 0.509 424 A N 1.250 124.109 122.820 0.066 0.000 1.930 424 A HA -0.042 4.279 4.320 0.002 0.000 0.217 424 A C 2.661 180.307 177.584 0.103 0.000 1.175 424 A CA 1.534 53.618 52.037 0.078 0.000 0.627 424 A CB -0.684 18.356 19.000 0.066 0.000 0.815 424 A HN 0.424 nan 8.150 nan 0.000 0.443 425 A N -0.107 122.771 122.820 0.098 0.000 1.873 425 A HA -0.098 4.223 4.320 0.002 0.000 0.215 425 A C 2.455 180.128 177.584 0.150 0.000 1.186 425 A CA 2.503 54.617 52.037 0.128 0.000 0.616 425 A CB -1.409 17.654 19.000 0.106 0.000 0.823 425 A HN 0.752 nan 8.150 nan 0.000 0.442 426 T N -2.501 112.123 114.554 0.117 0.000 2.867 426 T HA -0.098 4.253 4.350 0.002 0.000 0.268 426 T C 1.728 176.552 174.700 0.208 0.000 1.057 426 T CA 1.374 63.569 62.100 0.160 0.000 1.136 426 T CB -0.747 68.179 68.868 0.096 0.000 0.874 426 T HN 0.360 nan 8.240 nan 0.000 0.466 427 V N 2.386 122.395 119.914 0.158 0.000 2.358 427 V HA -0.126 3.995 4.120 0.002 0.000 0.246 427 V C 2.824 179.002 176.094 0.141 0.000 1.047 427 V CA 2.550 64.933 62.300 0.140 0.000 1.035 427 V CB -0.736 31.150 31.823 0.105 0.000 0.658 427 V HN 0.780 nan 8.190 nan 0.000 0.452 428 S N -0.534 115.258 115.700 0.153 0.000 2.383 428 S HA -0.232 4.240 4.470 0.002 0.000 0.227 428 S C 2.026 176.733 174.600 0.179 0.000 1.026 428 S CA 1.724 60.013 58.200 0.147 0.000 0.981 428 S CB -0.966 62.326 63.200 0.153 0.000 0.818 428 S HN 0.666 nan 8.310 nan 0.000 0.472 429 F N 2.127 122.133 119.950 0.094 0.000 2.216 429 F HA 0.041 4.569 4.527 0.002 0.000 0.300 429 F C 2.223 178.106 175.800 0.138 0.000 1.085 429 F CA 1.220 59.289 58.000 0.115 0.000 1.326 429 F CB -0.330 38.715 39.000 0.076 0.000 1.027 429 F HN 0.118 nan 8.300 nan 0.000 0.497 430 M N 0.486 120.154 119.600 0.114 0.000 2.117 430 M HA -0.195 4.287 4.480 0.002 0.000 0.262 430 M C 2.028 178.300 176.300 -0.046 0.000 1.065 430 M CA 1.624 56.939 55.300 0.025 0.000 1.114 430 M CB -1.249 31.410 32.600 0.097 0.000 1.361 430 M HN 0.135 nan 8.290 nan 0.000 0.408 431 K N -1.220 119.182 120.400 0.002 0.000 2.097 431 K HA -0.224 4.097 4.320 0.002 0.000 0.206 431 K C 1.998 178.568 176.600 -0.050 0.000 1.049 431 K CA 1.631 57.913 56.287 -0.008 0.000 0.933 431 K CB -0.636 31.882 32.500 0.031 0.000 0.717 431 K HN 0.343 nan 8.250 nan 0.000 0.442 432 H N 1.532 120.504 119.070 -0.164 0.000 2.352 432 H HA -0.061 4.496 4.556 0.002 0.000 0.299 432 H C 1.868 177.024 175.328 -0.287 0.000 1.097 432 H CA 1.562 57.478 56.048 -0.220 0.000 1.311 432 H CB -0.249 29.327 29.762 -0.311 0.000 1.377 432 H HN 0.043 nan 8.280 nan 0.000 0.504 433 L N -0.029 120.904 121.223 -0.482 0.000 2.042 433 L HA -0.194 4.147 4.340 0.002 0.000 0.210 433 L C 2.506 179.215 176.870 -0.269 0.000 1.076 433 L CA 1.796 56.387 54.840 -0.416 0.000 0.749 433 L CB -0.539 41.345 42.059 -0.291 0.000 0.893 433 L HN 0.481 nan 8.230 nan 0.000 0.432 434 D N 0.091 120.381 120.400 -0.185 0.000 2.097 434 D HA -0.189 4.453 4.640 0.002 0.000 0.195 434 D C 1.758 177.980 176.300 -0.130 0.000 0.989 434 D CA 1.227 55.155 54.000 -0.120 0.000 0.827 434 D CB 0.069 40.825 40.800 -0.072 0.000 0.966 434 D HN 0.287 nan 8.370 nan 0.000 0.456 435 N N 0.990 119.602 118.700 -0.147 0.000 2.104 435 N HA -0.148 4.594 4.740 0.002 0.000 0.190 435 N C 1.671 177.088 175.510 -0.154 0.000 1.024 435 N CA 0.870 53.851 53.050 -0.115 0.000 0.853 435 N CB -0.380 38.065 38.487 -0.071 0.000 1.008 435 N HN 0.345 nan 8.380 nan 0.000 0.424 436 E N 0.484 120.509 120.200 -0.292 0.000 2.208 436 E HA -0.122 4.229 4.350 0.002 0.000 0.193 436 E C 1.813 178.306 176.600 -0.178 0.000 0.988 436 E CA 0.453 56.682 56.400 -0.284 0.000 0.828 436 E CB -0.040 29.378 29.700 -0.470 0.000 0.763 436 E HN 0.326 nan 8.360 nan 0.000 0.478 437 Q N 1.347 121.054 119.800 -0.155 0.000 2.119 437 Q HA -0.083 4.259 4.340 0.002 0.000 0.201 437 Q C 1.724 177.678 176.000 -0.076 0.000 0.972 437 Q CA 1.532 57.274 55.803 -0.100 0.000 0.847 437 Q CB 0.098 28.786 28.738 -0.083 0.000 0.903 437 Q HN 0.142 nan 8.270 nan 0.000 0.433 438 K N -0.879 119.478 120.400 -0.072 0.000 2.076 438 K HA 0.065 4.387 4.320 0.002 0.000 0.204 438 K C 1.989 178.561 176.600 -0.047 0.000 1.051 438 K CA 0.969 57.226 56.287 -0.050 0.000 0.949 438 K CB -0.101 32.375 32.500 -0.040 0.000 0.726 438 K HN 0.186 nan 8.250 nan 0.000 0.443 439 A N 1.344 124.132 122.820 -0.054 0.000 1.970 439 A HA -0.042 4.279 4.320 0.002 0.000 0.216 439 A C 1.783 179.338 177.584 -0.049 0.000 1.170 439 A CA 1.060 53.074 52.037 -0.037 0.000 0.645 439 A CB 0.017 19.006 19.000 -0.018 0.000 0.816 439 A HN 0.173 nan 8.150 nan 0.000 0.447 440 R N -3.026 117.430 120.500 -0.073 0.000 2.555 440 R HA 0.263 4.604 4.340 0.002 0.000 0.312 440 R C 0.783 177.034 176.300 -0.082 0.000 0.938 440 R CA 0.527 56.583 56.100 -0.073 0.000 1.112 440 R CB 0.791 31.041 30.300 -0.082 0.000 1.535 440 R HN 0.693 nan 8.270 nan 0.000 0.525 441 G N 0.871 109.621 108.800 -0.083 0.000 2.140 441 G HA2 -0.103 3.859 3.960 0.002 0.000 0.211 441 G HA3 -0.103 3.859 3.960 0.002 0.000 0.211 441 G C 0.191 175.046 174.900 -0.076 0.000 1.013 441 G CA -0.079 44.967 45.100 -0.090 0.000 0.705 441 G HN 0.729 nan 8.290 nan 0.000 0.508 442 G N -2.299 106.466 108.800 -0.060 0.000 2.368 442 G HA2 0.531 4.492 3.960 0.002 0.000 0.302 442 G HA3 0.531 4.492 3.960 0.002 0.000 0.302 442 G C -0.716 174.177 174.900 -0.012 0.000 1.329 442 G CA 0.459 45.552 45.100 -0.011 0.000 0.935 442 G HN 2.021 nan 8.290 nan 0.000 0.590 443 C N 1.173 120.490 119.300 0.029 0.000 2.832 443 C HA 0.734 5.196 4.460 0.002 0.000 0.383 443 C C -2.710 172.235 174.990 -0.075 0.000 1.046 443 C CA -1.105 57.891 59.018 -0.037 0.000 1.242 443 C CB 1.019 28.682 27.740 -0.128 0.000 1.693 443 C HN 0.673 nan 8.230 nan 0.000 0.497 444 P HA 0.428 nan 4.420 nan 0.000 0.267 444 P C -0.750 176.435 177.300 -0.191 0.000 1.209 444 P CA 0.556 63.276 63.100 -0.634 0.000 0.763 444 P CB 0.709 31.925 31.700 -0.807 0.000 0.816 445 A N 2.377 125.136 122.820 -0.103 0.000 2.488 445 A HA 0.409 4.730 4.320 0.002 0.000 0.295 445 A C -1.214 176.409 177.584 0.065 0.000 1.045 445 A CA -0.490 51.587 52.037 0.067 0.000 0.703 445 A CB 1.139 20.291 19.000 0.253 0.000 1.271 445 A HN 0.398 nan 8.150 nan 0.000 0.400 446 D N 2.214 122.645 120.400 0.052 0.000 2.456 446 D HA 0.122 4.764 4.640 0.002 0.000 0.219 446 D C 0.875 177.301 176.300 0.210 0.000 1.126 446 D CA -0.428 53.635 54.000 0.104 0.000 0.890 446 D CB 0.280 41.081 40.800 0.001 0.000 1.025 446 D HN 0.625 nan 8.370 nan 0.000 0.511 447 W N 4.222 125.555 121.300 0.055 0.000 2.305 447 W HA -0.317 4.345 4.660 0.002 0.000 0.308 447 W C 1.936 178.490 176.519 0.059 0.000 1.226 447 W CA 2.245 59.614 57.345 0.040 0.000 1.253 447 W CB 0.076 29.539 29.460 0.005 0.000 1.146 447 W HN 0.541 nan 8.180 nan 0.000 0.507 448 A N -1.147 121.975 122.820 0.504 0.000 1.978 448 A HA -0.211 4.111 4.320 0.002 0.000 0.220 448 A C 1.500 179.170 177.584 0.142 0.000 1.170 448 A CA 1.690 53.947 52.037 0.366 0.000 0.636 448 A CB -1.274 17.961 19.000 0.392 0.000 0.810 448 A HN 0.543 nan 8.150 nan 0.000 0.448 449 W N -0.721 120.553 121.300 -0.044 0.000 2.630 449 W HA 0.170 4.831 4.660 0.002 0.000 0.271 449 W C 1.914 178.314 176.519 -0.197 0.000 1.244 449 W CA 0.002 57.293 57.345 -0.091 0.000 1.353 449 W CB -0.099 29.333 29.460 -0.047 0.000 1.080 449 W HN 0.142 nan 8.180 nan 0.000 0.594 450 I N -0.048 120.480 120.570 -0.069 0.000 2.286 450 I HA -0.096 4.076 4.170 0.002 0.000 0.245 450 I C 0.685 176.590 176.117 -0.353 0.000 1.104 450 I CA 0.829 61.951 61.300 -0.297 0.000 1.397 450 I CB -1.633 36.111 38.000 -0.428 0.000 1.072 450 I HN -0.408 nan 8.210 nan 0.000 0.417 451 V N 4.848 124.464 119.914 -0.497 0.000 2.485 451 V HA 0.070 4.191 4.120 0.002 0.000 0.287 451 V C -1.686 174.217 176.094 -0.317 0.000 1.022 451 V CA -1.055 60.944 62.300 -0.502 0.000 1.067 451 V CB -0.029 31.260 31.823 -0.889 0.000 0.967 451 V HN 0.185 nan 8.190 nan 0.000 0.479 452 P HA 0.153 nan 4.420 nan 0.000 0.270 452 P C -2.240 174.919 177.300 -0.235 0.000 1.223 452 P CA -1.398 61.567 63.100 -0.226 0.000 0.785 452 P CB 0.163 31.740 31.700 -0.204 0.000 0.923 453 P HA -0.015 nan 4.420 nan 0.000 0.225 453 P C 0.400 177.577 177.300 -0.204 0.000 1.148 453 P CA 1.331 64.300 63.100 -0.218 0.000 0.779 453 P CB -0.124 31.439 31.700 -0.227 0.000 0.780 454 I N -8.012 112.399 120.570 -0.265 0.000 2.934 454 I HA 0.463 4.634 4.170 0.002 0.000 0.306 454 I C -0.096 175.892 176.117 -0.215 0.000 1.110 454 I CA -1.352 59.810 61.300 -0.229 0.000 1.019 454 I CB 2.012 39.858 38.000 -0.258 0.000 1.227 454 I HN -0.402 nan 8.210 nan 0.000 0.434 455 S N 1.841 117.469 115.700 -0.121 0.000 3.521 455 S HA -0.204 4.267 4.470 0.002 0.000 0.362 455 S C 1.367 175.922 174.600 -0.076 0.000 1.044 455 S CA 0.799 58.965 58.200 -0.056 0.000 1.091 455 S CB -1.820 61.414 63.200 0.057 0.000 0.908 455 S HN 1.265 nan 8.310 nan 0.000 0.473 456 G N 2.434 111.168 108.800 -0.111 0.000 2.631 456 G HA2 -0.340 3.621 3.960 0.002 0.000 0.219 456 G HA3 -0.340 3.621 3.960 0.002 0.000 0.219 456 G C 1.498 176.271 174.900 -0.211 0.000 1.214 456 G CA 1.646 46.691 45.100 -0.092 0.000 0.785 456 G HN 1.308 nan 8.290 nan 0.000 0.596 457 S N 0.325 115.655 115.700 -0.617 0.000 2.507 457 S HA 0.133 4.604 4.470 0.002 0.000 0.235 457 S C 2.143 176.637 174.600 -0.176 0.000 0.988 457 S CA 0.785 58.437 58.200 -0.914 0.000 0.944 457 S CB -0.240 62.233 63.200 -1.213 0.000 0.762 457 S HN 0.327 nan 8.310 nan 0.000 0.526 458 L N 1.969 123.162 121.223 -0.049 0.000 2.552 458 L HA 0.136 4.477 4.340 0.002 0.000 0.227 458 L C 1.267 178.257 176.870 0.201 0.000 1.146 458 L CA 0.508 55.414 54.840 0.110 0.000 0.858 458 L CB -0.930 41.228 42.059 0.166 0.000 0.969 458 L HN 0.490 nan 8.230 nan 0.000 0.451 459 T N -4.407 110.241 114.554 0.155 0.000 2.925 459 T HA 0.321 4.672 4.350 0.002 0.000 0.285 459 T C -1.713 173.142 174.700 0.259 0.000 1.021 459 T CA -2.003 60.209 62.100 0.187 0.000 1.042 459 T CB 1.949 70.871 68.868 0.090 0.000 1.037 459 T HN -0.204 nan 8.240 nan 0.000 0.481 460 P HA -0.056 nan 4.420 nan 0.000 0.221 460 P C 1.720 179.221 177.300 0.334 0.000 1.150 460 P CA 0.883 64.180 63.100 0.330 0.000 0.800 460 P CB -0.288 31.548 31.700 0.227 0.000 0.787 461 V N -3.832 116.219 119.914 0.229 0.000 2.809 461 V HA -0.146 3.975 4.120 0.002 0.000 0.256 461 V C 2.391 178.567 176.094 0.136 0.000 1.080 461 V CA 0.938 63.345 62.300 0.178 0.000 1.102 461 V CB -2.215 29.645 31.823 0.061 0.000 0.705 461 V HN -0.099 nan 8.190 nan 0.000 0.475 462 F N 1.851 121.759 119.950 -0.070 0.000 2.161 462 F HA -0.178 4.350 4.527 0.002 0.000 0.300 462 F C 2.412 178.311 175.800 0.164 0.000 1.089 462 F CA 2.174 60.130 58.000 -0.073 0.000 1.282 462 F CB -0.239 38.606 39.000 -0.258 0.000 1.010 462 F HN 0.274 nan 8.300 nan 0.000 0.485 463 H N -0.868 118.531 119.070 0.547 0.000 2.539 463 H HA 0.101 4.659 4.556 0.002 0.000 0.267 463 H C 0.260 175.818 175.328 0.383 0.000 0.982 463 H CA 0.222 56.542 56.048 0.453 0.000 1.146 463 H CB -0.175 29.839 29.762 0.421 0.000 1.382 463 H HN 0.270 nan 8.280 nan 0.000 0.577 464 Q N 2.035 122.102 119.800 0.446 0.000 2.314 464 Q HA 0.158 4.499 4.340 0.002 0.000 0.259 464 Q C -0.536 175.693 176.000 0.382 0.000 0.951 464 Q CA -0.427 55.597 55.803 0.368 0.000 0.909 464 Q CB 0.874 29.797 28.738 0.309 0.000 1.236 464 Q HN 0.245 nan 8.270 nan 0.000 0.444 465 E N 3.476 123.850 120.200 0.291 0.000 2.390 465 E HA 0.344 4.695 4.350 0.002 0.000 0.261 465 E C -0.447 176.282 176.600 0.215 0.000 1.076 465 E CA 0.113 56.641 56.400 0.214 0.000 0.905 465 E CB 0.899 30.707 29.700 0.180 0.000 0.984 465 E HN 0.599 nan 8.360 nan 0.000 0.427 466 M N 1.055 120.774 119.600 0.199 0.000 2.531 466 M HA 0.392 4.873 4.480 0.002 0.000 0.286 466 M C -1.222 175.168 176.300 0.150 0.000 1.232 466 M CA -1.017 54.402 55.300 0.200 0.000 0.877 466 M CB 2.400 35.169 32.600 0.282 0.000 1.726 466 M HN 0.148 nan 8.290 nan 0.000 0.463 467 V N 1.606 121.610 119.914 0.151 0.000 2.495 467 V HA 0.525 4.646 4.120 0.002 0.000 0.298 467 V C -0.720 175.437 176.094 0.104 0.000 1.031 467 V CA -0.711 61.701 62.300 0.186 0.000 0.871 467 V CB 1.787 33.791 31.823 0.301 0.000 0.988 467 V HN 0.811 nan 8.190 nan 0.000 0.432 468 N N 3.319 122.083 118.700 0.107 0.000 2.321 468 N HA 0.698 5.439 4.740 0.002 0.000 0.299 468 N C -1.291 174.263 175.510 0.074 0.000 1.048 468 N CA -0.406 52.614 53.050 -0.050 0.000 0.836 468 N CB 1.685 40.171 38.487 -0.001 0.000 1.269 468 N HN 0.682 nan 8.380 nan 0.000 0.486 469 Y N -0.083 120.226 120.300 0.016 0.000 2.677 469 Y HA 0.539 5.090 4.550 0.002 0.000 0.334 469 Y C -1.229 174.666 175.900 -0.008 0.000 1.196 469 Y CA -1.193 56.912 58.100 0.008 0.000 1.059 469 Y CB 0.695 39.164 38.460 0.014 0.000 1.315 469 Y HN 0.219 nan 8.280 nan 0.000 0.455 470 I N 3.375 124.053 120.570 0.180 0.000 2.312 470 I HA 0.416 4.587 4.170 0.002 0.000 0.290 470 I C -0.663 175.525 176.117 0.117 0.000 1.008 470 I CA -0.404 60.942 61.300 0.078 0.000 1.226 470 I CB 0.971 38.992 38.000 0.034 0.000 1.371 470 I HN 0.424 nan 8.210 nan 0.000 0.468 471 L N 4.807 126.073 121.223 0.070 0.000 2.322 471 L HA 0.593 4.934 4.340 0.002 0.000 0.269 471 L C 0.000 176.872 176.870 0.002 0.000 1.012 471 L CA -0.576 54.303 54.840 0.064 0.000 0.815 471 L CB 2.054 44.154 42.059 0.068 0.000 1.295 471 L HN 0.505 nan 8.230 nan 0.000 0.438 472 S N 1.164 116.870 115.700 0.010 0.000 2.513 472 S HA 0.623 5.095 4.470 0.002 0.000 0.299 472 S C -2.568 172.038 174.600 0.011 0.000 1.087 472 S CA -1.395 56.796 58.200 -0.015 0.000 1.012 472 S CB 1.845 65.048 63.200 0.006 0.000 1.044 472 S HN 0.240 nan 8.310 nan 0.000 0.485 473 P HA 0.382 nan 4.420 nan 0.000 0.269 473 P C -1.258 175.925 177.300 -0.195 0.000 1.211 473 P CA 0.004 63.009 63.100 -0.159 0.000 0.781 473 P CB 0.449 32.017 31.700 -0.220 0.000 0.877 474 A N 1.260 123.920 122.820 -0.266 0.000 2.612 474 A HA 0.677 4.998 4.320 0.002 0.000 0.293 474 A C -1.657 175.712 177.584 -0.359 0.000 1.075 474 A CA -0.505 51.382 52.037 -0.250 0.000 0.680 474 A CB 0.776 19.698 19.000 -0.130 0.000 1.279 474 A HN 0.336 nan 8.150 nan 0.000 0.411 475 F N 0.931 120.805 119.950 -0.127 0.000 2.420 475 F HA 0.681 5.209 4.527 0.002 0.000 0.342 475 F C 0.929 176.621 175.800 -0.180 0.000 1.113 475 F CA 0.077 58.005 58.000 -0.121 0.000 1.059 475 F CB 1.880 40.794 39.000 -0.143 0.000 1.128 475 F HN 0.557 nan 8.300 nan 0.000 0.475 476 R N 1.766 122.281 120.500 0.025 0.000 2.837 476 R HA 0.474 4.815 4.340 0.002 0.000 0.271 476 R C -1.575 174.689 176.300 -0.061 0.000 0.993 476 R CA -1.195 54.840 56.100 -0.109 0.000 0.931 476 R CB 1.754 32.024 30.300 -0.049 0.000 1.206 476 R HN 0.402 nan 8.270 nan 0.000 0.474 477 Y N 1.272 121.588 120.300 0.028 0.000 2.301 477 Y HA 0.185 4.736 4.550 0.002 0.000 0.328 477 Y C 0.597 176.494 175.900 -0.006 0.000 1.242 477 Y CA -0.279 57.828 58.100 0.013 0.000 1.323 477 Y CB 0.864 39.320 38.460 -0.006 0.000 1.266 477 Y HN 0.452 nan 8.280 nan 0.000 0.527 478 Q N 0.963 120.853 119.800 0.151 0.000 2.456 478 Q HA 0.673 5.014 4.340 0.002 0.000 0.284 478 Q C -3.000 172.972 176.000 -0.046 0.000 1.061 478 Q CA -2.376 53.449 55.803 0.037 0.000 0.799 478 Q CB 1.514 30.264 28.738 0.020 0.000 1.445 478 Q HN 0.320 nan 8.270 nan 0.000 0.411 479 P HA 0.089 nan 4.420 nan 0.000 0.269 479 P C -1.268 175.826 177.300 -0.343 0.000 1.217 479 P CA 0.077 63.056 63.100 -0.203 0.000 0.783 479 P CB 0.313 31.904 31.700 -0.181 0.000 0.898 480 D N 1.985 122.045 120.400 -0.566 0.000 2.304 480 D HA 0.093 4.734 4.640 0.002 0.000 0.250 480 D C -1.393 174.258 176.300 -1.081 0.000 1.107 480 D CA -0.944 52.442 54.000 -1.023 0.000 0.885 480 D CB 0.009 39.784 40.800 -1.710 0.000 1.192 480 D HN 0.218 nan 8.370 nan 0.000 0.436 481 P HA -0.149 nan 4.420 nan 0.000 0.217 481 P C -0.041 176.917 177.300 -0.571 0.000 1.158 481 P CA 1.082 63.744 63.100 -0.730 0.000 0.887 481 P CB 0.020 31.118 31.700 -1.004 0.000 0.792 482 W N 0.000 120.907 121.300 -0.656 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.156 57.345 -0.316 0.000 1.226 482 W CB 0.000 29.268 29.460 -0.320 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535