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 1d0o_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.404 176.600 -0.327 0.000 0.988 69 K CA 0.000 56.097 56.287 -0.316 0.000 0.838 69 K CB 0.000 32.182 32.500 -0.530 0.000 1.064 70 F N 5.337 125.295 119.950 0.013 0.000 2.471 70 F HA 0.329 4.857 4.527 0.001 0.000 0.365 70 F C -1.989 173.870 175.800 0.099 0.000 1.095 70 F CA -1.813 56.209 58.000 0.038 0.000 1.174 70 F CB 0.290 39.311 39.000 0.034 0.000 1.105 70 F HN -0.093 nan 8.300 nan 0.000 0.535 71 P HA 0.058 nan 4.420 nan 0.000 0.267 71 P C -0.490 176.917 177.300 0.180 0.000 1.209 71 P CA -0.352 62.855 63.100 0.179 0.000 0.763 71 P CB 0.546 32.324 31.700 0.131 0.000 0.816 72 R N 3.287 123.858 120.500 0.119 0.000 2.216 72 R HA 0.326 4.667 4.340 0.001 0.000 0.332 72 R C -1.120 175.111 176.300 -0.114 0.000 1.056 72 R CA -0.404 55.636 56.100 -0.101 0.000 0.901 72 R CB 0.305 30.605 30.300 -0.001 0.000 1.039 72 R HN 0.243 nan 8.270 nan 0.000 0.456 73 V N 5.424 125.218 119.914 -0.201 0.000 2.417 73 V HA 0.334 4.454 4.120 0.001 0.000 0.291 73 V C -0.115 175.893 176.094 -0.144 0.000 1.024 73 V CA -0.665 61.583 62.300 -0.088 0.000 0.861 73 V CB 1.465 33.274 31.823 -0.023 0.000 0.985 73 V HN 0.687 nan 8.190 nan 0.000 0.436 74 K N 3.845 124.185 120.400 -0.101 0.000 2.259 74 K HA 0.414 4.734 4.320 0.001 0.000 0.252 74 K C -0.630 175.861 176.600 -0.181 0.000 0.936 74 K CA -0.710 55.432 56.287 -0.243 0.000 0.810 74 K CB 1.448 33.655 32.500 -0.489 0.000 1.143 74 K HN 0.705 nan 8.250 nan 0.000 0.427 75 N N 4.004 122.589 118.700 -0.191 0.000 2.437 75 N HA 0.090 4.831 4.740 0.001 0.000 0.259 75 N C -0.229 175.216 175.510 -0.107 0.000 0.983 75 N CA -0.318 52.725 53.050 -0.012 0.000 0.937 75 N CB 0.489 38.999 38.487 0.038 0.000 1.122 75 N HN 0.667 nan 8.380 nan 0.000 0.499 76 W N 2.060 123.449 121.300 0.147 0.000 2.800 76 W HA 0.095 4.756 4.660 0.002 0.000 0.249 76 W C 2.053 178.626 176.519 0.089 0.000 1.294 76 W CA -0.059 57.364 57.345 0.129 0.000 1.402 76 W CB 0.299 29.864 29.460 0.175 0.000 1.126 76 W HN 0.664 nan 8.180 nan 0.000 0.652 77 E N 0.338 120.685 120.200 0.244 0.000 2.140 77 E HA -0.079 4.272 4.350 0.001 0.000 0.191 77 E C 1.664 178.296 176.600 0.053 0.000 0.973 77 E CA 0.898 57.352 56.400 0.091 0.000 0.829 77 E CB -0.118 29.622 29.700 0.067 0.000 0.781 77 E HN 0.270 nan 8.360 nan 0.000 0.466 78 L N -1.001 120.248 121.223 0.044 0.000 2.638 78 L HA 0.361 4.702 4.340 0.001 0.000 0.232 78 L C 1.510 178.359 176.870 -0.035 0.000 1.099 78 L CA 0.372 55.216 54.840 0.007 0.000 0.883 78 L CB 0.693 42.759 42.059 0.012 0.000 1.136 78 L HN 0.368 nan 8.230 nan 0.000 0.492 79 G N 0.658 109.408 108.800 -0.084 0.000 2.184 79 G HA2 -0.324 3.637 3.960 0.001 0.000 0.264 79 G HA3 -0.324 3.637 3.960 0.001 0.000 0.264 79 G C 0.425 175.224 174.900 -0.168 0.000 0.975 79 G CA 0.489 45.493 45.100 -0.160 0.000 0.642 79 G HN 0.465 nan 8.290 nan 0.000 0.536 80 S N -0.514 115.110 115.700 -0.128 0.000 2.585 80 S HA 0.737 5.208 4.470 0.001 0.000 0.273 80 S C 0.145 174.647 174.600 -0.164 0.000 1.339 80 S CA -0.355 57.777 58.200 -0.113 0.000 1.028 80 S CB 2.123 65.283 63.200 -0.067 0.000 0.906 80 S HN 0.583 nan 8.310 nan 0.000 0.528 81 I N 1.370 121.845 120.570 -0.157 0.000 2.647 81 I HA 0.530 4.701 4.170 0.001 0.000 0.295 81 I C -0.135 175.834 176.117 -0.247 0.000 1.078 81 I CA -0.456 60.703 61.300 -0.235 0.000 1.048 81 I CB 2.649 40.493 38.000 -0.261 0.000 1.239 81 I HN 0.998 nan 8.210 nan 0.000 0.421 82 T N 0.937 115.284 114.554 -0.344 0.000 2.864 82 T HA 0.631 4.981 4.350 0.001 0.000 0.299 82 T C -1.366 173.046 174.700 -0.480 0.000 1.166 82 T CA -0.798 61.141 62.100 -0.268 0.000 1.007 82 T CB 1.662 70.471 68.868 -0.099 0.000 1.219 82 T HN 0.277 nan 8.240 nan 0.000 0.506 83 Y N 0.175 120.471 120.300 -0.006 0.000 2.331 83 Y HA 0.443 4.993 4.550 0.001 0.000 0.334 83 Y C -0.035 175.868 175.900 0.006 0.000 0.960 83 Y CA -1.062 57.044 58.100 0.010 0.000 1.130 83 Y CB 1.620 40.071 38.460 -0.015 0.000 1.164 83 Y HN 0.699 nan 8.280 nan 0.000 0.458 84 D N 2.468 122.968 120.400 0.168 0.000 2.352 84 D HA 0.049 4.690 4.640 0.001 0.000 0.245 84 D C 0.798 177.181 176.300 0.138 0.000 1.224 84 D CA 0.259 54.339 54.000 0.133 0.000 0.879 84 D CB 1.112 42.006 40.800 0.156 0.000 1.057 84 D HN 0.808 nan 8.370 nan 0.000 0.491 85 T N 1.004 115.566 114.554 0.013 0.000 3.044 85 T HA -0.053 4.298 4.350 0.001 0.000 0.250 85 T C 1.798 176.500 174.700 0.002 0.000 1.081 85 T CA -0.253 61.781 62.100 -0.110 0.000 1.040 85 T CB 0.134 68.772 68.868 -0.383 0.000 0.962 85 T HN 0.253 nan 8.240 nan 0.000 0.506 86 L N 2.308 123.530 121.223 -0.003 0.000 2.275 86 L HA 0.113 4.454 4.340 0.001 0.000 0.215 86 L C 2.527 179.295 176.870 -0.169 0.000 1.119 86 L CA 0.925 55.766 54.840 0.002 0.000 0.790 86 L CB -0.858 41.267 42.059 0.111 0.000 0.919 86 L HN 0.650 nan 8.230 nan 0.000 0.443 87 C N -1.717 117.291 119.300 -0.486 0.000 2.422 87 C HA 0.138 4.599 4.460 0.001 0.000 0.286 87 C C 2.688 177.454 174.990 -0.373 0.000 1.412 87 C CA 0.133 58.534 59.018 -1.029 0.000 1.786 87 C CB -2.182 24.957 27.740 -1.002 0.000 1.835 87 C HN 0.561 nan 8.230 nan 0.000 0.533 88 A N 0.082 122.851 122.820 -0.085 0.000 2.168 88 A HA -0.011 4.309 4.320 0.001 0.000 0.215 88 A C 2.239 179.827 177.584 0.008 0.000 1.152 88 A CA 1.057 53.103 52.037 0.016 0.000 0.716 88 A CB -0.352 18.791 19.000 0.239 0.000 0.794 88 A HN 0.671 nan 8.150 nan 0.000 0.465 89 Q N -0.079 119.721 119.800 -0.001 0.000 2.424 89 Q HA 0.084 4.425 4.340 0.001 0.000 0.204 89 Q C 0.790 176.819 176.000 0.049 0.000 0.933 89 Q CA 0.316 56.141 55.803 0.037 0.000 0.929 89 Q CB -0.416 28.356 28.738 0.058 0.000 1.037 89 Q HN 0.481 nan 8.270 nan 0.000 0.511 90 S N 1.294 117.015 115.700 0.034 0.000 2.498 90 S HA 0.008 4.479 4.470 0.001 0.000 0.281 90 S C 0.896 175.527 174.600 0.051 0.000 1.265 90 S CA -0.028 58.221 58.200 0.082 0.000 1.071 90 S CB 0.457 63.727 63.200 0.116 0.000 0.894 90 S HN 0.099 nan 8.310 nan 0.000 0.491 91 Q N 2.310 122.145 119.800 0.057 0.000 2.350 91 Q HA 0.206 4.547 4.340 0.001 0.000 0.225 91 Q C 0.162 176.185 176.000 0.038 0.000 0.878 91 Q CA 0.251 56.079 55.803 0.042 0.000 0.935 91 Q CB 0.258 29.022 28.738 0.045 0.000 1.099 91 Q HN 0.750 nan 8.270 nan 0.000 0.527 92 Q N 1.306 121.133 119.800 0.046 0.000 2.245 92 Q HA 0.210 4.550 4.340 0.001 0.000 0.256 92 Q C -1.262 174.765 176.000 0.045 0.000 0.942 92 Q CA -0.216 55.610 55.803 0.039 0.000 0.896 92 Q CB 1.122 29.879 28.738 0.032 0.000 1.272 92 Q HN -0.138 nan 8.270 nan 0.000 0.442 93 D N 1.994 122.414 120.400 0.035 0.000 2.255 93 D HA 0.443 5.083 4.640 0.001 0.000 0.249 93 D C -0.040 176.284 176.300 0.039 0.000 1.078 93 D CA 0.047 54.069 54.000 0.036 0.000 0.896 93 D CB 1.395 42.210 40.800 0.025 0.000 1.194 93 D HN 0.665 nan 8.370 nan 0.000 0.429 94 G N 0.941 109.769 108.800 0.047 0.000 2.537 94 G HA2 0.361 4.322 3.960 0.001 0.000 0.297 94 G HA3 0.361 4.322 3.960 0.001 0.000 0.297 94 G C -1.489 173.435 174.900 0.040 0.000 1.310 94 G CA -0.778 44.351 45.100 0.048 0.000 1.027 94 G HN 0.334 nan 8.290 nan 0.000 0.505 95 P HA 0.122 nan 4.420 nan 0.000 0.245 95 P C 0.344 177.663 177.300 0.032 0.000 1.206 95 P CA -0.037 63.084 63.100 0.035 0.000 0.781 95 P CB 0.105 31.828 31.700 0.039 0.000 0.994 96 C N 0.949 120.270 119.300 0.036 0.000 2.595 96 C HA 0.561 5.022 4.460 0.001 0.000 0.384 96 C C 1.128 176.131 174.990 0.023 0.000 1.289 96 C CA 0.198 59.234 59.018 0.030 0.000 2.372 96 C CB 0.686 28.448 27.740 0.037 0.000 2.593 96 C HN 0.391 nan 8.230 nan 0.000 0.639 97 T N -1.307 113.257 114.554 0.017 0.000 2.787 97 T HA 0.426 4.776 4.350 0.001 0.000 0.297 97 T C -2.535 172.169 174.700 0.008 0.000 1.221 97 T CA -1.013 61.093 62.100 0.011 0.000 1.006 97 T CB 1.207 70.080 68.868 0.008 0.000 1.328 97 T HN 0.253 nan 8.240 nan 0.000 0.509 98 P HA 0.099 nan 4.420 nan 0.000 0.223 98 P C 1.461 178.762 177.300 0.001 0.000 1.151 98 P CA 0.409 63.510 63.100 0.002 0.000 0.787 98 P CB 0.152 31.851 31.700 -0.002 0.000 0.788 99 R N 0.053 120.554 120.500 0.002 0.000 2.115 99 R HA -0.033 4.307 4.340 0.001 0.000 0.226 99 R C 0.431 176.731 176.300 0.001 0.000 1.100 99 R CA 0.832 56.932 56.100 0.001 0.000 0.980 99 R CB 0.195 30.496 30.300 0.001 0.000 0.875 99 R HN 0.082 nan 8.270 nan 0.000 0.445 100 R N -0.330 120.172 120.500 0.004 0.000 2.634 100 R HA 0.115 4.455 4.340 0.001 0.000 0.263 100 R C -1.852 174.453 176.300 0.009 0.000 1.060 100 R CA -0.732 55.370 56.100 0.004 0.000 0.898 100 R CB 0.012 30.315 30.300 0.004 0.000 1.253 100 R HN 0.066 nan 8.270 nan 0.000 0.461 101 C N 3.910 123.215 119.300 0.008 0.000 2.295 101 C HA 0.616 5.077 4.460 0.001 0.000 0.331 101 C C 0.586 175.589 174.990 0.022 0.000 1.280 101 C CA -0.706 58.321 59.018 0.016 0.000 1.746 101 C CB -0.710 27.036 27.740 0.009 0.000 2.328 101 C HN 0.770 nan 8.230 nan 0.000 0.521 102 L N 5.733 126.975 121.223 0.033 0.000 3.017 102 L HA 0.297 4.638 4.340 0.001 0.000 0.255 102 L C 2.057 178.965 176.870 0.063 0.000 1.247 102 L CA 0.248 55.113 54.840 0.041 0.000 1.038 102 L CB -0.026 42.055 42.059 0.037 0.000 1.380 102 L HN 1.039 nan 8.230 nan 0.000 0.548 103 G N 0.371 109.212 108.800 0.068 0.000 2.462 103 G HA2 -0.290 3.671 3.960 0.001 0.000 0.220 103 G HA3 -0.290 3.671 3.960 0.001 0.000 0.220 103 G C 1.643 176.630 174.900 0.144 0.000 1.121 103 G CA 1.201 46.361 45.100 0.100 0.000 0.758 103 G HN 0.523 nan 8.290 nan 0.000 0.559 104 S N -0.518 115.253 115.700 0.119 0.000 2.561 104 S HA 0.258 4.728 4.470 0.001 0.000 0.225 104 S C 0.763 175.458 174.600 0.157 0.000 0.977 104 S CA -0.356 57.928 58.200 0.141 0.000 0.926 104 S CB -0.097 63.151 63.200 0.080 0.000 0.769 104 S HN -0.002 nan 8.310 nan 0.000 0.533 105 L N 2.389 123.692 121.223 0.132 0.000 2.410 105 L HA 0.206 4.547 4.340 0.001 0.000 0.273 105 L C 1.401 178.380 176.870 0.182 0.000 1.144 105 L CA 0.204 55.116 54.840 0.119 0.000 0.863 105 L CB 0.674 42.778 42.059 0.075 0.000 1.140 105 L HN -0.009 nan 8.230 nan 0.000 0.463 106 V N 3.915 123.945 119.914 0.194 0.000 2.270 106 V HA -0.120 4.000 4.120 0.001 0.000 0.245 106 V C 0.934 177.084 176.094 0.092 0.000 1.043 106 V CA 1.291 63.757 62.300 0.276 0.000 1.014 106 V CB -0.316 31.672 31.823 0.274 0.000 0.645 106 V HN 0.494 nan 8.190 nan 0.000 0.447 107 L N -0.260 120.944 121.223 -0.030 0.000 2.304 107 L HA 0.502 4.842 4.340 0.001 0.000 0.268 107 L C -2.255 174.595 176.870 -0.034 0.000 1.010 107 L CA -1.564 53.183 54.840 -0.154 0.000 0.813 107 L CB 1.438 43.338 42.059 -0.264 0.000 1.315 107 L HN 0.144 nan 8.230 nan 0.000 0.445 108 P HA 0.674 nan 4.420 nan 0.000 0.342 108 P C -0.941 176.356 177.300 -0.005 0.000 1.231 108 P CA -0.549 62.562 63.100 0.018 0.000 0.801 108 P CB 2.103 33.841 31.700 0.063 0.000 1.419 109 R N -2.875 117.627 120.500 0.005 0.000 2.570 109 R HA 0.208 4.549 4.340 0.001 0.000 0.203 109 R C 1.474 177.776 176.300 0.003 0.000 0.968 109 R CA 0.130 56.226 56.100 -0.006 0.000 1.514 109 R CB -0.521 29.772 30.300 -0.011 0.000 1.719 109 R HN 0.121 nan 8.270 nan 0.000 0.503 110 K N 0.218 120.625 120.400 0.012 0.000 2.214 110 K HA 0.282 4.603 4.320 0.001 0.000 0.201 110 K C 0.955 177.567 176.600 0.020 0.000 1.049 110 K CA 0.730 57.026 56.287 0.014 0.000 0.978 110 K CB 0.309 32.819 32.500 0.016 0.000 0.842 110 K HN -0.063 nan 8.250 nan 0.000 0.474 111 L N 1.246 122.488 121.223 0.032 0.000 2.599 111 L HA 0.177 4.518 4.340 0.001 0.000 0.230 111 L C 0.800 177.699 176.870 0.047 0.000 1.141 111 L CA 0.534 55.397 54.840 0.039 0.000 0.877 111 L CB -0.738 41.352 42.059 0.051 0.000 1.009 111 L HN 0.182 nan 8.230 nan 0.000 0.447 112 Q N 0.306 120.133 119.800 0.044 0.000 2.584 112 Q HA 0.076 4.417 4.340 0.001 0.000 0.235 112 Q C 0.226 176.241 176.000 0.026 0.000 1.079 112 Q CA 0.454 56.284 55.803 0.046 0.000 0.977 112 Q CB 0.622 29.371 28.738 0.018 0.000 1.293 112 Q HN 0.310 nan 8.270 nan 0.000 0.553 113 T N 0.944 115.511 114.554 0.021 0.000 3.149 113 T HA 0.437 4.787 4.350 0.001 0.000 0.373 113 T C -0.279 174.415 174.700 -0.010 0.000 1.364 113 T CA -0.977 61.126 62.100 0.004 0.000 1.110 113 T CB 0.476 69.349 68.868 0.008 0.000 1.127 113 T HN 0.369 nan 8.240 nan 0.000 0.576 114 R N 3.194 123.685 120.500 -0.014 0.000 2.570 114 R HA 0.265 4.606 4.340 0.001 0.000 0.277 114 R C -1.988 174.298 176.300 -0.023 0.000 1.039 114 R CA -1.466 54.622 56.100 -0.021 0.000 1.065 114 R CB -0.120 30.170 30.300 -0.017 0.000 0.964 114 R HN 0.491 nan 8.270 nan 0.000 0.428 115 P HA -0.037 nan 4.420 nan 0.000 0.272 115 P C -0.541 176.746 177.300 -0.021 0.000 1.239 115 P CA 0.257 63.343 63.100 -0.024 0.000 0.807 115 P CB 0.458 32.143 31.700 -0.025 0.000 0.951 116 S N 1.725 117.414 115.700 -0.020 0.000 2.464 116 S HA 0.218 4.689 4.470 0.001 0.000 0.313 116 S C -1.646 172.947 174.600 -0.012 0.000 1.078 116 S CA -0.618 57.571 58.200 -0.018 0.000 1.096 116 S CB 0.161 63.347 63.200 -0.022 0.000 1.032 116 S HN 0.362 nan 8.310 nan 0.000 0.498 117 P HA 0.179 nan 4.420 nan 0.000 0.237 117 P C 0.646 177.943 177.300 -0.003 0.000 1.178 117 P CA 0.400 63.496 63.100 -0.006 0.000 0.766 117 P CB 0.145 31.841 31.700 -0.006 0.000 0.876 118 G N -1.583 107.214 108.800 -0.005 0.000 2.313 118 G HA2 0.276 4.237 3.960 0.001 0.000 0.296 118 G HA3 0.276 4.237 3.960 0.001 0.000 0.296 118 G C -3.388 171.509 174.900 -0.005 0.000 1.356 118 G CA -0.894 44.204 45.100 -0.002 0.000 0.833 118 G HN -0.369 nan 8.290 nan 0.000 0.552 119 P HA 0.282 nan 4.420 nan 0.000 0.268 119 P C -1.987 175.312 177.300 -0.002 0.000 1.204 119 P CA -0.603 62.495 63.100 -0.004 0.000 0.768 119 P CB 0.383 32.084 31.700 0.003 0.000 0.842 120 P HA 0.239 nan 4.420 nan 0.000 0.274 120 P C -2.524 174.780 177.300 0.007 0.000 1.231 120 P CA -1.576 61.523 63.100 -0.001 0.000 0.790 120 P CB -0.625 31.072 31.700 -0.005 0.000 0.951 121 P HA -0.108 nan 4.420 nan 0.000 0.261 121 P C 0.873 178.183 177.300 0.017 0.000 1.158 121 P CA 0.599 63.705 63.100 0.011 0.000 0.758 121 P CB 0.049 31.755 31.700 0.010 0.000 0.763 122 A N 4.474 127.305 122.820 0.017 0.000 1.972 122 A HA -0.199 4.122 4.320 0.001 0.000 0.219 122 A C 1.939 179.534 177.584 0.019 0.000 1.169 122 A CA 1.324 53.374 52.037 0.022 0.000 0.635 122 A CB -0.537 18.475 19.000 0.019 0.000 0.810 122 A HN 0.510 nan 8.150 nan 0.000 0.446 123 E N -0.387 119.822 120.200 0.015 0.000 2.028 123 E HA -0.219 4.132 4.350 0.001 0.000 0.191 123 E C 2.214 178.825 176.600 0.019 0.000 0.988 123 E CA 1.322 57.730 56.400 0.013 0.000 0.799 123 E CB -0.508 29.198 29.700 0.011 0.000 0.755 123 E HN 0.850 nan 8.360 nan 0.000 0.447 124 Q N 0.727 120.539 119.800 0.020 0.000 2.030 124 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 124 Q C 2.372 178.393 176.000 0.035 0.000 0.986 124 Q CA 1.446 57.263 55.803 0.024 0.000 0.843 124 Q CB -0.200 28.549 28.738 0.019 0.000 0.904 124 Q HN 0.204 nan 8.270 nan 0.000 0.420 125 L N 0.770 122.017 121.223 0.040 0.000 2.046 125 L HA -0.149 4.192 4.340 0.001 0.000 0.208 125 L C 2.272 179.185 176.870 0.071 0.000 1.077 125 L CA 1.514 56.394 54.840 0.067 0.000 0.747 125 L CB -0.851 41.253 42.059 0.076 0.000 0.896 125 L HN 0.381 nan 8.230 nan 0.000 0.432 126 L N -1.048 120.196 121.223 0.034 0.000 2.131 126 L HA -0.137 4.203 4.340 0.001 0.000 0.210 126 L C 2.653 179.529 176.870 0.010 0.000 1.092 126 L CA 1.918 56.756 54.840 -0.003 0.000 0.759 126 L CB -0.751 41.302 42.059 -0.010 0.000 0.903 126 L HN 0.481 nan 8.230 nan 0.000 0.435 127 S N -1.249 114.469 115.700 0.030 0.000 2.368 127 S HA -0.202 4.269 4.470 0.001 0.000 0.224 127 S C 1.908 176.549 174.600 0.068 0.000 1.029 127 S CA 1.376 59.601 58.200 0.041 0.000 0.988 127 S CB -0.116 63.106 63.200 0.036 0.000 0.838 127 S HN 0.658 nan 8.310 nan 0.000 0.462 128 Q N 0.376 120.225 119.800 0.081 0.000 2.119 128 Q HA 0.060 4.401 4.340 0.001 0.000 0.201 128 Q C 2.492 178.597 176.000 0.175 0.000 0.972 128 Q CA 1.269 57.141 55.803 0.114 0.000 0.847 128 Q CB -0.341 28.454 28.738 0.095 0.000 0.903 128 Q HN 0.668 nan 8.270 nan 0.000 0.433 129 A N 1.553 124.463 122.820 0.150 0.000 1.873 129 A HA -0.187 4.134 4.320 0.001 0.000 0.215 129 A C 2.035 179.696 177.584 0.128 0.000 1.186 129 A CA 1.256 53.374 52.037 0.136 0.000 0.616 129 A CB -0.367 18.518 19.000 -0.192 0.000 0.823 129 A HN 0.193 nan 8.150 nan 0.000 0.442 130 R N -0.607 119.933 120.500 0.067 0.000 2.081 130 R HA -0.158 4.182 4.340 0.001 0.000 0.235 130 R C 2.002 178.386 176.300 0.140 0.000 1.131 130 R CA 1.607 57.756 56.100 0.082 0.000 0.960 130 R CB -0.502 29.825 30.300 0.045 0.000 0.856 130 R HN 0.693 nan 8.270 nan 0.000 0.436 131 D N 0.154 120.644 120.400 0.150 0.000 2.117 131 D HA -0.202 4.438 4.640 0.001 0.000 0.197 131 D C 1.607 178.041 176.300 0.222 0.000 0.987 131 D CA 0.944 55.042 54.000 0.164 0.000 0.829 131 D CB -0.038 40.852 40.800 0.150 0.000 0.961 131 D HN 0.125 nan 8.370 nan 0.000 0.460 132 F N 0.708 120.747 119.950 0.149 0.000 2.146 132 F HA -0.066 4.462 4.527 0.001 0.000 0.298 132 F C 1.909 177.840 175.800 0.219 0.000 1.096 132 F CA 0.937 59.059 58.000 0.203 0.000 1.275 132 F CB -0.217 38.910 39.000 0.212 0.000 1.008 132 F HN -0.019 nan 8.300 nan 0.000 0.480 133 I N 0.880 121.468 120.570 0.030 0.000 2.226 133 I HA -0.299 3.872 4.170 0.001 0.000 0.245 133 I C 2.024 178.134 176.117 -0.012 0.000 1.100 133 I CA 1.169 62.461 61.300 -0.013 0.000 1.374 133 I CB -1.670 36.446 38.000 0.193 0.000 1.057 133 I HN 0.219 nan 8.210 nan 0.000 0.413 134 N N 0.866 119.618 118.700 0.086 0.000 2.120 134 N HA -0.190 4.551 4.740 0.001 0.000 0.188 134 N C 1.856 177.332 175.510 -0.056 0.000 1.024 134 N CA 1.115 54.220 53.050 0.091 0.000 0.852 134 N CB -0.286 38.298 38.487 0.161 0.000 1.003 134 N HN 0.507 nan 8.380 nan 0.000 0.424 135 Q N -0.799 118.967 119.800 -0.055 0.000 2.079 135 Q HA -0.151 4.190 4.340 0.001 0.000 0.200 135 Q C 1.725 177.496 176.000 -0.381 0.000 0.974 135 Q CA 1.047 56.829 55.803 -0.036 0.000 0.840 135 Q CB -0.190 28.676 28.738 0.213 0.000 0.898 135 Q HN 0.456 nan 8.270 nan 0.000 0.430 136 Y N -0.042 119.754 120.300 -0.840 0.000 2.145 136 Y HA -0.276 4.274 4.550 0.001 0.000 0.286 136 Y C 1.621 176.908 175.900 -1.023 0.000 1.145 136 Y CA 1.556 58.826 58.100 -1.383 0.000 1.148 136 Y CB -0.445 37.259 38.460 -1.259 0.000 0.981 136 Y HN 0.079 nan 8.280 nan 0.000 0.507 137 Y N -0.582 119.261 120.300 -0.761 0.000 2.352 137 Y HA -0.190 4.361 4.550 0.001 0.000 0.292 137 Y C 2.760 178.340 175.900 -0.533 0.000 1.136 137 Y CA 1.533 59.191 58.100 -0.738 0.000 1.227 137 Y CB -0.333 37.576 38.460 -0.919 0.000 0.991 137 Y HN 0.087 nan 8.280 nan 0.000 0.545 138 S N -0.837 114.673 115.700 -0.317 0.000 2.387 138 S HA -0.213 4.257 4.470 0.001 0.000 0.226 138 S C 2.300 176.749 174.600 -0.252 0.000 1.026 138 S CA 1.151 59.238 58.200 -0.188 0.000 0.972 138 S CB -0.546 62.596 63.200 -0.097 0.000 0.814 138 S HN 0.602 nan 8.310 nan 0.000 0.477 139 S N 2.718 118.163 115.700 -0.425 0.000 2.365 139 S HA -0.160 4.310 4.470 0.001 0.000 0.225 139 S C 1.720 176.101 174.600 -0.365 0.000 1.039 139 S CA 1.641 59.603 58.200 -0.396 0.000 1.033 139 S CB -0.735 62.008 63.200 -0.760 0.000 0.887 139 S HN 0.684 nan 8.310 nan 0.000 0.447 140 I N -2.445 117.802 120.570 -0.538 0.000 3.812 140 I HA 0.386 4.556 4.170 0.001 0.000 0.320 140 I C 0.523 176.508 176.117 -0.219 0.000 1.276 140 I CA -0.120 60.951 61.300 -0.381 0.000 1.164 140 I CB -0.511 37.185 38.000 -0.506 0.000 1.009 140 I HN 0.156 nan 8.210 nan 0.000 0.431 141 K N 1.067 121.355 120.400 -0.187 0.000 3.274 141 K HA -0.143 4.178 4.320 0.001 0.000 0.300 141 K C 0.018 176.585 176.600 -0.055 0.000 1.230 141 K CA 0.679 56.907 56.287 -0.098 0.000 0.884 141 K CB -1.124 31.334 32.500 -0.071 0.000 1.242 141 K HN 0.441 nan 8.250 nan 0.000 0.467 142 R N 0.415 120.892 120.500 -0.039 0.000 2.694 142 R HA 0.139 4.480 4.340 0.001 0.000 0.334 142 R C 0.230 176.578 176.300 0.081 0.000 1.143 142 R CA -0.169 55.957 56.100 0.044 0.000 1.073 142 R CB 0.785 31.156 30.300 0.118 0.000 1.366 142 R HN 0.092 nan 8.270 nan 0.000 0.577 143 S N -0.280 115.452 115.700 0.055 0.000 2.572 143 S HA 0.325 4.796 4.470 0.001 0.000 0.279 143 S C 1.451 176.140 174.600 0.149 0.000 1.341 143 S CA 1.125 59.410 58.200 0.142 0.000 1.043 143 S CB 0.555 63.806 63.200 0.084 0.000 0.887 143 S HN 0.739 nan 8.310 nan 0.000 0.516 144 G N 2.603 111.549 108.800 0.244 0.000 2.302 144 G HA2 -0.338 3.623 3.960 0.001 0.000 0.263 144 G HA3 -0.338 3.623 3.960 0.001 0.000 0.263 144 G C 0.457 175.324 174.900 -0.055 0.000 0.995 144 G CA 0.900 45.992 45.100 -0.014 0.000 0.622 144 G HN 1.662 nan 8.290 nan 0.000 0.538 145 S N -0.476 115.213 115.700 -0.019 0.000 2.592 145 S HA 0.279 4.749 4.470 0.001 0.000 0.256 145 S C 1.358 175.906 174.600 -0.088 0.000 1.369 145 S CA 0.929 59.101 58.200 -0.046 0.000 0.984 145 S CB 0.958 64.143 63.200 -0.025 0.000 0.919 145 S HN 0.603 nan 8.310 nan 0.000 0.576 146 Q N 0.431 120.190 119.800 -0.067 0.000 2.119 146 Q HA -0.086 4.254 4.340 0.001 0.000 0.201 146 Q C 2.289 178.237 176.000 -0.088 0.000 0.972 146 Q CA 1.321 57.081 55.803 -0.070 0.000 0.847 146 Q CB -0.753 27.962 28.738 -0.039 0.000 0.903 146 Q HN 0.934 nan 8.270 nan 0.000 0.433 147 A N -0.022 122.751 122.820 -0.080 0.000 2.024 147 A HA -0.244 4.076 4.320 0.001 0.000 0.220 147 A C 1.784 179.177 177.584 -0.318 0.000 1.164 147 A CA 1.735 53.730 52.037 -0.071 0.000 0.643 147 A CB -0.839 18.200 19.000 0.065 0.000 0.806 147 A HN 0.679 nan 8.150 nan 0.000 0.451 148 H N -1.424 117.212 119.070 -0.723 0.000 2.294 148 H HA -0.095 4.462 4.556 0.001 0.000 0.306 148 H C 2.197 177.250 175.328 -0.458 0.000 1.065 148 H CA 1.293 56.694 56.048 -1.079 0.000 1.343 148 H CB 0.100 29.343 29.762 -0.865 0.000 1.396 148 H HN 0.447 nan 8.280 nan 0.000 0.506 149 E N 0.902 120.944 120.200 -0.264 0.000 2.204 149 E HA -0.157 4.194 4.350 0.001 0.000 0.195 149 E C 1.927 178.462 176.600 -0.108 0.000 0.990 149 E CA 1.375 57.643 56.400 -0.220 0.000 0.821 149 E CB -0.017 29.565 29.700 -0.197 0.000 0.750 149 E HN 0.602 nan 8.360 nan 0.000 0.477 150 E N -0.630 119.522 120.200 -0.080 0.000 2.107 150 E HA -0.162 4.188 4.350 0.001 0.000 0.191 150 E C 2.083 178.688 176.600 0.008 0.000 0.982 150 E CA 0.881 57.264 56.400 -0.028 0.000 0.809 150 E CB -0.060 29.633 29.700 -0.012 0.000 0.756 150 E HN -0.003 nan 8.360 nan 0.000 0.459 151 R N 1.253 121.771 120.500 0.029 0.000 2.092 151 R HA -0.059 4.282 4.340 0.001 0.000 0.231 151 R C 2.062 178.414 176.300 0.087 0.000 1.119 151 R CA 1.058 57.225 56.100 0.111 0.000 0.970 151 R CB -0.514 29.943 30.300 0.261 0.000 0.864 151 R HN 0.139 nan 8.270 nan 0.000 0.440 152 L N -0.057 121.204 121.223 0.062 0.000 2.083 152 L HA -0.155 4.185 4.340 0.001 0.000 0.209 152 L C 2.542 179.403 176.870 -0.015 0.000 1.083 152 L CA 1.566 56.421 54.840 0.025 0.000 0.752 152 L CB -0.379 41.671 42.059 -0.015 0.000 0.899 152 L HN 0.312 nan 8.230 nan 0.000 0.433 153 Q N -0.339 119.451 119.800 -0.017 0.000 2.119 153 Q HA -0.194 4.147 4.340 0.001 0.000 0.201 153 Q C 2.139 178.138 176.000 -0.001 0.000 0.972 153 Q CA 1.288 57.081 55.803 -0.016 0.000 0.847 153 Q CB 0.087 28.815 28.738 -0.018 0.000 0.903 153 Q HN 0.481 nan 8.270 nan 0.000 0.433 154 E N -0.396 119.815 120.200 0.018 0.000 2.058 154 E HA -0.194 4.157 4.350 0.001 0.000 0.194 154 E C 2.027 178.645 176.600 0.030 0.000 0.997 154 E CA 1.496 57.920 56.400 0.039 0.000 0.801 154 E CB 0.010 29.752 29.700 0.068 0.000 0.746 154 E HN 0.157 nan 8.360 nan 0.000 0.450 155 V N 1.620 121.524 119.914 -0.017 0.000 2.343 155 V HA -0.247 3.873 4.120 0.001 0.000 0.247 155 V C 2.031 178.048 176.094 -0.129 0.000 1.051 155 V CA 1.866 64.080 62.300 -0.143 0.000 1.036 155 V CB -0.452 31.181 31.823 -0.316 0.000 0.654 155 V HN 0.248 nan 8.190 nan 0.000 0.451 156 E N 0.325 120.478 120.200 -0.078 0.000 2.106 156 E HA -0.138 4.213 4.350 0.001 0.000 0.192 156 E C 2.321 178.912 176.600 -0.014 0.000 0.984 156 E CA 1.210 57.580 56.400 -0.050 0.000 0.806 156 E CB -0.300 29.377 29.700 -0.038 0.000 0.750 156 E HN 0.597 nan 8.360 nan 0.000 0.458 157 A N 1.386 124.207 122.820 0.002 0.000 1.930 157 A HA -0.216 4.105 4.320 0.001 0.000 0.217 157 A C 2.019 179.626 177.584 0.039 0.000 1.175 157 A CA 1.379 53.428 52.037 0.020 0.000 0.627 157 A CB -0.319 18.695 19.000 0.024 0.000 0.815 157 A HN 0.189 nan 8.150 nan 0.000 0.443 158 E N -0.376 119.857 120.200 0.055 0.000 2.106 158 E HA -0.098 4.252 4.350 0.001 0.000 0.192 158 E C 1.838 178.494 176.600 0.094 0.000 0.984 158 E CA 1.206 57.664 56.400 0.097 0.000 0.806 158 E CB -0.022 29.773 29.700 0.157 0.000 0.750 158 E HN 0.345 nan 8.360 nan 0.000 0.458 159 V N 0.902 120.857 119.914 0.068 0.000 2.379 159 V HA -0.186 3.935 4.120 0.001 0.000 0.245 159 V C 2.357 178.477 176.094 0.044 0.000 1.044 159 V CA 1.602 63.942 62.300 0.066 0.000 1.036 159 V CB -0.565 31.280 31.823 0.037 0.000 0.664 159 V HN 0.381 nan 8.190 nan 0.000 0.453 160 A N -0.393 122.444 122.820 0.029 0.000 1.978 160 A HA -0.194 4.126 4.320 0.001 0.000 0.220 160 A C 2.436 180.038 177.584 0.029 0.000 1.170 160 A CA 2.400 54.451 52.037 0.023 0.000 0.636 160 A CB -0.444 18.565 19.000 0.015 0.000 0.810 160 A HN 0.526 nan 8.150 nan 0.000 0.448 161 S N -1.348 114.374 115.700 0.038 0.000 2.427 161 S HA -0.035 4.435 4.470 0.001 0.000 0.224 161 S C 1.962 176.589 174.600 0.046 0.000 1.047 161 S CA 1.427 59.651 58.200 0.041 0.000 0.953 161 S CB -0.074 63.153 63.200 0.045 0.000 0.824 161 S HN 0.868 nan 8.310 nan 0.000 0.502 162 T N -2.326 112.263 114.554 0.058 0.000 2.985 162 T HA 0.464 4.815 4.350 0.001 0.000 0.254 162 T C 1.478 176.206 174.700 0.048 0.000 1.021 162 T CA 0.820 62.956 62.100 0.060 0.000 0.957 162 T CB 0.513 69.432 68.868 0.085 0.000 1.047 162 T HN 0.521 nan 8.240 nan 0.000 0.511 163 G N 0.294 109.122 108.800 0.047 0.000 2.179 163 G HA2 -0.205 3.755 3.960 0.001 0.000 0.260 163 G HA3 -0.205 3.755 3.960 0.001 0.000 0.260 163 G C 0.190 175.113 174.900 0.038 0.000 0.977 163 G CA 0.528 45.650 45.100 0.037 0.000 0.641 163 G HN 0.995 nan 8.290 nan 0.000 0.533 164 T N -1.425 113.157 114.554 0.048 0.000 2.671 164 T HA 0.710 5.061 4.350 0.001 0.000 0.300 164 T C -1.154 173.598 174.700 0.087 0.000 1.238 164 T CA 0.373 62.484 62.100 0.019 0.000 1.020 164 T CB 1.538 70.340 68.868 -0.110 0.000 1.503 164 T HN 1.503 nan 8.240 nan 0.000 0.497 165 Y N -0.810 119.366 120.300 -0.207 0.000 2.744 165 Y HA 0.834 5.385 4.550 0.001 0.000 0.330 165 Y C -1.552 174.096 175.900 -0.420 0.000 1.263 165 Y CA -1.174 56.821 58.100 -0.175 0.000 1.065 165 Y CB 0.909 39.355 38.460 -0.023 0.000 1.306 165 Y HN 0.779 nan 8.280 nan 0.000 0.459 166 H N 0.464 119.582 119.070 0.079 0.000 2.690 166 H HA 0.671 5.228 4.556 0.001 0.000 0.368 166 H C -1.136 174.262 175.328 0.116 0.000 1.150 166 H CA -0.795 55.244 56.048 -0.014 0.000 1.174 166 H CB 2.104 31.891 29.762 0.041 0.000 1.684 166 H HN 0.670 nan 8.280 nan 0.000 0.538 167 L N 2.060 123.385 121.223 0.169 0.000 2.360 167 L HA 0.523 4.864 4.340 0.001 0.000 0.271 167 L C 0.438 177.382 176.870 0.124 0.000 1.057 167 L CA -0.863 54.087 54.840 0.184 0.000 0.803 167 L CB 1.086 43.228 42.059 0.139 0.000 1.207 167 L HN 0.439 nan 8.230 nan 0.000 0.445 168 R N 0.738 121.282 120.500 0.074 0.000 2.560 168 R HA 0.064 4.405 4.340 0.001 0.000 0.270 168 R C 0.923 177.211 176.300 -0.020 0.000 1.074 168 R CA -0.454 55.656 56.100 0.017 0.000 1.140 168 R CB 1.004 31.289 30.300 -0.024 0.000 1.073 168 R HN 0.658 nan 8.270 nan 0.000 0.527 169 E N 1.146 121.333 120.200 -0.021 0.000 2.097 169 E HA -0.239 4.112 4.350 0.001 0.000 0.196 169 E C 1.480 178.057 176.600 -0.039 0.000 1.000 169 E CA 2.100 58.478 56.400 -0.036 0.000 0.804 169 E CB 0.118 29.801 29.700 -0.028 0.000 0.740 169 E HN 0.681 nan 8.360 nan 0.000 0.454 170 S N -0.040 115.632 115.700 -0.046 0.000 2.402 170 S HA -0.156 4.315 4.470 0.001 0.000 0.229 170 S C 1.713 176.265 174.600 -0.080 0.000 1.021 170 S CA 1.163 59.350 58.200 -0.021 0.000 0.974 170 S CB -0.214 62.996 63.200 0.018 0.000 0.800 170 S HN 0.338 nan 8.310 nan 0.000 0.484 171 E N 0.849 120.887 120.200 -0.269 0.000 2.107 171 E HA 0.006 4.357 4.350 0.001 0.000 0.191 171 E C 2.015 178.753 176.600 0.231 0.000 0.982 171 E CA 0.944 57.197 56.400 -0.244 0.000 0.809 171 E CB -0.299 29.278 29.700 -0.204 0.000 0.756 171 E HN 0.450 nan 8.360 nan 0.000 0.459 172 L N 0.849 122.111 121.223 0.065 0.000 2.083 172 L HA -0.147 4.193 4.340 0.001 0.000 0.209 172 L C 2.152 179.011 176.870 -0.017 0.000 1.083 172 L CA 1.287 56.107 54.840 -0.034 0.000 0.752 172 L CB -0.160 41.813 42.059 -0.143 0.000 0.899 172 L HN -0.071 nan 8.230 nan 0.000 0.433 173 V N -0.480 119.453 119.914 0.033 0.000 2.358 173 V HA -0.289 3.832 4.120 0.001 0.000 0.246 173 V C 2.303 178.487 176.094 0.150 0.000 1.047 173 V CA 2.082 64.410 62.300 0.047 0.000 1.035 173 V CB -0.924 30.927 31.823 0.046 0.000 0.658 173 V HN 0.590 nan 8.190 nan 0.000 0.452 174 F N 2.129 122.155 119.950 0.126 0.000 2.134 174 F HA -0.003 4.524 4.527 0.001 0.000 0.299 174 F C 2.168 178.113 175.800 0.242 0.000 1.097 174 F CA 1.704 59.832 58.000 0.214 0.000 1.264 174 F CB -0.922 38.267 39.000 0.316 0.000 1.001 174 F HN 0.117 nan 8.300 nan 0.000 0.479 175 G N 0.019 108.927 108.800 0.180 0.000 2.446 175 G HA2 -0.249 3.712 3.960 0.001 0.000 0.217 175 G HA3 -0.249 3.712 3.960 0.001 0.000 0.217 175 G C 1.837 176.613 174.900 -0.207 0.000 1.168 175 G CA 0.948 46.029 45.100 -0.032 0.000 0.771 175 G HN 0.647 nan 8.290 nan 0.000 0.551 176 A N 0.738 123.471 122.820 -0.145 0.000 1.902 176 A HA -0.028 4.293 4.320 0.001 0.000 0.217 176 A C 2.318 179.900 177.584 -0.003 0.000 1.181 176 A CA 2.035 53.994 52.037 -0.130 0.000 0.623 176 A CB -0.347 18.607 19.000 -0.077 0.000 0.818 176 A HN 0.398 nan 8.150 nan 0.000 0.443 177 K N -0.856 119.577 120.400 0.056 0.000 2.057 177 K HA -0.100 4.221 4.320 0.001 0.000 0.206 177 K C 2.237 178.919 176.600 0.138 0.000 1.050 177 K CA 1.215 57.642 56.287 0.234 0.000 0.935 177 K CB -0.120 32.553 32.500 0.288 0.000 0.715 177 K HN 0.374 nan 8.250 nan 0.000 0.439 178 Q N 0.117 119.819 119.800 -0.164 0.000 2.224 178 Q HA -0.054 4.286 4.340 0.001 0.000 0.203 178 Q C 2.086 177.937 176.000 -0.248 0.000 0.970 178 Q CA 1.225 56.832 55.803 -0.327 0.000 0.865 178 Q CB -0.092 28.339 28.738 -0.512 0.000 0.922 178 Q HN 0.313 nan 8.270 nan 0.000 0.445 179 A N 0.077 122.752 122.820 -0.241 0.000 1.898 179 A HA -0.171 4.149 4.320 0.001 0.000 0.216 179 A C 1.799 179.367 177.584 -0.027 0.000 1.181 179 A CA 1.276 53.091 52.037 -0.370 0.000 0.620 179 A CB -0.896 17.542 19.000 -0.938 0.000 0.819 179 A HN 0.522 nan 8.150 nan 0.000 0.442 180 W N 1.017 122.321 121.300 0.006 0.000 2.381 180 W HA -0.090 4.571 4.660 0.001 0.000 0.301 180 W C 2.318 178.801 176.519 -0.060 0.000 1.205 180 W CA 1.425 58.826 57.345 0.092 0.000 1.285 180 W CB -0.642 28.872 29.460 0.090 0.000 1.133 180 W HN 0.363 nan 8.180 nan 0.000 0.521 181 R N 0.416 120.836 120.500 -0.133 0.000 2.105 181 R HA -0.192 4.149 4.340 0.001 0.000 0.239 181 R C 1.526 177.639 176.300 -0.312 0.000 1.135 181 R CA 1.857 57.633 56.100 -0.540 0.000 0.967 181 R CB -0.592 29.050 30.300 -1.096 0.000 0.861 181 R HN 0.087 nan 8.270 nan 0.000 0.442 182 N N 0.353 118.933 118.700 -0.199 0.000 2.467 182 N HA 0.014 4.755 4.740 0.001 0.000 0.184 182 N C -0.314 175.144 175.510 -0.087 0.000 1.106 182 N CA 0.677 53.639 53.050 -0.147 0.000 0.892 182 N CB 0.348 38.751 38.487 -0.141 0.000 0.969 182 N HN 0.181 nan 8.380 nan 0.000 0.454 183 A N 1.999 124.818 122.820 -0.002 0.000 2.489 183 A HA 0.232 4.552 4.320 0.001 0.000 0.289 183 A C -1.263 176.306 177.584 -0.027 0.000 1.216 183 A CA -0.942 51.100 52.037 0.008 0.000 0.883 183 A CB 0.280 19.337 19.000 0.095 0.000 1.110 183 A HN 0.013 nan 8.150 nan 0.000 0.523 184 P HA -0.138 nan 4.420 nan 0.000 0.219 184 P C 1.163 178.421 177.300 -0.070 0.000 1.146 184 P CA 1.174 64.225 63.100 -0.081 0.000 0.808 184 P CB 0.152 31.773 31.700 -0.132 0.000 0.779 185 R N -2.129 118.290 120.500 -0.134 0.000 2.297 185 R HA 0.118 4.459 4.340 0.001 0.000 0.197 185 R C 0.434 176.710 176.300 -0.040 0.000 0.943 185 R CA -0.056 55.971 56.100 -0.121 0.000 1.038 185 R CB -0.558 29.487 30.300 -0.425 0.000 0.957 185 R HN 0.184 nan 8.270 nan 0.000 0.484 186 C N 0.939 120.219 119.300 -0.034 0.000 2.373 186 C HA 0.179 4.639 4.460 0.001 0.000 0.354 186 C C 1.895 176.842 174.990 -0.072 0.000 1.249 186 C CA -0.576 58.452 59.018 0.017 0.000 1.784 186 C CB 0.417 28.253 27.740 0.159 0.000 2.408 186 C HN 0.273 nan 8.230 nan 0.000 0.542 187 V N 6.137 125.967 119.914 -0.140 0.000 3.541 187 V HA 0.212 4.332 4.120 0.001 0.000 0.267 187 V C 1.735 177.851 176.094 0.037 0.000 1.213 187 V CA 1.956 64.078 62.300 -0.296 0.000 1.149 187 V CB -0.110 31.559 31.823 -0.258 0.000 0.822 187 V HN 1.070 nan 8.190 nan 0.000 0.462 188 G N -0.560 108.301 108.800 0.102 0.000 3.434 188 G HA2 0.063 4.024 3.960 0.001 0.000 0.258 188 G HA3 0.063 4.024 3.960 0.001 0.000 0.258 188 G C 1.157 176.118 174.900 0.101 0.000 1.128 188 G CA -0.379 44.804 45.100 0.139 0.000 0.792 188 G HN 0.440 nan 8.290 nan 0.000 0.539 189 R N -0.094 120.376 120.500 -0.050 0.000 2.377 189 R HA 0.130 4.471 4.340 0.001 0.000 0.207 189 R C 1.813 177.704 176.300 -0.681 0.000 1.075 189 R CA 0.124 55.890 56.100 -0.556 0.000 1.035 189 R CB -0.137 29.817 30.300 -0.577 0.000 0.857 189 R HN 0.433 nan 8.270 nan 0.000 0.475 190 I N 0.624 120.989 120.570 -0.342 0.000 2.761 190 I HA -0.186 3.984 4.170 0.001 0.000 0.261 190 I C 1.262 177.315 176.117 -0.107 0.000 1.198 190 I CA 1.037 62.279 61.300 -0.097 0.000 1.482 190 I CB 0.228 38.264 38.000 0.061 0.000 1.100 190 I HN 0.158 nan 8.210 nan 0.000 0.445 191 Q N 0.692 120.373 119.800 -0.198 0.000 2.365 191 Q HA -0.100 4.240 4.340 0.001 0.000 0.203 191 Q C 1.565 177.200 176.000 -0.607 0.000 0.929 191 Q CA 0.266 55.955 55.803 -0.190 0.000 0.948 191 Q CB -0.205 28.588 28.738 0.091 0.000 1.043 191 Q HN 0.765 nan 8.270 nan 0.000 0.505 192 W N -0.159 120.499 121.300 -1.071 0.000 2.331 192 W HA -0.108 4.553 4.660 0.001 0.000 0.291 192 W C 1.153 177.417 176.519 -0.425 0.000 1.214 192 W CA 1.196 57.803 57.345 -1.230 0.000 1.228 192 W CB -1.160 27.703 29.460 -0.995 0.000 1.135 192 W HN 0.078 nan 8.180 nan 0.000 0.537 193 G N 1.199 109.355 108.800 -1.074 0.000 2.464 193 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 193 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 193 G C 0.882 175.585 174.900 -0.328 0.000 1.138 193 G CA 0.121 44.682 45.100 -0.898 0.000 0.793 193 G HN 0.234 nan 8.290 nan 0.000 0.539 194 K N 0.312 120.609 120.400 -0.172 0.000 2.244 194 K HA 0.479 4.799 4.320 0.001 0.000 0.263 194 K C -1.586 175.118 176.600 0.173 0.000 1.103 194 K CA -0.595 55.698 56.287 0.011 0.000 0.966 194 K CB 0.181 32.716 32.500 0.058 0.000 1.429 194 K HN 0.086 nan 8.250 nan 0.000 0.434 195 L N 3.407 124.713 121.223 0.137 0.000 2.476 195 L HA 0.285 4.626 4.340 0.001 0.000 0.269 195 L C -1.290 175.581 176.870 0.001 0.000 0.965 195 L CA -0.425 54.517 54.840 0.168 0.000 0.845 195 L CB 1.912 44.146 42.059 0.291 0.000 1.259 195 L HN 0.454 nan 8.230 nan 0.000 0.403 196 Q N 3.578 123.327 119.800 -0.085 0.000 2.323 196 Q HA 0.472 4.813 4.340 0.001 0.000 0.257 196 Q C -1.523 174.127 176.000 -0.585 0.000 1.022 196 Q CA -0.075 55.507 55.803 -0.370 0.000 0.919 196 Q CB 0.970 29.400 28.738 -0.514 0.000 1.220 196 Q HN 0.524 nan 8.270 nan 0.000 0.427 197 V N 6.310 125.925 119.914 -0.499 0.000 2.364 197 V HA 0.351 4.472 4.120 0.001 0.000 0.272 197 V C -0.573 175.211 176.094 -0.517 0.000 1.036 197 V CA -0.520 61.528 62.300 -0.421 0.000 0.880 197 V CB 0.060 31.758 31.823 -0.209 0.000 0.991 197 V HN 0.614 nan 8.190 nan 0.000 0.460 198 F N 2.759 122.579 119.950 -0.217 0.000 2.391 198 F HA 0.348 4.876 4.527 0.001 0.000 0.359 198 F C 0.595 176.212 175.800 -0.305 0.000 1.122 198 F CA -1.114 56.740 58.000 -0.243 0.000 1.120 198 F CB 0.837 39.690 39.000 -0.246 0.000 1.142 198 F HN 0.421 nan 8.300 nan 0.000 0.483 199 D N 3.318 123.668 120.400 -0.084 0.000 2.374 199 D HA 0.346 4.987 4.640 0.001 0.000 0.240 199 D C 0.176 176.290 176.300 -0.311 0.000 1.229 199 D CA 0.123 54.007 54.000 -0.193 0.000 0.895 199 D CB 1.034 41.766 40.800 -0.113 0.000 1.046 199 D HN 0.612 nan 8.370 nan 0.000 0.498 200 A N 4.621 127.075 122.820 -0.611 0.000 2.630 200 A HA 0.157 4.478 4.320 0.001 0.000 0.290 200 A C 1.593 178.855 177.584 -0.538 0.000 1.267 200 A CA -0.397 50.996 52.037 -1.072 0.000 0.950 200 A CB 0.017 17.788 19.000 -2.048 0.000 1.144 200 A HN 0.532 nan 8.150 nan 0.000 0.527 201 R N 0.114 120.449 120.500 -0.274 0.000 2.316 201 R HA -0.066 4.274 4.340 0.001 0.000 0.202 201 R C -0.038 176.232 176.300 -0.050 0.000 1.029 201 R CA 0.831 56.855 56.100 -0.126 0.000 1.018 201 R CB 0.047 30.321 30.300 -0.043 0.000 0.888 201 R HN 0.443 nan 8.270 nan 0.000 0.471 202 D N 0.434 120.835 120.400 0.002 0.000 2.767 202 D HA 0.070 4.710 4.640 0.001 0.000 0.241 202 D C -1.453 174.964 176.300 0.196 0.000 1.187 202 D CA -0.251 53.806 54.000 0.094 0.000 0.999 202 D CB -0.059 40.813 40.800 0.119 0.000 1.042 202 D HN -0.000 nan 8.370 nan 0.000 0.510 203 C N 1.376 120.760 119.300 0.140 0.000 2.535 203 C HA 0.630 5.091 4.460 0.001 0.000 0.319 203 C C 0.745 175.876 174.990 0.234 0.000 1.171 203 C CA -0.283 58.874 59.018 0.232 0.000 1.394 203 C CB 0.996 28.894 27.740 0.263 0.000 1.990 203 C HN 0.547 nan 8.230 nan 0.000 0.466 204 S N 1.743 117.624 115.700 0.302 0.000 2.787 204 S HA 0.363 4.834 4.470 0.001 0.000 0.255 204 S C -0.058 174.715 174.600 0.287 0.000 1.051 204 S CA 0.250 58.655 58.200 0.343 0.000 1.124 204 S CB -0.156 63.170 63.200 0.210 0.000 1.104 204 S HN 1.342 nan 8.310 nan 0.000 0.623 205 S N -0.301 115.568 115.700 0.281 0.000 2.607 205 S HA 0.844 5.314 4.470 0.001 0.000 0.273 205 S C 0.849 175.551 174.600 0.170 0.000 1.148 205 S CA -0.343 57.965 58.200 0.181 0.000 0.833 205 S CB 1.031 64.310 63.200 0.132 0.000 1.130 205 S HN 0.491 nan 8.310 nan 0.000 0.470 206 A N 0.636 123.530 122.820 0.124 0.000 1.930 206 A HA -0.055 4.266 4.320 0.001 0.000 0.217 206 A C 2.117 179.691 177.584 -0.017 0.000 1.175 206 A CA 2.058 54.155 52.037 0.101 0.000 0.627 206 A CB -1.226 17.902 19.000 0.215 0.000 0.815 206 A HN 0.876 nan 8.150 nan 0.000 0.443 207 Q N 0.268 120.127 119.800 0.098 0.000 2.112 207 Q HA -0.217 4.123 4.340 0.001 0.000 0.206 207 Q C 1.794 177.780 176.000 -0.024 0.000 0.987 207 Q CA 2.413 58.230 55.803 0.025 0.000 0.858 207 Q CB -0.351 28.477 28.738 0.150 0.000 0.905 207 Q HN 0.769 nan 8.270 nan 0.000 0.420 208 E N -0.863 119.369 120.200 0.053 0.000 2.106 208 E HA -0.141 4.210 4.350 0.001 0.000 0.192 208 E C 2.009 178.725 176.600 0.194 0.000 0.984 208 E CA 1.153 57.603 56.400 0.083 0.000 0.806 208 E CB -0.108 29.687 29.700 0.158 0.000 0.750 208 E HN 0.451 nan 8.360 nan 0.000 0.458 209 M N -0.059 119.636 119.600 0.159 0.000 2.117 209 M HA -0.158 4.323 4.480 0.001 0.000 0.262 209 M C 2.127 178.505 176.300 0.130 0.000 1.065 209 M CA 1.428 56.805 55.300 0.129 0.000 1.114 209 M CB -0.277 32.152 32.600 -0.284 0.000 1.361 209 M HN 0.148 nan 8.290 nan 0.000 0.408 210 F N 0.819 120.585 119.950 -0.307 0.000 2.102 210 F HA -0.257 4.271 4.527 0.001 0.000 0.298 210 F C 2.271 177.968 175.800 -0.171 0.000 1.105 210 F CA 1.686 59.446 58.000 -0.400 0.000 1.239 210 F CB -0.117 38.329 39.000 -0.924 0.000 0.991 210 F HN 0.052 nan 8.300 nan 0.000 0.474 211 T N -0.364 114.050 114.554 -0.234 0.000 2.708 211 T HA -0.251 4.099 4.350 0.001 0.000 0.266 211 T C 1.574 176.133 174.700 -0.234 0.000 1.037 211 T CA 1.905 63.812 62.100 -0.321 0.000 1.146 211 T CB -0.842 67.871 68.868 -0.258 0.000 0.865 211 T HN 0.373 nan 8.240 nan 0.000 0.435 212 Y N 0.876 121.118 120.300 -0.097 0.000 2.165 212 Y HA -0.106 4.445 4.550 0.001 0.000 0.286 212 Y C 2.356 178.203 175.900 -0.088 0.000 1.155 212 Y CA 0.824 58.871 58.100 -0.088 0.000 1.164 212 Y CB -0.363 38.121 38.460 0.040 0.000 0.978 212 Y HN 0.155 nan 8.280 nan 0.000 0.513 213 I N -1.287 119.381 120.570 0.164 0.000 2.179 213 I HA -0.375 3.795 4.170 0.001 0.000 0.242 213 I C 2.354 178.439 176.117 -0.053 0.000 1.088 213 I CA 1.073 62.416 61.300 0.072 0.000 1.357 213 I CB -0.539 37.506 38.000 0.074 0.000 1.051 213 I HN 0.327 nan 8.210 nan 0.000 0.409 214 C N 0.806 119.960 119.300 -0.243 0.000 2.413 214 C HA -0.147 4.314 4.460 0.001 0.000 0.277 214 C C 2.568 177.470 174.990 -0.147 0.000 1.265 214 C CA 0.897 59.752 59.018 -0.272 0.000 1.752 214 C CB -1.454 25.989 27.740 -0.494 0.000 1.998 214 C HN 0.552 nan 8.230 nan 0.000 0.489 215 N N -0.360 118.244 118.700 -0.160 0.000 2.270 215 N HA -0.099 4.642 4.740 0.001 0.000 0.181 215 N C 1.426 176.839 175.510 -0.162 0.000 1.016 215 N CA 1.128 54.072 53.050 -0.177 0.000 0.870 215 N CB -0.689 37.638 38.487 -0.268 0.000 0.979 215 N HN 0.764 nan 8.380 nan 0.000 0.431 216 H N 0.605 119.545 119.070 -0.216 0.000 2.326 216 H HA 0.109 4.666 4.556 0.001 0.000 0.301 216 H C 2.070 177.448 175.328 0.082 0.000 1.081 216 H CA 1.414 57.413 56.048 -0.083 0.000 1.334 216 H CB -0.018 29.743 29.762 -0.001 0.000 1.385 216 H HN 0.049 nan 8.280 nan 0.000 0.504 217 I N 0.616 121.353 120.570 0.278 0.000 2.226 217 I HA -0.254 3.917 4.170 0.001 0.000 0.245 217 I C 2.494 178.690 176.117 0.132 0.000 1.100 217 I CA 1.333 62.751 61.300 0.197 0.000 1.374 217 I CB -0.253 37.787 38.000 0.067 0.000 1.057 217 I HN 0.291 nan 8.210 nan 0.000 0.413 218 K N -0.067 120.379 120.400 0.077 0.000 2.057 218 K HA -0.242 4.078 4.320 0.001 0.000 0.207 218 K C 2.245 178.899 176.600 0.091 0.000 1.049 218 K CA 1.813 58.133 56.287 0.054 0.000 0.931 218 K CB -0.297 32.213 32.500 0.016 0.000 0.714 218 K HN 0.269 nan 8.250 nan 0.000 0.440 219 Y N 0.981 121.292 120.300 0.019 0.000 2.163 219 Y HA -0.205 4.345 4.550 0.001 0.000 0.288 219 Y C 2.122 178.073 175.900 0.085 0.000 1.136 219 Y CA 1.493 59.633 58.100 0.067 0.000 1.147 219 Y CB -0.336 38.212 38.460 0.148 0.000 0.987 219 Y HN 0.045 nan 8.280 nan 0.000 0.509 220 A N -0.411 122.546 122.820 0.228 0.000 1.883 220 A HA -0.203 4.117 4.320 0.001 0.000 0.217 220 A C 2.206 179.836 177.584 0.076 0.000 1.186 220 A CA 2.464 54.599 52.037 0.163 0.000 0.624 220 A CB -1.408 17.754 19.000 0.270 0.000 0.822 220 A HN 0.530 nan 8.150 nan 0.000 0.444 221 T N -0.384 114.219 114.554 0.082 0.000 2.708 221 T HA -0.139 4.211 4.350 0.001 0.000 0.266 221 T C 1.024 175.724 174.700 0.001 0.000 1.037 221 T CA 1.110 63.247 62.100 0.062 0.000 1.146 221 T CB -0.562 68.343 68.868 0.062 0.000 0.865 221 T HN 0.745 nan 8.240 nan 0.000 0.435 222 N N 0.799 119.470 118.700 -0.047 0.000 2.705 222 N HA -0.297 4.444 4.740 0.001 0.000 0.255 222 N C -0.432 175.045 175.510 -0.054 0.000 1.008 222 N CA 0.080 53.077 53.050 -0.088 0.000 0.742 222 N CB -0.341 38.047 38.487 -0.165 0.000 0.906 222 N HN 0.243 nan 8.380 nan 0.000 0.541 223 R N -2.390 118.091 120.500 -0.031 0.000 4.000 223 R HA -0.237 4.104 4.340 0.001 0.000 0.348 223 R C 1.256 177.538 176.300 -0.030 0.000 1.204 223 R CA 1.683 57.767 56.100 -0.028 0.000 0.987 223 R CB -2.206 28.075 30.300 -0.033 0.000 1.446 223 R HN 1.071 nan 8.270 nan 0.000 0.555 224 G N -0.118 108.669 108.800 -0.021 0.000 2.231 224 G HA2 -0.281 3.680 3.960 0.001 0.000 0.206 224 G HA3 -0.281 3.680 3.960 0.001 0.000 0.206 224 G C -0.024 174.861 174.900 -0.025 0.000 0.996 224 G CA 0.133 45.222 45.100 -0.018 0.000 0.645 224 G HN 0.426 nan 8.290 nan 0.000 0.498 225 N N 1.216 119.887 118.700 -0.048 0.000 3.234 225 N HA 0.429 5.169 4.740 0.001 0.000 0.272 225 N C 0.253 175.719 175.510 -0.074 0.000 1.254 225 N CA -0.685 52.316 53.050 -0.081 0.000 1.087 225 N CB -0.069 38.366 38.487 -0.087 0.000 1.356 225 N HN 0.118 nan 8.380 nan 0.000 0.511 226 L N 2.098 123.305 121.223 -0.026 0.000 2.573 226 L HA -0.013 4.328 4.340 0.001 0.000 0.290 226 L C 0.667 177.606 176.870 0.115 0.000 1.247 226 L CA 1.172 56.058 54.840 0.076 0.000 0.876 226 L CB 0.110 42.306 42.059 0.227 0.000 1.123 226 L HN 0.379 nan 8.230 nan 0.000 0.505 227 R N 1.239 121.829 120.500 0.149 0.000 2.575 227 R HA 0.442 4.783 4.340 0.001 0.000 0.293 227 R C -0.673 175.792 176.300 0.276 0.000 0.983 227 R CA -0.708 55.511 56.100 0.199 0.000 0.887 227 R CB 1.744 32.021 30.300 -0.039 0.000 1.184 227 R HN 0.573 nan 8.270 nan 0.000 0.445 228 S N 1.471 117.360 115.700 0.316 0.000 2.533 228 S HA 0.447 4.917 4.470 0.001 0.000 0.282 228 S C -0.314 174.361 174.600 0.125 0.000 1.304 228 S CA -0.217 58.073 58.200 0.151 0.000 1.063 228 S CB 1.133 64.389 63.200 0.094 0.000 0.881 228 S HN 0.676 nan 8.310 nan 0.000 0.493 229 A N 3.008 125.862 122.820 0.057 0.000 2.594 229 A HA 0.812 5.133 4.320 0.001 0.000 0.295 229 A C -1.186 176.443 177.584 0.075 0.000 1.071 229 A CA -0.652 51.349 52.037 -0.060 0.000 0.685 229 A CB 1.228 20.126 19.000 -0.170 0.000 1.285 229 A HN 0.812 nan 8.150 nan 0.000 0.405 230 I N 0.818 121.417 120.570 0.049 0.000 2.656 230 I HA 0.606 4.776 4.170 0.001 0.000 0.292 230 I C -1.130 175.101 176.117 0.189 0.000 1.144 230 I CA -0.142 61.309 61.300 0.253 0.000 1.038 230 I CB 2.352 40.449 38.000 0.161 0.000 1.244 230 I HN 0.593 nan 8.210 nan 0.000 0.420 231 T N 6.537 121.240 114.554 0.248 0.000 2.772 231 T HA 0.413 4.763 4.350 0.001 0.000 0.288 231 T C -0.578 173.941 174.700 -0.301 0.000 0.994 231 T CA -0.345 61.735 62.100 -0.034 0.000 0.951 231 T CB 1.404 70.220 68.868 -0.088 0.000 0.933 231 T HN 0.271 nan 8.240 nan 0.000 0.447 232 V N 5.330 124.996 119.914 -0.413 0.000 2.333 232 V HA 0.436 4.556 4.120 0.001 0.000 0.274 232 V C -0.259 175.525 176.094 -0.516 0.000 1.028 232 V CA -0.736 61.323 62.300 -0.402 0.000 0.851 232 V CB -0.232 31.308 31.823 -0.472 0.000 1.000 232 V HN 0.707 nan 8.190 nan 0.000 0.456 233 F N 5.329 125.197 119.950 -0.136 0.000 2.362 233 F HA 0.481 5.008 4.527 0.001 0.000 0.311 233 F C -1.764 173.952 175.800 -0.140 0.000 1.161 233 F CA -2.391 55.473 58.000 -0.227 0.000 1.085 233 F CB 0.141 39.016 39.000 -0.209 0.000 1.311 233 F HN 0.294 nan 8.300 nan 0.000 0.524 234 P HA -0.020 nan 4.420 nan 0.000 0.264 234 P C -0.964 176.394 177.300 0.097 0.000 1.183 234 P CA -0.067 62.963 63.100 -0.117 0.000 0.763 234 P CB 0.197 31.607 31.700 -0.484 0.000 0.807 235 Q N 3.731 123.568 119.800 0.062 0.000 2.535 235 Q HA 0.142 4.483 4.340 0.001 0.000 0.228 235 Q C -0.255 175.676 176.000 -0.115 0.000 1.062 235 Q CA -0.297 55.312 55.803 -0.323 0.000 0.967 235 Q CB 0.545 28.847 28.738 -0.727 0.000 1.273 235 Q HN 0.349 nan 8.270 nan 0.000 0.554 236 R N 0.004 120.389 120.500 -0.192 0.000 2.490 236 R HA 0.485 4.826 4.340 0.001 0.000 0.280 236 R C -0.752 175.499 176.300 -0.081 0.000 1.077 236 R CA 0.005 56.065 56.100 -0.068 0.000 1.065 236 R CB 0.936 31.187 30.300 -0.081 0.000 1.003 236 R HN 0.701 nan 8.270 nan 0.000 0.470 237 A N 4.536 127.349 122.820 -0.011 0.000 2.355 237 A HA 0.527 4.848 4.320 0.001 0.000 0.317 237 A C -2.321 175.260 177.584 -0.006 0.000 1.094 237 A CA -1.911 50.121 52.037 -0.009 0.000 0.764 237 A CB 1.148 20.172 19.000 0.042 0.000 1.230 237 A HN 0.467 nan 8.150 nan 0.000 0.448 238 P HA 0.269 nan 4.420 nan 0.000 0.268 238 P C 0.717 178.020 177.300 0.005 0.000 1.204 238 P CA 1.415 64.511 63.100 -0.007 0.000 0.768 238 P CB 0.835 32.530 31.700 -0.008 0.000 0.842 239 G N 1.686 110.489 108.800 0.004 0.000 2.225 239 G HA2 -0.236 3.725 3.960 0.001 0.000 0.264 239 G HA3 -0.236 3.725 3.960 0.001 0.000 0.264 239 G C 0.029 174.935 174.900 0.010 0.000 1.060 239 G CA 0.073 45.178 45.100 0.008 0.000 0.833 239 G HN 0.882 nan 8.290 nan 0.000 0.498 240 R N -0.787 119.718 120.500 0.007 0.000 2.644 240 R HA 0.506 4.847 4.340 0.001 0.000 0.257 240 R C 0.713 177.012 176.300 -0.002 0.000 1.082 240 R CA -0.132 55.971 56.100 0.004 0.000 0.927 240 R CB 0.464 30.774 30.300 0.017 0.000 1.258 240 R HN 0.771 nan 8.270 nan 0.000 0.459 241 G N 1.446 110.235 108.800 -0.018 0.000 2.716 241 G HA2 0.106 4.067 3.960 0.001 0.000 0.251 241 G HA3 0.106 4.067 3.960 0.001 0.000 0.251 241 G C -0.555 174.332 174.900 -0.022 0.000 1.224 241 G CA -0.242 44.847 45.100 -0.018 0.000 0.891 241 G HN 0.580 nan 8.290 nan 0.000 0.561 242 D N -0.998 119.405 120.400 0.006 0.000 2.277 242 D HA 0.374 5.015 4.640 0.001 0.000 0.250 242 D C -0.495 175.826 176.300 0.034 0.000 1.032 242 D CA -0.153 53.883 54.000 0.059 0.000 0.947 242 D CB 1.228 42.080 40.800 0.086 0.000 1.159 242 D HN 0.102 nan 8.370 nan 0.000 0.460 243 F N 1.352 121.338 119.950 0.060 0.000 2.424 243 F HA 0.299 4.827 4.527 0.001 0.000 0.356 243 F C 0.980 176.813 175.800 0.054 0.000 1.110 243 F CA -0.002 58.020 58.000 0.036 0.000 1.161 243 F CB 0.606 39.626 39.000 0.033 0.000 1.115 243 F HN -0.212 nan 8.300 nan 0.000 0.507 244 R N 4.198 124.823 120.500 0.209 0.000 2.725 244 R HA 0.528 4.868 4.340 0.001 0.000 0.277 244 R C -1.178 175.274 176.300 0.254 0.000 0.987 244 R CA -0.876 55.368 56.100 0.240 0.000 0.901 244 R CB 2.315 32.803 30.300 0.313 0.000 1.207 244 R HN 0.616 nan 8.270 nan 0.000 0.463 245 I N 2.032 122.738 120.570 0.226 0.000 2.328 245 I HA 0.158 4.328 4.170 0.001 0.000 0.287 245 I C 0.471 176.797 176.117 0.348 0.000 1.012 245 I CA -0.445 60.977 61.300 0.204 0.000 1.195 245 I CB 1.124 39.182 38.000 0.096 0.000 1.350 245 I HN 0.515 nan 8.210 nan 0.000 0.464 246 W N 3.560 124.898 121.300 0.063 0.000 2.425 246 W HA -0.076 4.584 4.660 0.001 0.000 0.277 246 W C 0.860 177.478 176.519 0.164 0.000 1.231 246 W CA 0.005 57.453 57.345 0.170 0.000 1.248 246 W CB -0.893 28.638 29.460 0.119 0.000 1.117 246 W HN 0.411 nan 8.180 nan 0.000 0.568 247 N N -0.184 118.665 118.700 0.248 0.000 2.508 247 N HA 0.044 4.785 4.740 0.001 0.000 0.264 247 N C 1.295 176.856 175.510 0.085 0.000 1.216 247 N CA 0.736 53.856 53.050 0.116 0.000 0.943 247 N CB 0.861 39.358 38.487 0.016 0.000 1.113 247 N HN -0.134 nan 8.380 nan 0.000 0.447 248 S N 0.642 116.383 115.700 0.068 0.000 2.436 248 S HA -0.017 4.453 4.470 0.001 0.000 0.228 248 S C 0.307 174.891 174.600 -0.026 0.000 1.014 248 S CA 0.627 58.854 58.200 0.046 0.000 0.950 248 S CB 0.039 63.290 63.200 0.084 0.000 0.784 248 S HN 0.647 nan 8.310 nan 0.000 0.504 249 Q N -0.668 119.101 119.800 -0.052 0.000 2.416 249 Q HA 0.507 4.848 4.340 0.001 0.000 0.281 249 Q C 0.127 176.032 176.000 -0.158 0.000 1.067 249 Q CA -0.516 55.214 55.803 -0.121 0.000 0.809 249 Q CB 2.039 30.729 28.738 -0.079 0.000 1.418 249 Q HN 0.107 nan 8.270 nan 0.000 0.411 250 L N 0.180 121.286 121.223 -0.195 0.000 2.131 250 L HA -0.004 4.336 4.340 0.001 0.000 0.210 250 L C 0.391 177.112 176.870 -0.248 0.000 1.092 250 L CA 0.878 55.609 54.840 -0.182 0.000 0.759 250 L CB 0.074 42.026 42.059 -0.179 0.000 0.903 250 L HN 0.273 nan 8.230 nan 0.000 0.435 251 V N 0.585 120.259 119.914 -0.400 0.000 2.444 251 V HA 0.481 4.602 4.120 0.001 0.000 0.294 251 V C -0.202 175.338 176.094 -0.923 0.000 1.022 251 V CA -0.646 61.248 62.300 -0.676 0.000 0.850 251 V CB 1.626 32.913 31.823 -0.894 0.000 0.992 251 V HN 0.210 nan 8.190 nan 0.000 0.426 252 R N 2.656 122.750 120.500 -0.677 0.000 2.710 252 R HA 0.552 4.892 4.340 0.001 0.000 0.270 252 R C -1.913 174.148 176.300 -0.398 0.000 1.021 252 R CA -0.930 54.890 56.100 -0.465 0.000 0.889 252 R CB 2.468 32.672 30.300 -0.159 0.000 1.243 252 R HN 0.552 nan 8.270 nan 0.000 0.464 253 Y N 0.260 120.567 120.300 0.011 0.000 2.361 253 Y HA 0.486 5.036 4.550 0.001 0.000 0.332 253 Y C 0.771 176.645 175.900 -0.044 0.000 1.101 253 Y CA -0.662 57.454 58.100 0.028 0.000 1.137 253 Y CB 1.385 39.932 38.460 0.145 0.000 1.207 253 Y HN 0.701 nan 8.280 nan 0.000 0.463 254 A N 1.341 124.205 122.820 0.073 0.000 2.466 254 A HA 0.529 4.849 4.320 0.001 0.000 0.238 254 A C 0.590 177.946 177.584 -0.380 0.000 1.074 254 A CA 0.303 52.223 52.037 -0.195 0.000 0.774 254 A CB -0.309 18.533 19.000 -0.263 0.000 1.015 254 A HN 0.965 nan 8.150 nan 0.000 0.498 255 G N 0.668 109.231 108.800 -0.395 0.000 2.814 255 G HA2 0.526 4.487 3.960 0.001 0.000 0.300 255 G HA3 0.526 4.487 3.960 0.001 0.000 0.300 255 G C -0.924 173.823 174.900 -0.256 0.000 1.406 255 G CA -0.275 44.641 45.100 -0.306 0.000 1.041 255 G HN 0.579 nan 8.290 nan 0.000 0.532 256 Y N 1.553 121.871 120.300 0.030 0.000 2.425 256 Y HA 0.310 4.860 4.550 0.001 0.000 0.347 256 Y C 1.234 177.136 175.900 0.003 0.000 0.976 256 Y CA -0.939 57.176 58.100 0.026 0.000 1.190 256 Y CB 1.383 39.854 38.460 0.018 0.000 1.136 256 Y HN 0.436 nan 8.280 nan 0.000 0.517 257 R N 3.521 124.109 120.500 0.146 0.000 3.206 257 R HA 0.014 4.354 4.340 0.001 0.000 0.209 257 R C -0.310 176.032 176.300 0.070 0.000 1.632 257 R CA 0.011 56.158 56.100 0.079 0.000 1.234 257 R CB -0.224 30.110 30.300 0.057 0.000 1.270 257 R HN 0.669 nan 8.270 nan 0.000 0.665 258 Q N 3.497 123.339 119.800 0.069 0.000 2.244 258 Q HA -0.139 4.202 4.340 0.001 0.000 0.276 258 Q C 0.869 176.883 176.000 0.023 0.000 1.122 258 Q CA 0.229 56.057 55.803 0.042 0.000 0.920 258 Q CB 0.779 29.540 28.738 0.039 0.000 1.186 258 Q HN 0.665 nan 8.270 nan 0.000 0.393 259 Q N 2.517 122.326 119.800 0.014 0.000 2.689 259 Q HA -0.390 3.950 4.340 0.001 0.000 0.242 259 Q C -0.034 175.971 176.000 0.009 0.000 1.516 259 Q CA 2.568 58.375 55.803 0.007 0.000 1.021 259 Q CB -1.250 27.488 28.738 -0.000 0.000 0.880 259 Q HN 0.786 nan 8.270 nan 0.000 0.589 260 D N 1.387 121.792 120.400 0.008 0.000 2.396 260 D HA 0.195 4.836 4.640 0.001 0.000 0.255 260 D C 1.388 177.695 176.300 0.010 0.000 1.224 260 D CA 0.970 54.975 54.000 0.008 0.000 0.894 260 D CB 0.003 40.806 40.800 0.006 0.000 0.939 260 D HN 0.754 nan 8.370 nan 0.000 0.506 261 G N 1.294 110.102 108.800 0.014 0.000 2.347 261 G HA2 -0.372 3.589 3.960 0.001 0.000 0.247 261 G HA3 -0.372 3.589 3.960 0.001 0.000 0.247 261 G C 0.704 175.613 174.900 0.015 0.000 1.037 261 G CA 0.545 45.654 45.100 0.015 0.000 0.622 261 G HN 0.625 nan 8.290 nan 0.000 0.521 262 S N -0.615 115.093 115.700 0.013 0.000 2.580 262 S HA 0.571 5.041 4.470 0.001 0.000 0.266 262 S C 0.014 174.621 174.600 0.012 0.000 1.354 262 S CA 0.220 58.426 58.200 0.010 0.000 1.008 262 S CB 2.152 65.357 63.200 0.009 0.000 0.898 262 S HN 1.230 nan 8.310 nan 0.000 0.555 263 V N 1.662 121.573 119.914 -0.004 0.000 2.525 263 V HA 0.470 4.590 4.120 0.001 0.000 0.299 263 V C 0.082 176.156 176.094 -0.033 0.000 1.034 263 V CA -0.786 61.508 62.300 -0.011 0.000 0.863 263 V CB 1.501 33.300 31.823 -0.041 0.000 0.999 263 V HN 0.953 nan 8.190 nan 0.000 0.423 264 R N 3.256 123.770 120.500 0.024 0.000 2.234 264 R HA 0.630 4.970 4.340 0.001 0.000 0.324 264 R C 0.684 176.947 176.300 -0.063 0.000 1.054 264 R CA 1.101 57.216 56.100 0.025 0.000 0.912 264 R CB 0.594 30.978 30.300 0.141 0.000 1.030 264 R HN 1.184 nan 8.270 nan 0.000 0.455 265 G N 3.069 111.750 108.800 -0.198 0.000 2.443 265 G HA2 -0.233 3.728 3.960 0.001 0.000 0.209 265 G HA3 -0.233 3.728 3.960 0.001 0.000 0.209 265 G C -1.396 173.111 174.900 -0.655 0.000 1.176 265 G CA -0.174 44.730 45.100 -0.328 0.000 1.074 265 G HN 0.620 nan 8.290 nan 0.000 0.577 266 D N 1.588 121.725 120.400 -0.439 0.000 2.396 266 D HA 0.575 5.216 4.640 0.001 0.000 0.225 266 D C -1.131 175.045 176.300 -0.207 0.000 1.121 266 D CA -2.009 51.746 54.000 -0.408 0.000 0.853 266 D CB 1.533 42.385 40.800 0.087 0.000 1.043 266 D HN -0.019 nan 8.370 nan 0.000 0.500 267 P HA -0.086 nan 4.420 nan 0.000 0.221 267 P C 0.767 178.058 177.300 -0.015 0.000 1.145 267 P CA 0.842 63.888 63.100 -0.090 0.000 0.795 267 P CB 0.309 31.965 31.700 -0.073 0.000 0.775 268 A N -0.864 121.962 122.820 0.009 0.000 2.167 268 A HA -0.050 4.271 4.320 0.001 0.000 0.214 268 A C 1.455 179.079 177.584 0.066 0.000 1.151 268 A CA 1.043 53.121 52.037 0.067 0.000 0.735 268 A CB -0.679 18.381 19.000 0.100 0.000 0.802 268 A HN 0.126 nan 8.150 nan 0.000 0.467 269 N N -0.416 118.303 118.700 0.031 0.000 2.275 269 N HA 0.158 4.898 4.740 0.001 0.000 0.236 269 N C 0.995 176.495 175.510 -0.017 0.000 1.154 269 N CA 0.083 53.142 53.050 0.015 0.000 0.866 269 N CB 0.758 39.251 38.487 0.010 0.000 1.093 269 N HN 0.163 nan 8.380 nan 0.000 0.515 270 V N 0.823 120.733 119.914 -0.007 0.000 2.295 270 V HA -0.216 3.905 4.120 0.001 0.000 0.246 270 V C 2.410 178.504 176.094 -0.000 0.000 1.049 270 V CA 1.753 64.051 62.300 -0.003 0.000 1.024 270 V CB -0.214 31.616 31.823 0.013 0.000 0.648 270 V HN 0.384 nan 8.190 nan 0.000 0.447 271 E N -0.330 119.870 120.200 -0.001 0.000 2.051 271 E HA -0.263 4.088 4.350 0.001 0.000 0.192 271 E C 2.155 178.665 176.600 -0.150 0.000 0.991 271 E CA 1.736 58.108 56.400 -0.047 0.000 0.799 271 E CB -0.166 29.542 29.700 0.013 0.000 0.748 271 E HN 0.482 nan 8.360 nan 0.000 0.449 272 I N 0.722 121.212 120.570 -0.134 0.000 2.361 272 I HA -0.203 3.968 4.170 0.001 0.000 0.251 272 I C 2.050 178.102 176.117 -0.108 0.000 1.133 272 I CA 1.494 62.685 61.300 -0.181 0.000 1.413 272 I CB -0.260 37.689 38.000 -0.085 0.000 1.073 272 I HN 0.076 nan 8.210 nan 0.000 0.424 273 T N 0.513 115.039 114.554 -0.047 0.000 2.821 273 T HA -0.094 4.257 4.350 0.001 0.000 0.267 273 T C 1.764 176.542 174.700 0.131 0.000 1.046 273 T CA 1.247 63.373 62.100 0.044 0.000 1.139 273 T CB -0.169 68.733 68.868 0.057 0.000 0.871 273 T HN 0.350 nan 8.240 nan 0.000 0.454 274 E N 1.226 121.465 120.200 0.065 0.000 2.106 274 E HA 0.008 4.359 4.350 0.001 0.000 0.192 274 E C 2.295 178.931 176.600 0.061 0.000 0.984 274 E CA 0.674 57.117 56.400 0.073 0.000 0.806 274 E CB -0.399 29.318 29.700 0.027 0.000 0.750 274 E HN 0.462 nan 8.360 nan 0.000 0.458 275 L N 0.120 121.337 121.223 -0.010 0.000 2.093 275 L HA -0.178 4.163 4.340 0.001 0.000 0.208 275 L C 2.663 179.620 176.870 0.145 0.000 1.085 275 L CA 0.771 55.634 54.840 0.038 0.000 0.755 275 L CB -0.382 41.599 42.059 -0.129 0.000 0.904 275 L HN 0.177 nan 8.230 nan 0.000 0.435 276 C N -0.042 119.300 119.300 0.070 0.000 2.429 276 C HA -0.141 4.320 4.460 0.001 0.000 0.277 276 C C 2.717 177.867 174.990 0.266 0.000 1.262 276 C CA 0.478 59.545 59.018 0.081 0.000 1.733 276 C CB -0.588 27.104 27.740 -0.081 0.000 2.010 276 C HN 0.424 nan 8.230 nan 0.000 0.483 277 I N 0.451 121.210 120.570 0.314 0.000 2.315 277 I HA -0.253 3.918 4.170 0.001 0.000 0.248 277 I C 2.764 178.961 176.117 0.133 0.000 1.117 277 I CA 1.501 62.955 61.300 0.257 0.000 1.404 277 I CB -0.691 37.427 38.000 0.197 0.000 1.071 277 I HN 0.474 nan 8.210 nan 0.000 0.419 278 Q N 0.649 120.515 119.800 0.110 0.000 2.170 278 Q HA -0.229 4.112 4.340 0.001 0.000 0.203 278 Q C 0.907 176.846 176.000 -0.100 0.000 0.976 278 Q CA 1.593 57.400 55.803 0.006 0.000 0.858 278 Q CB 0.022 28.769 28.738 0.016 0.000 0.907 278 Q HN 0.587 nan 8.270 nan 0.000 0.433 279 H N -1.616 117.445 119.070 -0.016 0.000 2.550 279 H HA 0.300 4.857 4.556 0.001 0.000 0.304 279 H C 0.556 175.859 175.328 -0.043 0.000 1.086 279 H CA 0.574 56.584 56.048 -0.062 0.000 1.089 279 H CB 0.706 30.387 29.762 -0.135 0.000 1.528 279 H HN 0.474 nan 8.280 nan 0.000 0.539 280 G N -0.300 108.539 108.800 0.065 0.000 2.175 280 G HA2 -0.281 3.680 3.960 0.001 0.000 0.244 280 G HA3 -0.281 3.680 3.960 0.001 0.000 0.244 280 G C 0.089 175.060 174.900 0.118 0.000 0.982 280 G CA -0.111 45.019 45.100 0.050 0.000 0.641 280 G HN 0.420 nan 8.290 nan 0.000 0.527 281 W N 3.403 124.684 121.300 -0.032 0.000 2.253 281 W HA 0.545 5.205 4.660 0.001 0.000 0.322 281 W C 0.986 177.499 176.519 -0.011 0.000 1.342 281 W CA 0.257 57.588 57.345 -0.024 0.000 1.218 281 W CB 0.630 30.087 29.460 -0.005 0.000 1.205 281 W HN 0.483 nan 8.180 nan 0.000 0.551 282 T N 7.000 121.294 114.554 -0.433 0.000 2.747 282 T HA 0.372 4.723 4.350 0.001 0.000 0.301 282 T C -2.005 172.013 174.700 -1.137 0.000 0.952 282 T CA -1.709 60.072 62.100 -0.533 0.000 0.983 282 T CB 0.719 69.410 68.868 -0.296 0.000 0.930 282 T HN 0.337 nan 8.240 nan 0.000 0.494 283 P HA 0.341 nan 4.420 nan 0.000 0.272 283 P C 0.568 177.417 177.300 -0.751 0.000 1.240 283 P CA -0.160 62.097 63.100 -1.405 0.000 0.791 283 P CB 0.807 32.076 31.700 -0.719 0.000 0.978 284 G N 0.544 109.063 108.800 -0.470 0.000 2.782 284 G HA2 0.304 4.265 3.960 0.001 0.000 0.201 284 G HA3 0.304 4.265 3.960 0.001 0.000 0.201 284 G C 0.284 174.909 174.900 -0.458 0.000 1.374 284 G CA -0.449 44.509 45.100 -0.237 0.000 1.039 284 G HN 0.720 nan 8.290 nan 0.000 0.576 285 N N -0.837 117.754 118.700 -0.182 0.000 2.261 285 N HA 0.168 4.909 4.740 0.001 0.000 0.241 285 N C 0.382 175.942 175.510 0.083 0.000 1.374 285 N CA 0.184 53.115 53.050 -0.199 0.000 0.802 285 N CB 0.319 38.693 38.487 -0.189 0.000 1.339 285 N HN 0.673 nan 8.380 nan 0.000 0.498 286 G N 0.515 109.449 108.800 0.223 0.000 2.531 286 G HA2 0.379 4.339 3.960 0.001 0.000 0.313 286 G HA3 0.379 4.339 3.960 0.001 0.000 0.313 286 G C 0.531 175.537 174.900 0.176 0.000 1.238 286 G CA -0.629 44.583 45.100 0.188 0.000 0.994 286 G HN 0.123 nan 8.290 nan 0.000 0.493 287 R N -1.262 119.260 120.500 0.038 0.000 2.246 287 R HA 0.134 4.475 4.340 0.001 0.000 0.199 287 R C -0.152 175.814 176.300 -0.558 0.000 0.984 287 R CA 0.605 56.568 56.100 -0.228 0.000 1.015 287 R CB 0.205 30.298 30.300 -0.345 0.000 0.930 287 R HN 0.394 nan 8.270 nan 0.000 0.475 288 F N 1.016 120.919 119.950 -0.077 0.000 2.577 288 F HA 0.251 4.779 4.527 0.001 0.000 0.342 288 F C -0.714 175.061 175.800 -0.042 0.000 1.479 288 F CA -1.032 56.673 58.000 -0.491 0.000 1.110 288 F CB 0.746 39.273 39.000 -0.788 0.000 1.306 288 F HN -0.285 nan 8.300 nan 0.000 0.554 289 D N 1.716 122.308 120.400 0.320 0.000 2.347 289 D HA 0.190 4.831 4.640 0.001 0.000 0.235 289 D C 0.195 176.770 176.300 0.457 0.000 1.149 289 D CA 0.086 54.335 54.000 0.415 0.000 0.850 289 D CB 1.968 43.059 40.800 0.484 0.000 1.061 289 D HN -0.044 nan 8.370 nan 0.000 0.487 290 V N 3.726 123.876 119.914 0.394 0.000 2.557 290 V HA -0.055 4.066 4.120 0.001 0.000 0.301 290 V C 1.078 177.184 176.094 0.020 0.000 1.026 290 V CA -0.039 62.349 62.300 0.147 0.000 1.137 290 V CB 0.130 31.991 31.823 0.063 0.000 0.917 290 V HN 0.356 nan 8.190 nan 0.000 0.484 291 L N 8.058 129.186 121.223 -0.158 0.000 2.436 291 L HA 0.382 4.723 4.340 0.001 0.000 0.265 291 L C -1.644 174.982 176.870 -0.406 0.000 1.168 291 L CA -1.386 53.215 54.840 -0.398 0.000 0.815 291 L CB 1.162 43.010 42.059 -0.353 0.000 1.109 291 L HN 0.506 nan 8.230 nan 0.000 0.462 292 P HA 0.281 nan 4.420 nan 0.000 0.280 292 P C -1.184 175.939 177.300 -0.294 0.000 1.272 292 P CA -0.568 62.275 63.100 -0.428 0.000 0.819 292 P CB 1.177 32.497 31.700 -0.634 0.000 1.122 293 L N 0.659 121.791 121.223 -0.153 0.000 2.325 293 L HA 0.430 4.771 4.340 0.001 0.000 0.279 293 L C 0.395 177.217 176.870 -0.081 0.000 1.054 293 L CA -0.814 53.984 54.840 -0.069 0.000 0.804 293 L CB 0.772 42.858 42.059 0.046 0.000 1.200 293 L HN 0.201 nan 8.230 nan 0.000 0.436 294 L N 4.753 125.925 121.223 -0.085 0.000 2.337 294 L HA 0.459 4.800 4.340 0.001 0.000 0.269 294 L C -0.675 176.096 176.870 -0.165 0.000 1.018 294 L CA -0.261 54.446 54.840 -0.221 0.000 0.876 294 L CB 0.996 42.859 42.059 -0.327 0.000 1.236 294 L HN 0.440 nan 8.230 nan 0.000 0.436 295 L N 3.508 124.685 121.223 -0.076 0.000 2.325 295 L HA 0.520 4.861 4.340 0.001 0.000 0.279 295 L C -0.213 176.579 176.870 -0.131 0.000 1.054 295 L CA -0.389 54.425 54.840 -0.043 0.000 0.804 295 L CB 1.695 43.765 42.059 0.018 0.000 1.200 295 L HN 0.561 nan 8.230 nan 0.000 0.436 296 Q N 2.251 121.994 119.800 -0.094 0.000 2.292 296 Q HA 0.650 4.991 4.340 0.001 0.000 0.270 296 Q C -1.274 174.668 176.000 -0.097 0.000 1.024 296 Q CA -0.566 55.172 55.803 -0.109 0.000 0.768 296 Q CB 2.245 30.955 28.738 -0.048 0.000 1.250 296 Q HN 0.796 nan 8.270 nan 0.000 0.447 297 A N 4.799 127.517 122.820 -0.170 0.000 2.286 297 A HA 0.672 4.993 4.320 0.001 0.000 0.286 297 A C -2.429 174.894 177.584 -0.436 0.000 1.097 297 A CA -1.602 50.184 52.037 -0.419 0.000 0.821 297 A CB 0.137 18.997 19.000 -0.235 0.000 1.076 297 A HN 0.621 nan 8.150 nan 0.000 0.490 298 P HA -0.003 nan 4.420 nan 0.000 0.261 298 P C -0.592 176.602 177.300 -0.176 0.000 1.165 298 P CA 0.832 63.713 63.100 -0.365 0.000 0.759 298 P CB 0.112 31.587 31.700 -0.374 0.000 0.772 299 D N -0.065 120.282 120.400 -0.089 0.000 2.792 299 D HA -0.189 4.451 4.640 0.001 0.000 0.231 299 D C 0.009 176.290 176.300 -0.032 0.000 1.160 299 D CA 1.330 55.308 54.000 -0.036 0.000 0.697 299 D CB -0.500 40.283 40.800 -0.028 0.000 1.070 299 D HN 0.455 nan 8.370 nan 0.000 0.426 300 E N -0.701 119.470 120.200 -0.047 0.000 2.277 300 E HA 0.672 5.023 4.350 0.001 0.000 0.266 300 E C -0.005 176.571 176.600 -0.041 0.000 0.901 300 E CA -0.776 55.597 56.400 -0.045 0.000 0.782 300 E CB 1.744 31.402 29.700 -0.070 0.000 1.228 300 E HN 0.131 nan 8.360 nan 0.000 0.424 301 A N 3.153 125.949 122.820 -0.040 0.000 2.445 301 A HA 0.364 4.685 4.320 0.001 0.000 0.242 301 A C -2.002 175.464 177.584 -0.196 0.000 1.075 301 A CA -0.885 51.116 52.037 -0.059 0.000 0.777 301 A CB -0.464 18.529 19.000 -0.010 0.000 1.013 301 A HN 0.286 nan 8.150 nan 0.000 0.493 302 P HA 0.172 nan 4.420 nan 0.000 0.271 302 P C -0.654 176.374 177.300 -0.452 0.000 1.216 302 P CA 0.151 62.850 63.100 -0.669 0.000 0.776 302 P CB 0.736 31.515 31.700 -1.535 0.000 0.881 303 E N 1.012 121.016 120.200 -0.327 0.000 2.191 303 E HA 0.399 4.750 4.350 0.001 0.000 0.274 303 E C -0.664 175.621 176.600 -0.524 0.000 0.948 303 E CA -1.051 55.128 56.400 -0.368 0.000 0.802 303 E CB 1.273 30.798 29.700 -0.292 0.000 1.137 303 E HN 0.292 nan 8.360 nan 0.000 0.397 304 L N 3.228 124.065 121.223 -0.643 0.000 2.292 304 L HA 0.404 4.745 4.340 0.001 0.000 0.284 304 L C -1.553 174.761 176.870 -0.926 0.000 1.065 304 L CA 0.214 54.714 54.840 -0.566 0.000 0.806 304 L CB 0.102 41.970 42.059 -0.319 0.000 1.175 304 L HN 0.417 nan 8.230 nan 0.000 0.431 305 F N 4.390 124.109 119.950 -0.384 0.000 2.579 305 F HA 0.408 4.936 4.527 0.001 0.000 0.325 305 F C -0.320 175.216 175.800 -0.440 0.000 1.162 305 F CA -0.921 56.705 58.000 -0.623 0.000 0.946 305 F CB 1.757 40.030 39.000 -1.210 0.000 1.211 305 F HN 0.015 nan 8.300 nan 0.000 0.447 306 V N 5.067 124.901 119.914 -0.132 0.000 2.432 306 V HA 0.191 4.312 4.120 0.001 0.000 0.271 306 V C 0.342 176.536 176.094 0.167 0.000 1.046 306 V CA -0.583 61.724 62.300 0.011 0.000 0.945 306 V CB 0.907 32.775 31.823 0.075 0.000 0.992 306 V HN 0.548 nan 8.190 nan 0.000 0.471 307 L N 7.794 129.128 121.223 0.186 0.000 2.455 307 L HA 0.231 4.571 4.340 0.001 0.000 0.272 307 L C -2.011 174.964 176.870 0.175 0.000 1.174 307 L CA -1.366 53.626 54.840 0.252 0.000 0.869 307 L CB 0.396 42.534 42.059 0.131 0.000 1.130 307 L HN 0.446 nan 8.230 nan 0.000 0.474 308 P HA 0.069 nan 4.420 nan 0.000 0.267 308 P C -2.042 175.305 177.300 0.078 0.000 1.209 308 P CA -0.942 62.225 63.100 0.112 0.000 0.763 308 P CB 0.389 32.138 31.700 0.081 0.000 0.816 309 P HA -0.222 nan 4.420 nan 0.000 0.218 309 P C 1.283 178.613 177.300 0.049 0.000 1.146 309 P CA 1.268 64.408 63.100 0.067 0.000 0.813 309 P CB -0.130 31.614 31.700 0.073 0.000 0.778 310 E N -0.691 119.534 120.200 0.041 0.000 2.418 310 E HA -0.104 4.247 4.350 0.001 0.000 0.197 310 E C 1.504 178.117 176.600 0.021 0.000 1.026 310 E CA 0.863 57.280 56.400 0.028 0.000 0.862 310 E CB -0.820 28.894 29.700 0.023 0.000 0.799 310 E HN 0.234 nan 8.360 nan 0.000 0.518 311 L N 0.930 122.167 121.223 0.023 0.000 2.307 311 L HA 0.074 4.415 4.340 0.001 0.000 0.211 311 L C 0.704 177.586 176.870 0.020 0.000 1.099 311 L CA 0.519 55.367 54.840 0.014 0.000 0.816 311 L CB 0.514 42.574 42.059 0.001 0.000 0.952 311 L HN -0.115 nan 8.230 nan 0.000 0.455 312 V N 1.641 121.570 119.914 0.024 0.000 2.353 312 V HA 0.174 4.295 4.120 0.001 0.000 0.264 312 V C -0.086 176.032 176.094 0.040 0.000 1.049 312 V CA -0.691 61.622 62.300 0.021 0.000 0.896 312 V CB 0.937 32.764 31.823 0.006 0.000 1.025 312 V HN -0.012 nan 8.190 nan 0.000 0.475 313 L N 5.936 127.190 121.223 0.051 0.000 2.319 313 L HA 0.491 4.831 4.340 0.001 0.000 0.280 313 L C 0.093 177.004 176.870 0.068 0.000 1.099 313 L CA 0.658 55.524 54.840 0.044 0.000 0.828 313 L CB 0.629 42.709 42.059 0.035 0.000 1.150 313 L HN 0.675 nan 8.230 nan 0.000 0.442 314 E N 3.331 123.549 120.200 0.031 0.000 2.288 314 E HA 0.575 4.925 4.350 0.001 0.000 0.268 314 E C -1.472 175.080 176.600 -0.080 0.000 0.885 314 E CA -0.965 55.455 56.400 0.033 0.000 0.767 314 E CB 2.510 32.257 29.700 0.078 0.000 1.220 314 E HN 0.379 nan 8.360 nan 0.000 0.427 315 V N 3.617 123.449 119.914 -0.136 0.000 2.378 315 V HA 0.324 4.445 4.120 0.001 0.000 0.288 315 V C -2.255 173.775 176.094 -0.107 0.000 1.016 315 V CA -1.858 60.291 62.300 -0.252 0.000 0.840 315 V CB 1.263 32.656 31.823 -0.716 0.000 0.994 315 V HN 0.549 nan 8.190 nan 0.000 0.431 316 P HA 0.298 nan 4.420 nan 0.000 0.281 316 P C -0.708 176.596 177.300 0.006 0.000 1.252 316 P CA -0.201 62.869 63.100 -0.050 0.000 0.778 316 P CB 1.211 32.887 31.700 -0.040 0.000 0.895 317 L N 3.648 124.909 121.223 0.064 0.000 2.326 317 L HA 0.406 4.746 4.340 0.001 0.000 0.278 317 L C 1.132 178.139 176.870 0.228 0.000 1.092 317 L CA -0.047 54.887 54.840 0.157 0.000 0.810 317 L CB 0.373 42.586 42.059 0.257 0.000 1.153 317 L HN 0.525 nan 8.230 nan 0.000 0.439 318 E N 1.523 121.818 120.200 0.159 0.000 2.413 318 E HA 0.362 4.713 4.350 0.001 0.000 0.277 318 E C -1.383 175.194 176.600 -0.039 0.000 0.958 318 E CA -0.954 55.545 56.400 0.166 0.000 0.779 318 E CB 1.970 31.755 29.700 0.142 0.000 1.278 318 E HN 0.471 nan 8.360 nan 0.000 0.456 319 H N 1.933 120.835 119.070 -0.281 0.000 2.467 319 H HA 0.225 4.782 4.556 0.001 0.000 0.331 319 H C -1.654 173.371 175.328 -0.505 0.000 1.120 319 H CA -2.155 53.587 56.048 -0.511 0.000 1.270 319 H CB 1.932 31.320 29.762 -0.623 0.000 1.466 319 H HN 0.451 nan 8.280 nan 0.000 0.504 320 P HA -0.094 nan 4.420 nan 0.000 0.222 320 P C 0.860 177.972 177.300 -0.313 0.000 1.147 320 P CA 1.394 63.956 63.100 -0.896 0.000 0.790 320 P CB 0.479 31.622 31.700 -0.928 0.000 0.780 321 T N -4.743 109.795 114.554 -0.027 0.000 3.010 321 T HA 0.205 4.556 4.350 0.001 0.000 0.253 321 T C 0.760 175.442 174.700 -0.031 0.000 0.939 321 T CA -0.206 61.904 62.100 0.016 0.000 0.910 321 T CB -0.507 68.384 68.868 0.037 0.000 1.226 321 T HN -0.062 nan 8.240 nan 0.000 0.508 322 L N 2.803 123.957 121.223 -0.115 0.000 2.328 322 L HA 0.423 4.764 4.340 0.001 0.000 0.280 322 L C 1.201 177.703 176.870 -0.614 0.000 1.111 322 L CA -0.440 54.053 54.840 -0.578 0.000 0.909 322 L CB 0.490 41.827 42.059 -1.203 0.000 1.277 322 L HN 0.218 nan 8.230 nan 0.000 0.433 323 E N 3.048 123.058 120.200 -0.317 0.000 2.114 323 E HA -0.247 4.103 4.350 0.001 0.000 0.199 323 E C 1.587 178.122 176.600 -0.109 0.000 1.008 323 E CA 2.075 58.395 56.400 -0.134 0.000 0.810 323 E CB -0.059 29.646 29.700 0.009 0.000 0.739 323 E HN 0.824 nan 8.360 nan 0.000 0.456 324 W N 0.110 121.460 121.300 0.082 0.000 2.699 324 W HA -0.010 4.651 4.660 0.001 0.000 0.249 324 W C 1.465 178.036 176.519 0.087 0.000 1.280 324 W CA -0.180 57.204 57.345 0.064 0.000 1.345 324 W CB -0.830 28.644 29.460 0.024 0.000 1.128 324 W HN -0.022 nan 8.180 nan 0.000 0.642 325 F N 2.939 122.570 119.950 -0.532 0.000 2.102 325 F HA -0.116 4.411 4.527 0.001 0.000 0.298 325 F C 2.750 178.547 175.800 -0.005 0.000 1.105 325 F CA 3.138 60.959 58.000 -0.299 0.000 1.239 325 F CB -0.576 38.151 39.000 -0.454 0.000 0.991 325 F HN -0.085 nan 8.300 nan 0.000 0.474 326 A N 0.141 123.102 122.820 0.235 0.000 2.032 326 A HA -0.158 4.162 4.320 0.001 0.000 0.221 326 A C 2.229 179.880 177.584 0.111 0.000 1.165 326 A CA 1.608 53.754 52.037 0.182 0.000 0.645 326 A CB -1.469 17.607 19.000 0.126 0.000 0.807 326 A HN 0.475 nan 8.150 nan 0.000 0.453 327 A N -0.663 122.225 122.820 0.113 0.000 2.172 327 A HA 0.138 4.459 4.320 0.001 0.000 0.216 327 A C 1.886 179.516 177.584 0.076 0.000 1.154 327 A CA 0.952 53.050 52.037 0.101 0.000 0.701 327 A CB -0.506 18.575 19.000 0.135 0.000 0.789 327 A HN 0.490 nan 8.150 nan 0.000 0.465 328 L N -1.192 120.053 121.223 0.036 0.000 2.465 328 L HA 0.028 4.369 4.340 0.001 0.000 0.224 328 L C 1.824 178.723 176.870 0.048 0.000 1.145 328 L CA 0.662 55.499 54.840 -0.004 0.000 0.834 328 L CB -0.374 41.581 42.059 -0.174 0.000 0.944 328 L HN 0.577 nan 8.230 nan 0.000 0.451 329 G N 0.507 109.340 108.800 0.055 0.000 2.179 329 G HA2 -0.287 3.673 3.960 0.001 0.000 0.257 329 G HA3 -0.287 3.673 3.960 0.001 0.000 0.257 329 G C 0.203 175.126 174.900 0.037 0.000 1.010 329 G CA 0.031 45.172 45.100 0.067 0.000 0.736 329 G HN 0.256 nan 8.290 nan 0.000 0.513 330 L N -0.316 120.908 121.223 0.002 0.000 2.439 330 L HA 0.809 5.150 4.340 0.001 0.000 0.261 330 L C 1.088 177.769 176.870 -0.315 0.000 1.153 330 L CA -0.542 54.223 54.840 -0.126 0.000 0.808 330 L CB 0.916 43.011 42.059 0.060 0.000 1.126 330 L HN 0.570 nan 8.230 nan 0.000 0.460 331 R N 1.050 121.163 120.500 -0.644 0.000 2.728 331 R HA 0.437 4.777 4.340 0.001 0.000 0.274 331 R C -2.286 173.928 176.300 -0.144 0.000 1.032 331 R CA -1.015 54.860 56.100 -0.375 0.000 0.866 331 R CB 1.457 31.478 30.300 -0.464 0.000 1.263 331 R HN 0.676 nan 8.270 nan 0.000 0.475 332 W N 2.247 123.492 121.300 -0.092 0.000 3.217 332 W HA 0.340 5.001 4.660 0.001 0.000 0.323 332 W C -1.049 175.568 176.519 0.164 0.000 1.216 332 W CA -0.998 56.392 57.345 0.074 0.000 1.194 332 W CB 1.936 31.369 29.460 -0.046 0.000 1.397 332 W HN 0.704 nan 8.180 nan 0.000 0.537 333 Y N 1.298 121.525 120.300 -0.121 0.000 2.357 333 Y HA 0.487 5.037 4.550 0.001 0.000 0.340 333 Y C 0.819 176.956 175.900 0.395 0.000 1.260 333 Y CA 0.345 58.465 58.100 0.033 0.000 1.425 333 Y CB 0.116 38.468 38.460 -0.180 0.000 1.326 333 Y HN 0.344 nan 8.280 nan 0.000 0.580 334 A N 1.806 124.911 122.820 0.476 0.000 1.975 334 A HA 0.100 4.421 4.320 0.001 0.000 0.215 334 A C 0.468 178.388 177.584 0.560 0.000 1.170 334 A CA 0.273 52.633 52.037 0.539 0.000 0.656 334 A CB -0.254 18.898 19.000 0.254 0.000 0.821 334 A HN 0.656 nan 8.150 nan 0.000 0.449 335 L N 2.016 123.522 121.223 0.473 0.000 2.262 335 L HA 0.417 4.758 4.340 0.001 0.000 0.288 335 L C -2.569 174.435 176.870 0.223 0.000 1.035 335 L CA -2.229 52.782 54.840 0.284 0.000 0.820 335 L CB 1.494 43.655 42.059 0.169 0.000 1.204 335 L HN -0.031 nan 8.230 nan 0.000 0.424 336 P HA 0.300 nan 4.420 nan 0.000 0.284 336 P C -1.356 175.843 177.300 -0.170 0.000 1.432 336 P CA -0.309 62.654 63.100 -0.229 0.000 0.929 336 P CB 1.160 32.349 31.700 -0.852 0.000 1.158 337 A N 4.605 127.336 122.820 -0.149 0.000 2.360 337 A HA 0.410 4.731 4.320 0.001 0.000 0.309 337 A C -0.069 177.289 177.584 -0.376 0.000 1.311 337 A CA -0.673 51.206 52.037 -0.264 0.000 0.805 337 A CB 0.667 19.532 19.000 -0.225 0.000 1.144 337 A HN 0.298 nan 8.150 nan 0.000 0.486 338 V N 3.103 122.631 119.914 -0.643 0.000 2.470 338 V HA 0.229 4.349 4.120 0.001 0.000 0.276 338 V C 1.180 176.828 176.094 -0.743 0.000 1.040 338 V CA 1.106 62.981 62.300 -0.709 0.000 1.008 338 V CB 0.951 32.199 31.823 -0.958 0.000 0.990 338 V HN 1.056 nan 8.190 nan 0.000 0.477 339 S N 1.878 117.366 115.700 -0.353 0.000 2.701 339 S HA 0.058 4.529 4.470 0.001 0.000 0.242 339 S C 0.794 175.365 174.600 -0.049 0.000 1.025 339 S CA 0.030 58.114 58.200 -0.192 0.000 1.016 339 S CB -0.393 62.736 63.200 -0.119 0.000 0.977 339 S HN 0.901 nan 8.310 nan 0.000 0.546 340 N N 0.424 119.101 118.700 -0.038 0.000 2.205 340 N HA 0.269 5.010 4.740 0.001 0.000 0.201 340 N C 0.227 175.787 175.510 0.083 0.000 1.128 340 N CA -0.447 52.627 53.050 0.040 0.000 0.867 340 N CB 0.091 38.607 38.487 0.048 0.000 0.996 340 N HN 0.292 nan 8.380 nan 0.000 0.503 341 M N 1.368 121.032 119.600 0.106 0.000 2.359 341 M HA 0.314 4.795 4.480 0.001 0.000 0.322 341 M C -0.558 175.885 176.300 0.239 0.000 1.166 341 M CA -0.773 54.635 55.300 0.180 0.000 1.067 341 M CB 2.352 35.083 32.600 0.219 0.000 1.523 341 M HN 0.094 nan 8.290 nan 0.000 0.467 342 L N 2.824 124.169 121.223 0.203 0.000 2.295 342 L HA 0.498 4.839 4.340 0.001 0.000 0.285 342 L C -1.292 175.691 176.870 0.188 0.000 1.035 342 L CA -0.910 54.039 54.840 0.182 0.000 0.806 342 L CB 1.071 43.187 42.059 0.095 0.000 1.214 342 L HN 0.572 nan 8.230 nan 0.000 0.426 343 L N 5.363 126.701 121.223 0.193 0.000 2.264 343 L HA 0.441 4.782 4.340 0.001 0.000 0.289 343 L C -0.469 176.419 176.870 0.031 0.000 1.044 343 L CA 0.279 55.125 54.840 0.009 0.000 0.807 343 L CB 1.109 43.184 42.059 0.026 0.000 1.192 343 L HN 0.626 nan 8.230 nan 0.000 0.425 344 E N 6.580 126.708 120.200 -0.119 0.000 2.145 344 E HA 0.397 4.748 4.350 0.001 0.000 0.270 344 E C -1.566 174.937 176.600 -0.161 0.000 0.906 344 E CA -0.432 55.910 56.400 -0.097 0.000 0.761 344 E CB 1.120 30.761 29.700 -0.099 0.000 1.116 344 E HN 0.727 nan 8.360 nan 0.000 0.408 345 I N 2.618 123.102 120.570 -0.143 0.000 2.468 345 I HA 0.261 4.432 4.170 0.001 0.000 0.285 345 I C 0.809 176.710 176.117 -0.360 0.000 1.039 345 I CA -0.702 60.384 61.300 -0.357 0.000 1.074 345 I CB 1.986 39.728 38.000 -0.430 0.000 1.228 345 I HN 0.799 nan 8.210 nan 0.000 0.436 346 G N 4.214 112.828 108.800 -0.311 0.000 2.341 346 G HA2 -0.134 3.826 3.960 0.001 0.000 0.292 346 G HA3 -0.134 3.826 3.960 0.001 0.000 0.292 346 G C 1.020 175.984 174.900 0.107 0.000 1.021 346 G CA 0.833 45.944 45.100 0.017 0.000 0.905 346 G HN 1.538 nan 8.290 nan 0.000 0.508 347 G N -2.030 106.774 108.800 0.006 0.000 2.241 347 G HA2 -0.229 3.732 3.960 0.001 0.000 0.244 347 G HA3 -0.229 3.732 3.960 0.001 0.000 0.244 347 G C 0.532 175.375 174.900 -0.095 0.000 0.998 347 G CA 0.431 45.535 45.100 0.005 0.000 0.621 347 G HN 1.264 nan 8.290 nan 0.000 0.519 348 L N 0.894 122.001 121.223 -0.194 0.000 2.418 348 L HA 0.638 4.979 4.340 0.001 0.000 0.265 348 L C 0.325 176.957 176.870 -0.396 0.000 1.143 348 L CA -0.431 54.177 54.840 -0.386 0.000 0.809 348 L CB 1.020 42.740 42.059 -0.564 0.000 1.124 348 L HN 0.227 nan 8.230 nan 0.000 0.456 349 E N 1.970 121.856 120.200 -0.524 0.000 2.234 349 E HA 0.411 4.762 4.350 0.001 0.000 0.266 349 E C -1.593 174.664 176.600 -0.571 0.000 0.877 349 E CA -0.459 55.714 56.400 -0.377 0.000 0.758 349 E CB 1.995 31.582 29.700 -0.188 0.000 1.170 349 E HN 0.249 nan 8.360 nan 0.000 0.415 350 F N 1.804 121.732 119.950 -0.036 0.000 2.325 350 F HA 0.119 4.646 4.527 0.001 0.000 0.369 350 F C 1.472 177.317 175.800 0.075 0.000 1.095 350 F CA -0.586 57.422 58.000 0.014 0.000 1.082 350 F CB 1.316 40.310 39.000 -0.010 0.000 1.289 350 F HN 0.460 nan 8.300 nan 0.000 0.462 351 S N 1.403 117.212 115.700 0.182 0.000 2.474 351 S HA 0.146 4.617 4.470 0.001 0.000 0.235 351 S C 0.818 175.552 174.600 0.225 0.000 0.997 351 S CA 0.415 58.719 58.200 0.174 0.000 0.949 351 S CB -0.012 63.270 63.200 0.136 0.000 0.766 351 S HN 0.523 nan 8.310 nan 0.000 0.517 352 A N 0.462 123.461 122.820 0.299 0.000 2.410 352 A HA 0.829 5.150 4.320 0.001 0.000 0.289 352 A C -0.158 177.691 177.584 0.441 0.000 1.200 352 A CA -0.188 52.053 52.037 0.339 0.000 0.751 352 A CB 0.936 20.107 19.000 0.285 0.000 1.161 352 A HN 1.003 nan 8.150 nan 0.000 0.459 353 A N 4.116 127.144 122.820 0.347 0.000 3.399 353 A HA 0.612 4.933 4.320 0.001 0.000 0.262 353 A C -3.031 174.719 177.584 0.277 0.000 1.145 353 A CA -0.879 51.328 52.037 0.283 0.000 0.916 353 A CB 0.361 19.527 19.000 0.277 0.000 1.360 353 A HN 0.509 nan 8.150 nan 0.000 0.628 354 P HA 0.394 nan 4.420 nan 0.000 0.268 354 P C -0.717 176.580 177.300 -0.005 0.000 1.204 354 P CA 0.499 63.555 63.100 -0.073 0.000 0.768 354 P CB 0.211 31.827 31.700 -0.140 0.000 0.842 355 F N -0.039 119.834 119.950 -0.129 0.000 2.593 355 F HA 0.796 5.324 4.527 0.001 0.000 0.320 355 F C -0.352 175.354 175.800 -0.157 0.000 1.060 355 F CA -1.107 56.820 58.000 -0.121 0.000 0.940 355 F CB 1.690 40.496 39.000 -0.323 0.000 1.268 355 F HN 0.408 nan 8.300 nan 0.000 0.475 356 S N 0.003 115.765 115.700 0.103 0.000 2.607 356 S HA 0.963 5.434 4.470 0.001 0.000 0.273 356 S C -0.731 173.819 174.600 -0.083 0.000 1.148 356 S CA -0.214 57.981 58.200 -0.008 0.000 0.833 356 S CB 1.507 64.770 63.200 0.105 0.000 1.130 356 S HN 1.483 nan 8.310 nan 0.000 0.470 357 G N -0.321 108.395 108.800 -0.139 0.000 3.433 357 G HA2 0.695 4.655 3.960 0.001 0.000 0.173 357 G HA3 0.695 4.655 3.960 0.001 0.000 0.173 357 G C -1.730 173.189 174.900 0.031 0.000 1.196 357 G CA -0.167 44.801 45.100 -0.220 0.000 1.062 357 G HN 1.218 nan 8.290 nan 0.000 0.699 358 W N -1.336 119.955 121.300 -0.014 0.000 3.083 358 W HA 0.822 5.483 4.660 0.001 0.000 0.333 358 W C -1.700 174.809 176.519 -0.017 0.000 1.217 358 W CA -2.029 55.323 57.345 0.011 0.000 1.170 358 W CB 0.519 30.034 29.460 0.092 0.000 1.437 358 W HN 0.399 nan 8.180 nan 0.000 0.557 359 Y N 2.550 123.028 120.300 0.297 0.000 2.336 359 Y HA 0.308 4.858 4.550 0.001 0.000 0.331 359 Y C 0.749 176.703 175.900 0.091 0.000 1.211 359 Y CA -0.729 57.432 58.100 0.101 0.000 1.346 359 Y CB 1.182 39.613 38.460 -0.048 0.000 1.271 359 Y HN 0.454 nan 8.280 nan 0.000 0.538 360 M N 2.091 121.846 119.600 0.259 0.000 2.180 360 M HA 0.201 4.681 4.480 0.001 0.000 0.350 360 M C 1.026 177.328 176.300 0.004 0.000 1.125 360 M CA -0.271 55.108 55.300 0.131 0.000 1.031 360 M CB 1.104 33.758 32.600 0.091 0.000 1.623 360 M HN 0.822 nan 8.290 nan 0.000 0.451 361 S N 1.257 116.920 115.700 -0.061 0.000 2.407 361 S HA -0.204 4.267 4.470 0.001 0.000 0.235 361 S C 1.437 175.902 174.600 -0.226 0.000 1.036 361 S CA 2.176 60.262 58.200 -0.190 0.000 1.013 361 S CB -1.360 61.769 63.200 -0.119 0.000 0.820 361 S HN 0.923 nan 8.310 nan 0.000 0.476 362 T N -0.536 113.910 114.554 -0.179 0.000 2.915 362 T HA 0.019 4.370 4.350 0.001 0.000 0.269 362 T C 1.609 176.163 174.700 -0.243 0.000 1.071 362 T CA 1.253 63.202 62.100 -0.253 0.000 1.132 362 T CB -0.452 68.216 68.868 -0.332 0.000 0.878 362 T HN 0.459 nan 8.240 nan 0.000 0.479 363 E N 1.152 121.232 120.200 -0.201 0.000 2.106 363 E HA 0.011 4.362 4.350 0.001 0.000 0.192 363 E C 1.858 178.215 176.600 -0.405 0.000 0.984 363 E CA 0.929 57.218 56.400 -0.184 0.000 0.806 363 E CB -0.410 29.307 29.700 0.027 0.000 0.750 363 E HN 0.677 nan 8.360 nan 0.000 0.458 364 I N -0.924 119.266 120.570 -0.633 0.000 2.260 364 I HA -0.011 4.160 4.170 0.001 0.000 0.237 364 I C 2.407 178.148 176.117 -0.628 0.000 1.075 364 I CA 0.948 61.678 61.300 -0.951 0.000 1.376 364 I CB -0.723 36.622 38.000 -1.092 0.000 1.107 364 I HN 0.205 nan 8.210 nan 0.000 0.420 365 G N 0.202 108.749 108.800 -0.421 0.000 2.422 365 G HA2 -0.167 3.794 3.960 0.001 0.000 0.218 365 G HA3 -0.167 3.794 3.960 0.001 0.000 0.218 365 G C 1.601 176.386 174.900 -0.193 0.000 1.146 365 G CA 1.502 46.452 45.100 -0.250 0.000 0.769 365 G HN 0.310 nan 8.290 nan 0.000 0.547 366 T N -0.002 114.420 114.554 -0.221 0.000 3.031 366 T HA 0.099 4.450 4.350 0.001 0.000 0.236 366 T C 2.523 177.124 174.700 -0.166 0.000 1.005 366 T CA 0.254 62.249 62.100 -0.176 0.000 1.230 366 T CB 0.026 68.775 68.868 -0.198 0.000 0.913 366 T HN -0.008 nan 8.240 nan 0.000 0.419 367 R N 2.137 122.524 120.500 -0.188 0.000 2.075 367 R HA 0.094 4.435 4.340 0.001 0.000 0.230 367 R C 2.158 178.362 176.300 -0.161 0.000 1.140 367 R CA 1.254 57.260 56.100 -0.156 0.000 0.928 367 R CB -1.249 28.974 30.300 -0.128 0.000 0.834 367 R HN 0.344 nan 8.270 nan 0.000 0.429 368 N N 0.767 119.322 118.700 -0.243 0.000 2.188 368 N HA -0.063 4.677 4.740 0.001 0.000 0.184 368 N C 1.956 177.389 175.510 -0.128 0.000 1.018 368 N CA 0.974 53.887 53.050 -0.229 0.000 0.858 368 N CB -0.154 37.961 38.487 -0.621 0.000 0.989 368 N HN 0.190 nan 8.380 nan 0.000 0.426 369 L N -0.790 120.297 121.223 -0.226 0.000 2.354 369 L HA 0.101 4.442 4.340 0.001 0.000 0.212 369 L C 1.314 178.204 176.870 0.034 0.000 1.091 369 L CA 0.338 55.140 54.840 -0.063 0.000 0.828 369 L CB 0.261 42.244 42.059 -0.126 0.000 0.973 369 L HN 0.140 nan 8.230 nan 0.000 0.461 370 C N -1.632 117.654 119.300 -0.023 0.000 3.230 370 C HA 0.180 4.640 4.460 0.001 0.000 0.300 370 C C 0.735 175.721 174.990 -0.007 0.000 1.292 370 C CA -0.896 58.123 59.018 0.002 0.000 1.707 370 C CB -0.241 27.488 27.740 -0.020 0.000 2.181 370 C HN 0.287 nan 8.230 nan 0.000 0.655 371 D N 2.850 123.220 120.400 -0.049 0.000 2.472 371 D HA 0.043 4.684 4.640 0.001 0.000 0.237 371 D C -1.026 175.272 176.300 -0.003 0.000 1.141 371 D CA -1.210 52.752 54.000 -0.064 0.000 0.875 371 D CB 0.709 41.346 40.800 -0.273 0.000 1.192 371 D HN 0.191 nan 8.370 nan 0.000 0.450 372 P HA -0.161 nan 4.420 nan 0.000 0.217 372 P C 0.740 178.140 177.300 0.167 0.000 1.150 372 P CA 1.361 64.549 63.100 0.147 0.000 0.832 372 P CB -0.020 31.776 31.700 0.160 0.000 0.787 373 H N -2.008 117.072 119.070 0.016 0.000 2.533 373 H HA 0.319 4.876 4.556 0.001 0.000 0.271 373 H C 1.053 176.387 175.328 0.010 0.000 1.000 373 H CA -0.121 55.933 56.048 0.011 0.000 1.149 373 H CB -0.236 29.534 29.762 0.014 0.000 1.375 373 H HN 0.004 nan 8.280 nan 0.000 0.582 374 R N -0.220 120.178 120.500 -0.169 0.000 3.006 374 R HA 0.180 4.520 4.340 0.001 0.000 0.150 374 R C 1.249 177.503 176.300 -0.076 0.000 1.285 374 R CA -0.738 55.285 56.100 -0.128 0.000 0.813 374 R CB -0.842 29.396 30.300 -0.104 0.000 1.582 374 R HN 0.100 nan 8.270 nan 0.000 0.441 375 Y N 1.483 121.790 120.300 0.012 0.000 2.333 375 Y HA -0.150 4.400 4.550 0.001 0.000 0.290 375 Y C 0.799 176.717 175.900 0.030 0.000 1.144 375 Y CA 1.391 59.512 58.100 0.035 0.000 1.228 375 Y CB -0.259 38.255 38.460 0.089 0.000 0.985 375 Y HN 0.496 nan 8.280 nan 0.000 0.542 376 N N 0.382 119.171 118.700 0.148 0.000 2.705 376 N HA -0.224 4.516 4.740 0.001 0.000 0.255 376 N C 0.335 175.923 175.510 0.130 0.000 1.008 376 N CA 0.825 53.941 53.050 0.110 0.000 0.742 376 N CB -1.404 37.131 38.487 0.080 0.000 0.906 376 N HN 0.656 nan 8.380 nan 0.000 0.541 377 I N -3.816 116.841 120.570 0.145 0.000 3.684 377 I HA 0.055 4.226 4.170 0.001 0.000 0.304 377 I C 1.761 177.963 176.117 0.141 0.000 1.278 377 I CA -0.341 61.041 61.300 0.135 0.000 1.272 377 I CB -0.108 37.971 38.000 0.131 0.000 1.029 377 I HN 0.092 nan 8.210 nan 0.000 0.458 378 L N 1.944 123.260 121.223 0.155 0.000 2.010 378 L HA -0.295 4.046 4.340 0.001 0.000 0.219 378 L C 2.612 179.672 176.870 0.316 0.000 1.077 378 L CA 2.280 57.242 54.840 0.203 0.000 0.773 378 L CB -0.990 41.162 42.059 0.155 0.000 0.892 378 L HN 0.525 nan 8.230 nan 0.000 0.436 379 E N -1.269 119.122 120.200 0.319 0.000 2.072 379 E HA -0.203 4.148 4.350 0.001 0.000 0.191 379 E C 1.787 178.424 176.600 0.062 0.000 0.985 379 E CA 1.124 57.657 56.400 0.222 0.000 0.801 379 E CB -0.013 29.746 29.700 0.098 0.000 0.750 379 E HN 0.564 nan 8.360 nan 0.000 0.452 380 D N 0.163 120.596 120.400 0.055 0.000 2.123 380 D HA -0.157 4.483 4.640 0.001 0.000 0.196 380 D C 2.052 178.341 176.300 -0.018 0.000 0.992 380 D CA 1.254 55.253 54.000 -0.002 0.000 0.833 380 D CB 0.074 40.883 40.800 0.015 0.000 0.954 380 D HN 0.155 nan 8.370 nan 0.000 0.455 381 V N 1.592 121.545 119.914 0.065 0.000 2.427 381 V HA -0.184 3.937 4.120 0.001 0.000 0.248 381 V C 2.568 178.724 176.094 0.104 0.000 1.051 381 V CA 1.613 63.993 62.300 0.134 0.000 1.048 381 V CB -0.607 31.366 31.823 0.250 0.000 0.666 381 V HN 0.160 nan 8.190 nan 0.000 0.456 382 A N -0.229 122.669 122.820 0.130 0.000 1.930 382 A HA -0.114 4.206 4.320 0.001 0.000 0.217 382 A C 2.368 179.916 177.584 -0.060 0.000 1.175 382 A CA 1.761 53.872 52.037 0.124 0.000 0.627 382 A CB -0.542 18.645 19.000 0.311 0.000 0.815 382 A HN 0.329 nan 8.150 nan 0.000 0.443 383 V N -0.879 118.952 119.914 -0.139 0.000 2.427 383 V HA -0.296 3.825 4.120 0.001 0.000 0.248 383 V C 2.581 178.498 176.094 -0.295 0.000 1.051 383 V CA 1.997 64.173 62.300 -0.207 0.000 1.048 383 V CB -0.978 30.730 31.823 -0.191 0.000 0.666 383 V HN 0.709 nan 8.190 nan 0.000 0.456 384 C N -0.462 118.582 119.300 -0.427 0.000 2.435 384 C HA -0.093 4.367 4.460 0.001 0.000 0.279 384 C C 2.669 177.091 174.990 -0.946 0.000 1.321 384 C CA 0.862 59.349 59.018 -0.884 0.000 1.752 384 C CB -0.932 25.977 27.740 -1.385 0.000 1.959 384 C HN 0.521 nan 8.230 nan 0.000 0.500 385 M N 0.050 119.374 119.600 -0.461 0.000 2.619 385 M HA 0.014 4.495 4.480 0.001 0.000 0.251 385 M C 0.505 176.752 176.300 -0.089 0.000 1.106 385 M CA 0.972 56.213 55.300 -0.099 0.000 1.086 385 M CB -0.371 32.306 32.600 0.129 0.000 1.465 385 M HN 0.258 nan 8.290 nan 0.000 0.506 386 D N 1.490 121.793 120.400 -0.162 0.000 2.716 386 D HA -0.144 4.496 4.640 0.001 0.000 0.239 386 D C -0.996 175.268 176.300 -0.060 0.000 1.125 386 D CA 0.437 54.365 54.000 -0.120 0.000 0.681 386 D CB -0.991 39.747 40.800 -0.104 0.000 1.070 386 D HN 0.286 nan 8.370 nan 0.000 0.432 387 L N -0.097 121.098 121.223 -0.046 0.000 2.387 387 L HA 0.389 4.730 4.340 0.001 0.000 0.266 387 L C 0.979 177.815 176.870 -0.057 0.000 1.059 387 L CA -0.903 53.943 54.840 0.010 0.000 0.801 387 L CB 0.713 42.844 42.059 0.121 0.000 1.223 387 L HN -0.014 nan 8.230 nan 0.000 0.456 388 D N 0.386 120.782 120.400 -0.006 0.000 2.455 388 D HA -0.030 4.611 4.640 0.001 0.000 0.234 388 D C 0.947 177.127 176.300 -0.200 0.000 1.224 388 D CA 0.218 54.184 54.000 -0.057 0.000 0.999 388 D CB 0.671 41.486 40.800 0.024 0.000 1.072 388 D HN 0.500 nan 8.370 nan 0.000 0.514 389 T N 2.618 116.870 114.554 -0.503 0.000 3.118 389 T HA -0.009 4.342 4.350 0.001 0.000 0.260 389 T C 1.728 176.071 174.700 -0.595 0.000 1.139 389 T CA 0.693 62.105 62.100 -1.147 0.000 1.085 389 T CB 0.050 68.265 68.868 -1.088 0.000 0.934 389 T HN 0.324 nan 8.240 nan 0.000 0.518 390 R N 0.263 120.611 120.500 -0.254 0.000 2.092 390 R HA 0.061 4.401 4.340 0.001 0.000 0.231 390 R C 1.128 177.440 176.300 0.020 0.000 1.119 390 R CA 0.954 56.995 56.100 -0.099 0.000 0.970 390 R CB -0.159 30.102 30.300 -0.064 0.000 0.864 390 R HN 0.228 nan 8.270 nan 0.000 0.440 391 T N -1.322 113.289 114.554 0.095 0.000 2.907 391 T HA 0.142 4.493 4.350 0.001 0.000 0.292 391 T C 1.089 175.980 174.700 0.319 0.000 1.043 391 T CA -0.601 61.599 62.100 0.168 0.000 1.003 391 T CB 1.887 70.817 68.868 0.103 0.000 1.084 391 T HN 0.253 nan 8.240 nan 0.000 0.483 392 T N 0.123 114.817 114.554 0.233 0.000 2.985 392 T HA -0.049 4.302 4.350 0.001 0.000 0.266 392 T C 2.040 176.785 174.700 0.075 0.000 1.076 392 T CA 1.276 63.465 62.100 0.148 0.000 1.135 392 T CB -0.515 68.388 68.868 0.059 0.000 0.890 392 T HN 0.612 nan 8.240 nan 0.000 0.480 393 S N 2.145 117.897 115.700 0.088 0.000 2.507 393 S HA -0.063 4.408 4.470 0.001 0.000 0.235 393 S C 2.139 176.782 174.600 0.072 0.000 0.988 393 S CA 0.763 58.998 58.200 0.059 0.000 0.944 393 S CB -0.786 62.443 63.200 0.049 0.000 0.762 393 S HN 0.740 nan 8.310 nan 0.000 0.526 394 S N 1.735 117.512 115.700 0.129 0.000 2.496 394 S HA 0.224 4.695 4.470 0.001 0.000 0.224 394 S C 0.953 175.626 174.600 0.121 0.000 0.996 394 S CA 0.260 58.544 58.200 0.139 0.000 0.927 394 S CB -0.939 62.382 63.200 0.201 0.000 0.774 394 S HN 0.630 nan 8.310 nan 0.000 0.524 395 L N 0.901 122.164 121.223 0.066 0.000 3.717 395 L HA -0.159 4.182 4.340 0.001 0.000 0.411 395 L C 1.551 178.412 176.870 -0.014 0.000 1.233 395 L CA 0.585 55.402 54.840 -0.039 0.000 0.917 395 L CB -2.561 39.491 42.059 -0.013 0.000 1.902 395 L HN 0.721 nan 8.230 nan 0.000 0.894 396 W N -0.012 121.299 121.300 0.018 0.000 2.374 396 W HA -0.148 4.512 4.660 0.001 0.000 0.288 396 W C 1.714 178.250 176.519 0.029 0.000 1.218 396 W CA 1.355 58.712 57.345 0.021 0.000 1.245 396 W CB -0.714 28.754 29.460 0.012 0.000 1.126 396 W HN 0.303 nan 8.180 nan 0.000 0.545 397 K N 1.053 121.041 120.400 -0.687 0.000 2.025 397 K HA -0.156 4.164 4.320 0.001 0.000 0.207 397 K C 1.555 178.015 176.600 -0.233 0.000 1.049 397 K CA 2.316 58.224 56.287 -0.630 0.000 0.933 397 K CB -0.385 31.570 32.500 -0.907 0.000 0.714 397 K HN 0.020 nan 8.250 nan 0.000 0.438 398 D N 0.678 120.963 120.400 -0.192 0.000 2.117 398 D HA -0.123 4.518 4.640 0.001 0.000 0.197 398 D C 1.666 177.958 176.300 -0.015 0.000 0.987 398 D CA 1.229 55.176 54.000 -0.089 0.000 0.829 398 D CB 0.051 40.807 40.800 -0.073 0.000 0.961 398 D HN 0.131 nan 8.370 nan 0.000 0.460 399 K N 0.435 120.849 120.400 0.023 0.000 2.057 399 K HA 0.029 4.349 4.320 0.001 0.000 0.206 399 K C 2.187 178.854 176.600 0.112 0.000 1.050 399 K CA 1.048 57.381 56.287 0.077 0.000 0.935 399 K CB -0.100 32.463 32.500 0.105 0.000 0.715 399 K HN 0.075 nan 8.250 nan 0.000 0.439 400 A N 1.584 124.486 122.820 0.136 0.000 1.898 400 A HA -0.093 4.227 4.320 0.001 0.000 0.216 400 A C 2.380 180.053 177.584 0.149 0.000 1.181 400 A CA 1.772 53.921 52.037 0.186 0.000 0.620 400 A CB -0.671 18.468 19.000 0.233 0.000 0.819 400 A HN 0.321 nan 8.150 nan 0.000 0.442 401 A N -0.599 122.265 122.820 0.073 0.000 1.933 401 A HA 0.003 4.323 4.320 0.001 0.000 0.218 401 A C 2.211 179.815 177.584 0.034 0.000 1.175 401 A CA 1.768 53.826 52.037 0.034 0.000 0.628 401 A CB -0.848 18.135 19.000 -0.028 0.000 0.814 401 A HN 0.375 nan 8.150 nan 0.000 0.444 402 V N 0.273 120.215 119.914 0.046 0.000 2.358 402 V HA -0.178 3.942 4.120 0.001 0.000 0.246 402 V C 2.488 178.627 176.094 0.076 0.000 1.047 402 V CA 2.018 64.350 62.300 0.054 0.000 1.035 402 V CB -0.636 31.225 31.823 0.063 0.000 0.658 402 V HN 0.508 nan 8.190 nan 0.000 0.452 403 E N -0.074 120.201 120.200 0.125 0.000 2.150 403 E HA -0.097 4.254 4.350 0.001 0.000 0.193 403 E C 2.117 178.788 176.600 0.118 0.000 0.985 403 E CA 1.075 57.587 56.400 0.186 0.000 0.814 403 E CB -0.195 29.635 29.700 0.217 0.000 0.752 403 E HN 0.579 nan 8.360 nan 0.000 0.466 404 I N 1.164 121.819 120.570 0.142 0.000 2.252 404 I HA -0.254 3.917 4.170 0.001 0.000 0.245 404 I C 1.713 177.819 176.117 -0.019 0.000 1.102 404 I CA 0.938 62.318 61.300 0.133 0.000 1.385 404 I CB -0.260 37.868 38.000 0.212 0.000 1.064 404 I HN 0.028 nan 8.210 nan 0.000 0.414 405 N N 0.673 119.355 118.700 -0.029 0.000 2.166 405 N HA -0.177 4.564 4.740 0.001 0.000 0.186 405 N C 1.687 177.152 175.510 -0.074 0.000 1.019 405 N CA 0.894 53.902 53.050 -0.069 0.000 0.856 405 N CB -0.165 38.289 38.487 -0.055 0.000 0.993 405 N HN 0.158 nan 8.380 nan 0.000 0.426 406 L N 0.483 121.660 121.223 -0.078 0.000 2.093 406 L HA 0.048 4.389 4.340 0.001 0.000 0.208 406 L C 1.966 178.695 176.870 -0.234 0.000 1.085 406 L CA 1.206 55.966 54.840 -0.134 0.000 0.755 406 L CB -0.645 41.321 42.059 -0.154 0.000 0.904 406 L HN 0.143 nan 8.230 nan 0.000 0.435 407 A N -1.356 121.264 122.820 -0.333 0.000 1.933 407 A HA -0.123 4.198 4.320 0.001 0.000 0.218 407 A C 2.247 179.738 177.584 -0.156 0.000 1.175 407 A CA 1.803 53.582 52.037 -0.430 0.000 0.628 407 A CB -0.938 17.505 19.000 -0.928 0.000 0.814 407 A HN 0.282 nan 8.150 nan 0.000 0.444 408 V N -0.065 119.785 119.914 -0.107 0.000 2.307 408 V HA -0.232 3.889 4.120 0.001 0.000 0.245 408 V C 2.556 178.659 176.094 0.015 0.000 1.045 408 V CA 1.918 64.199 62.300 -0.032 0.000 1.024 408 V CB -0.684 31.041 31.823 -0.164 0.000 0.651 408 V HN 0.570 nan 8.190 nan 0.000 0.449 409 L N -0.547 120.655 121.223 -0.035 0.000 2.046 409 L HA -0.206 4.135 4.340 0.001 0.000 0.208 409 L C 2.600 179.499 176.870 0.049 0.000 1.077 409 L CA 2.045 56.886 54.840 0.002 0.000 0.747 409 L CB -0.752 41.301 42.059 -0.009 0.000 0.896 409 L HN 0.483 nan 8.230 nan 0.000 0.432 410 H N -0.493 118.530 119.070 -0.077 0.000 2.321 410 H HA -0.129 4.428 4.556 0.001 0.000 0.300 410 H C 2.355 177.664 175.328 -0.032 0.000 1.087 410 H CA 1.935 57.928 56.048 -0.092 0.000 1.319 410 H CB 0.037 29.678 29.762 -0.202 0.000 1.379 410 H HN 0.121 nan 8.280 nan 0.000 0.501 411 S N -0.498 115.152 115.700 -0.084 0.000 2.356 411 S HA -0.119 4.352 4.470 0.001 0.000 0.223 411 S C 1.979 176.556 174.600 -0.039 0.000 1.032 411 S CA 1.327 59.474 58.200 -0.089 0.000 1.005 411 S CB -0.481 62.758 63.200 0.064 0.000 0.867 411 S HN 0.399 nan 8.310 nan 0.000 0.449 412 F N 1.799 121.690 119.950 -0.098 0.000 2.186 412 F HA -0.088 4.440 4.527 0.001 0.000 0.299 412 F C 2.738 178.489 175.800 -0.082 0.000 1.090 412 F CA 0.921 58.888 58.000 -0.055 0.000 1.307 412 F CB -0.185 38.810 39.000 -0.007 0.000 1.019 412 F HN 0.213 nan 8.300 nan 0.000 0.489 413 Q N -0.428 119.408 119.800 0.060 0.000 2.123 413 Q HA -0.184 4.157 4.340 0.001 0.000 0.199 413 Q C 2.124 178.066 176.000 -0.096 0.000 0.966 413 Q CA 1.135 56.926 55.803 -0.020 0.000 0.845 413 Q CB -0.302 28.419 28.738 -0.027 0.000 0.907 413 Q HN 0.359 nan 8.270 nan 0.000 0.439 414 L N 0.186 121.292 121.223 -0.196 0.000 2.201 414 L HA -0.009 4.332 4.340 0.001 0.000 0.212 414 L C 1.761 178.538 176.870 -0.154 0.000 1.105 414 L CA 1.604 56.309 54.840 -0.226 0.000 0.775 414 L CB -0.277 41.538 42.059 -0.406 0.000 0.913 414 L HN 0.074 nan 8.230 nan 0.000 0.440 415 A N -1.573 121.155 122.820 -0.154 0.000 2.275 415 A HA 0.132 4.452 4.320 0.001 0.000 0.212 415 A C 0.729 178.244 177.584 -0.115 0.000 1.201 415 A CA -0.123 51.827 52.037 -0.146 0.000 0.843 415 A CB -0.228 18.645 19.000 -0.212 0.000 0.873 415 A HN 0.327 nan 8.150 nan 0.000 0.492 416 K N -0.801 119.546 120.400 -0.087 0.000 3.125 416 K HA -0.123 4.198 4.320 0.001 0.000 0.268 416 K C -0.608 175.960 176.600 -0.053 0.000 1.078 416 K CA 0.778 57.027 56.287 -0.062 0.000 0.775 416 K CB -2.602 29.862 32.500 -0.060 0.000 1.253 416 K HN 0.310 nan 8.250 nan 0.000 0.486 417 V N 0.922 120.815 119.914 -0.035 0.000 2.513 417 V HA 0.217 4.337 4.120 0.001 0.000 0.299 417 V C 0.834 177.017 176.094 0.148 0.000 1.035 417 V CA -0.731 61.580 62.300 0.019 0.000 0.889 417 V CB 2.069 33.824 31.823 -0.112 0.000 0.988 417 V HN 0.252 nan 8.190 nan 0.000 0.440 418 T N 5.801 120.411 114.554 0.093 0.000 2.908 418 T HA 0.419 4.769 4.350 0.001 0.000 0.301 418 T C -0.310 174.485 174.700 0.160 0.000 1.019 418 T CA 0.798 62.889 62.100 -0.015 0.000 1.152 418 T CB 0.093 68.805 68.868 -0.259 0.000 0.966 418 T HN 0.511 nan 8.240 nan 0.000 0.540 419 I N 2.975 123.579 120.570 0.057 0.000 2.908 419 I HA 0.661 4.832 4.170 0.001 0.000 0.300 419 I C -1.643 174.528 176.117 0.089 0.000 1.385 419 I CA -0.777 60.583 61.300 0.101 0.000 1.004 419 I CB 2.163 40.167 38.000 0.007 0.000 1.309 419 I HN 0.437 nan 8.210 nan 0.000 0.449 420 V N 5.414 125.427 119.914 0.165 0.000 2.733 420 V HA 0.584 4.705 4.120 0.001 0.000 0.306 420 V C -1.441 174.724 176.094 0.118 0.000 1.084 420 V CA -0.296 62.104 62.300 0.167 0.000 0.905 420 V CB 2.087 34.097 31.823 0.312 0.000 1.010 420 V HN 0.923 nan 8.190 nan 0.000 0.424 421 D N 4.086 124.537 120.400 0.085 0.000 2.354 421 D HA 0.223 4.864 4.640 0.001 0.000 0.247 421 D C 1.285 177.622 176.300 0.062 0.000 1.138 421 D CA 0.149 54.197 54.000 0.079 0.000 0.958 421 D CB 0.510 41.333 40.800 0.038 0.000 1.144 421 D HN 0.733 nan 8.370 nan 0.000 0.458 422 H N -0.019 118.988 119.070 -0.105 0.000 2.456 422 H HA -0.148 4.409 4.556 0.001 0.000 0.296 422 H C 0.917 176.151 175.328 -0.157 0.000 1.079 422 H CA 1.365 57.314 56.048 -0.165 0.000 1.322 422 H CB -0.548 29.057 29.762 -0.262 0.000 1.388 422 H HN 0.521 nan 8.280 nan 0.000 0.538 423 H N 1.020 119.899 119.070 -0.319 0.000 2.343 423 H HA 0.183 4.740 4.556 0.001 0.000 0.303 423 H C 2.521 177.824 175.328 -0.043 0.000 1.068 423 H CA 1.301 57.237 56.048 -0.187 0.000 1.359 423 H CB -0.281 29.334 29.762 -0.245 0.000 1.402 423 H HN 0.508 nan 8.280 nan 0.000 0.515 424 A N 1.425 124.302 122.820 0.096 0.000 1.877 424 A HA -0.074 4.247 4.320 0.001 0.000 0.216 424 A C 2.696 180.352 177.584 0.121 0.000 1.186 424 A CA 1.747 53.844 52.037 0.099 0.000 0.620 424 A CB -0.859 18.194 19.000 0.088 0.000 0.822 424 A HN 0.419 nan 8.150 nan 0.000 0.443 425 A N -0.099 122.793 122.820 0.121 0.000 1.865 425 A HA -0.162 4.159 4.320 0.001 0.000 0.217 425 A C 2.463 180.143 177.584 0.160 0.000 1.191 425 A CA 2.842 54.965 52.037 0.145 0.000 0.623 425 A CB -1.542 17.532 19.000 0.123 0.000 0.826 425 A HN 0.788 nan 8.150 nan 0.000 0.444 426 T N -2.774 111.858 114.554 0.130 0.000 2.867 426 T HA -0.051 4.300 4.350 0.001 0.000 0.268 426 T C 1.666 176.492 174.700 0.209 0.000 1.057 426 T CA 1.287 63.486 62.100 0.165 0.000 1.136 426 T CB -0.616 68.314 68.868 0.104 0.000 0.874 426 T HN 0.055 nan 8.240 nan 0.000 0.466 427 V N 2.716 122.729 119.914 0.164 0.000 2.358 427 V HA -0.164 3.957 4.120 0.001 0.000 0.246 427 V C 3.205 179.387 176.094 0.148 0.000 1.047 427 V CA 2.073 64.459 62.300 0.144 0.000 1.035 427 V CB -0.856 31.034 31.823 0.111 0.000 0.658 427 V HN 0.793 nan 8.190 nan 0.000 0.452 428 S N -0.279 115.519 115.700 0.163 0.000 2.402 428 S HA -0.220 4.251 4.470 0.001 0.000 0.229 428 S C 1.983 176.701 174.600 0.195 0.000 1.021 428 S CA 1.505 59.801 58.200 0.161 0.000 0.974 428 S CB -0.722 62.579 63.200 0.168 0.000 0.800 428 S HN 0.505 nan 8.310 nan 0.000 0.484 429 F N 2.095 122.106 119.950 0.102 0.000 2.186 429 F HA 0.079 4.607 4.527 0.001 0.000 0.299 429 F C 2.254 178.142 175.800 0.146 0.000 1.090 429 F CA 1.235 59.308 58.000 0.122 0.000 1.307 429 F CB -0.318 38.731 39.000 0.082 0.000 1.019 429 F HN 0.119 nan 8.300 nan 0.000 0.489 430 M N 0.003 119.674 119.600 0.119 0.000 2.159 430 M HA -0.174 4.306 4.480 0.001 0.000 0.263 430 M C 2.185 178.466 176.300 -0.033 0.000 1.063 430 M CA 1.459 56.782 55.300 0.037 0.000 1.110 430 M CB -1.192 31.472 32.600 0.107 0.000 1.374 430 M HN 0.051 nan 8.290 nan 0.000 0.411 431 K N -0.275 120.132 120.400 0.012 0.000 2.025 431 K HA -0.192 4.128 4.320 0.001 0.000 0.207 431 K C 2.004 178.582 176.600 -0.038 0.000 1.049 431 K CA 1.770 58.060 56.287 0.004 0.000 0.933 431 K CB -0.715 31.812 32.500 0.044 0.000 0.714 431 K HN 0.398 nan 8.250 nan 0.000 0.438 432 H N -0.058 118.923 119.070 -0.149 0.000 2.352 432 H HA -0.018 4.538 4.556 0.001 0.000 0.299 432 H C 1.717 176.870 175.328 -0.290 0.000 1.097 432 H CA 2.149 58.075 56.048 -0.203 0.000 1.311 432 H CB -0.159 29.448 29.762 -0.257 0.000 1.377 432 H HN 0.173 nan 8.280 nan 0.000 0.504 433 L N -0.231 120.698 121.223 -0.490 0.000 2.083 433 L HA -0.146 4.195 4.340 0.001 0.000 0.209 433 L C 2.229 178.936 176.870 -0.270 0.000 1.083 433 L CA 1.570 56.147 54.840 -0.439 0.000 0.752 433 L CB -0.363 41.505 42.059 -0.319 0.000 0.899 433 L HN 0.382 nan 8.230 nan 0.000 0.433 434 D N -0.098 120.189 120.400 -0.188 0.000 2.123 434 D HA -0.165 4.475 4.640 0.001 0.000 0.200 434 D C 1.909 178.134 176.300 -0.124 0.000 0.976 434 D CA 1.042 54.972 54.000 -0.116 0.000 0.831 434 D CB 0.041 40.801 40.800 -0.067 0.000 0.974 434 D HN 0.126 nan 8.370 nan 0.000 0.469 435 N N 0.682 119.292 118.700 -0.151 0.000 2.069 435 N HA -0.135 4.606 4.740 0.001 0.000 0.191 435 N C 1.632 177.053 175.510 -0.148 0.000 1.031 435 N CA 0.900 53.880 53.050 -0.117 0.000 0.852 435 N CB -0.275 38.161 38.487 -0.084 0.000 1.018 435 N HN 0.332 nan 8.380 nan 0.000 0.423 436 E N 0.664 120.692 120.200 -0.287 0.000 2.150 436 E HA -0.163 4.187 4.350 0.001 0.000 0.193 436 E C 1.901 178.414 176.600 -0.146 0.000 0.985 436 E CA 0.596 56.839 56.400 -0.262 0.000 0.814 436 E CB -0.153 29.286 29.700 -0.434 0.000 0.752 436 E HN 0.347 nan 8.360 nan 0.000 0.466 437 Q N 1.462 121.185 119.800 -0.129 0.000 2.084 437 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 437 Q C 1.807 177.776 176.000 -0.051 0.000 0.978 437 Q CA 1.646 57.407 55.803 -0.070 0.000 0.844 437 Q CB 0.051 28.753 28.738 -0.060 0.000 0.898 437 Q HN 0.123 nan 8.270 nan 0.000 0.426 438 K N -0.763 119.604 120.400 -0.055 0.000 2.031 438 K HA 0.016 4.336 4.320 0.001 0.000 0.205 438 K C 2.063 178.645 176.600 -0.030 0.000 1.049 438 K CA 0.983 57.248 56.287 -0.037 0.000 0.939 438 K CB -0.214 32.267 32.500 -0.032 0.000 0.717 438 K HN 0.244 nan 8.250 nan 0.000 0.438 439 A N 1.557 124.358 122.820 -0.032 0.000 1.873 439 A HA -0.119 4.201 4.320 0.001 0.000 0.215 439 A C 1.838 179.413 177.584 -0.015 0.000 1.186 439 A CA 1.333 53.363 52.037 -0.012 0.000 0.616 439 A CB -0.139 18.866 19.000 0.009 0.000 0.823 439 A HN 0.205 nan 8.150 nan 0.000 0.442 440 R N -2.389 118.092 120.500 -0.032 0.000 2.487 440 R HA 0.296 4.636 4.340 0.001 0.000 0.272 440 R C 0.780 177.070 176.300 -0.018 0.000 0.928 440 R CA 0.489 56.576 56.100 -0.022 0.000 1.077 440 R CB 0.582 30.866 30.300 -0.027 0.000 1.265 440 R HN 0.722 nan 8.270 nan 0.000 0.537 441 G N 1.051 109.836 108.800 -0.025 0.000 2.204 441 G HA2 -0.123 3.838 3.960 0.001 0.000 0.244 441 G HA3 -0.123 3.838 3.960 0.001 0.000 0.244 441 G C 0.194 175.100 174.900 0.010 0.000 1.062 441 G CA -0.000 45.087 45.100 -0.021 0.000 0.798 441 G HN 0.732 nan 8.290 nan 0.000 0.496 442 G N -2.397 106.412 108.800 0.016 0.000 2.361 442 G HA2 0.531 4.492 3.960 0.001 0.000 0.305 442 G HA3 0.531 4.492 3.960 0.001 0.000 0.305 442 G C -0.673 174.263 174.900 0.059 0.000 1.367 442 G CA 0.413 45.557 45.100 0.073 0.000 0.951 442 G HN 2.059 nan 8.290 nan 0.000 0.615 443 C N 2.060 121.422 119.300 0.103 0.000 2.817 443 C HA 0.703 5.164 4.460 0.001 0.000 0.385 443 C C -2.531 172.456 174.990 -0.004 0.000 1.050 443 C CA -1.117 57.911 59.018 0.016 0.000 1.245 443 C CB 1.311 28.997 27.740 -0.089 0.000 1.706 443 C HN 0.744 nan 8.230 nan 0.000 0.488 444 P HA 0.380 nan 4.420 nan 0.000 0.266 444 P C -0.613 176.604 177.300 -0.138 0.000 1.215 444 P CA 0.652 63.419 63.100 -0.556 0.000 0.763 444 P CB 0.948 32.112 31.700 -0.893 0.000 0.806 445 A N 2.864 125.670 122.820 -0.024 0.000 2.455 445 A HA 0.447 4.768 4.320 0.001 0.000 0.300 445 A C -1.082 176.565 177.584 0.104 0.000 1.040 445 A CA -0.538 51.568 52.037 0.115 0.000 0.697 445 A CB 1.348 20.526 19.000 0.298 0.000 1.265 445 A HN 0.406 nan 8.150 nan 0.000 0.407 446 D N 1.812 122.268 120.400 0.094 0.000 2.473 446 D HA 0.186 4.826 4.640 0.001 0.000 0.226 446 D C 0.864 177.311 176.300 0.246 0.000 1.089 446 D CA -0.496 53.606 54.000 0.169 0.000 0.883 446 D CB 0.358 41.228 40.800 0.116 0.000 1.029 446 D HN 0.592 nan 8.370 nan 0.000 0.517 447 W N 4.191 125.539 121.300 0.079 0.000 2.290 447 W HA -0.371 4.290 4.660 0.001 0.000 0.323 447 W C 1.945 178.480 176.519 0.027 0.000 1.260 447 W CA 2.643 60.007 57.345 0.033 0.000 1.266 447 W CB -0.002 29.451 29.460 -0.010 0.000 1.149 447 W HN 0.551 nan 8.180 nan 0.000 0.482 448 A N -1.323 121.772 122.820 0.458 0.000 2.024 448 A HA -0.203 4.118 4.320 0.001 0.000 0.220 448 A C 1.447 178.986 177.584 -0.075 0.000 1.164 448 A CA 1.724 53.903 52.037 0.237 0.000 0.643 448 A CB -1.247 17.888 19.000 0.225 0.000 0.806 448 A HN 0.565 nan 8.150 nan 0.000 0.451 449 W N -0.978 120.295 121.300 -0.045 0.000 2.683 449 W HA 0.203 4.864 4.660 0.001 0.000 0.267 449 W C 1.859 178.262 176.519 -0.194 0.000 1.243 449 W CA -0.154 57.138 57.345 -0.089 0.000 1.380 449 W CB -0.151 29.282 29.460 -0.045 0.000 1.063 449 W HN 0.105 nan 8.180 nan 0.000 0.599 450 I N 0.111 120.632 120.570 -0.082 0.000 2.315 450 I HA -0.087 4.083 4.170 0.001 0.000 0.248 450 I C 0.722 176.633 176.117 -0.344 0.000 1.117 450 I CA 0.846 61.962 61.300 -0.307 0.000 1.404 450 I CB -1.542 36.196 38.000 -0.437 0.000 1.071 450 I HN -0.376 nan 8.210 nan 0.000 0.419 451 V N 3.729 123.359 119.914 -0.475 0.000 2.521 451 V HA 0.094 4.215 4.120 0.001 0.000 0.286 451 V C -1.888 174.034 176.094 -0.287 0.000 1.034 451 V CA -1.066 60.950 62.300 -0.473 0.000 1.045 451 V CB 0.355 31.656 31.823 -0.869 0.000 0.974 451 V HN 0.113 nan 8.190 nan 0.000 0.480 452 P HA 0.122 nan 4.420 nan 0.000 0.270 452 P C -1.759 175.424 177.300 -0.196 0.000 1.223 452 P CA -1.086 61.903 63.100 -0.186 0.000 0.785 452 P CB 0.053 31.651 31.700 -0.170 0.000 0.923 453 P HA -0.031 nan 4.420 nan 0.000 0.226 453 P C 0.215 177.413 177.300 -0.169 0.000 1.153 453 P CA 1.306 64.295 63.100 -0.186 0.000 0.777 453 P CB 0.018 31.604 31.700 -0.190 0.000 0.794 454 I N -6.666 113.771 120.570 -0.221 0.000 2.828 454 I HA 0.467 4.638 4.170 0.001 0.000 0.302 454 I C -0.188 175.842 176.117 -0.145 0.000 1.101 454 I CA -1.223 59.969 61.300 -0.180 0.000 1.031 454 I CB 2.119 39.993 38.000 -0.210 0.000 1.231 454 I HN -0.384 nan 8.210 nan 0.000 0.427 455 S N 2.355 118.022 115.700 -0.055 0.000 3.641 455 S HA -0.184 4.287 4.470 0.001 0.000 0.346 455 S C 1.345 175.943 174.600 -0.003 0.000 1.074 455 S CA 0.779 58.986 58.200 0.012 0.000 1.026 455 S CB -1.705 61.578 63.200 0.138 0.000 0.908 455 S HN 1.274 nan 8.310 nan 0.000 0.479 456 G N 2.380 111.159 108.800 -0.035 0.000 2.631 456 G HA2 -0.327 3.634 3.960 0.001 0.000 0.219 456 G HA3 -0.327 3.634 3.960 0.001 0.000 0.219 456 G C 1.478 176.287 174.900 -0.152 0.000 1.214 456 G CA 1.602 46.703 45.100 0.002 0.000 0.785 456 G HN 1.311 nan 8.290 nan 0.000 0.596 457 S N -0.035 115.284 115.700 -0.635 0.000 2.507 457 S HA 0.099 4.569 4.470 0.001 0.000 0.235 457 S C 2.006 176.516 174.600 -0.151 0.000 0.988 457 S CA 0.754 58.389 58.200 -0.942 0.000 0.944 457 S CB -0.070 62.456 63.200 -1.123 0.000 0.762 457 S HN 0.070 nan 8.310 nan 0.000 0.526 458 L N 2.424 123.625 121.223 -0.036 0.000 2.478 458 L HA 0.212 4.553 4.340 0.001 0.000 0.223 458 L C 1.405 178.390 176.870 0.191 0.000 1.140 458 L CA 0.808 55.713 54.840 0.107 0.000 0.842 458 L CB -1.036 41.121 42.059 0.162 0.000 0.953 458 L HN 0.615 nan 8.230 nan 0.000 0.452 459 T N -4.518 110.134 114.554 0.163 0.000 2.925 459 T HA 0.361 4.711 4.350 0.001 0.000 0.285 459 T C -1.676 173.160 174.700 0.225 0.000 1.021 459 T CA -1.929 60.286 62.100 0.191 0.000 1.042 459 T CB 1.882 70.821 68.868 0.118 0.000 1.037 459 T HN -0.149 nan 8.240 nan 0.000 0.481 460 P HA -0.087 nan 4.420 nan 0.000 0.220 460 P C 1.740 179.202 177.300 0.271 0.000 1.148 460 P CA 1.036 64.309 63.100 0.288 0.000 0.803 460 P CB -0.310 31.518 31.700 0.213 0.000 0.782 461 V N -4.041 115.982 119.914 0.182 0.000 2.667 461 V HA -0.152 3.969 4.120 0.001 0.000 0.252 461 V C 2.400 178.522 176.094 0.047 0.000 1.065 461 V CA 0.986 63.359 62.300 0.123 0.000 1.083 461 V CB -2.179 29.660 31.823 0.026 0.000 0.692 461 V HN -0.105 nan 8.190 nan 0.000 0.468 462 F N 1.663 121.511 119.950 -0.169 0.000 2.134 462 F HA -0.140 4.387 4.527 0.001 0.000 0.299 462 F C 2.441 178.284 175.800 0.072 0.000 1.097 462 F CA 2.046 59.940 58.000 -0.177 0.000 1.264 462 F CB -0.144 38.642 39.000 -0.357 0.000 1.001 462 F HN 0.260 nan 8.300 nan 0.000 0.479 463 H N -0.600 118.830 119.070 0.600 0.000 2.536 463 H HA 0.117 4.674 4.556 0.001 0.000 0.276 463 H C 0.043 175.646 175.328 0.459 0.000 1.019 463 H CA 0.205 56.569 56.048 0.528 0.000 1.159 463 H CB -0.341 29.682 29.762 0.434 0.000 1.373 463 H HN 0.281 nan 8.280 nan 0.000 0.584 464 Q N 1.679 121.754 119.800 0.459 0.000 2.333 464 Q HA 0.201 4.542 4.340 0.001 0.000 0.265 464 Q C -0.677 175.565 176.000 0.403 0.000 0.989 464 Q CA -0.527 55.500 55.803 0.374 0.000 0.842 464 Q CB 1.122 30.034 28.738 0.290 0.000 1.262 464 Q HN 0.202 nan 8.270 nan 0.000 0.451 465 E N 3.276 123.675 120.200 0.332 0.000 2.383 465 E HA 0.317 4.667 4.350 0.001 0.000 0.264 465 E C -0.535 176.217 176.600 0.253 0.000 1.050 465 E CA 0.244 56.808 56.400 0.273 0.000 0.896 465 E CB 0.848 30.682 29.700 0.222 0.000 0.982 465 E HN 0.603 nan 8.360 nan 0.000 0.424 466 M N 1.220 120.972 119.600 0.253 0.000 2.593 466 M HA 0.395 4.876 4.480 0.001 0.000 0.290 466 M C -1.294 175.128 176.300 0.204 0.000 1.244 466 M CA -0.995 54.451 55.300 0.244 0.000 0.857 466 M CB 2.405 35.188 32.600 0.305 0.000 1.738 466 M HN 0.146 nan 8.290 nan 0.000 0.461 467 V N 1.627 121.671 119.914 0.218 0.000 2.448 467 V HA 0.494 4.615 4.120 0.001 0.000 0.295 467 V C -0.805 175.429 176.094 0.234 0.000 1.025 467 V CA -0.743 61.716 62.300 0.264 0.000 0.859 467 V CB 1.685 33.725 31.823 0.362 0.000 0.988 467 V HN 0.796 nan 8.190 nan 0.000 0.431 468 N N 3.853 122.677 118.700 0.207 0.000 2.392 468 N HA 0.643 5.383 4.740 0.001 0.000 0.283 468 N C -1.216 174.395 175.510 0.168 0.000 1.003 468 N CA -0.411 52.677 53.050 0.065 0.000 0.892 468 N CB 1.241 39.770 38.487 0.071 0.000 1.193 468 N HN 0.677 nan 8.380 nan 0.000 0.487 469 Y N 0.462 120.788 120.300 0.045 0.000 2.670 469 Y HA 0.594 5.145 4.550 0.001 0.000 0.334 469 Y C -0.938 174.972 175.900 0.016 0.000 1.185 469 Y CA -1.273 56.846 58.100 0.031 0.000 1.053 469 Y CB 0.901 39.382 38.460 0.035 0.000 1.298 469 Y HN 0.175 nan 8.280 nan 0.000 0.459 470 I N 3.334 123.998 120.570 0.156 0.000 2.321 470 I HA 0.407 4.577 4.170 0.001 0.000 0.291 470 I C -0.713 175.470 176.117 0.110 0.000 0.998 470 I CA -0.469 60.868 61.300 0.062 0.000 1.227 470 I CB 1.112 39.137 38.000 0.041 0.000 1.368 470 I HN 0.431 nan 8.210 nan 0.000 0.466 471 L N 4.842 126.094 121.223 0.049 0.000 2.333 471 L HA 0.544 4.885 4.340 0.001 0.000 0.269 471 L C -0.103 176.765 176.870 -0.002 0.000 1.010 471 L CA -0.521 54.356 54.840 0.062 0.000 0.818 471 L CB 2.202 44.300 42.059 0.065 0.000 1.306 471 L HN 0.516 nan 8.230 nan 0.000 0.430 472 S N 1.640 117.348 115.700 0.013 0.000 2.503 472 S HA 0.624 5.095 4.470 0.001 0.000 0.301 472 S C -2.546 172.059 174.600 0.008 0.000 1.087 472 S CA -1.435 56.754 58.200 -0.017 0.000 1.042 472 S CB 1.845 65.050 63.200 0.008 0.000 1.043 472 S HN 0.236 nan 8.310 nan 0.000 0.489 473 P HA 0.360 nan 4.420 nan 0.000 0.267 473 P C -1.442 175.720 177.300 -0.231 0.000 1.201 473 P CA 0.018 63.010 63.100 -0.180 0.000 0.775 473 P CB 0.484 32.033 31.700 -0.252 0.000 0.854 474 A N 1.785 124.427 122.820 -0.296 0.000 2.589 474 A HA 0.629 4.950 4.320 0.001 0.000 0.296 474 A C -1.509 175.852 177.584 -0.371 0.000 1.062 474 A CA -0.513 51.351 52.037 -0.289 0.000 0.686 474 A CB 0.738 19.652 19.000 -0.144 0.000 1.282 474 A HN 0.336 nan 8.150 nan 0.000 0.404 475 F N 1.591 121.441 119.950 -0.167 0.000 2.411 475 F HA 0.596 5.123 4.527 0.001 0.000 0.355 475 F C 1.088 176.767 175.800 -0.201 0.000 1.117 475 F CA 0.251 58.144 58.000 -0.178 0.000 1.139 475 F CB 1.420 40.257 39.000 -0.271 0.000 1.120 475 F HN 0.554 nan 8.300 nan 0.000 0.493 476 R N 1.667 122.177 120.500 0.016 0.000 2.919 476 R HA 0.494 4.835 4.340 0.001 0.000 0.260 476 R C -1.438 174.824 176.300 -0.064 0.000 1.067 476 R CA -1.230 54.825 56.100 -0.075 0.000 1.003 476 R CB 1.566 31.857 30.300 -0.015 0.000 1.192 476 R HN 0.406 nan 8.270 nan 0.000 0.488 477 Y N 1.065 121.379 120.300 0.023 0.000 2.307 477 Y HA 0.195 4.746 4.550 0.001 0.000 0.324 477 Y C 0.401 176.295 175.900 -0.010 0.000 1.238 477 Y CA -0.109 57.994 58.100 0.006 0.000 1.280 477 Y CB 1.139 39.589 38.460 -0.017 0.000 1.248 477 Y HN 0.421 nan 8.280 nan 0.000 0.508 478 Q N 1.306 121.200 119.800 0.157 0.000 2.416 478 Q HA 0.627 4.967 4.340 0.001 0.000 0.281 478 Q C -3.127 172.841 176.000 -0.053 0.000 1.067 478 Q CA -2.494 53.332 55.803 0.037 0.000 0.809 478 Q CB 2.039 30.794 28.738 0.027 0.000 1.418 478 Q HN 0.277 nan 8.270 nan 0.000 0.411 479 P HA 0.040 nan 4.420 nan 0.000 0.267 479 P C -0.981 176.111 177.300 -0.348 0.000 1.200 479 P CA 0.085 63.059 63.100 -0.211 0.000 0.772 479 P CB 0.381 31.974 31.700 -0.178 0.000 0.855 480 D N 3.560 123.618 120.400 -0.570 0.000 2.390 480 D HA 0.017 4.658 4.640 0.001 0.000 0.249 480 D C -1.021 174.695 176.300 -0.973 0.000 1.144 480 D CA -1.142 52.236 54.000 -1.037 0.000 0.880 480 D CB 0.411 40.137 40.800 -1.790 0.000 1.182 480 D HN 0.294 nan 8.370 nan 0.000 0.451 481 P HA -0.093 nan 4.420 nan 0.000 0.226 481 P C 0.119 177.129 177.300 -0.484 0.000 1.146 481 P CA 0.784 63.534 63.100 -0.583 0.000 0.773 481 P CB 0.059 31.417 31.700 -0.570 0.000 0.772 482 W N 0.000 120.906 121.300 -0.657 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.114 57.345 -0.386 0.000 1.226 482 W CB 0.000 29.195 29.460 -0.442 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535