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 2rj4_1_A DATA FIRST_RESID 62 DATA SEQUENCE FMVSLPRMVY PQPKVLTPCR KDVLVVTPWL APIVWEGTFN IDILNEQFRL DATA SEQUENCE QNTTIGLTVF AIKKYVAFLK LFLETAEKHF MVGHRVHYYV FTDQPAAVPR DATA SEQUENCE VTLGTGRQLS VLEVRAYKRW QDVSMRRMEM ISXFCERRFL SEVDYLVCVD DATA SEQUENCE VDMEFRDHVG VEILTPLFGT LHPSFYGSSR EAFTYERRPQ SQAYIPKDEG DATA SEQUENCE DFYYMGAFFG GSVQEVQRLT RACHQAMMVD QANGIEAVWH DESHLNKYLL DATA SEQUENCE RHKPTKVLSP EYLWDQQLLG WPAVLRKLRF TAVPKNHQAV R 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 62 F HA 0.000 nan 4.527 nan 0.000 0.279 62 F C 0.000 175.800 175.800 0.000 0.000 0.967 62 F CA 0.000 58.002 58.000 0.004 0.000 1.383 62 F CB 0.000 39.003 39.000 0.006 0.000 1.145 63 M N 7.227 126.310 119.600 -0.862 0.000 2.125 63 M HA 0.464 4.914 4.480 -0.049 0.000 0.321 63 M C -0.872 174.874 176.300 -0.924 0.000 0.983 63 M CA -0.984 53.928 55.300 -0.648 0.000 0.934 63 M CB 1.135 33.518 32.600 -0.362 0.000 1.542 63 M HN 0.543 nan 8.290 nan 0.000 0.424 64 V N 2.443 122.015 119.914 -0.570 0.000 3.319 64 V HA 0.445 4.535 4.120 -0.049 0.000 0.303 64 V C 0.665 176.646 176.094 -0.187 0.000 1.094 64 V CA -0.616 61.496 62.300 -0.312 0.000 1.106 64 V CB 0.199 31.994 31.823 -0.046 0.000 1.099 64 V HN 0.837 nan 8.190 nan 0.000 0.476 65 S N 1.870 117.525 115.700 -0.075 0.000 2.562 65 S HA 0.395 4.836 4.470 -0.049 0.000 0.281 65 S C 0.023 174.607 174.600 -0.026 0.000 1.333 65 S CA -0.403 57.774 58.200 -0.038 0.000 1.052 65 S CB 0.084 63.287 63.200 0.006 0.000 0.884 65 S HN 0.583 nan 8.310 nan 0.000 0.506 66 L N 4.434 125.646 121.223 -0.018 0.000 2.467 66 L HA 0.260 4.571 4.340 -0.049 0.000 0.270 66 L C -1.384 175.499 176.870 0.022 0.000 1.205 66 L CA -1.408 53.435 54.840 0.005 0.000 0.828 66 L CB -0.210 41.861 42.059 0.020 0.000 1.101 66 L HN 0.472 nan 8.230 nan 0.000 0.479 67 P HA 0.117 nan 4.420 nan 0.000 0.276 67 P C -0.875 176.451 177.300 0.043 0.000 1.261 67 P CA -0.851 62.269 63.100 0.033 0.000 0.800 67 P CB 0.526 32.245 31.700 0.032 0.000 1.066 68 R N 1.093 121.612 120.500 0.032 0.000 2.537 68 R HA 0.163 4.473 4.340 -0.049 0.000 0.281 68 R C -0.508 175.819 176.300 0.044 0.000 0.988 68 R CA 0.672 56.787 56.100 0.026 0.000 1.077 68 R CB -0.236 30.069 30.300 0.009 0.000 0.932 68 R HN 0.442 nan 8.270 nan 0.000 0.409 69 M N 4.281 123.912 119.600 0.052 0.000 2.386 69 M HA 0.295 4.745 4.480 -0.049 0.000 0.293 69 M C -1.344 174.926 176.300 -0.050 0.000 1.120 69 M CA -1.076 54.285 55.300 0.101 0.000 0.909 69 M CB 2.665 35.445 32.600 0.300 0.000 1.661 69 M HN 0.267 nan 8.290 nan 0.000 0.452 70 V N 3.744 123.639 119.914 -0.031 0.000 2.370 70 V HA 0.634 4.725 4.120 -0.049 0.000 0.283 70 V C -1.223 174.842 176.094 -0.049 0.000 1.023 70 V CA -0.461 61.747 62.300 -0.153 0.000 0.857 70 V CB 0.730 32.508 31.823 -0.075 0.000 0.985 70 V HN 0.814 nan 8.190 nan 0.000 0.443 71 Y N 3.503 123.804 120.300 0.001 0.000 2.656 71 Y HA 0.817 5.338 4.550 -0.049 0.000 0.334 71 Y C -2.979 172.919 175.900 -0.003 0.000 1.179 71 Y CA -3.346 54.754 58.100 -0.001 0.000 1.050 71 Y CB 0.118 38.580 38.460 0.003 0.000 1.308 71 Y HN 0.430 nan 8.280 nan 0.000 0.456 72 P HA 0.080 nan 4.420 nan 0.000 0.265 72 P C -0.840 176.566 177.300 0.177 0.000 1.193 72 P CA -0.238 62.934 63.100 0.119 0.000 0.765 72 P CB 0.655 32.409 31.700 0.089 0.000 0.823 73 Q N 4.413 124.258 119.800 0.075 0.000 2.300 73 Q HA 0.094 4.404 4.340 -0.049 0.000 0.280 73 Q C -1.903 174.153 176.000 0.092 0.000 1.033 73 Q CA -1.503 54.349 55.803 0.082 0.000 0.903 73 Q CB 0.195 28.948 28.738 0.024 0.000 1.195 73 Q HN 0.314 nan 8.270 nan 0.000 0.386 74 P HA 0.106 nan 4.420 nan 0.000 0.271 74 P C -1.292 176.034 177.300 0.044 0.000 1.216 74 P CA 0.015 63.156 63.100 0.069 0.000 0.771 74 P CB 0.609 32.351 31.700 0.070 0.000 0.864 75 K N 2.701 123.118 120.400 0.028 0.000 2.367 75 K HA 0.185 4.475 4.320 -0.049 0.000 0.263 75 K C 1.204 177.812 176.600 0.015 0.000 1.000 75 K CA -0.845 55.453 56.287 0.018 0.000 0.891 75 K CB 1.346 33.853 32.500 0.011 0.000 1.117 75 K HN 0.069 nan 8.250 nan 0.000 0.443 76 V N 2.586 122.510 119.914 0.016 0.000 2.392 76 V HA -0.218 3.872 4.120 -0.049 0.000 0.249 76 V C 1.622 177.721 176.094 0.009 0.000 1.059 76 V CA 1.702 64.010 62.300 0.014 0.000 1.051 76 V CB -0.367 31.465 31.823 0.015 0.000 0.658 76 V HN 0.572 nan 8.190 nan 0.000 0.455 77 L N -0.554 120.673 121.223 0.006 0.000 2.667 77 L HA 0.197 4.508 4.340 -0.049 0.000 0.232 77 L C 0.240 177.109 176.870 -0.001 0.000 1.138 77 L CA 0.232 55.073 54.840 0.002 0.000 0.921 77 L CB 0.071 42.132 42.059 0.002 0.000 1.180 77 L HN 0.236 nan 8.230 nan 0.000 0.487 78 T N 0.650 115.203 114.554 -0.001 0.000 3.418 78 T HA 0.271 4.591 4.350 -0.049 0.000 0.315 78 T C -2.338 172.357 174.700 -0.009 0.000 1.447 78 T CA -0.945 61.151 62.100 -0.007 0.000 1.641 78 T CB 0.750 69.614 68.868 -0.007 0.000 0.904 78 T HN -0.072 nan 8.240 nan 0.000 0.640 79 P HA 0.161 nan 4.420 nan 0.000 0.268 79 P C 0.731 178.017 177.300 -0.025 0.000 1.208 79 P CA -0.378 62.714 63.100 -0.014 0.000 0.777 79 P CB 0.755 32.445 31.700 -0.017 0.000 0.875 80 C N 1.235 120.520 119.300 -0.024 0.000 2.442 80 C HA -0.031 4.400 4.460 -0.049 0.000 0.279 80 C C 1.239 176.194 174.990 -0.058 0.000 1.237 80 C CA 0.613 59.609 59.018 -0.036 0.000 1.722 80 C CB -0.889 26.835 27.740 -0.027 0.000 2.056 80 C HN 0.500 nan 8.230 nan 0.000 0.469 81 R N 0.865 121.321 120.500 -0.072 0.000 2.476 81 R HA 0.280 4.590 4.340 -0.049 0.000 0.305 81 R C 0.009 176.238 176.300 -0.118 0.000 0.965 81 R CA -0.129 55.897 56.100 -0.124 0.000 0.867 81 R CB 1.029 31.210 30.300 -0.198 0.000 1.176 81 R HN 0.505 nan 8.270 nan 0.000 0.447 82 K N 0.581 120.914 120.400 -0.111 0.000 2.354 82 K HA -0.008 4.282 4.320 -0.049 0.000 0.194 82 K C 0.564 177.101 176.600 -0.106 0.000 1.038 82 K CA 0.421 56.655 56.287 -0.088 0.000 1.052 82 K CB 0.604 33.067 32.500 -0.061 0.000 0.861 82 K HN 0.480 nan 8.250 nan 0.000 0.535 83 D N 0.758 121.065 120.400 -0.156 0.000 2.333 83 D HA -0.048 4.562 4.640 -0.049 0.000 0.208 83 D C 0.759 176.929 176.300 -0.216 0.000 0.984 83 D CA 0.237 54.139 54.000 -0.162 0.000 0.873 83 D CB 0.047 40.745 40.800 -0.170 0.000 0.935 83 D HN 0.022 nan 8.370 nan 0.000 0.521 84 V N -2.479 117.245 119.914 -0.317 0.000 3.078 84 V HA 0.491 4.581 4.120 -0.049 0.000 0.311 84 V C -0.603 175.375 176.094 -0.193 0.000 1.138 84 V CA -1.572 60.499 62.300 -0.382 0.000 1.007 84 V CB 2.040 33.200 31.823 -1.105 0.000 1.045 84 V HN -0.037 nan 8.190 nan 0.000 0.432 85 L N 3.431 124.654 121.223 0.000 0.000 2.477 85 L HA 0.434 4.744 4.340 -0.049 0.000 0.272 85 L C 0.930 177.919 176.870 0.198 0.000 1.157 85 L CA 0.947 55.853 54.840 0.111 0.000 0.889 85 L CB 1.382 43.563 42.059 0.204 0.000 1.158 85 L HN 0.893 nan 8.230 nan 0.000 0.473 86 V N 3.504 123.497 119.914 0.132 0.000 3.528 86 V HA 0.409 4.499 4.120 -0.049 0.000 0.294 86 V C 0.143 176.310 176.094 0.121 0.000 1.404 86 V CA 0.138 62.558 62.300 0.200 0.000 1.065 86 V CB 0.388 32.293 31.823 0.136 0.000 0.904 86 V HN 0.471 nan 8.190 nan 0.000 0.435 87 V N 1.439 121.392 119.914 0.064 0.000 2.851 87 V HA 0.666 4.756 4.120 -0.049 0.000 0.307 87 V C 0.200 176.249 176.094 -0.074 0.000 1.129 87 V CA 0.487 62.779 62.300 -0.013 0.000 0.932 87 V CB 2.407 34.223 31.823 -0.013 0.000 1.024 87 V HN 0.669 nan 8.190 nan 0.000 0.426 88 T N 3.842 118.247 114.554 -0.249 0.000 2.788 88 T HA 0.441 4.761 4.350 -0.049 0.000 0.287 88 T C -1.944 172.500 174.700 -0.426 0.000 1.007 88 T CA -1.244 60.574 62.100 -0.470 0.000 1.005 88 T CB 1.199 69.285 68.868 -1.304 0.000 1.012 88 T HN 0.535 nan 8.240 nan 0.000 0.530 89 P HA 0.085 nan 4.420 nan 0.000 0.231 89 P C 0.301 177.664 177.300 0.104 0.000 1.158 89 P CA 0.515 63.596 63.100 -0.032 0.000 0.763 89 P CB -0.243 31.521 31.700 0.107 0.000 0.805 90 W N -1.753 119.611 121.300 0.106 0.000 3.102 90 W HA 0.515 5.143 4.660 -0.053 0.000 0.401 90 W C -0.245 176.328 176.519 0.090 0.000 1.070 90 W CA -0.559 56.838 57.345 0.086 0.000 1.921 90 W CB -0.871 28.639 29.460 0.082 0.000 1.118 90 W HN -0.331 nan 8.180 nan 0.000 0.647 91 L N 0.470 121.632 121.223 -0.101 0.000 3.898 91 L HA -0.237 4.074 4.340 -0.049 0.000 0.407 91 L C 0.559 177.407 176.870 -0.037 0.000 1.207 91 L CA 0.511 55.327 54.840 -0.040 0.000 0.931 91 L CB -2.184 39.907 42.059 0.053 0.000 2.014 91 L HN 0.382 nan 8.230 nan 0.000 0.858 92 A N -0.273 122.430 122.820 -0.194 0.000 2.301 92 A HA 0.744 5.035 4.320 -0.049 0.000 0.298 92 A C -2.092 175.447 177.584 -0.075 0.000 1.185 92 A CA -1.352 50.654 52.037 -0.052 0.000 0.830 92 A CB 0.468 19.502 19.000 0.057 0.000 1.112 92 A HN 0.014 nan 8.150 nan 0.000 0.508 93 P HA 0.179 nan 4.420 nan 0.000 0.266 93 P C -0.753 176.527 177.300 -0.034 0.000 1.195 93 P CA 0.417 63.512 63.100 -0.007 0.000 0.768 93 P CB 0.377 32.078 31.700 0.003 0.000 0.838 94 I N 2.357 122.928 120.570 0.001 0.000 2.339 94 I HA 0.194 4.334 4.170 -0.049 0.000 0.290 94 I C -0.207 175.885 176.117 -0.041 0.000 0.994 94 I CA -1.032 60.232 61.300 -0.060 0.000 1.191 94 I CB 1.510 39.525 38.000 0.025 0.000 1.343 94 I HN -0.043 nan 8.210 nan 0.000 0.458 95 V N 6.208 125.980 119.914 -0.237 0.000 2.389 95 V HA 0.201 4.292 4.120 -0.049 0.000 0.264 95 V C -0.676 175.367 176.094 -0.085 0.000 1.049 95 V CA -0.242 61.990 62.300 -0.112 0.000 0.932 95 V CB -0.242 31.397 31.823 -0.308 0.000 1.011 95 V HN 0.584 nan 8.190 nan 0.000 0.475 96 W N 1.852 123.273 121.300 0.202 0.000 2.864 96 W HA 0.582 5.204 4.660 -0.064 0.000 0.343 96 W C 0.147 176.771 176.519 0.176 0.000 1.109 96 W CA -0.989 56.456 57.345 0.168 0.000 1.192 96 W CB 1.123 30.616 29.460 0.056 0.000 1.426 96 W HN 0.415 nan 8.180 nan 0.000 0.529 97 E N 0.651 121.053 120.200 0.338 0.000 2.465 97 E HA 0.348 4.669 4.350 -0.049 0.000 0.260 97 E C 1.047 177.631 176.600 -0.027 0.000 0.980 97 E CA 2.050 58.478 56.400 0.048 0.000 0.927 97 E CB 0.353 30.068 29.700 0.026 0.000 0.934 97 E HN 0.678 nan 8.360 nan 0.000 0.459 98 G N 2.762 111.423 108.800 -0.231 0.000 2.213 98 G HA2 -0.318 3.612 3.960 -0.049 0.000 0.226 98 G HA3 -0.318 3.612 3.960 -0.049 0.000 0.226 98 G C 0.959 175.786 174.900 -0.122 0.000 0.992 98 G CA 0.762 45.760 45.100 -0.170 0.000 0.632 98 G HN 0.807 nan 8.290 nan 0.000 0.511 99 T N -1.317 113.206 114.554 -0.052 0.000 3.057 99 T HA 0.549 4.869 4.350 -0.049 0.000 0.254 99 T C 0.679 175.455 174.700 0.126 0.000 1.094 99 T CA 0.966 63.119 62.100 0.089 0.000 1.088 99 T CB -0.152 68.862 68.868 0.245 0.000 0.934 99 T HN 1.356 nan 8.240 nan 0.000 0.497 100 F N 0.037 119.992 119.950 0.008 0.000 2.576 100 F HA 0.673 5.169 4.527 -0.052 0.000 0.313 100 F C -0.827 174.941 175.800 -0.053 0.000 1.078 100 F CA -2.005 55.981 58.000 -0.023 0.000 0.921 100 F CB 1.120 40.110 39.000 -0.018 0.000 1.232 100 F HN -0.105 nan 8.300 nan 0.000 0.459 101 N N 2.828 121.575 118.700 0.079 0.000 2.462 101 N HA 0.272 4.982 4.740 -0.049 0.000 0.242 101 N C 0.526 176.100 175.510 0.106 0.000 1.010 101 N CA -0.531 52.506 53.050 -0.022 0.000 0.939 101 N CB 0.961 39.346 38.487 -0.171 0.000 1.127 101 N HN 0.832 nan 8.380 nan 0.000 0.509 102 I N 3.353 124.014 120.570 0.150 0.000 2.676 102 I HA -0.130 4.010 4.170 -0.049 0.000 0.259 102 I C 1.108 177.278 176.117 0.088 0.000 1.194 102 I CA 1.193 62.602 61.300 0.182 0.000 1.473 102 I CB -0.135 37.935 38.000 0.116 0.000 1.096 102 I HN 0.670 nan 8.210 nan 0.000 0.443 103 D N 0.375 120.795 120.400 0.033 0.000 2.117 103 D HA -0.130 4.480 4.640 -0.049 0.000 0.198 103 D C 2.319 178.632 176.300 0.021 0.000 0.982 103 D CA 1.554 55.572 54.000 0.029 0.000 0.828 103 D CB -0.125 40.688 40.800 0.021 0.000 0.967 103 D HN 0.374 nan 8.370 nan 0.000 0.464 104 I N 0.740 121.284 120.570 -0.043 0.000 2.179 104 I HA -0.230 3.910 4.170 -0.049 0.000 0.242 104 I C 2.465 178.600 176.117 0.029 0.000 1.088 104 I CA 0.729 61.998 61.300 -0.053 0.000 1.357 104 I CB -0.204 37.695 38.000 -0.169 0.000 1.051 104 I HN -0.056 nan 8.210 nan 0.000 0.409 105 L N 0.372 121.639 121.223 0.073 0.000 2.046 105 L HA -0.212 4.098 4.340 -0.049 0.000 0.208 105 L C 2.348 179.370 176.870 0.253 0.000 1.077 105 L CA 1.189 56.128 54.840 0.165 0.000 0.747 105 L CB -0.817 41.319 42.059 0.128 0.000 0.896 105 L HN 0.304 nan 8.230 nan 0.000 0.432 106 N N -0.160 118.657 118.700 0.195 0.000 2.104 106 N HA -0.188 4.522 4.740 -0.049 0.000 0.190 106 N C 1.798 177.447 175.510 0.233 0.000 1.024 106 N CA 1.141 54.353 53.050 0.269 0.000 0.853 106 N CB -0.160 38.447 38.487 0.199 0.000 1.008 106 N HN 0.332 nan 8.380 nan 0.000 0.424 107 E N 1.209 121.486 120.200 0.128 0.000 2.051 107 E HA -0.166 4.155 4.350 -0.049 0.000 0.192 107 E C 1.950 178.588 176.600 0.063 0.000 0.991 107 E CA 0.916 57.364 56.400 0.079 0.000 0.799 107 E CB -0.219 29.509 29.700 0.046 0.000 0.748 107 E HN 0.531 nan 8.360 nan 0.000 0.449 108 Q N -0.626 119.194 119.800 0.034 0.000 2.096 108 Q HA -0.140 4.170 4.340 -0.049 0.000 0.204 108 Q C 2.106 178.017 176.000 -0.147 0.000 0.982 108 Q CA 1.400 57.139 55.803 -0.107 0.000 0.850 108 Q CB -0.196 28.411 28.738 -0.220 0.000 0.901 108 Q HN 0.245 nan 8.270 nan 0.000 0.422 109 F N -0.141 119.829 119.950 0.035 0.000 2.293 109 F HA -0.037 4.460 4.527 -0.049 0.000 0.297 109 F C 2.405 178.286 175.800 0.136 0.000 1.089 109 F CA 0.492 58.521 58.000 0.048 0.000 1.377 109 F CB 0.122 39.072 39.000 -0.085 0.000 1.051 109 F HN -0.094 nan 8.300 nan 0.000 0.511 110 R N 0.528 121.231 120.500 0.339 0.000 2.092 110 R HA -0.042 4.269 4.340 -0.049 0.000 0.231 110 R C 2.156 178.517 176.300 0.103 0.000 1.119 110 R CA 0.927 57.141 56.100 0.191 0.000 0.970 110 R CB -1.105 29.230 30.300 0.058 0.000 0.864 110 R HN 0.336 nan 8.270 nan 0.000 0.440 111 L N 1.033 122.295 121.223 0.064 0.000 2.353 111 L HA -0.144 4.166 4.340 -0.049 0.000 0.220 111 L C 1.840 178.721 176.870 0.018 0.000 1.133 111 L CA 1.061 55.913 54.840 0.020 0.000 0.798 111 L CB -0.186 41.861 42.059 -0.020 0.000 0.922 111 L HN 0.100 nan 8.230 nan 0.000 0.445 112 Q N -0.474 119.349 119.800 0.038 0.000 2.319 112 Q HA 0.008 4.318 4.340 -0.049 0.000 0.202 112 Q C 0.065 176.123 176.000 0.097 0.000 0.896 112 Q CA -0.070 55.761 55.803 0.047 0.000 0.942 112 Q CB 0.070 28.826 28.738 0.029 0.000 1.083 112 Q HN 0.489 nan 8.270 nan 0.000 0.510 113 N N 1.702 120.468 118.700 0.111 0.000 2.714 113 N HA -0.131 4.579 4.740 -0.049 0.000 0.253 113 N C -1.029 174.573 175.510 0.153 0.000 1.024 113 N CA 0.018 53.137 53.050 0.116 0.000 0.726 113 N CB -0.336 38.199 38.487 0.080 0.000 0.908 113 N HN 0.094 nan 8.380 nan 0.000 0.542 114 T N 1.446 116.135 114.554 0.225 0.000 2.888 114 T HA 0.112 4.433 4.350 -0.049 0.000 0.301 114 T C 0.331 175.150 174.700 0.198 0.000 1.001 114 T CA 0.338 62.593 62.100 0.260 0.000 1.147 114 T CB 1.106 70.188 68.868 0.356 0.000 0.931 114 T HN 0.129 nan 8.240 nan 0.000 0.541 115 T N 4.263 118.926 114.554 0.182 0.000 2.779 115 T HA 0.542 4.862 4.350 -0.049 0.000 0.280 115 T C -0.084 174.717 174.700 0.168 0.000 0.987 115 T CA -0.542 61.646 62.100 0.147 0.000 0.966 115 T CB 0.501 69.454 68.868 0.140 0.000 0.933 115 T HN 0.307 nan 8.240 nan 0.000 0.442 116 I N 2.604 123.241 120.570 0.112 0.000 2.354 116 I HA 0.529 4.670 4.170 -0.049 0.000 0.292 116 I C 0.891 177.101 176.117 0.155 0.000 0.989 116 I CA -0.298 61.079 61.300 0.128 0.000 1.188 116 I CB 1.515 39.513 38.000 -0.004 0.000 1.342 116 I HN 0.705 nan 8.210 nan 0.000 0.457 117 G N 5.721 114.633 108.800 0.187 0.000 2.367 117 G HA2 0.609 4.539 3.960 -0.049 0.000 0.314 117 G HA3 0.609 4.539 3.960 -0.049 0.000 0.314 117 G C -1.351 173.657 174.900 0.180 0.000 1.130 117 G CA -0.370 44.868 45.100 0.231 0.000 0.864 117 G HN 0.459 nan 8.290 nan 0.000 0.486 118 L N 2.415 123.751 121.223 0.187 0.000 2.372 118 L HA 0.577 4.887 4.340 -0.049 0.000 0.274 118 L C 0.545 177.560 176.870 0.240 0.000 0.988 118 L CA -0.516 54.400 54.840 0.126 0.000 0.833 118 L CB 1.775 43.815 42.059 -0.032 0.000 1.236 118 L HN 0.637 nan 8.230 nan 0.000 0.410 119 T N 2.000 116.654 114.554 0.167 0.000 2.875 119 T HA 0.731 5.051 4.350 -0.049 0.000 0.284 119 T C -0.531 174.273 174.700 0.173 0.000 0.995 119 T CA -0.697 61.555 62.100 0.253 0.000 1.060 119 T CB 1.628 70.628 68.868 0.221 0.000 0.967 119 T HN 0.569 nan 8.240 nan 0.000 0.476 120 V N 3.466 123.467 119.914 0.145 0.000 2.891 120 V HA 0.629 4.719 4.120 -0.049 0.000 0.304 120 V C -1.946 174.145 176.094 -0.005 0.000 1.171 120 V CA -1.128 61.188 62.300 0.026 0.000 0.943 120 V CB 1.729 33.383 31.823 -0.282 0.000 1.037 120 V HN 0.912 nan 8.190 nan 0.000 0.427 121 F N 4.856 124.813 119.950 0.011 0.000 2.420 121 F HA 0.822 5.320 4.527 -0.049 0.000 0.342 121 F C 0.605 176.419 175.800 0.024 0.000 1.113 121 F CA -0.216 57.818 58.000 0.056 0.000 1.059 121 F CB 2.134 41.120 39.000 -0.023 0.000 1.128 121 F HN 0.648 nan 8.300 nan 0.000 0.475 122 A N 5.455 128.390 122.820 0.191 0.000 2.763 122 A HA 0.650 4.940 4.320 -0.049 0.000 0.325 122 A C -1.089 176.610 177.584 0.192 0.000 1.209 122 A CA -0.425 51.726 52.037 0.189 0.000 0.764 122 A CB -0.192 18.885 19.000 0.128 0.000 1.120 122 A HN 0.493 nan 8.150 nan 0.000 0.463 123 I N 1.868 122.556 120.570 0.196 0.000 2.412 123 I HA 0.381 4.521 4.170 -0.049 0.000 0.296 123 I C 0.820 177.053 176.117 0.194 0.000 0.987 123 I CA -0.199 61.203 61.300 0.169 0.000 1.180 123 I CB 0.940 39.028 38.000 0.145 0.000 1.340 123 I HN 0.868 nan 8.210 nan 0.000 0.455 124 K N 3.717 124.213 120.400 0.160 0.000 1.791 124 K HA -0.302 3.988 4.320 -0.049 0.000 0.140 124 K C 1.131 177.839 176.600 0.179 0.000 1.312 124 K CA 1.689 58.070 56.287 0.157 0.000 0.382 124 K CB -0.791 31.808 32.500 0.165 0.000 0.635 124 K HN 0.523 nan 8.250 nan 0.000 0.838 125 K N 0.302 120.830 120.400 0.213 0.000 2.362 125 K HA -0.090 4.201 4.320 -0.049 0.000 0.200 125 K C 1.940 178.604 176.600 0.107 0.000 1.046 125 K CA 1.496 57.853 56.287 0.116 0.000 0.952 125 K CB -0.131 32.403 32.500 0.058 0.000 0.753 125 K HN 0.314 nan 8.250 nan 0.000 0.466 126 Y N 0.591 120.964 120.300 0.122 0.000 2.616 126 Y HA -0.150 4.369 4.550 -0.051 0.000 0.296 126 Y C 2.106 178.117 175.900 0.185 0.000 1.154 126 Y CA 0.136 58.399 58.100 0.272 0.000 1.325 126 Y CB -0.169 38.460 38.460 0.282 0.000 1.007 126 Y HN -0.080 nan 8.280 nan 0.000 0.542 127 V N -2.502 117.527 119.914 0.191 0.000 2.688 127 V HA -0.263 3.827 4.120 -0.049 0.000 0.256 127 V C 2.263 178.360 176.094 0.005 0.000 1.084 127 V CA 1.475 63.832 62.300 0.096 0.000 1.103 127 V CB -1.310 30.547 31.823 0.056 0.000 0.688 127 V HN 0.320 nan 8.190 nan 0.000 0.480 128 A N 0.099 122.838 122.820 -0.134 0.000 2.024 128 A HA -0.063 4.227 4.320 -0.049 0.000 0.220 128 A C 1.883 179.279 177.584 -0.313 0.000 1.164 128 A CA 2.004 53.859 52.037 -0.303 0.000 0.643 128 A CB -0.917 17.768 19.000 -0.525 0.000 0.806 128 A HN 0.642 nan 8.150 nan 0.000 0.451 129 F N -0.882 119.055 119.950 -0.022 0.000 2.743 129 F HA 0.174 4.673 4.527 -0.047 0.000 0.297 129 F C 1.780 177.618 175.800 0.064 0.000 1.131 129 F CA 0.080 58.081 58.000 0.002 0.000 1.426 129 F CB -0.094 38.896 39.000 -0.016 0.000 1.116 129 F HN 0.091 nan 8.300 nan 0.000 0.583 130 L N 0.226 121.560 121.223 0.185 0.000 2.093 130 L HA -0.216 4.094 4.340 -0.049 0.000 0.208 130 L C 2.557 179.531 176.870 0.173 0.000 1.085 130 L CA 1.401 56.337 54.840 0.160 0.000 0.755 130 L CB -0.453 41.650 42.059 0.073 0.000 0.904 130 L HN 0.087 nan 8.230 nan 0.000 0.435 131 K N 0.371 120.834 120.400 0.105 0.000 2.002 131 K HA -0.246 4.044 4.320 -0.049 0.000 0.209 131 K C 2.131 178.794 176.600 0.104 0.000 1.048 131 K CA 1.601 57.931 56.287 0.072 0.000 0.930 131 K CB -0.193 32.326 32.500 0.032 0.000 0.714 131 K HN 0.058 nan 8.250 nan 0.000 0.438 132 L N 0.653 121.957 121.223 0.136 0.000 2.093 132 L HA -0.067 4.243 4.340 -0.049 0.000 0.208 132 L C 2.024 179.016 176.870 0.205 0.000 1.085 132 L CA 1.481 56.410 54.840 0.149 0.000 0.755 132 L CB -0.629 41.520 42.059 0.149 0.000 0.904 132 L HN 0.293 nan 8.230 nan 0.000 0.435 133 F N -0.358 119.669 119.950 0.129 0.000 2.069 133 F HA -0.257 4.240 4.527 -0.051 0.000 0.298 133 F C 2.026 177.919 175.800 0.155 0.000 1.113 133 F CA 2.065 60.169 58.000 0.174 0.000 1.214 133 F CB -0.258 38.829 39.000 0.146 0.000 0.978 133 F HN 0.037 nan 8.300 nan 0.000 0.474 134 L N -0.072 121.262 121.223 0.185 0.000 2.072 134 L HA -0.150 4.160 4.340 -0.049 0.000 0.205 134 L C 2.385 179.194 176.870 -0.102 0.000 1.079 134 L CA 1.461 56.252 54.840 -0.082 0.000 0.752 134 L CB -0.763 41.220 42.059 -0.127 0.000 0.906 134 L HN 0.163 nan 8.230 nan 0.000 0.436 135 E N -0.256 119.935 120.200 -0.015 0.000 2.077 135 E HA -0.209 4.112 4.350 -0.049 0.000 0.193 135 E C 2.158 178.760 176.600 0.002 0.000 0.989 135 E CA 1.919 58.314 56.400 -0.008 0.000 0.800 135 E CB -0.097 29.615 29.700 0.021 0.000 0.746 135 E HN 0.592 nan 8.360 nan 0.000 0.452 136 T N -1.120 113.470 114.554 0.060 0.000 2.942 136 T HA 0.074 4.394 4.350 -0.049 0.000 0.265 136 T C 2.092 176.832 174.700 0.067 0.000 1.062 136 T CA 0.748 62.944 62.100 0.160 0.000 1.139 136 T CB -0.086 68.964 68.868 0.304 0.000 0.883 136 T HN 0.134 nan 8.240 nan 0.000 0.468 137 A N 1.991 124.734 122.820 -0.128 0.000 1.940 137 A HA -0.108 4.182 4.320 -0.049 0.000 0.219 137 A C 2.428 179.887 177.584 -0.208 0.000 1.176 137 A CA 1.425 53.149 52.037 -0.522 0.000 0.631 137 A CB -0.571 18.124 19.000 -0.508 0.000 0.814 137 A HN 0.439 nan 8.150 nan 0.000 0.446 138 E N 0.171 120.322 120.200 -0.081 0.000 2.153 138 E HA -0.154 4.166 4.350 -0.049 0.000 0.194 138 E C 1.832 178.360 176.600 -0.118 0.000 0.988 138 E CA 1.230 57.607 56.400 -0.037 0.000 0.811 138 E CB -0.204 29.484 29.700 -0.021 0.000 0.746 138 E HN 0.693 nan 8.360 nan 0.000 0.466 139 K N -0.656 119.622 120.400 -0.203 0.000 2.243 139 K HA -0.013 4.277 4.320 -0.049 0.000 0.201 139 K C 1.525 177.807 176.600 -0.529 0.000 1.051 139 K CA 0.734 56.781 56.287 -0.401 0.000 0.970 139 K CB 0.240 32.399 32.500 -0.569 0.000 0.755 139 K HN 0.182 nan 8.250 nan 0.000 0.465 140 H N -2.210 116.789 119.070 -0.118 0.000 3.457 140 H HA 0.109 4.636 4.556 -0.048 0.000 0.255 140 H C -0.658 174.500 175.328 -0.282 0.000 1.082 140 H CA -0.270 55.697 56.048 -0.135 0.000 1.189 140 H CB 0.497 30.247 29.762 -0.020 0.000 1.511 140 H HN -0.022 nan 8.280 nan 0.000 0.527 141 F N 3.311 122.970 119.950 -0.486 0.000 2.361 141 F HA 0.300 4.797 4.527 -0.051 0.000 0.364 141 F C 0.586 176.169 175.800 -0.361 0.000 1.120 141 F CA -0.693 56.953 58.000 -0.590 0.000 1.102 141 F CB 0.464 38.893 39.000 -0.952 0.000 1.183 141 F HN -0.065 nan 8.300 nan 0.000 0.476 142 M N 4.654 123.763 119.600 -0.819 0.000 2.576 142 M HA -0.180 4.271 4.480 -0.049 0.000 0.200 142 M C -0.522 175.653 176.300 -0.209 0.000 0.487 142 M CA 0.329 55.254 55.300 -0.625 0.000 0.553 142 M CB -2.856 29.206 32.600 -0.896 0.000 2.042 142 M HN 0.182 nan 8.290 nan 0.000 0.758 143 V N 0.523 120.345 119.914 -0.154 0.000 2.540 143 V HA 0.362 4.452 4.120 -0.049 0.000 0.297 143 V C 1.709 177.772 176.094 -0.051 0.000 1.024 143 V CA 1.653 63.906 62.300 -0.079 0.000 1.105 143 V CB 0.753 32.537 31.823 -0.065 0.000 0.938 143 V HN 0.937 nan 8.190 nan 0.000 0.482 144 G N 3.721 112.457 108.800 -0.106 0.000 2.232 144 G HA2 -0.181 3.749 3.960 -0.049 0.000 0.226 144 G HA3 -0.181 3.749 3.960 -0.049 0.000 0.226 144 G C -0.041 174.635 174.900 -0.374 0.000 0.996 144 G CA 0.137 45.106 45.100 -0.219 0.000 0.626 144 G HN 0.789 nan 8.290 nan 0.000 0.509 145 H N 0.021 119.031 119.070 -0.100 0.000 2.615 145 H HA 0.746 5.273 4.556 -0.049 0.000 0.346 145 H C 0.641 175.916 175.328 -0.089 0.000 1.200 145 H CA -0.708 55.285 56.048 -0.091 0.000 1.264 145 H CB 0.693 30.370 29.762 -0.143 0.000 1.699 145 H HN 0.207 nan 8.280 nan 0.000 0.567 146 R N 0.869 121.412 120.500 0.072 0.000 2.389 146 R HA 0.371 4.681 4.340 -0.049 0.000 0.295 146 R C -1.011 175.287 176.300 -0.004 0.000 1.075 146 R CA -0.299 55.812 56.100 0.020 0.000 1.005 146 R CB 0.569 30.896 30.300 0.044 0.000 0.987 146 R HN 0.188 nan 8.270 nan 0.000 0.452 147 V N 2.793 122.665 119.914 -0.069 0.000 2.656 147 V HA 0.222 4.312 4.120 -0.049 0.000 0.307 147 V C -0.865 175.118 176.094 -0.184 0.000 1.051 147 V CA -0.777 61.440 62.300 -0.137 0.000 0.893 147 V CB 1.850 33.517 31.823 -0.259 0.000 0.999 147 V HN 0.782 nan 8.190 nan 0.000 0.426 148 H N 3.532 122.447 119.070 -0.258 0.000 2.800 148 H HA 0.541 5.067 4.556 -0.050 0.000 0.322 148 H C -1.382 173.674 175.328 -0.453 0.000 0.979 148 H CA -0.548 55.297 56.048 -0.338 0.000 1.277 148 H CB 0.872 30.479 29.762 -0.259 0.000 1.484 148 H HN 0.625 nan 8.280 nan 0.000 0.512 149 Y N 3.755 124.033 120.300 -0.038 0.000 2.319 149 Y HA 0.137 4.656 4.550 -0.050 0.000 0.328 149 Y C -0.599 175.164 175.900 -0.229 0.000 1.133 149 Y CA -0.287 57.782 58.100 -0.051 0.000 1.265 149 Y CB 0.646 39.108 38.460 0.004 0.000 1.218 149 Y HN 0.568 nan 8.280 nan 0.000 0.508 150 Y N 1.586 122.016 120.300 0.218 0.000 2.376 150 Y HA 0.455 4.975 4.550 -0.050 0.000 0.326 150 Y C -0.697 175.128 175.900 -0.125 0.000 0.970 150 Y CA -1.086 57.006 58.100 -0.014 0.000 1.248 150 Y CB 1.136 39.598 38.460 0.002 0.000 1.117 150 Y HN 0.244 nan 8.280 nan 0.000 0.476 151 V N 5.286 125.147 119.914 -0.089 0.000 2.348 151 V HA 0.250 4.340 4.120 -0.049 0.000 0.270 151 V C -0.421 175.513 176.094 -0.268 0.000 1.037 151 V CA -0.759 61.475 62.300 -0.110 0.000 0.872 151 V CB -0.157 31.630 31.823 -0.059 0.000 1.002 151 V HN 0.498 nan 8.190 nan 0.000 0.464 152 F N 3.327 123.089 119.950 -0.313 0.000 2.411 152 F HA 0.605 5.103 4.527 -0.049 0.000 0.355 152 F C 0.659 176.367 175.800 -0.153 0.000 1.117 152 F CA 0.093 57.887 58.000 -0.343 0.000 1.139 152 F CB 1.667 40.137 39.000 -0.884 0.000 1.120 152 F HN 0.456 nan 8.300 nan 0.000 0.493 153 T N 1.298 115.907 114.554 0.091 0.000 2.889 153 T HA 0.170 4.491 4.350 -0.049 0.000 0.315 153 T C 0.062 174.817 174.700 0.092 0.000 1.291 153 T CA -0.759 61.400 62.100 0.098 0.000 1.028 153 T CB 1.192 70.093 68.868 0.054 0.000 1.235 153 T HN 0.652 nan 8.240 nan 0.000 0.491 154 D N 1.746 122.203 120.400 0.095 0.000 2.349 154 D HA 0.040 4.650 4.640 -0.049 0.000 0.215 154 D C 0.269 176.597 176.300 0.047 0.000 1.016 154 D CA 0.320 54.361 54.000 0.069 0.000 0.870 154 D CB 0.317 41.160 40.800 0.071 0.000 0.917 154 D HN 0.590 nan 8.370 nan 0.000 0.524 155 Q N 0.378 120.205 119.800 0.045 0.000 3.122 155 Q HA 0.271 4.582 4.340 -0.049 0.000 0.282 155 Q C -2.191 173.821 176.000 0.019 0.000 0.947 155 Q CA -1.624 54.197 55.803 0.030 0.000 0.812 155 Q CB 2.038 30.796 28.738 0.033 0.000 1.333 155 Q HN -0.046 nan 8.270 nan 0.000 0.430 156 P HA -0.243 nan 4.420 nan 0.000 0.217 156 P C 0.934 178.233 177.300 -0.002 0.000 1.148 156 P CA 1.353 64.452 63.100 -0.001 0.000 0.828 156 P CB 0.320 32.017 31.700 -0.006 0.000 0.783 157 A N -0.721 122.099 122.820 0.001 0.000 2.167 157 A HA 0.185 4.475 4.320 -0.049 0.000 0.214 157 A C 2.046 179.629 177.584 -0.002 0.000 1.151 157 A CA 1.272 53.308 52.037 -0.002 0.000 0.735 157 A CB -1.019 17.981 19.000 -0.001 0.000 0.802 157 A HN 0.207 nan 8.150 nan 0.000 0.467 158 A N -0.637 122.184 122.820 0.003 0.000 2.275 158 A HA 0.439 4.730 4.320 -0.049 0.000 0.212 158 A C 0.639 178.224 177.584 0.001 0.000 1.201 158 A CA 0.010 52.048 52.037 0.002 0.000 0.843 158 A CB -0.160 18.845 19.000 0.009 0.000 0.873 158 A HN 0.189 nan 8.150 nan 0.000 0.492 159 V N 3.712 123.625 119.914 -0.001 0.000 2.479 159 V HA 0.148 4.238 4.120 -0.049 0.000 0.281 159 V C -1.814 174.274 176.094 -0.010 0.000 1.031 159 V CA -1.253 61.044 62.300 -0.005 0.000 1.038 159 V CB 0.333 32.149 31.823 -0.013 0.000 0.981 159 V HN 0.407 nan 8.190 nan 0.000 0.478 160 P HA 0.184 nan 4.420 nan 0.000 0.271 160 P C -0.568 176.721 177.300 -0.019 0.000 1.218 160 P CA -0.430 62.663 63.100 -0.012 0.000 0.780 160 P CB 0.624 32.321 31.700 -0.006 0.000 0.901 161 R N 1.630 122.119 120.500 -0.018 0.000 2.325 161 R HA 0.331 4.642 4.340 -0.049 0.000 0.323 161 R C -0.412 175.874 176.300 -0.023 0.000 1.177 161 R CA -0.559 55.529 56.100 -0.021 0.000 1.018 161 R CB 0.053 30.343 30.300 -0.017 0.000 1.070 161 R HN 0.293 nan 8.270 nan 0.000 0.495 162 V N 2.876 122.770 119.914 -0.033 0.000 2.472 162 V HA 0.157 4.248 4.120 -0.049 0.000 0.290 162 V C 0.551 176.626 176.094 -0.032 0.000 1.037 162 V CA -0.585 61.693 62.300 -0.037 0.000 0.908 162 V CB 2.018 33.803 31.823 -0.062 0.000 0.985 162 V HN 0.647 nan 8.190 nan 0.000 0.454 163 T N 6.902 121.442 114.554 -0.023 0.000 2.814 163 T HA 0.479 4.800 4.350 -0.049 0.000 0.297 163 T C -0.173 174.522 174.700 -0.009 0.000 0.956 163 T CA 0.004 62.095 62.100 -0.015 0.000 1.123 163 T CB 0.039 68.899 68.868 -0.014 0.000 0.902 163 T HN 0.333 nan 8.240 nan 0.000 0.528 164 L N 2.529 123.753 121.223 0.002 0.000 2.325 164 L HA 0.614 4.925 4.340 -0.049 0.000 0.278 164 L C 1.236 178.112 176.870 0.010 0.000 1.023 164 L CA -1.185 53.670 54.840 0.027 0.000 0.811 164 L CB 1.254 43.347 42.059 0.058 0.000 1.249 164 L HN 0.706 nan 8.230 nan 0.000 0.431 165 G N 0.366 109.172 108.800 0.011 0.000 2.667 165 G HA2 0.166 4.096 3.960 -0.049 0.000 0.250 165 G HA3 0.166 4.096 3.960 -0.049 0.000 0.250 165 G C 0.011 174.902 174.900 -0.015 0.000 1.212 165 G CA -0.227 44.868 45.100 -0.009 0.000 0.874 165 G HN 0.525 nan 8.290 nan 0.000 0.561 166 T N -1.035 113.505 114.554 -0.023 0.000 2.932 166 T HA 0.393 4.714 4.350 -0.049 0.000 0.312 166 T C 1.599 176.278 174.700 -0.035 0.000 1.071 166 T CA 1.720 63.804 62.100 -0.028 0.000 1.128 166 T CB 0.004 68.856 68.868 -0.027 0.000 0.984 166 T HN 2.053 nan 8.240 nan 0.000 0.549 167 G N 3.782 112.559 108.800 -0.038 0.000 2.148 167 G HA2 -0.219 3.711 3.960 -0.049 0.000 0.254 167 G HA3 -0.219 3.711 3.960 -0.049 0.000 0.254 167 G C 0.039 174.904 174.900 -0.059 0.000 0.981 167 G CA 0.331 45.405 45.100 -0.043 0.000 0.670 167 G HN 0.862 nan 8.290 nan 0.000 0.528 168 R N 0.012 120.475 120.500 -0.061 0.000 2.621 168 R HA 0.636 4.947 4.340 -0.049 0.000 0.292 168 R C 0.016 176.267 176.300 -0.082 0.000 0.969 168 R CA -0.673 55.380 56.100 -0.078 0.000 0.887 168 R CB 1.566 31.853 30.300 -0.021 0.000 1.180 168 R HN 0.573 nan 8.270 nan 0.000 0.450 169 Q N 2.498 122.198 119.800 -0.166 0.000 2.495 169 Q HA 0.665 4.975 4.340 -0.049 0.000 0.287 169 Q C -1.568 174.341 176.000 -0.151 0.000 1.078 169 Q CA -1.108 54.564 55.803 -0.218 0.000 0.793 169 Q CB 2.545 31.031 28.738 -0.420 0.000 1.459 169 Q HN 0.514 nan 8.270 nan 0.000 0.422 170 L N 0.817 121.990 121.223 -0.083 0.000 2.410 170 L HA 0.662 4.972 4.340 -0.049 0.000 0.270 170 L C -1.524 175.338 176.870 -0.014 0.000 0.983 170 L CA -0.322 54.541 54.840 0.038 0.000 0.822 170 L CB 2.584 44.686 42.059 0.072 0.000 1.285 170 L HN 0.837 nan 8.230 nan 0.000 0.409 171 S N 2.974 118.688 115.700 0.024 0.000 2.482 171 S HA 0.620 5.060 4.470 -0.049 0.000 0.303 171 S C -0.781 173.800 174.600 -0.032 0.000 1.091 171 S CA -0.546 57.674 58.200 0.033 0.000 1.057 171 S CB 2.022 65.303 63.200 0.135 0.000 1.031 171 S HN 0.369 nan 8.310 nan 0.000 0.485 172 V N 4.532 124.417 119.914 -0.049 0.000 2.370 172 V HA 0.407 4.497 4.120 -0.049 0.000 0.279 172 V C -0.781 175.238 176.094 -0.127 0.000 1.029 172 V CA -0.654 61.593 62.300 -0.089 0.000 0.870 172 V CB 0.984 32.775 31.823 -0.052 0.000 0.984 172 V HN 0.628 nan 8.190 nan 0.000 0.451 173 L N 4.465 125.546 121.223 -0.237 0.000 2.298 173 L HA 0.527 4.837 4.340 -0.049 0.000 0.284 173 L C 0.146 176.947 176.870 -0.115 0.000 1.013 173 L CA -0.203 54.487 54.840 -0.251 0.000 0.824 173 L CB 1.346 43.056 42.059 -0.581 0.000 1.221 173 L HN 0.728 nan 8.230 nan 0.000 0.418 174 E N 2.933 123.111 120.200 -0.036 0.000 2.259 174 E HA 0.479 4.799 4.350 -0.049 0.000 0.281 174 E C -0.743 175.897 176.600 0.067 0.000 1.037 174 E CA -0.373 56.038 56.400 0.017 0.000 0.854 174 E CB 1.300 31.005 29.700 0.009 0.000 1.051 174 E HN 0.474 nan 8.360 nan 0.000 0.409 175 V N 1.332 121.311 119.914 0.109 0.000 3.141 175 V HA 0.623 4.714 4.120 -0.049 0.000 0.312 175 V C -0.471 175.679 176.094 0.094 0.000 1.157 175 V CA -1.345 61.040 62.300 0.141 0.000 1.041 175 V CB 1.590 33.570 31.823 0.261 0.000 1.071 175 V HN 0.806 nan 8.190 nan 0.000 0.441 176 R N 1.901 122.436 120.500 0.058 0.000 2.539 176 R HA 0.773 5.083 4.340 -0.049 0.000 0.275 176 R C -0.056 176.245 176.300 0.002 0.000 1.077 176 R CA 0.204 56.288 56.100 -0.027 0.000 1.097 176 R CB 0.958 31.168 30.300 -0.151 0.000 1.018 176 R HN 1.267 nan 8.270 nan 0.000 0.483 177 A N 3.331 126.138 122.820 -0.023 0.000 2.260 177 A HA 0.332 4.623 4.320 -0.049 0.000 0.308 177 A C -1.077 176.486 177.584 -0.036 0.000 1.254 177 A CA -0.720 51.340 52.037 0.038 0.000 0.874 177 A CB 0.078 19.112 19.000 0.058 0.000 1.153 177 A HN 0.679 nan 8.150 nan 0.000 0.527 178 Y N 1.461 121.774 120.300 0.022 0.000 2.326 178 Y HA 0.166 4.686 4.550 -0.048 0.000 0.333 178 Y C 1.700 177.609 175.900 0.014 0.000 1.240 178 Y CA 0.255 58.358 58.100 0.004 0.000 1.365 178 Y CB 1.140 39.585 38.460 -0.024 0.000 1.289 178 Y HN 0.850 nan 8.280 nan 0.000 0.548 179 K N 1.587 122.083 120.400 0.160 0.000 2.001 179 K HA -0.061 4.230 4.320 -0.049 0.000 0.208 179 K C -0.003 176.662 176.600 0.108 0.000 1.048 179 K CA 1.045 57.396 56.287 0.106 0.000 0.932 179 K CB 0.051 32.596 32.500 0.074 0.000 0.715 179 K HN 0.623 nan 8.250 nan 0.000 0.437 180 R N 1.229 121.769 120.500 0.065 0.000 2.390 180 R HA 0.002 4.312 4.340 -0.049 0.000 0.291 180 R C 1.257 177.527 176.300 -0.050 0.000 1.070 180 R CA -0.259 55.818 56.100 -0.038 0.000 1.014 180 R CB 0.376 30.574 30.300 -0.171 0.000 1.007 180 R HN 0.502 nan 8.270 nan 0.000 0.466 181 W N 3.380 124.667 121.300 -0.021 0.000 2.374 181 W HA -0.224 4.405 4.660 -0.052 0.000 0.288 181 W C 0.478 176.908 176.519 -0.149 0.000 1.218 181 W CA 0.720 58.027 57.345 -0.063 0.000 1.245 181 W CB -0.399 29.054 29.460 -0.013 0.000 1.126 181 W HN 0.552 nan 8.180 nan 0.000 0.545 182 Q N 1.239 120.424 119.800 -1.026 0.000 2.096 182 Q HA -0.174 4.136 4.340 -0.049 0.000 0.204 182 Q C 1.860 177.551 176.000 -0.514 0.000 0.982 182 Q CA 2.440 57.593 55.803 -1.082 0.000 0.850 182 Q CB -0.601 27.381 28.738 -1.260 0.000 0.901 182 Q HN 0.227 nan 8.270 nan 0.000 0.422 183 D N -0.542 119.618 120.400 -0.400 0.000 2.123 183 D HA -0.093 4.517 4.640 -0.049 0.000 0.200 183 D C 1.947 178.017 176.300 -0.384 0.000 0.976 183 D CA 0.941 54.702 54.000 -0.399 0.000 0.831 183 D CB -0.029 40.541 40.800 -0.383 0.000 0.974 183 D HN 0.073 nan 8.370 nan 0.000 0.469 184 V N 0.925 120.732 119.914 -0.178 0.000 2.287 184 V HA -0.249 3.841 4.120 -0.049 0.000 0.248 184 V C 2.636 178.609 176.094 -0.202 0.000 1.053 184 V CA 1.983 64.225 62.300 -0.096 0.000 1.027 184 V CB -0.661 31.162 31.823 0.001 0.000 0.646 184 V HN 0.179 nan 8.190 nan 0.000 0.447 185 S N -0.869 114.732 115.700 -0.164 0.000 2.355 185 S HA -0.195 4.245 4.470 -0.049 0.000 0.222 185 S C 2.017 176.496 174.600 -0.203 0.000 1.031 185 S CA 2.009 60.119 58.200 -0.150 0.000 0.993 185 S CB -0.269 62.941 63.200 0.016 0.000 0.859 185 S HN 0.498 nan 8.310 nan 0.000 0.453 186 M N 0.654 120.135 119.600 -0.198 0.000 2.117 186 M HA 0.006 4.457 4.480 -0.049 0.000 0.262 186 M C 2.047 178.198 176.300 -0.249 0.000 1.065 186 M CA 1.150 56.345 55.300 -0.176 0.000 1.114 186 M CB -0.278 32.233 32.600 -0.149 0.000 1.361 186 M HN 0.094 nan 8.290 nan 0.000 0.408 187 R N 0.496 120.794 120.500 -0.337 0.000 2.357 187 R HA -0.004 4.307 4.340 -0.049 0.000 0.202 187 R C 1.804 177.879 176.300 -0.375 0.000 1.047 187 R CA 0.630 56.526 56.100 -0.340 0.000 1.034 187 R CB -0.808 29.236 30.300 -0.426 0.000 0.875 187 R HN 0.498 nan 8.270 nan 0.000 0.473 188 R N -0.116 120.055 120.500 -0.549 0.000 2.105 188 R HA -0.064 4.247 4.340 -0.049 0.000 0.239 188 R C 2.009 178.062 176.300 -0.411 0.000 1.135 188 R CA 1.213 56.800 56.100 -0.856 0.000 0.967 188 R CB -0.201 29.480 30.300 -1.031 0.000 0.861 188 R HN 0.101 nan 8.270 nan 0.000 0.442 189 M N 0.475 119.908 119.600 -0.278 0.000 2.086 189 M HA -0.175 4.275 4.480 -0.049 0.000 0.261 189 M C 2.154 178.311 176.300 -0.239 0.000 1.067 189 M CA 1.576 56.762 55.300 -0.190 0.000 1.116 189 M CB -0.952 31.557 32.600 -0.151 0.000 1.348 189 M HN 0.206 nan 8.290 nan 0.000 0.407 190 E N 0.178 120.166 120.200 -0.353 0.000 2.058 190 E HA -0.198 4.122 4.350 -0.049 0.000 0.194 190 E C 2.037 178.451 176.600 -0.310 0.000 0.997 190 E CA 1.385 57.445 56.400 -0.566 0.000 0.801 190 E CB 0.003 29.224 29.700 -0.797 0.000 0.746 190 E HN 0.464 nan 8.360 nan 0.000 0.450 191 M N 0.032 119.503 119.600 -0.214 0.000 2.175 191 M HA -0.123 4.327 4.480 -0.049 0.000 0.264 191 M C 2.261 178.496 176.300 -0.108 0.000 1.063 191 M CA 1.161 56.397 55.300 -0.106 0.000 1.119 191 M CB -0.135 32.460 32.600 -0.009 0.000 1.377 191 M HN 0.172 nan 8.290 nan 0.000 0.415 192 I N -0.253 120.251 120.570 -0.110 0.000 2.353 192 I HA -0.146 3.994 4.170 -0.049 0.000 0.248 192 I C 1.746 177.824 176.117 -0.065 0.000 1.119 192 I CA 0.208 61.510 61.300 0.004 0.000 1.417 192 I CB -0.345 37.648 38.000 -0.012 0.000 1.078 192 I HN 0.269 nan 8.210 nan 0.000 0.421 196 C N -0.344 118.945 119.300 -0.019 0.000 2.854 196 C HA 0.298 4.728 4.460 -0.049 0.000 0.524 196 C C 0.172 175.126 174.990 -0.060 0.000 1.332 196 C CA -0.104 58.903 59.018 -0.018 0.000 2.553 196 C CB 0.461 28.181 27.740 -0.033 0.000 3.360 196 C HN 0.585 nan 8.230 nan 0.000 0.541 197 E N 1.724 121.829 120.200 -0.159 0.000 2.133 197 E HA 0.351 4.671 4.350 -0.049 0.000 0.274 197 E C 0.181 176.582 176.600 -0.332 0.000 0.930 197 E CA -0.079 56.116 56.400 -0.342 0.000 0.770 197 E CB 0.956 30.288 29.700 -0.614 0.000 1.104 197 E HN 0.345 nan 8.360 nan 0.000 0.403 198 R N 1.763 122.103 120.500 -0.267 0.000 2.446 198 R HA 0.078 4.388 4.340 -0.049 0.000 0.254 198 R C 1.698 177.906 176.300 -0.153 0.000 0.918 198 R CA 0.062 56.101 56.100 -0.102 0.000 1.069 198 R CB 0.535 30.836 30.300 0.001 0.000 1.194 198 R HN 0.440 nan 8.270 nan 0.000 0.534 199 R N -0.163 120.142 120.500 -0.325 0.000 2.148 199 R HA 0.017 4.327 4.340 -0.049 0.000 0.223 199 R C 1.115 177.347 176.300 -0.114 0.000 1.088 199 R CA 1.005 56.972 56.100 -0.221 0.000 0.985 199 R CB -0.503 29.651 30.300 -0.244 0.000 0.880 199 R HN -0.091 nan 8.270 nan 0.000 0.451 200 F N 2.062 121.936 119.950 -0.127 0.000 2.126 200 F HA -0.085 4.413 4.527 -0.049 0.000 0.299 200 F C 2.242 178.019 175.800 -0.038 0.000 1.096 200 F CA 0.672 58.591 58.000 -0.134 0.000 1.255 200 F CB -0.829 38.061 39.000 -0.182 0.000 0.997 200 F HN -0.089 nan 8.300 nan 0.000 0.479 201 L N -0.223 121.102 121.223 0.170 0.000 2.127 201 L HA -0.240 4.070 4.340 -0.049 0.000 0.211 201 L C 2.438 179.361 176.870 0.087 0.000 1.089 201 L CA 1.761 56.668 54.840 0.111 0.000 0.757 201 L CB -0.764 41.353 42.059 0.097 0.000 0.899 201 L HN 0.265 nan 8.230 nan 0.000 0.434 202 S N -2.048 113.702 115.700 0.083 0.000 2.501 202 S HA 0.000 4.441 4.470 -0.049 0.000 0.220 202 S C 1.534 176.196 174.600 0.104 0.000 0.997 202 S CA 0.123 58.368 58.200 0.076 0.000 0.919 202 S CB 0.109 63.343 63.200 0.057 0.000 0.778 202 S HN 0.471 nan 8.310 nan 0.000 0.523 203 E N 0.644 120.929 120.200 0.142 0.000 2.372 203 E HA 0.220 4.540 4.350 -0.049 0.000 0.201 203 E C 0.349 177.076 176.600 0.211 0.000 0.938 203 E CA 0.411 56.928 56.400 0.196 0.000 0.944 203 E CB 1.330 31.180 29.700 0.249 0.000 0.937 203 E HN 0.543 nan 8.360 nan 0.000 0.495 204 V N -1.934 118.092 119.914 0.186 0.000 3.130 204 V HA 0.347 4.438 4.120 -0.049 0.000 0.310 204 V C -0.338 175.805 176.094 0.081 0.000 1.158 204 V CA -0.846 61.551 62.300 0.162 0.000 1.029 204 V CB 2.218 34.159 31.823 0.197 0.000 1.057 204 V HN -0.188 nan 8.190 nan 0.000 0.436 205 D N -0.264 120.172 120.400 0.060 0.000 2.324 205 D HA 0.181 4.792 4.640 -0.049 0.000 0.212 205 D C -0.416 175.674 176.300 -0.350 0.000 0.984 205 D CA 1.599 55.531 54.000 -0.113 0.000 0.885 205 D CB 0.428 41.193 40.800 -0.059 0.000 0.996 205 D HN 0.642 nan 8.370 nan 0.000 0.505 206 Y N -0.215 120.117 120.300 0.054 0.000 2.536 206 Y HA 0.500 5.020 4.550 -0.049 0.000 0.347 206 Y C -0.216 175.684 175.900 -0.001 0.000 1.000 206 Y CA -0.830 57.294 58.100 0.039 0.000 1.051 206 Y CB 2.128 40.619 38.460 0.052 0.000 1.259 206 Y HN -0.335 nan 8.280 nan 0.000 0.468 207 L N 2.773 124.061 121.223 0.109 0.000 2.341 207 L HA 0.738 5.049 4.340 -0.049 0.000 0.278 207 L C -1.240 175.636 176.870 0.009 0.000 1.005 207 L CA -1.038 53.771 54.840 -0.052 0.000 0.818 207 L CB 1.846 43.734 42.059 -0.286 0.000 1.259 207 L HN 0.338 nan 8.230 nan 0.000 0.418 208 V N 1.814 121.750 119.914 0.036 0.000 2.487 208 V HA 0.380 4.471 4.120 -0.049 0.000 0.298 208 V C -0.669 175.357 176.094 -0.114 0.000 1.028 208 V CA -0.555 61.798 62.300 0.087 0.000 0.860 208 V CB 1.808 33.845 31.823 0.356 0.000 0.991 208 V HN 0.813 nan 8.190 nan 0.000 0.427 209 C N 5.556 124.648 119.300 -0.347 0.000 2.301 209 C HA 0.804 5.234 4.460 -0.049 0.000 0.323 209 C C 0.107 174.900 174.990 -0.329 0.000 1.265 209 C CA -0.777 57.964 59.018 -0.462 0.000 1.503 209 C CB 0.480 27.609 27.740 -1.019 0.000 2.195 209 C HN 0.789 nan 8.230 nan 0.000 0.477 210 V N -0.022 119.827 119.914 -0.108 0.000 3.040 210 V HA 0.691 4.781 4.120 -0.049 0.000 0.312 210 V C -0.786 175.342 176.094 0.056 0.000 1.115 210 V CA -0.571 61.729 62.300 0.001 0.000 0.998 210 V CB 1.652 33.475 31.823 -0.000 0.000 1.042 210 V HN 0.584 nan 8.190 nan 0.000 0.433 211 D N 0.748 121.193 120.400 0.075 0.000 2.362 211 D HA 0.309 4.919 4.640 -0.049 0.000 0.242 211 D C 0.645 176.897 176.300 -0.081 0.000 1.132 211 D CA 0.180 54.178 54.000 -0.004 0.000 0.907 211 D CB 1.987 42.764 40.800 -0.039 0.000 1.195 211 D HN 0.479 nan 8.370 nan 0.000 0.429 212 V N 1.160 120.972 119.914 -0.169 0.000 3.174 212 V HA -0.073 4.017 4.120 -0.049 0.000 0.254 212 V C 0.352 176.317 176.094 -0.215 0.000 1.120 212 V CA 0.634 62.742 62.300 -0.320 0.000 1.114 212 V CB -0.163 31.553 31.823 -0.178 0.000 0.756 212 V HN 0.556 nan 8.190 nan 0.000 0.467 213 D N 1.173 121.313 120.400 -0.433 0.000 2.885 213 D HA 0.133 4.743 4.640 -0.049 0.000 0.234 213 D C 0.034 176.041 176.300 -0.490 0.000 1.129 213 D CA 0.200 53.623 54.000 -0.960 0.000 0.991 213 D CB 0.012 40.056 40.800 -1.260 0.000 1.137 213 D HN 0.263 nan 8.370 nan 0.000 0.459 214 M N 0.747 120.215 119.600 -0.220 0.000 2.644 214 M HA 0.341 4.791 4.480 -0.049 0.000 0.273 214 M C -0.727 175.536 176.300 -0.061 0.000 1.253 214 M CA -0.514 54.607 55.300 -0.298 0.000 0.852 214 M CB 2.617 34.848 32.600 -0.615 0.000 1.708 214 M HN 0.220 nan 8.290 nan 0.000 0.471 215 E N 0.506 120.587 120.200 -0.198 0.000 2.356 215 E HA 0.684 5.005 4.350 -0.049 0.000 0.275 215 E C -1.745 174.834 176.600 -0.034 0.000 0.904 215 E CA -0.681 55.711 56.400 -0.014 0.000 0.757 215 E CB 1.924 31.653 29.700 0.049 0.000 1.232 215 E HN 0.326 nan 8.360 nan 0.000 0.442 216 F N 1.369 121.423 119.950 0.174 0.000 2.412 216 F HA 0.376 4.874 4.527 -0.048 0.000 0.348 216 F C 1.557 177.340 175.800 -0.028 0.000 1.102 216 F CA -0.369 57.716 58.000 0.141 0.000 1.196 216 F CB 1.112 40.181 39.000 0.114 0.000 1.144 216 F HN 0.447 nan 8.300 nan 0.000 0.541 217 R N 0.247 120.698 120.500 -0.082 0.000 2.419 217 R HA 0.170 4.481 4.340 -0.049 0.000 0.235 217 R C -0.492 175.445 176.300 -0.606 0.000 0.899 217 R CA 0.036 55.982 56.100 -0.256 0.000 1.048 217 R CB 0.563 30.782 30.300 -0.136 0.000 1.182 217 R HN 0.582 nan 8.270 nan 0.000 0.544 218 D N -1.001 119.014 120.400 -0.642 0.000 2.692 218 D HA 0.031 4.642 4.640 -0.049 0.000 0.303 218 D C -1.425 174.822 176.300 -0.089 0.000 1.278 218 D CA -0.786 52.982 54.000 -0.387 0.000 0.852 218 D CB 1.016 41.742 40.800 -0.123 0.000 1.375 218 D HN -0.027 nan 8.370 nan 0.000 0.453 219 H N -0.122 118.975 119.070 0.045 0.000 3.125 219 H HA 0.345 4.871 4.556 -0.050 0.000 0.310 219 H C -0.835 174.554 175.328 0.101 0.000 0.980 219 H CA 0.710 56.830 56.048 0.121 0.000 1.422 219 H CB 0.263 30.099 29.762 0.122 0.000 1.432 219 H HN -0.078 nan 8.280 nan 0.000 0.577 220 V N 6.246 125.980 119.914 -0.300 0.000 2.380 220 V HA 0.516 4.606 4.120 -0.049 0.000 0.286 220 V C 0.668 176.410 176.094 -0.587 0.000 1.015 220 V CA 0.192 62.412 62.300 -0.133 0.000 0.834 220 V CB 1.206 33.225 31.823 0.328 0.000 1.009 220 V HN 1.044 nan 8.190 nan 0.000 0.428 221 G N 2.216 110.638 108.800 -0.630 0.000 3.243 221 G HA2 0.516 4.446 3.960 -0.049 0.000 0.248 221 G HA3 0.516 4.446 3.960 -0.049 0.000 0.248 221 G C 0.825 175.383 174.900 -0.569 0.000 1.267 221 G CA 0.226 44.950 45.100 -0.625 0.000 0.906 221 G HN 0.804 nan 8.290 nan 0.000 0.592 222 V N -0.375 119.166 119.914 -0.622 0.000 3.241 222 V HA -0.012 4.079 4.120 -0.049 0.000 0.269 222 V C 2.226 177.807 176.094 -0.855 0.000 1.151 222 V CA 2.176 63.892 62.300 -0.973 0.000 1.158 222 V CB -0.606 30.464 31.823 -1.254 0.000 0.764 222 V HN 0.740 nan 8.190 nan 0.000 0.508 223 E N 2.886 122.713 120.200 -0.621 0.000 2.267 223 E HA -0.265 4.055 4.350 -0.049 0.000 0.197 223 E C 2.002 178.200 176.600 -0.670 0.000 0.998 223 E CA 2.215 58.205 56.400 -0.683 0.000 0.830 223 E CB -0.661 28.308 29.700 -1.219 0.000 0.751 223 E HN 0.879 nan 8.360 nan 0.000 0.491 224 I N -1.487 118.633 120.570 -0.749 0.000 3.059 224 I HA 0.142 4.283 4.170 -0.049 0.000 0.270 224 I C 0.860 176.492 176.117 -0.809 0.000 1.238 224 I CA -0.199 60.550 61.300 -0.919 0.000 1.478 224 I CB -0.077 37.240 38.000 -1.138 0.000 1.097 224 I HN -0.150 nan 8.210 nan 0.000 0.455 225 L N 1.901 122.679 121.223 -0.742 0.000 2.380 225 L HA 0.456 4.766 4.340 -0.049 0.000 0.273 225 L C 0.214 176.917 176.870 -0.279 0.000 1.138 225 L CA 0.253 54.667 54.840 -0.711 0.000 0.832 225 L CB 1.104 42.339 42.059 -1.373 0.000 1.124 225 L HN 0.225 nan 8.230 nan 0.000 0.454 226 T N 1.746 116.307 114.554 0.013 0.000 2.774 226 T HA 0.203 4.524 4.350 -0.049 0.000 0.325 226 T C -2.387 172.554 174.700 0.403 0.000 1.753 226 T CA -0.677 61.569 62.100 0.244 0.000 1.024 226 T CB 1.408 70.369 68.868 0.154 0.000 1.628 226 T HN 0.199 nan 8.240 nan 0.000 0.497 227 P HA 0.107 nan 4.420 nan 0.000 0.216 227 P C -0.242 177.185 177.300 0.211 0.000 1.153 227 P CA 0.796 64.044 63.100 0.248 0.000 0.858 227 P CB 0.173 31.977 31.700 0.173 0.000 0.789 228 L N -1.357 119.990 121.223 0.208 0.000 2.562 228 L HA 0.488 4.798 4.340 -0.049 0.000 0.266 228 L C -1.494 175.484 176.870 0.180 0.000 0.949 228 L CA -1.201 53.718 54.840 0.133 0.000 0.879 228 L CB 0.971 43.095 42.059 0.109 0.000 1.278 228 L HN -0.146 nan 8.230 nan 0.000 0.404 229 F N 2.340 122.319 119.950 0.050 0.000 2.588 229 F HA 1.029 5.524 4.527 -0.052 0.000 0.314 229 F C 0.006 175.785 175.800 -0.036 0.000 1.069 229 F CA -0.493 57.496 58.000 -0.018 0.000 0.931 229 F CB 1.619 40.556 39.000 -0.105 0.000 1.260 229 F HN 0.620 nan 8.300 nan 0.000 0.465 230 G N 0.145 109.009 108.800 0.106 0.000 2.685 230 G HA2 0.626 4.556 3.960 -0.049 0.000 0.298 230 G HA3 0.626 4.556 3.960 -0.049 0.000 0.298 230 G C -1.760 173.281 174.900 0.234 0.000 1.277 230 G CA -1.116 44.010 45.100 0.044 0.000 0.986 230 G HN 0.760 nan 8.290 nan 0.000 0.487 231 T N 0.874 115.589 114.554 0.268 0.000 2.824 231 T HA 0.421 4.741 4.350 -0.049 0.000 0.282 231 T C 0.111 174.933 174.700 0.203 0.000 0.993 231 T CA -0.325 61.852 62.100 0.128 0.000 0.967 231 T CB 1.323 70.226 68.868 0.057 0.000 0.960 231 T HN 0.337 nan 8.240 nan 0.000 0.441 232 L N 3.872 125.130 121.223 0.059 0.000 2.477 232 L HA 0.148 4.458 4.340 -0.049 0.000 0.272 232 L C 1.130 178.135 176.870 0.225 0.000 1.157 232 L CA -0.516 54.369 54.840 0.075 0.000 0.889 232 L CB 0.072 42.119 42.059 -0.020 0.000 1.158 232 L HN 0.611 nan 8.230 nan 0.000 0.473 233 H N 7.130 126.327 119.070 0.212 0.000 2.964 233 H HA 0.027 4.554 4.556 -0.048 0.000 0.328 233 H C -1.619 173.916 175.328 0.345 0.000 1.030 233 H CA -1.429 54.800 56.048 0.303 0.000 1.445 233 H CB 1.450 31.507 29.762 0.491 0.000 1.449 233 H HN 0.402 nan 8.280 nan 0.000 0.581 234 P HA -0.069 nan 4.420 nan 0.000 0.226 234 P C 0.955 178.462 177.300 0.344 0.000 1.153 234 P CA 0.713 64.016 63.100 0.338 0.000 0.777 234 P CB 0.426 32.002 31.700 -0.207 0.000 0.794 235 S N -1.660 114.236 115.700 0.326 0.000 2.558 235 S HA 0.170 4.610 4.470 -0.049 0.000 0.217 235 S C 0.824 175.077 174.600 -0.578 0.000 0.975 235 S CA 0.373 58.430 58.200 -0.239 0.000 0.912 235 S CB -0.496 62.380 63.200 -0.540 0.000 0.776 235 S HN 0.164 nan 8.310 nan 0.000 0.526 236 F N -0.695 119.333 119.950 0.130 0.000 2.856 236 F HA 0.235 4.730 4.527 -0.054 0.000 0.338 236 F C 1.308 177.217 175.800 0.181 0.000 1.100 236 F CA -1.018 57.019 58.000 0.061 0.000 1.150 236 F CB -0.114 38.828 39.000 -0.096 0.000 1.101 236 F HN 0.235 nan 8.300 nan 0.000 0.548 237 Y N -0.708 119.804 120.300 0.354 0.000 2.333 237 Y HA 0.150 4.722 4.550 0.036 0.000 0.290 237 Y C 1.820 177.931 175.900 0.351 0.000 1.144 237 Y CA 1.223 59.532 58.100 0.348 0.000 1.228 237 Y CB -1.068 37.583 38.460 0.318 0.000 0.985 237 Y HN -0.020 nan 8.280 nan 0.000 0.542 238 G N -0.034 108.596 108.800 -0.284 0.000 3.337 238 G HA2 0.210 4.140 3.960 -0.049 0.000 0.246 238 G HA3 0.210 4.140 3.960 -0.049 0.000 0.246 238 G C -0.221 174.687 174.900 0.013 0.000 1.131 238 G CA -0.167 44.865 45.100 -0.114 0.000 0.773 238 G HN 0.266 nan 8.290 nan 0.000 0.544 239 S N 0.366 116.149 115.700 0.139 0.000 2.616 239 S HA 0.523 4.963 4.470 -0.049 0.000 0.277 239 S C 0.586 175.195 174.600 0.015 0.000 1.234 239 S CA -0.545 57.729 58.200 0.123 0.000 1.028 239 S CB 1.567 64.933 63.200 0.275 0.000 0.988 239 S HN 0.483 nan 8.310 nan 0.000 0.522 240 S N 1.462 117.074 115.700 -0.146 0.000 2.585 240 S HA 0.162 4.602 4.470 -0.049 0.000 0.273 240 S C 1.213 175.361 174.600 -0.754 0.000 1.339 240 S CA -0.693 57.324 58.200 -0.305 0.000 1.028 240 S CB 0.473 63.559 63.200 -0.189 0.000 0.906 240 S HN 0.801 nan 8.310 nan 0.000 0.528 241 R N 1.430 121.401 120.500 -0.881 0.000 2.152 241 R HA -0.114 4.196 4.340 -0.049 0.000 0.232 241 R C 1.491 177.356 176.300 -0.725 0.000 1.117 241 R CA 1.463 56.789 56.100 -1.291 0.000 0.981 241 R CB -0.690 29.296 30.300 -0.523 0.000 0.870 241 R HN 0.793 nan 8.270 nan 0.000 0.451 242 E N 1.542 121.504 120.200 -0.398 0.000 2.204 242 E HA -0.126 4.195 4.350 -0.049 0.000 0.194 242 E C 1.759 178.247 176.600 -0.188 0.000 0.989 242 E CA 1.319 57.593 56.400 -0.211 0.000 0.824 242 E CB -0.174 29.451 29.700 -0.125 0.000 0.756 242 E HN 0.540 nan 8.360 nan 0.000 0.477 243 A N 1.179 123.855 122.820 -0.239 0.000 2.132 243 A HA 0.136 4.426 4.320 -0.049 0.000 0.213 243 A C 0.964 178.521 177.584 -0.046 0.000 1.154 243 A CA -0.434 51.549 52.037 -0.091 0.000 0.753 243 A CB -0.547 18.440 19.000 -0.022 0.000 0.826 243 A HN 0.162 nan 8.150 nan 0.000 0.469 244 F N 1.359 121.091 119.950 -0.364 0.000 2.629 244 F HA 0.018 4.506 4.527 -0.064 0.000 0.377 244 F C 1.527 176.836 175.800 -0.818 0.000 1.101 244 F CA 0.409 57.878 58.000 -0.885 0.000 1.301 244 F CB 0.636 38.946 39.000 -1.150 0.000 1.062 244 F HN 0.174 nan 8.300 nan 0.000 0.583 245 T N 1.212 115.184 114.554 -0.971 0.000 3.624 245 T HA 0.173 4.494 4.350 -0.049 0.000 0.231 245 T C -0.079 174.640 174.700 0.032 0.000 0.865 245 T CA -0.376 61.503 62.100 -0.368 0.000 0.926 245 T CB -1.190 67.522 68.868 -0.259 0.000 1.189 245 T HN 0.357 nan 8.240 nan 0.000 0.640 246 Y N 0.934 121.302 120.300 0.114 0.000 2.459 246 Y HA 0.168 4.699 4.550 -0.032 0.000 0.349 246 Y C 1.191 177.167 175.900 0.128 0.000 1.266 246 Y CA -1.176 57.039 58.100 0.192 0.000 1.483 246 Y CB 0.437 38.977 38.460 0.132 0.000 1.362 246 Y HN 0.254 nan 8.280 nan 0.000 0.628 247 E N 1.587 121.945 120.200 0.263 0.000 2.351 247 E HA -0.001 4.319 4.350 -0.049 0.000 0.266 247 E C -0.007 176.715 176.600 0.202 0.000 1.031 247 E CA 0.012 56.498 56.400 0.143 0.000 0.911 247 E CB 0.502 30.221 29.700 0.033 0.000 0.986 247 E HN 0.380 nan 8.360 nan 0.000 0.446 248 R N 3.750 124.372 120.500 0.203 0.000 2.397 248 R HA 0.187 4.498 4.340 -0.049 0.000 0.241 248 R C -0.046 176.434 176.300 0.300 0.000 0.914 248 R CA 0.003 56.274 56.100 0.285 0.000 1.071 248 R CB 0.091 30.500 30.300 0.181 0.000 1.116 248 R HN 0.391 nan 8.270 nan 0.000 0.524 249 R N 1.527 122.116 120.500 0.149 0.000 2.234 249 R HA 0.172 4.482 4.340 -0.049 0.000 0.324 249 R C -1.722 174.435 176.300 -0.238 0.000 1.054 249 R CA -1.659 54.418 56.100 -0.039 0.000 0.912 249 R CB 0.813 31.088 30.300 -0.042 0.000 1.030 249 R HN -0.176 nan 8.270 nan 0.000 0.455 250 P HA -0.141 nan 4.420 nan 0.000 0.223 250 P C 0.379 177.446 177.300 -0.387 0.000 1.144 250 P CA 0.970 63.463 63.100 -1.012 0.000 0.783 250 P CB 0.369 31.565 31.700 -0.839 0.000 0.771 251 Q N -1.208 118.459 119.800 -0.222 0.000 2.435 251 Q HA 0.046 4.357 4.340 -0.049 0.000 0.207 251 Q C 0.895 176.860 176.000 -0.059 0.000 0.956 251 Q CA 0.472 56.206 55.803 -0.115 0.000 0.917 251 Q CB -0.353 28.333 28.738 -0.087 0.000 0.997 251 Q HN 0.098 nan 8.270 nan 0.000 0.497 252 S N -0.347 115.329 115.700 -0.039 0.000 2.541 252 S HA 0.113 4.553 4.470 -0.049 0.000 0.283 252 S C 0.781 175.415 174.600 0.056 0.000 1.196 252 S CA -0.673 57.536 58.200 0.014 0.000 1.062 252 S CB 0.879 64.081 63.200 0.003 0.000 1.009 252 S HN 0.058 nan 8.310 nan 0.000 0.502 253 Q N 2.743 122.591 119.800 0.080 0.000 2.291 253 Q HA -0.018 4.293 4.340 -0.049 0.000 0.206 253 Q C 1.824 177.871 176.000 0.078 0.000 0.976 253 Q CA 1.379 57.244 55.803 0.103 0.000 0.875 253 Q CB -0.619 28.205 28.738 0.144 0.000 0.927 253 Q HN 0.787 nan 8.270 nan 0.000 0.450 254 A N -0.246 122.553 122.820 -0.036 0.000 2.251 254 A HA -0.036 4.254 4.320 -0.049 0.000 0.209 254 A C 0.393 177.944 177.584 -0.055 0.000 1.187 254 A CA -0.449 51.484 52.037 -0.173 0.000 0.823 254 A CB -0.493 18.174 19.000 -0.556 0.000 0.846 254 A HN 0.285 nan 8.150 nan 0.000 0.486 255 Y N 0.905 121.149 120.300 -0.093 0.000 2.717 255 Y HA 0.303 4.824 4.550 -0.048 0.000 0.330 255 Y C -0.366 175.485 175.900 -0.083 0.000 1.217 255 Y CA -0.167 57.895 58.100 -0.064 0.000 1.506 255 Y CB -0.072 38.363 38.460 -0.041 0.000 1.268 255 Y HN 0.211 nan 8.280 nan 0.000 0.561 256 I N 9.544 129.760 120.570 -0.589 0.000 2.512 256 I HA 0.305 4.445 4.170 -0.049 0.000 0.287 256 I C -2.318 173.424 176.117 -0.624 0.000 1.069 256 I CA -2.230 58.666 61.300 -0.673 0.000 1.056 256 I CB 2.112 39.756 38.000 -0.594 0.000 1.229 256 I HN 0.502 nan 8.210 nan 0.000 0.429 257 P HA 0.138 nan 4.420 nan 0.000 0.274 257 P C -0.004 177.260 177.300 -0.060 0.000 1.256 257 P CA -0.424 62.511 63.100 -0.274 0.000 0.795 257 P CB 1.085 32.683 31.700 -0.170 0.000 1.038 258 K N 0.640 121.045 120.400 0.008 0.000 2.362 258 K HA -0.094 4.196 4.320 -0.049 0.000 0.200 258 K C 0.815 177.411 176.600 -0.006 0.000 1.046 258 K CA 1.287 57.584 56.287 0.016 0.000 0.952 258 K CB -0.473 32.033 32.500 0.010 0.000 0.753 258 K HN 0.576 nan 8.250 nan 0.000 0.466 259 D N -0.049 120.345 120.400 -0.011 0.000 2.340 259 D HA 0.021 4.631 4.640 -0.049 0.000 0.217 259 D C 0.042 176.333 176.300 -0.015 0.000 1.081 259 D CA 0.005 53.995 54.000 -0.016 0.000 0.842 259 D CB 0.092 40.883 40.800 -0.014 0.000 0.934 259 D HN 0.093 nan 8.370 nan 0.000 0.511 260 E N -0.389 119.806 120.200 -0.008 0.000 2.263 260 E HA 0.656 4.977 4.350 -0.049 0.000 0.264 260 E C -0.287 176.381 176.600 0.112 0.000 0.923 260 E CA -1.218 55.180 56.400 -0.004 0.000 0.802 260 E CB 2.131 31.779 29.700 -0.087 0.000 1.228 260 E HN 0.177 nan 8.360 nan 0.000 0.417 261 G N 1.518 110.389 108.800 0.118 0.000 2.931 261 G HA2 -0.085 3.845 3.960 -0.049 0.000 0.675 261 G HA3 -0.085 3.845 3.960 -0.049 0.000 0.675 261 G C -0.576 174.464 174.900 0.234 0.000 1.339 261 G CA -0.701 44.589 45.100 0.317 0.000 0.866 261 G HN 0.509 nan 8.290 nan 0.000 0.616 262 D N 0.306 120.805 120.400 0.165 0.000 2.320 262 D HA 0.246 4.856 4.640 -0.049 0.000 0.228 262 D C 0.718 176.787 176.300 -0.385 0.000 0.978 262 D CA 1.309 55.218 54.000 -0.151 0.000 0.905 262 D CB 0.309 41.078 40.800 -0.051 0.000 1.051 262 D HN 0.350 nan 8.370 nan 0.000 0.471 263 F N -1.283 118.769 119.950 0.169 0.000 2.643 263 F HA 0.328 4.818 4.527 -0.063 0.000 0.314 263 F C -0.873 174.483 175.800 -0.740 0.000 1.096 263 F CA -1.379 56.458 58.000 -0.272 0.000 0.953 263 F CB 1.691 40.372 39.000 -0.531 0.000 1.345 263 F HN -0.286 nan 8.300 nan 0.000 0.468 264 Y N 1.974 121.641 120.300 -1.055 0.000 2.385 264 Y HA 0.459 4.984 4.550 -0.042 0.000 0.341 264 Y C -1.223 174.465 175.900 -0.353 0.000 0.965 264 Y CA -1.069 56.497 58.100 -0.889 0.000 1.180 264 Y CB 0.155 37.787 38.460 -1.381 0.000 1.139 264 Y HN 0.370 nan 8.280 nan 0.000 0.502 265 Y N 4.986 125.074 120.300 -0.354 0.000 2.320 265 Y HA 0.319 4.846 4.550 -0.037 0.000 0.324 265 Y C 0.387 176.188 175.900 -0.164 0.000 1.190 265 Y CA -1.003 57.020 58.100 -0.128 0.000 1.215 265 Y CB 0.837 39.267 38.460 -0.051 0.000 1.221 265 Y HN 0.401 nan 8.280 nan 0.000 0.486 266 M N 2.135 121.874 119.600 0.231 0.000 2.146 266 M HA 0.169 4.619 4.480 -0.049 0.000 0.357 266 M C 1.228 177.661 176.300 0.222 0.000 1.261 266 M CA -0.216 55.214 55.300 0.217 0.000 1.106 266 M CB 0.994 33.695 32.600 0.169 0.000 1.612 266 M HN 1.009 nan 8.290 nan 0.000 0.470 267 G N 3.027 111.945 108.800 0.198 0.000 2.498 267 G HA2 -0.065 3.865 3.960 -0.049 0.000 0.219 267 G HA3 -0.065 3.865 3.960 -0.049 0.000 0.219 267 G C 1.013 176.103 174.900 0.316 0.000 1.119 267 G CA 0.869 46.106 45.100 0.228 0.000 0.766 267 G HN 0.808 nan 8.290 nan 0.000 0.552 268 A N -0.761 122.217 122.820 0.264 0.000 2.238 268 A HA 0.540 4.830 4.320 -0.049 0.000 0.208 268 A C 0.330 178.133 177.584 0.365 0.000 1.177 268 A CA -0.059 52.120 52.037 0.236 0.000 0.804 268 A CB -0.126 18.947 19.000 0.122 0.000 0.823 268 A HN 0.434 nan 8.150 nan 0.000 0.482 269 F N 0.437 120.542 119.950 0.259 0.000 3.395 269 F HA 0.446 4.943 4.527 -0.049 0.000 0.382 269 F C -1.352 174.615 175.800 0.278 0.000 1.264 269 F CA -1.518 56.634 58.000 0.253 0.000 1.277 269 F CB 0.752 39.965 39.000 0.355 0.000 1.780 269 F HN 0.183 nan 8.300 nan 0.000 0.691 270 F N 3.022 123.174 119.950 0.336 0.000 2.692 270 F HA 1.044 5.541 4.527 -0.051 0.000 0.320 270 F C -0.360 175.091 175.800 -0.582 0.000 1.123 270 F CA -0.627 57.239 58.000 -0.224 0.000 0.961 270 F CB 1.635 40.498 39.000 -0.228 0.000 1.383 270 F HN 0.501 nan 8.300 nan 0.000 0.483 271 G N -0.994 107.124 108.800 -1.137 0.000 2.335 271 G HA2 0.658 4.589 3.960 -0.049 0.000 0.291 271 G HA3 0.658 4.589 3.960 -0.049 0.000 0.291 271 G C -0.816 173.710 174.900 -0.624 0.000 1.261 271 G CA 0.083 44.668 45.100 -0.858 0.000 0.871 271 G HN 2.160 nan 8.290 nan 0.000 0.491 272 G N -1.318 107.444 108.800 -0.063 0.000 2.350 272 G HA2 0.589 4.519 3.960 -0.049 0.000 0.276 272 G HA3 0.589 4.519 3.960 -0.049 0.000 0.276 272 G C 0.139 175.218 174.900 0.299 0.000 1.313 272 G CA 0.758 45.984 45.100 0.209 0.000 0.903 272 G HN 2.206 nan 8.290 nan 0.000 0.490 273 S N -0.644 115.172 115.700 0.194 0.000 2.584 273 S HA 0.383 4.824 4.470 -0.049 0.000 0.270 273 S C 1.643 176.219 174.600 -0.040 0.000 1.346 273 S CA 0.284 58.450 58.200 -0.056 0.000 1.018 273 S CB 1.446 64.588 63.200 -0.097 0.000 0.899 273 S HN 1.435 nan 8.310 nan 0.000 0.542 274 V N 1.851 121.714 119.914 -0.084 0.000 2.287 274 V HA -0.240 3.851 4.120 -0.049 0.000 0.248 274 V C 2.937 179.032 176.094 0.001 0.000 1.053 274 V CA 2.427 64.703 62.300 -0.040 0.000 1.027 274 V CB -1.333 30.490 31.823 -0.000 0.000 0.646 274 V HN 1.024 nan 8.190 nan 0.000 0.447 275 Q N -0.371 119.436 119.800 0.012 0.000 2.061 275 Q HA -0.251 4.059 4.340 -0.049 0.000 0.204 275 Q C 2.280 178.304 176.000 0.041 0.000 0.984 275 Q CA 1.937 57.767 55.803 0.046 0.000 0.846 275 Q CB -0.077 28.685 28.738 0.039 0.000 0.902 275 Q HN 0.611 nan 8.270 nan 0.000 0.421 276 E N -0.348 119.869 120.200 0.029 0.000 2.152 276 E HA -0.102 4.218 4.350 -0.049 0.000 0.192 276 E C 2.129 178.719 176.600 -0.016 0.000 0.983 276 E CA 0.883 57.302 56.400 0.032 0.000 0.818 276 E CB 0.020 29.756 29.700 0.060 0.000 0.758 276 E HN 0.262 nan 8.360 nan 0.000 0.467 277 V N 1.584 121.483 119.914 -0.025 0.000 2.453 277 V HA -0.225 3.865 4.120 -0.049 0.000 0.247 277 V C 2.365 178.407 176.094 -0.087 0.000 1.048 277 V CA 1.512 63.783 62.300 -0.049 0.000 1.049 277 V CB -0.429 31.359 31.823 -0.057 0.000 0.672 277 V HN 0.238 nan 8.190 nan 0.000 0.457 278 Q N -0.389 119.372 119.800 -0.066 0.000 2.167 278 Q HA -0.164 4.146 4.340 -0.049 0.000 0.202 278 Q C 2.479 178.451 176.000 -0.046 0.000 0.970 278 Q CA 1.221 56.962 55.803 -0.103 0.000 0.855 278 Q CB -0.170 28.520 28.738 -0.080 0.000 0.911 278 Q HN 0.594 nan 8.270 nan 0.000 0.438 279 R N 0.535 121.029 120.500 -0.010 0.000 2.073 279 R HA -0.117 4.194 4.340 -0.049 0.000 0.234 279 R C 2.406 178.565 176.300 -0.236 0.000 1.134 279 R CA 1.093 57.180 56.100 -0.022 0.000 0.952 279 R CB -0.408 29.910 30.300 0.030 0.000 0.850 279 R HN 0.243 nan 8.270 nan 0.000 0.433 280 L N 0.950 121.900 121.223 -0.457 0.000 2.017 280 L HA -0.172 4.138 4.340 -0.049 0.000 0.208 280 L C 2.401 178.875 176.870 -0.660 0.000 1.073 280 L CA 2.065 56.266 54.840 -1.066 0.000 0.745 280 L CB -0.501 41.012 42.059 -0.910 0.000 0.894 280 L HN 0.324 nan 8.230 nan 0.000 0.432 281 T N -2.846 111.492 114.554 -0.361 0.000 2.821 281 T HA -0.232 4.089 4.350 -0.049 0.000 0.267 281 T C 2.014 176.614 174.700 -0.167 0.000 1.046 281 T CA 1.181 63.134 62.100 -0.244 0.000 1.139 281 T CB -0.466 68.308 68.868 -0.158 0.000 0.871 281 T HN 0.385 nan 8.240 nan 0.000 0.454 282 R N 1.396 121.825 120.500 -0.117 0.000 2.073 282 R HA 0.052 4.363 4.340 -0.049 0.000 0.234 282 R C 2.708 179.010 176.300 0.004 0.000 1.134 282 R CA 1.390 57.506 56.100 0.027 0.000 0.952 282 R CB -0.742 29.663 30.300 0.176 0.000 0.850 282 R HN 0.477 nan 8.270 nan 0.000 0.433 283 A N 0.238 123.011 122.820 -0.079 0.000 1.930 283 A HA -0.145 4.146 4.320 -0.049 0.000 0.217 283 A C 2.443 179.985 177.584 -0.070 0.000 1.175 283 A CA 1.441 53.456 52.037 -0.037 0.000 0.627 283 A CB -0.775 18.247 19.000 0.037 0.000 0.815 283 A HN 0.582 nan 8.150 nan 0.000 0.443 284 C N -1.740 117.462 119.300 -0.164 0.000 2.440 284 C HA -0.033 4.397 4.460 -0.049 0.000 0.278 284 C C 2.621 177.484 174.990 -0.212 0.000 1.295 284 C CA 1.191 60.102 59.018 -0.179 0.000 1.738 284 C CB -1.417 26.192 27.740 -0.218 0.000 1.987 284 C HN 0.836 nan 8.230 nan 0.000 0.492 285 H N 1.154 120.095 119.070 -0.214 0.000 2.321 285 H HA -0.123 4.403 4.556 -0.050 0.000 0.300 285 H C 2.241 177.477 175.328 -0.153 0.000 1.087 285 H CA 1.925 57.861 56.048 -0.188 0.000 1.319 285 H CB -0.353 29.330 29.762 -0.132 0.000 1.379 285 H HN 0.511 nan 8.280 nan 0.000 0.501 286 Q N -0.309 119.348 119.800 -0.238 0.000 2.084 286 Q HA -0.118 4.192 4.340 -0.049 0.000 0.202 286 Q C 2.547 178.421 176.000 -0.210 0.000 0.978 286 Q CA 1.172 56.828 55.803 -0.246 0.000 0.844 286 Q CB -0.194 28.492 28.738 -0.087 0.000 0.898 286 Q HN 0.612 nan 8.270 nan 0.000 0.426 287 A N 0.971 123.691 122.820 -0.167 0.000 1.902 287 A HA -0.181 4.109 4.320 -0.049 0.000 0.217 287 A C 2.077 179.534 177.584 -0.211 0.000 1.181 287 A CA 1.390 53.358 52.037 -0.116 0.000 0.623 287 A CB -0.491 18.513 19.000 0.008 0.000 0.818 287 A HN 0.284 nan 8.150 nan 0.000 0.443 288 M N -1.149 118.186 119.600 -0.442 0.000 2.159 288 M HA -0.127 4.323 4.480 -0.049 0.000 0.263 288 M C 2.325 178.486 176.300 -0.231 0.000 1.063 288 M CA 1.481 56.544 55.300 -0.395 0.000 1.110 288 M CB -0.417 31.938 32.600 -0.408 0.000 1.374 288 M HN 0.430 nan 8.290 nan 0.000 0.411 289 M N -0.731 118.694 119.600 -0.291 0.000 2.132 289 M HA -0.154 4.297 4.480 -0.049 0.000 0.263 289 M C 2.188 178.410 176.300 -0.130 0.000 1.065 289 M CA 1.194 56.358 55.300 -0.227 0.000 1.122 289 M CB -0.520 31.896 32.600 -0.307 0.000 1.365 289 M HN 0.120 nan 8.290 nan 0.000 0.411 290 V N 0.712 120.559 119.914 -0.112 0.000 2.287 290 V HA -0.292 3.798 4.120 -0.049 0.000 0.248 290 V C 1.775 177.848 176.094 -0.035 0.000 1.053 290 V CA 2.079 64.344 62.300 -0.058 0.000 1.027 290 V CB -0.763 31.038 31.823 -0.036 0.000 0.646 290 V HN 0.379 nan 8.190 nan 0.000 0.447 291 D N -0.656 119.732 120.400 -0.019 0.000 2.104 291 D HA -0.216 4.395 4.640 -0.049 0.000 0.194 291 D C 2.214 178.504 176.300 -0.018 0.000 0.994 291 D CA 1.576 55.581 54.000 0.008 0.000 0.830 291 D CB -0.237 40.605 40.800 0.070 0.000 0.959 291 D HN 0.519 nan 8.370 nan 0.000 0.452 292 Q N -0.068 119.709 119.800 -0.040 0.000 2.050 292 Q HA -0.152 4.158 4.340 -0.049 0.000 0.202 292 Q C 2.049 178.028 176.000 -0.034 0.000 0.980 292 Q CA 1.598 57.376 55.803 -0.041 0.000 0.840 292 Q CB -0.114 28.590 28.738 -0.056 0.000 0.898 292 Q HN 0.237 nan 8.270 nan 0.000 0.424 293 A N 0.861 123.658 122.820 -0.038 0.000 1.978 293 A HA -0.204 4.086 4.320 -0.049 0.000 0.220 293 A C 1.418 178.987 177.584 -0.025 0.000 1.170 293 A CA 1.793 53.812 52.037 -0.030 0.000 0.636 293 A CB -0.647 18.334 19.000 -0.032 0.000 0.810 293 A HN 0.589 nan 8.150 nan 0.000 0.448 294 N N -0.901 117.784 118.700 -0.024 0.000 2.383 294 N HA 0.295 5.005 4.740 -0.049 0.000 0.192 294 N C 0.768 176.264 175.510 -0.024 0.000 1.141 294 N CA 0.319 53.356 53.050 -0.023 0.000 0.851 294 N CB 0.112 38.586 38.487 -0.021 0.000 0.976 294 N HN 0.588 nan 8.380 nan 0.000 0.465 295 G N 1.738 110.524 108.800 -0.024 0.000 2.246 295 G HA2 -0.280 3.650 3.960 -0.049 0.000 0.273 295 G HA3 -0.280 3.650 3.960 -0.049 0.000 0.273 295 G C -0.208 174.676 174.900 -0.026 0.000 1.055 295 G CA 0.169 45.254 45.100 -0.025 0.000 0.851 295 G HN 0.412 nan 8.290 nan 0.000 0.500 296 I N -0.929 119.627 120.570 -0.023 0.000 2.582 296 I HA 0.685 4.826 4.170 -0.049 0.000 0.292 296 I C -0.665 175.443 176.117 -0.014 0.000 1.066 296 I CA -1.151 60.135 61.300 -0.024 0.000 1.053 296 I CB 1.880 39.866 38.000 -0.024 0.000 1.241 296 I HN 0.142 nan 8.210 nan 0.000 0.421 297 E N 6.207 126.392 120.200 -0.025 0.000 2.191 297 E HA 0.638 4.958 4.350 -0.049 0.000 0.263 297 E C -0.784 175.785 176.600 -0.051 0.000 0.881 297 E CA -0.791 55.602 56.400 -0.012 0.000 0.757 297 E CB 1.755 31.442 29.700 -0.022 0.000 1.147 297 E HN 0.747 nan 8.360 nan 0.000 0.414 298 A N 3.499 126.303 122.820 -0.027 0.000 2.520 298 A HA 0.002 4.292 4.320 -0.049 0.000 0.235 298 A C 1.268 178.684 177.584 -0.280 0.000 1.065 298 A CA 0.061 52.024 52.037 -0.124 0.000 0.764 298 A CB 0.874 19.763 19.000 -0.186 0.000 1.002 298 A HN 0.705 nan 8.150 nan 0.000 0.502 299 V N 1.497 121.238 119.914 -0.289 0.000 2.392 299 V HA -0.189 3.902 4.120 -0.049 0.000 0.249 299 V C 1.048 176.556 176.094 -0.977 0.000 1.059 299 V CA 2.016 64.005 62.300 -0.520 0.000 1.051 299 V CB -0.390 31.232 31.823 -0.335 0.000 0.658 299 V HN 0.857 nan 8.190 nan 0.000 0.455 300 W N -0.710 120.395 121.300 -0.325 0.000 2.357 300 W HA 0.453 5.086 4.660 -0.045 0.000 0.386 300 W C 1.013 177.443 176.519 -0.148 0.000 0.889 300 W CA 0.084 57.271 57.345 -0.263 0.000 2.425 300 W CB -0.077 29.437 29.460 0.089 0.000 1.244 300 W HN 0.551 nan 8.180 nan 0.000 0.646 301 H N -0.902 118.274 119.070 0.176 0.000 1.452 301 H HA -0.349 4.178 4.556 -0.049 0.000 0.090 301 H C 1.657 177.117 175.328 0.219 0.000 0.642 301 H CA 1.610 57.742 56.048 0.139 0.000 1.901 301 H CB -1.124 28.692 29.762 0.090 0.000 2.257 301 H HN 0.175 nan 8.280 nan 0.000 0.961 302 D N 0.977 121.560 120.400 0.306 0.000 2.182 302 D HA -0.178 4.433 4.640 -0.049 0.000 0.201 302 D C 1.736 178.131 176.300 0.159 0.000 0.986 302 D CA 1.786 55.896 54.000 0.183 0.000 0.847 302 D CB -0.539 40.298 40.800 0.063 0.000 0.942 302 D HN 0.687 nan 8.370 nan 0.000 0.467 303 E N 0.808 121.132 120.200 0.207 0.000 2.110 303 E HA -0.139 4.182 4.350 -0.049 0.000 0.193 303 E C 1.896 178.553 176.600 0.095 0.000 0.988 303 E CA 0.981 57.467 56.400 0.144 0.000 0.804 303 E CB 0.150 29.990 29.700 0.234 0.000 0.745 303 E HN 0.107 nan 8.360 nan 0.000 0.458 304 S N -0.387 115.400 115.700 0.145 0.000 2.368 304 S HA -0.150 4.290 4.470 -0.049 0.000 0.224 304 S C 1.586 176.130 174.600 -0.093 0.000 1.029 304 S CA 1.346 59.573 58.200 0.045 0.000 0.988 304 S CB -0.353 62.826 63.200 -0.035 0.000 0.838 304 S HN 0.457 nan 8.310 nan 0.000 0.462 305 H N 0.664 119.743 119.070 0.015 0.000 2.357 305 H HA 0.053 4.580 4.556 -0.048 0.000 0.301 305 H C 2.078 177.376 175.328 -0.051 0.000 1.082 305 H CA 1.220 57.257 56.048 -0.019 0.000 1.342 305 H CB -0.289 29.449 29.762 -0.039 0.000 1.389 305 H HN 0.174 nan 8.280 nan 0.000 0.511 306 L N 0.751 121.974 121.223 -0.000 0.000 2.012 306 L HA -0.205 4.106 4.340 -0.049 0.000 0.210 306 L C 1.775 178.612 176.870 -0.054 0.000 1.073 306 L CA 1.693 56.451 54.840 -0.137 0.000 0.748 306 L CB -0.550 41.350 42.059 -0.265 0.000 0.891 306 L HN 0.274 nan 8.230 nan 0.000 0.431 307 N N -0.137 118.546 118.700 -0.030 0.000 2.104 307 N HA -0.242 4.468 4.740 -0.049 0.000 0.190 307 N C 1.878 177.354 175.510 -0.057 0.000 1.024 307 N CA 1.527 54.586 53.050 0.014 0.000 0.853 307 N CB -0.133 38.355 38.487 0.001 0.000 1.008 307 N HN 0.290 nan 8.380 nan 0.000 0.424 308 K N 0.819 121.166 120.400 -0.088 0.000 2.057 308 K HA -0.151 4.139 4.320 -0.049 0.000 0.207 308 K C 2.013 178.608 176.600 -0.008 0.000 1.049 308 K CA 1.093 57.319 56.287 -0.102 0.000 0.931 308 K CB -0.788 31.672 32.500 -0.068 0.000 0.714 308 K HN 0.191 nan 8.250 nan 0.000 0.440 309 Y N 0.574 120.843 120.300 -0.051 0.000 2.181 309 Y HA -0.091 4.429 4.550 -0.051 0.000 0.288 309 Y C 1.571 177.488 175.900 0.027 0.000 1.146 309 Y CA 1.814 59.919 58.100 0.009 0.000 1.164 309 Y CB -0.004 38.390 38.460 -0.110 0.000 0.982 309 Y HN 0.018 nan 8.280 nan 0.000 0.515 310 L N -0.500 120.750 121.223 0.044 0.000 2.395 310 L HA -0.119 4.191 4.340 -0.049 0.000 0.218 310 L C 2.138 178.965 176.870 -0.073 0.000 1.130 310 L CA 0.331 55.121 54.840 -0.082 0.000 0.826 310 L CB -0.392 41.461 42.059 -0.344 0.000 0.941 310 L HN 0.323 nan 8.230 nan 0.000 0.451 311 L N -0.217 120.969 121.223 -0.063 0.000 2.072 311 L HA -0.101 4.209 4.340 -0.049 0.000 0.205 311 L C 2.542 179.257 176.870 -0.258 0.000 1.079 311 L CA 1.691 56.454 54.840 -0.129 0.000 0.752 311 L CB -0.369 41.591 42.059 -0.165 0.000 0.906 311 L HN 0.086 nan 8.230 nan 0.000 0.436 312 R N -1.027 119.291 120.500 -0.303 0.000 2.254 312 R HA 0.156 4.466 4.340 -0.049 0.000 0.195 312 R C -0.131 175.698 176.300 -0.784 0.000 0.957 312 R CA 0.280 56.088 56.100 -0.486 0.000 1.024 312 R CB -0.508 29.501 30.300 -0.485 0.000 0.952 312 R HN 0.500 nan 8.270 nan 0.000 0.484 313 H N 0.587 119.366 119.070 -0.485 0.000 2.791 313 H HA 0.258 4.784 4.556 -0.050 0.000 0.272 313 H C -0.509 174.602 175.328 -0.362 0.000 1.188 313 H CA -0.685 55.087 56.048 -0.460 0.000 1.436 313 H CB 0.898 30.239 29.762 -0.701 0.000 1.467 313 H HN -0.374 nan 8.280 nan 0.000 0.500 314 K N 3.953 124.143 120.400 -0.350 0.000 2.412 314 K HA 0.121 4.412 4.320 -0.049 0.000 0.281 314 K C -2.329 174.195 176.600 -0.127 0.000 1.027 314 K CA -1.657 54.318 56.287 -0.521 0.000 0.989 314 K CB 0.385 32.110 32.500 -1.291 0.000 0.935 314 K HN 0.452 nan 8.250 nan 0.000 0.475 315 P HA 0.041 nan 4.420 nan 0.000 0.272 315 P C 0.491 178.034 177.300 0.405 0.000 1.223 315 P CA -0.120 63.110 63.100 0.217 0.000 0.784 315 P CB 0.476 32.284 31.700 0.181 0.000 0.923 316 T N -1.534 113.195 114.554 0.292 0.000 3.081 316 T HA 0.157 4.478 4.350 -0.049 0.000 0.255 316 T C 0.572 175.402 174.700 0.215 0.000 1.113 316 T CA 0.556 62.822 62.100 0.277 0.000 1.082 316 T CB 0.031 69.025 68.868 0.209 0.000 0.939 316 T HN 0.351 nan 8.240 nan 0.000 0.506 317 K N 0.191 120.710 120.400 0.199 0.000 2.512 317 K HA 0.694 4.985 4.320 -0.049 0.000 0.263 317 K C -1.866 174.801 176.600 0.112 0.000 0.966 317 K CA -0.914 55.426 56.287 0.087 0.000 0.851 317 K CB 3.192 35.661 32.500 -0.052 0.000 1.395 317 K HN -0.118 nan 8.250 nan 0.000 0.440 318 V N 2.860 122.774 119.914 0.001 0.000 2.588 318 V HA 0.398 4.489 4.120 -0.049 0.000 0.304 318 V C -0.551 175.393 176.094 -0.250 0.000 1.042 318 V CA -0.948 61.337 62.300 -0.024 0.000 0.877 318 V CB 1.580 33.384 31.823 -0.031 0.000 0.996 318 V HN 0.548 nan 8.190 nan 0.000 0.425 319 L N 3.857 124.889 121.223 -0.319 0.000 2.326 319 L HA 0.493 4.803 4.340 -0.049 0.000 0.278 319 L C 0.946 177.556 176.870 -0.433 0.000 1.092 319 L CA -0.138 54.372 54.840 -0.551 0.000 0.810 319 L CB 1.664 43.223 42.059 -0.834 0.000 1.153 319 L HN 0.845 nan 8.230 nan 0.000 0.439 320 S N 2.287 117.648 115.700 -0.563 0.000 2.608 320 S HA 0.224 4.665 4.470 -0.049 0.000 0.261 320 S C -1.937 172.435 174.600 -0.380 0.000 1.314 320 S CA -1.035 56.645 58.200 -0.866 0.000 0.992 320 S CB 0.657 62.751 63.200 -1.844 0.000 0.935 320 S HN 0.452 nan 8.310 nan 0.000 0.564 321 P HA 0.020 nan 4.420 nan 0.000 0.231 321 P C 0.724 178.007 177.300 -0.029 0.000 1.158 321 P CA 0.712 63.782 63.100 -0.050 0.000 0.763 321 P CB -0.145 31.569 31.700 0.024 0.000 0.805 322 E N -1.300 118.778 120.200 -0.202 0.000 2.171 322 E HA -0.216 4.104 4.350 -0.049 0.000 0.197 322 E C 0.943 177.425 176.600 -0.198 0.000 0.997 322 E CA 1.216 57.458 56.400 -0.263 0.000 0.810 322 E CB -0.558 28.945 29.700 -0.329 0.000 0.738 322 E HN 0.455 nan 8.360 nan 0.000 0.467 323 Y N -0.586 119.716 120.300 0.004 0.000 2.511 323 Y HA 0.238 4.756 4.550 -0.053 0.000 0.279 323 Y C 0.481 176.621 175.900 0.400 0.000 1.157 323 Y CA 0.222 58.430 58.100 0.180 0.000 1.300 323 Y CB 0.652 39.082 38.460 -0.050 0.000 1.052 323 Y HN -0.077 nan 8.280 nan 0.000 0.529 324 L N 0.368 121.805 121.223 0.356 0.000 2.666 324 L HA 0.237 4.547 4.340 -0.049 0.000 0.258 324 L C -1.551 175.439 176.870 0.201 0.000 0.991 324 L CA -0.195 54.803 54.840 0.263 0.000 0.916 324 L CB 0.928 43.151 42.059 0.274 0.000 1.199 324 L HN 0.127 nan 8.230 nan 0.000 0.439 325 W N 3.898 125.120 121.300 -0.130 0.000 2.799 325 W HA 0.456 5.076 4.660 -0.067 0.000 0.349 325 W C -1.367 175.053 176.519 -0.165 0.000 1.100 325 W CA -0.475 56.784 57.345 -0.144 0.000 1.174 325 W CB 2.257 31.605 29.460 -0.187 0.000 1.427 325 W HN 0.342 nan 8.180 nan 0.000 0.547 326 D N 3.126 123.004 120.400 -0.870 0.000 2.420 326 D HA 0.078 4.688 4.640 -0.049 0.000 0.255 326 D C 0.577 176.572 176.300 -0.509 0.000 1.185 326 D CA -0.092 53.586 54.000 -0.536 0.000 0.904 326 D CB 1.638 42.167 40.800 -0.452 0.000 1.102 326 D HN 0.513 nan 8.370 nan 0.000 0.534 327 Q N 2.450 122.177 119.800 -0.122 0.000 2.172 327 Q HA -0.153 4.157 4.340 -0.049 0.000 0.200 327 Q C 1.593 177.614 176.000 0.035 0.000 0.964 327 Q CA 1.066 56.926 55.803 0.094 0.000 0.855 327 Q CB 0.348 29.169 28.738 0.138 0.000 0.918 327 Q HN 0.607 nan 8.270 nan 0.000 0.444 328 Q N 0.029 119.813 119.800 -0.027 0.000 2.050 328 Q HA -0.199 4.111 4.340 -0.049 0.000 0.202 328 Q C 2.038 178.019 176.000 -0.031 0.000 0.980 328 Q CA 1.347 57.142 55.803 -0.013 0.000 0.840 328 Q CB -0.023 28.700 28.738 -0.025 0.000 0.898 328 Q HN 0.415 nan 8.270 nan 0.000 0.424 329 L N -0.222 120.943 121.223 -0.096 0.000 2.131 329 L HA 0.014 4.324 4.340 -0.049 0.000 0.206 329 L C 1.508 178.317 176.870 -0.103 0.000 1.087 329 L CA 1.446 56.219 54.840 -0.111 0.000 0.767 329 L CB 0.203 42.161 42.059 -0.168 0.000 0.917 329 L HN 0.262 nan 8.230 nan 0.000 0.441 330 L N -1.689 119.453 121.223 -0.135 0.000 2.966 330 L HA 0.473 4.783 4.340 -0.049 0.000 0.262 330 L C 1.155 178.188 176.870 0.271 0.000 1.165 330 L CA 0.115 54.924 54.840 -0.051 0.000 0.978 330 L CB 0.083 41.873 42.059 -0.449 0.000 1.337 330 L HN 0.346 nan 8.230 nan 0.000 0.563 331 G N 0.722 109.690 108.800 0.280 0.000 2.528 331 G HA2 -0.334 3.596 3.960 -0.049 0.000 0.262 331 G HA3 -0.334 3.596 3.960 -0.049 0.000 0.262 331 G C -1.074 174.182 174.900 0.595 0.000 1.200 331 G CA 0.165 45.490 45.100 0.374 0.000 0.951 331 G HN 0.173 nan 8.290 nan 0.000 0.566 332 W N 3.175 124.618 121.300 0.238 0.000 2.258 332 W HA 0.533 5.160 4.660 -0.056 0.000 0.287 332 W C -2.049 174.483 176.519 0.022 0.000 1.024 332 W CA -1.842 55.551 57.345 0.079 0.000 1.377 332 W CB -0.182 29.295 29.460 0.027 0.000 1.351 332 W HN 0.699 nan 8.180 nan 0.000 0.334 333 P HA 0.264 nan 4.420 nan 0.000 0.272 333 P C 0.708 178.101 177.300 0.154 0.000 1.230 333 P CA 0.087 63.322 63.100 0.226 0.000 0.788 333 P CB 1.025 32.879 31.700 0.256 0.000 0.949 334 A N 1.577 124.442 122.820 0.074 0.000 2.019 334 A HA -0.118 4.173 4.320 -0.049 0.000 0.219 334 A C 2.050 179.643 177.584 0.015 0.000 1.164 334 A CA 1.470 53.512 52.037 0.009 0.000 0.644 334 A CB -1.254 17.737 19.000 -0.014 0.000 0.805 334 A HN 0.417 nan 8.150 nan 0.000 0.449 335 V N -0.190 119.745 119.914 0.033 0.000 2.913 335 V HA 0.034 4.125 4.120 -0.049 0.000 0.260 335 V C 0.600 176.712 176.094 0.029 0.000 1.098 335 V CA 0.913 63.206 62.300 -0.011 0.000 1.121 335 V CB -0.417 31.414 31.823 0.014 0.000 0.714 335 V HN 0.451 nan 8.190 nan 0.000 0.487 336 L N 0.827 122.075 121.223 0.043 0.000 2.264 336 L HA 0.425 4.735 4.340 -0.049 0.000 0.287 336 L C 1.334 178.329 176.870 0.209 0.000 1.039 336 L CA -0.192 54.669 54.840 0.034 0.000 0.829 336 L CB 0.995 42.868 42.059 -0.309 0.000 1.211 336 L HN 0.099 nan 8.230 nan 0.000 0.427 337 R N 1.510 122.100 120.500 0.150 0.000 2.193 337 R HA 0.099 4.409 4.340 -0.049 0.000 0.213 337 R C -0.015 176.418 176.300 0.222 0.000 1.055 337 R CA 0.750 56.944 56.100 0.158 0.000 0.995 337 R CB 0.231 30.572 30.300 0.068 0.000 0.893 337 R HN 0.509 nan 8.270 nan 0.000 0.459 338 K N 0.677 121.142 120.400 0.108 0.000 2.469 338 K HA 0.414 4.704 4.320 -0.049 0.000 0.254 338 K C -1.154 175.294 176.600 -0.252 0.000 0.939 338 K CA -0.607 55.684 56.287 0.007 0.000 0.812 338 K CB 2.562 35.046 32.500 -0.027 0.000 1.301 338 K HN -0.120 nan 8.250 nan 0.000 0.433 339 L N 3.517 124.487 121.223 -0.421 0.000 2.294 339 L HA 0.448 4.758 4.340 -0.049 0.000 0.283 339 L C 0.929 177.627 176.870 -0.288 0.000 1.015 339 L CA -0.470 54.069 54.840 -0.502 0.000 0.831 339 L CB 1.185 42.784 42.059 -0.766 0.000 1.217 339 L HN 0.553 nan 8.230 nan 0.000 0.420 340 R N 2.589 122.960 120.500 -0.216 0.000 2.123 340 R HA 0.220 4.530 4.340 -0.049 0.000 0.209 340 R C -0.171 176.157 176.300 0.048 0.000 1.078 340 R CA 0.665 56.688 56.100 -0.128 0.000 1.028 340 R CB 0.604 30.747 30.300 -0.263 0.000 0.939 340 R HN 0.376 nan 8.270 nan 0.000 0.463 341 F N 1.871 121.725 119.950 -0.161 0.000 2.730 341 F HA 0.270 4.767 4.527 -0.050 0.000 0.335 341 F C -1.081 174.626 175.800 -0.154 0.000 1.212 341 F CA -0.743 57.102 58.000 -0.258 0.000 1.016 341 F CB 1.817 40.675 39.000 -0.236 0.000 1.290 341 F HN -0.123 nan 8.300 nan 0.000 0.495 342 T N 2.515 116.831 114.554 -0.398 0.000 2.906 342 T HA 0.800 5.120 4.350 -0.049 0.000 0.295 342 T C -0.301 174.168 174.700 -0.385 0.000 1.061 342 T CA -0.859 61.063 62.100 -0.297 0.000 1.000 342 T CB 1.722 70.507 68.868 -0.138 0.000 1.103 342 T HN 0.808 nan 8.240 nan 0.000 0.486 343 A N 1.868 124.501 122.820 -0.312 0.000 2.511 343 A HA 0.551 4.841 4.320 -0.049 0.000 0.242 343 A C 0.269 177.732 177.584 -0.202 0.000 1.069 343 A CA -0.504 51.360 52.037 -0.289 0.000 0.763 343 A CB -0.156 18.697 19.000 -0.245 0.000 1.001 343 A HN 0.899 nan 8.150 nan 0.000 0.498 344 V N 5.577 125.373 119.914 -0.196 0.000 2.383 344 V HA 0.249 4.340 4.120 -0.049 0.000 0.275 344 V C -1.994 174.061 176.094 -0.066 0.000 1.036 344 V CA -1.310 60.942 62.300 -0.080 0.000 0.889 344 V CB 0.972 32.809 31.823 0.024 0.000 0.985 344 V HN 0.815 nan 8.190 nan 0.000 0.459 345 P HA 0.148 nan 4.420 nan 0.000 0.264 345 P C -0.650 176.654 177.300 0.006 0.000 1.183 345 P CA 0.179 63.265 63.100 -0.023 0.000 0.763 345 P CB 0.230 31.926 31.700 -0.006 0.000 0.807 346 K N 0.800 121.177 120.400 -0.038 0.000 2.536 346 K HA 0.462 4.752 4.320 -0.049 0.000 0.269 346 K C -1.095 175.462 176.600 -0.072 0.000 0.965 346 K CA -1.082 55.179 56.287 -0.043 0.000 0.860 346 K CB 1.225 33.685 32.500 -0.067 0.000 1.423 346 K HN 0.010 nan 8.250 nan 0.000 0.438 347 N N 1.265 119.930 118.700 -0.059 0.000 2.469 347 N HA 0.128 4.838 4.740 -0.049 0.000 0.239 347 N C 0.066 175.553 175.510 -0.038 0.000 1.053 347 N CA 0.156 53.196 53.050 -0.017 0.000 0.937 347 N CB 0.119 38.600 38.487 -0.010 0.000 1.163 347 N HN 0.689 nan 8.380 nan 0.000 0.509 348 H N 1.584 120.623 119.070 -0.052 0.000 2.321 348 H HA -0.179 4.348 4.556 -0.049 0.000 0.295 348 H C 1.430 176.707 175.328 -0.084 0.000 1.102 348 H CA 2.299 58.291 56.048 -0.094 0.000 1.266 348 H CB 0.340 30.023 29.762 -0.132 0.000 1.363 348 H HN 0.563 nan 8.280 nan 0.000 0.492 349 Q N -0.044 119.802 119.800 0.078 0.000 2.079 349 Q HA -0.039 4.271 4.340 -0.049 0.000 0.200 349 Q C 2.338 178.364 176.000 0.044 0.000 0.974 349 Q CA 1.460 57.295 55.803 0.054 0.000 0.840 349 Q CB -0.205 28.566 28.738 0.054 0.000 0.898 349 Q HN 0.496 nan 8.270 nan 0.000 0.430 350 A N -0.761 122.074 122.820 0.025 0.000 1.872 350 A HA -0.072 4.219 4.320 -0.049 0.000 0.214 350 A C 2.182 179.774 177.584 0.012 0.000 1.187 350 A CA 1.347 53.392 52.037 0.014 0.000 0.614 350 A CB -0.959 18.037 19.000 -0.006 0.000 0.826 350 A HN 0.295 nan 8.150 nan 0.000 0.442 351 V N -0.063 119.841 119.914 -0.015 0.000 2.809 351 V HA -0.038 4.053 4.120 -0.049 0.000 0.256 351 V C 1.359 177.534 176.094 0.136 0.000 1.080 351 V CA 1.086 63.369 62.300 -0.028 0.000 1.102 351 V CB -0.680 31.035 31.823 -0.181 0.000 0.705 351 V HN 0.494 nan 8.190 nan 0.000 0.475 352 R N 0.000 120.588 120.500 0.146 0.000 2.786 352 R HA 0.000 4.310 4.340 -0.049 0.000 0.208 352 R CA 0.000 56.232 56.100 0.220 0.000 0.921 352 R CB 0.000 30.353 30.300 0.088 0.000 0.687 352 R HN 0.000 nan 8.270 nan 0.000 0.535