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 2nse_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 67 G C 0.000 174.803 174.900 -0.162 0.000 0.946 67 G CA 0.000 45.058 45.100 -0.070 0.000 0.502 68 P HA 0.323 nan 4.420 nan 0.000 0.264 68 P C -0.514 176.618 177.300 -0.279 0.000 1.193 68 P CA 0.188 63.043 63.100 -0.408 0.000 0.763 68 P CB 0.552 31.831 31.700 -0.701 0.000 0.810 69 K N 3.180 123.288 120.400 -0.487 0.000 3.000 69 K HA 0.223 4.547 4.320 0.007 0.000 0.265 69 K C -0.629 175.562 176.600 -0.681 0.000 1.260 69 K CA 0.127 56.129 56.287 -0.475 0.000 1.209 69 K CB -0.556 31.678 32.500 -0.443 0.000 1.484 69 K HN 0.345 nan 8.250 nan 0.000 0.283 70 F N -0.364 119.653 119.950 0.111 0.000 2.631 70 F HA 0.291 4.822 4.527 0.007 0.000 0.308 70 F C -2.382 173.527 175.800 0.181 0.000 1.097 70 F CA -3.279 54.793 58.000 0.120 0.000 0.952 70 F CB 0.931 40.007 39.000 0.126 0.000 1.307 70 F HN -0.060 nan 8.300 nan 0.000 0.450 71 P HA 0.017 nan 4.420 nan 0.000 0.258 71 P C -0.507 176.802 177.300 0.016 0.000 1.187 71 P CA 0.166 63.343 63.100 0.129 0.000 0.767 71 P CB 0.275 32.033 31.700 0.097 0.000 0.770 72 R N 3.531 123.947 120.500 -0.140 0.000 2.298 72 R HA 0.344 4.688 4.340 0.007 0.000 0.310 72 R C -1.033 175.102 176.300 -0.274 0.000 1.068 72 R CA -0.385 55.400 56.100 -0.526 0.000 0.957 72 R CB 0.423 30.389 30.300 -0.556 0.000 1.003 72 R HN 0.191 nan 8.270 nan 0.000 0.454 73 V N 5.089 124.836 119.914 -0.278 0.000 2.459 73 V HA 0.385 4.509 4.120 0.007 0.000 0.295 73 V C -0.236 175.770 176.094 -0.146 0.000 1.029 73 V CA -0.708 61.519 62.300 -0.122 0.000 0.874 73 V CB 1.550 33.346 31.823 -0.045 0.000 0.985 73 V HN 0.759 nan 8.190 nan 0.000 0.438 74 K N 3.511 123.847 120.400 -0.108 0.000 2.328 74 K HA 0.456 4.780 4.320 0.007 0.000 0.246 74 K C -0.810 175.717 176.600 -0.121 0.000 0.955 74 K CA -0.757 55.398 56.287 -0.220 0.000 0.817 74 K CB 1.775 33.991 32.500 -0.473 0.000 1.208 74 K HN 0.736 nan 8.250 nan 0.000 0.432 75 N N 3.686 122.297 118.700 -0.149 0.000 2.518 75 N HA 0.113 4.857 4.740 0.007 0.000 0.254 75 N C -0.293 175.204 175.510 -0.022 0.000 0.979 75 N CA -0.374 52.697 53.050 0.035 0.000 0.930 75 N CB 0.516 39.038 38.487 0.059 0.000 1.152 75 N HN 0.659 nan 8.380 nan 0.000 0.505 76 W N 2.066 123.428 121.300 0.104 0.000 2.611 76 W HA 0.034 4.698 4.660 0.007 0.000 0.251 76 W C 2.100 178.661 176.519 0.070 0.000 1.265 76 W CA 0.115 57.515 57.345 0.091 0.000 1.295 76 W CB 0.229 29.756 29.460 0.113 0.000 1.129 76 W HN 0.659 nan 8.180 nan 0.000 0.630 77 E N 0.253 120.592 120.200 0.231 0.000 2.122 77 E HA -0.091 4.263 4.350 0.007 0.000 0.190 77 E C 1.720 178.343 176.600 0.038 0.000 0.977 77 E CA 0.899 57.335 56.400 0.060 0.000 0.820 77 E CB -0.156 29.519 29.700 -0.042 0.000 0.770 77 E HN 0.273 nan 8.360 nan 0.000 0.462 78 L N -0.977 120.269 121.223 0.038 0.000 2.590 78 L HA 0.324 4.668 4.340 0.007 0.000 0.227 78 L C 1.514 178.368 176.870 -0.026 0.000 1.099 78 L CA 0.423 55.268 54.840 0.007 0.000 0.872 78 L CB 0.698 42.765 42.059 0.014 0.000 1.088 78 L HN 0.413 nan 8.230 nan 0.000 0.479 79 G N 0.423 109.183 108.800 -0.065 0.000 2.184 79 G HA2 -0.318 3.646 3.960 0.007 0.000 0.264 79 G HA3 -0.318 3.646 3.960 0.007 0.000 0.264 79 G C 0.412 175.223 174.900 -0.147 0.000 0.975 79 G CA 0.463 45.480 45.100 -0.138 0.000 0.642 79 G HN 0.452 nan 8.290 nan 0.000 0.536 80 S N -0.317 115.322 115.700 -0.102 0.000 2.565 80 S HA 0.713 5.187 4.470 0.007 0.000 0.276 80 S C -0.066 174.466 174.600 -0.114 0.000 1.326 80 S CA -0.399 57.752 58.200 -0.082 0.000 1.045 80 S CB 2.114 65.290 63.200 -0.040 0.000 0.918 80 S HN 0.489 nan 8.310 nan 0.000 0.505 81 I N 2.004 122.517 120.570 -0.095 0.000 2.603 81 I HA 0.642 4.816 4.170 0.007 0.000 0.300 81 I C 0.416 176.492 176.117 -0.067 0.000 1.017 81 I CA 0.044 61.271 61.300 -0.123 0.000 1.098 81 I CB 2.434 40.356 38.000 -0.130 0.000 1.279 81 I HN 1.046 nan 8.210 nan 0.000 0.437 82 T N 1.170 115.652 114.554 -0.120 0.000 2.883 82 T HA 0.684 5.038 4.350 0.007 0.000 0.301 82 T C -1.290 173.324 174.700 -0.144 0.000 1.158 82 T CA -0.740 61.345 62.100 -0.026 0.000 1.007 82 T CB 1.155 70.016 68.868 -0.011 0.000 1.186 82 T HN 0.212 nan 8.240 nan 0.000 0.499 83 Y N 0.198 120.509 120.300 0.019 0.000 2.468 83 Y HA 0.560 5.114 4.550 0.007 0.000 0.342 83 Y C 0.056 175.956 175.900 0.001 0.000 1.021 83 Y CA -0.925 57.205 58.100 0.051 0.000 1.079 83 Y CB 1.813 40.342 38.460 0.115 0.000 1.226 83 Y HN 0.724 nan 8.280 nan 0.000 0.460 84 D N 1.339 121.811 120.400 0.121 0.000 2.443 84 D HA 0.100 4.744 4.640 0.007 0.000 0.221 84 D C 0.691 176.872 176.300 -0.198 0.000 1.097 84 D CA 0.063 54.060 54.000 -0.006 0.000 0.865 84 D CB 1.248 42.073 40.800 0.041 0.000 1.034 84 D HN 0.819 nan 8.370 nan 0.000 0.511 85 T N 1.133 115.458 114.554 -0.381 0.000 3.035 85 T HA -0.105 4.249 4.350 0.007 0.000 0.259 85 T C 1.968 176.375 174.700 -0.488 0.000 1.078 85 T CA -0.009 61.614 62.100 -0.795 0.000 1.132 85 T CB -0.021 68.415 68.868 -0.720 0.000 0.900 85 T HN 0.258 nan 8.240 nan 0.000 0.480 86 L N 2.585 123.631 121.223 -0.294 0.000 2.081 86 L HA -0.057 4.287 4.340 0.007 0.000 0.212 86 L C 2.731 179.401 176.870 -0.333 0.000 1.080 86 L CA 1.643 56.364 54.840 -0.198 0.000 0.754 86 L CB -1.245 40.798 42.059 -0.027 0.000 0.893 86 L HN 0.712 nan 8.230 nan 0.000 0.433 87 C N -1.492 117.397 119.300 -0.684 0.000 2.409 87 C HA 0.006 4.470 4.460 0.007 0.000 0.288 87 C C 2.777 177.480 174.990 -0.477 0.000 1.395 87 C CA 0.189 58.517 59.018 -1.149 0.000 1.792 87 C CB -2.352 24.667 27.740 -1.202 0.000 1.847 87 C HN 0.597 nan 8.230 nan 0.000 0.534 88 A N -0.061 122.583 122.820 -0.293 0.000 2.067 88 A HA -0.084 4.240 4.320 0.007 0.000 0.219 88 A C 2.272 179.802 177.584 -0.089 0.000 1.158 88 A CA 1.406 53.367 52.037 -0.127 0.000 0.661 88 A CB -0.432 18.515 19.000 -0.089 0.000 0.801 88 A HN 0.649 nan 8.150 nan 0.000 0.452 89 Q N 0.172 119.908 119.800 -0.107 0.000 2.432 89 Q HA 0.065 4.409 4.340 0.007 0.000 0.205 89 Q C 1.106 177.104 176.000 -0.004 0.000 0.945 89 Q CA 0.473 56.252 55.803 -0.039 0.000 0.924 89 Q CB -0.508 28.214 28.738 -0.026 0.000 1.016 89 Q HN 0.562 nan 8.270 nan 0.000 0.503 90 S N 0.392 116.081 115.700 -0.018 0.000 2.559 90 S HA -0.057 4.417 4.470 0.007 0.000 0.282 90 S C 0.964 175.586 174.600 0.036 0.000 1.336 90 S CA 0.400 58.626 58.200 0.044 0.000 1.037 90 S CB 0.597 63.830 63.200 0.055 0.000 0.853 90 S HN 0.186 nan 8.310 nan 0.000 0.523 91 Q N 0.869 120.698 119.800 0.049 0.000 2.254 91 Q HA 0.213 4.557 4.340 0.007 0.000 0.259 91 Q C 0.024 176.047 176.000 0.038 0.000 0.815 91 Q CA 0.080 55.907 55.803 0.041 0.000 0.961 91 Q CB 0.466 29.231 28.738 0.045 0.000 1.140 91 Q HN 0.822 nan 8.270 nan 0.000 0.502 92 Q N 1.308 121.134 119.800 0.043 0.000 2.282 92 Q HA 0.206 4.550 4.340 0.007 0.000 0.260 92 Q C -1.008 175.018 176.000 0.042 0.000 0.964 92 Q CA -0.477 55.348 55.803 0.037 0.000 0.880 92 Q CB 1.331 30.087 28.738 0.029 0.000 1.286 92 Q HN -0.054 nan 8.270 nan 0.000 0.445 93 D N 1.734 122.156 120.400 0.036 0.000 2.382 93 D HA 0.207 4.851 4.640 0.007 0.000 0.240 93 D C 0.068 176.392 176.300 0.042 0.000 1.146 93 D CA 0.409 54.433 54.000 0.039 0.000 0.897 93 D CB 1.120 41.939 40.800 0.032 0.000 1.197 93 D HN 0.701 nan 8.370 nan 0.000 0.432 94 G N 0.181 109.010 108.800 0.047 0.000 2.671 94 G HA2 0.359 4.323 3.960 0.007 0.000 0.275 94 G HA3 0.359 4.323 3.960 0.007 0.000 0.275 94 G C -1.787 173.139 174.900 0.043 0.000 1.368 94 G CA -0.625 44.504 45.100 0.048 0.000 1.044 94 G HN 0.280 nan 8.290 nan 0.000 0.543 95 P HA 0.126 nan 4.420 nan 0.000 0.226 95 P C 0.491 177.816 177.300 0.042 0.000 1.161 95 P CA 0.117 63.243 63.100 0.044 0.000 0.804 95 P CB 0.234 31.964 31.700 0.051 0.000 0.829 96 C N 1.231 120.558 119.300 0.045 0.000 2.604 96 C HA 0.517 4.981 4.460 0.007 0.000 0.396 96 C C 1.111 176.122 174.990 0.035 0.000 1.282 96 C CA 0.212 59.255 59.018 0.040 0.000 2.292 96 C CB 0.341 28.109 27.740 0.045 0.000 2.633 96 C HN 0.361 nan 8.230 nan 0.000 0.620 97 T N -0.962 113.610 114.554 0.030 0.000 2.883 97 T HA 0.416 4.770 4.350 0.007 0.000 0.296 97 T C -2.388 172.325 174.700 0.022 0.000 1.117 97 T CA -1.126 60.989 62.100 0.025 0.000 1.006 97 T CB 1.315 70.196 68.868 0.022 0.000 1.191 97 T HN 0.257 nan 8.240 nan 0.000 0.508 98 P HA -0.044 nan 4.420 nan 0.000 0.218 98 P C 1.241 178.550 177.300 0.014 0.000 1.148 98 P CA 0.825 63.935 63.100 0.017 0.000 0.822 98 P CB -0.017 31.691 31.700 0.014 0.000 0.784 99 R N 0.204 120.712 120.500 0.013 0.000 2.313 99 R HA 0.116 4.460 4.340 0.007 0.000 0.199 99 R C 0.234 176.541 176.300 0.012 0.000 0.958 99 R CA 0.141 56.248 56.100 0.011 0.000 1.047 99 R CB -0.511 29.796 30.300 0.011 0.000 0.955 99 R HN 0.195 nan 8.270 nan 0.000 0.481 100 R N -1.634 118.875 120.500 0.015 0.000 2.979 100 R HA 0.212 4.556 4.340 0.007 0.000 0.245 100 R C -1.856 174.457 176.300 0.021 0.000 1.104 100 R CA -0.734 55.376 56.100 0.016 0.000 1.056 100 R CB -0.084 30.226 30.300 0.017 0.000 1.265 100 R HN 0.113 nan 8.270 nan 0.000 0.470 101 C N 4.566 123.878 119.300 0.021 0.000 2.225 101 C HA 0.465 4.929 4.460 0.007 0.000 0.328 101 C C 0.208 175.219 174.990 0.035 0.000 1.187 101 C CA -0.596 58.439 59.018 0.027 0.000 1.665 101 C CB -0.657 27.095 27.740 0.020 0.000 2.253 101 C HN 0.748 nan 8.230 nan 0.000 0.497 102 L N 5.930 127.179 121.223 0.043 0.000 2.928 102 L HA 0.324 4.668 4.340 0.007 0.000 0.236 102 L C 1.871 178.782 176.870 0.068 0.000 1.290 102 L CA 0.577 55.448 54.840 0.051 0.000 1.099 102 L CB -0.142 41.945 42.059 0.048 0.000 1.437 102 L HN 0.959 nan 8.230 nan 0.000 0.493 103 G N -1.328 107.515 108.800 0.072 0.000 2.920 103 G HA2 -0.087 3.878 3.960 0.007 0.000 0.208 103 G HA3 -0.087 3.878 3.960 0.007 0.000 0.208 103 G C 1.199 176.178 174.900 0.132 0.000 1.159 103 G CA 0.824 45.980 45.100 0.094 0.000 0.784 103 G HN 0.513 nan 8.290 nan 0.000 0.535 104 S N -0.393 115.381 115.700 0.124 0.000 2.539 104 S HA 0.366 4.840 4.470 0.007 0.000 0.221 104 S C 0.638 175.335 174.600 0.162 0.000 0.987 104 S CA -0.571 57.721 58.200 0.153 0.000 0.929 104 S CB 0.034 63.302 63.200 0.112 0.000 0.832 104 S HN 0.090 nan 8.310 nan 0.000 0.492 105 L N 2.114 123.423 121.223 0.142 0.000 2.331 105 L HA 0.322 4.666 4.340 0.007 0.000 0.278 105 L C 1.385 178.373 176.870 0.196 0.000 1.106 105 L CA -0.536 54.387 54.840 0.138 0.000 0.824 105 L CB 1.089 43.206 42.059 0.098 0.000 1.142 105 L HN 0.010 nan 8.230 nan 0.000 0.443 106 V N 4.365 124.410 119.914 0.219 0.000 2.323 106 V HA -0.147 3.977 4.120 0.007 0.000 0.244 106 V C 0.869 177.093 176.094 0.216 0.000 1.041 106 V CA 1.360 63.844 62.300 0.308 0.000 1.025 106 V CB -0.228 31.770 31.823 0.292 0.000 0.656 106 V HN 0.568 nan 8.190 nan 0.000 0.451 107 L N 2.617 123.912 121.223 0.119 0.000 2.433 107 L HA 0.464 4.808 4.340 0.007 0.000 0.256 107 L C -2.561 174.357 176.870 0.079 0.000 1.063 107 L CA -1.240 53.652 54.840 0.086 0.000 0.922 107 L CB 0.988 43.033 42.059 -0.024 0.000 1.238 107 L HN 0.153 nan 8.230 nan 0.000 0.466 108 P HA 0.341 nan 4.420 nan 0.000 0.282 108 P C -0.046 177.294 177.300 0.067 0.000 1.259 108 P CA -0.748 62.394 63.100 0.070 0.000 0.826 108 P CB 1.475 33.218 31.700 0.070 0.000 1.064 109 R N 0.846 121.375 120.500 0.048 0.000 2.369 109 R HA -0.011 4.333 4.340 0.007 0.000 0.200 109 R C 1.182 177.508 176.300 0.044 0.000 1.046 109 R CA 0.519 56.644 56.100 0.042 0.000 1.057 109 R CB -0.005 30.312 30.300 0.029 0.000 0.888 109 R HN 0.391 nan 8.270 nan 0.000 0.474 110 K N 0.036 120.465 120.400 0.048 0.000 2.356 110 K HA 0.009 4.334 4.320 0.007 0.000 0.195 110 K C 1.384 178.007 176.600 0.038 0.000 1.037 110 K CA 0.376 56.687 56.287 0.041 0.000 1.014 110 K CB 0.237 32.760 32.500 0.039 0.000 0.815 110 K HN 0.101 nan 8.250 nan 0.000 0.507 111 L N 1.101 122.358 121.223 0.057 0.000 2.640 111 L HA 0.174 4.518 4.340 0.007 0.000 0.230 111 L C 0.353 177.269 176.870 0.076 0.000 1.123 111 L CA 0.290 55.153 54.840 0.038 0.000 0.900 111 L CB 0.171 42.249 42.059 0.031 0.000 1.146 111 L HN 0.010 nan 8.230 nan 0.000 0.484 112 Q N 0.173 120.032 119.800 0.098 0.000 2.274 112 Q HA 0.457 4.801 4.340 0.007 0.000 0.260 112 Q C -1.101 174.930 176.000 0.052 0.000 0.974 112 Q CA -0.526 55.341 55.803 0.106 0.000 0.876 112 Q CB 1.469 30.268 28.738 0.101 0.000 1.297 112 Q HN 0.302 nan 8.270 nan 0.000 0.446 113 T N 1.296 115.876 114.554 0.043 0.000 2.893 113 T HA 0.403 4.758 4.350 0.007 0.000 0.324 113 T C -0.209 174.496 174.700 0.009 0.000 1.082 113 T CA -0.836 61.275 62.100 0.018 0.000 0.983 113 T CB 0.964 69.837 68.868 0.007 0.000 1.005 113 T HN 0.659 nan 8.240 nan 0.000 0.475 114 R N 3.843 124.344 120.500 0.002 0.000 2.758 114 R HA 0.250 4.595 4.340 0.007 0.000 0.263 114 R C -1.715 174.573 176.300 -0.019 0.000 1.010 114 R CA -0.780 55.313 56.100 -0.012 0.000 1.114 114 R CB -0.021 30.273 30.300 -0.010 0.000 0.985 114 R HN 0.445 nan 8.270 nan 0.000 0.439 115 P HA 0.063 nan 4.420 nan 0.000 0.273 115 P C -1.329 175.958 177.300 -0.023 0.000 1.250 115 P CA -0.299 62.783 63.100 -0.031 0.000 0.793 115 P CB 0.906 32.581 31.700 -0.042 0.000 1.011 116 S N -0.154 115.534 115.700 -0.021 0.000 2.552 116 S HA 0.443 4.917 4.470 0.007 0.000 0.314 116 S C -1.543 173.050 174.600 -0.012 0.000 1.099 116 S CA -0.974 57.216 58.200 -0.016 0.000 1.070 116 S CB 1.301 64.490 63.200 -0.019 0.000 0.998 116 S HN 0.399 nan 8.310 nan 0.000 0.474 117 P HA 0.314 nan 4.420 nan 0.000 0.257 117 P C 0.360 177.659 177.300 -0.001 0.000 1.281 117 P CA 0.030 63.128 63.100 -0.003 0.000 0.826 117 P CB 0.044 31.743 31.700 -0.002 0.000 1.237 118 G N 1.283 110.082 108.800 -0.003 0.000 2.759 118 G HA2 0.472 4.436 3.960 0.007 0.000 0.297 118 G HA3 0.472 4.436 3.960 0.007 0.000 0.297 118 G C -3.351 171.547 174.900 -0.004 0.000 1.434 118 G CA -0.958 44.142 45.100 -0.000 0.000 0.980 118 G HN -0.216 nan 8.290 nan 0.000 0.531 119 P HA 0.227 nan 4.420 nan 0.000 0.268 119 P C -2.383 174.916 177.300 -0.001 0.000 1.208 119 P CA -0.796 62.301 63.100 -0.006 0.000 0.777 119 P CB 0.246 31.947 31.700 0.001 0.000 0.875 120 P HA 0.140 nan 4.420 nan 0.000 0.271 120 P C -2.272 175.038 177.300 0.016 0.000 1.220 120 P CA -1.353 61.750 63.100 0.005 0.000 0.768 120 P CB -0.817 30.885 31.700 0.003 0.000 0.848 121 P HA -0.097 nan 4.420 nan 0.000 0.258 121 P C 1.015 178.330 177.300 0.026 0.000 1.172 121 P CA 0.331 63.442 63.100 0.019 0.000 0.762 121 P CB 0.263 31.973 31.700 0.017 0.000 0.764 122 A N 3.744 126.581 122.820 0.028 0.000 2.054 122 A HA -0.272 4.052 4.320 0.007 0.000 0.223 122 A C 2.193 179.797 177.584 0.032 0.000 1.169 122 A CA 2.259 54.317 52.037 0.035 0.000 0.655 122 A CB -0.865 18.155 19.000 0.032 0.000 0.812 122 A HN 0.594 nan 8.150 nan 0.000 0.462 123 E N -0.796 119.420 120.200 0.026 0.000 2.060 123 E HA -0.152 4.202 4.350 0.007 0.000 0.189 123 E C 2.213 178.830 176.600 0.029 0.000 0.974 123 E CA 1.148 57.562 56.400 0.024 0.000 0.808 123 E CB -0.319 29.392 29.700 0.018 0.000 0.768 123 E HN 0.660 nan 8.360 nan 0.000 0.453 124 Q N 0.505 120.323 119.800 0.030 0.000 2.084 124 Q HA -0.177 4.168 4.340 0.007 0.000 0.202 124 Q C 2.316 178.344 176.000 0.046 0.000 0.978 124 Q CA 1.414 57.237 55.803 0.034 0.000 0.844 124 Q CB -0.244 28.510 28.738 0.027 0.000 0.898 124 Q HN 0.480 nan 8.270 nan 0.000 0.426 125 L N 0.341 121.595 121.223 0.052 0.000 2.046 125 L HA -0.202 4.142 4.340 0.007 0.000 0.208 125 L C 2.285 179.215 176.870 0.100 0.000 1.077 125 L CA 0.807 55.694 54.840 0.079 0.000 0.747 125 L CB -0.247 41.862 42.059 0.083 0.000 0.896 125 L HN 0.291 nan 8.230 nan 0.000 0.432 126 L N -0.535 120.727 121.223 0.066 0.000 2.141 126 L HA -0.180 4.164 4.340 0.007 0.000 0.209 126 L C 2.806 179.697 176.870 0.035 0.000 1.094 126 L CA 1.886 56.746 54.840 0.034 0.000 0.763 126 L CB -1.056 41.013 42.059 0.017 0.000 0.908 126 L HN 0.313 nan 8.230 nan 0.000 0.437 127 S N -1.222 114.505 115.700 0.046 0.000 2.402 127 S HA -0.197 4.277 4.470 0.007 0.000 0.229 127 S C 1.839 176.484 174.600 0.074 0.000 1.021 127 S CA 1.218 59.447 58.200 0.049 0.000 0.974 127 S CB 0.078 63.304 63.200 0.042 0.000 0.800 127 S HN 0.591 nan 8.310 nan 0.000 0.484 128 Q N 0.192 120.047 119.800 0.092 0.000 2.137 128 Q HA 0.154 4.499 4.340 0.007 0.000 0.198 128 Q C 2.537 178.651 176.000 0.191 0.000 0.960 128 Q CA 1.073 56.953 55.803 0.128 0.000 0.847 128 Q CB -0.320 28.486 28.738 0.112 0.000 0.915 128 Q HN 0.641 nan 8.270 nan 0.000 0.448 129 A N 1.727 124.649 122.820 0.170 0.000 1.858 129 A HA -0.219 4.105 4.320 0.007 0.000 0.216 129 A C 2.045 179.697 177.584 0.114 0.000 1.190 129 A CA 1.427 53.552 52.037 0.148 0.000 0.617 129 A CB -0.439 18.474 19.000 -0.145 0.000 0.827 129 A HN 0.198 nan 8.150 nan 0.000 0.443 130 R N -0.664 119.870 120.500 0.057 0.000 2.091 130 R HA -0.180 4.164 4.340 0.007 0.000 0.238 130 R C 2.041 178.409 176.300 0.114 0.000 1.136 130 R CA 1.719 57.857 56.100 0.063 0.000 0.959 130 R CB -0.533 29.790 30.300 0.038 0.000 0.856 130 R HN 0.712 nan 8.270 nan 0.000 0.437 131 D N -0.041 120.439 120.400 0.133 0.000 2.117 131 D HA -0.196 4.448 4.640 0.007 0.000 0.197 131 D C 1.601 178.020 176.300 0.199 0.000 0.987 131 D CA 0.938 55.026 54.000 0.147 0.000 0.829 131 D CB -0.027 40.857 40.800 0.141 0.000 0.961 131 D HN 0.122 nan 8.370 nan 0.000 0.460 132 F N 0.789 120.824 119.950 0.141 0.000 2.146 132 F HA -0.072 4.459 4.527 0.006 0.000 0.298 132 F C 1.890 177.821 175.800 0.218 0.000 1.096 132 F CA 0.901 59.020 58.000 0.199 0.000 1.275 132 F CB -0.253 38.878 39.000 0.218 0.000 1.008 132 F HN -0.020 nan 8.300 nan 0.000 0.480 133 I N 1.019 121.570 120.570 -0.031 0.000 2.163 133 I HA -0.337 3.837 4.170 0.007 0.000 0.243 133 I C 1.992 178.072 176.117 -0.061 0.000 1.085 133 I CA 1.345 62.616 61.300 -0.049 0.000 1.347 133 I CB -1.760 36.322 38.000 0.135 0.000 1.044 133 I HN 0.208 nan 8.210 nan 0.000 0.408 134 N N 1.018 119.714 118.700 -0.006 0.000 2.104 134 N HA -0.203 4.541 4.740 0.007 0.000 0.190 134 N C 1.834 177.260 175.510 -0.140 0.000 1.024 134 N CA 1.171 54.194 53.050 -0.044 0.000 0.853 134 N CB -0.417 38.127 38.487 0.095 0.000 1.008 134 N HN 0.519 nan 8.380 nan 0.000 0.424 135 Q N -0.795 118.939 119.800 -0.111 0.000 2.084 135 Q HA -0.167 4.177 4.340 0.007 0.000 0.202 135 Q C 1.711 177.442 176.000 -0.448 0.000 0.978 135 Q CA 1.160 56.908 55.803 -0.092 0.000 0.844 135 Q CB -0.286 28.561 28.738 0.182 0.000 0.898 135 Q HN 0.456 nan 8.270 nan 0.000 0.426 136 Y N 0.391 120.181 120.300 -0.851 0.000 2.070 136 Y HA -0.311 4.242 4.550 0.005 0.000 0.280 136 Y C 1.820 177.148 175.900 -0.953 0.000 1.148 136 Y CA 1.621 58.939 58.100 -1.303 0.000 1.125 136 Y CB -0.650 37.137 38.460 -1.121 0.000 0.975 136 Y HN 0.065 nan 8.280 nan 0.000 0.492 137 Y N -0.259 119.570 120.300 -0.784 0.000 2.256 137 Y HA -0.223 4.332 4.550 0.008 0.000 0.288 137 Y C 2.819 178.394 175.900 -0.542 0.000 1.155 137 Y CA 1.791 59.458 58.100 -0.722 0.000 1.203 137 Y CB -0.643 37.315 38.460 -0.837 0.000 0.980 137 Y HN 0.100 nan 8.280 nan 0.000 0.530 138 S N -0.745 114.750 115.700 -0.341 0.000 2.383 138 S HA -0.189 4.285 4.470 0.007 0.000 0.227 138 S C 2.264 176.708 174.600 -0.260 0.000 1.026 138 S CA 1.274 59.345 58.200 -0.215 0.000 0.981 138 S CB -0.503 62.620 63.200 -0.129 0.000 0.818 138 S HN 0.651 nan 8.310 nan 0.000 0.472 139 S N 2.553 117.995 115.700 -0.430 0.000 2.383 139 S HA -0.022 4.452 4.470 0.007 0.000 0.227 139 S C 1.775 176.155 174.600 -0.367 0.000 1.026 139 S CA 1.018 59.000 58.200 -0.363 0.000 0.981 139 S CB -0.798 62.087 63.200 -0.525 0.000 0.818 139 S HN 0.727 nan 8.310 nan 0.000 0.472 140 I N -2.789 117.451 120.570 -0.551 0.000 3.684 140 I HA 0.309 4.484 4.170 0.007 0.000 0.304 140 I C -0.381 175.587 176.117 -0.248 0.000 1.278 140 I CA -0.182 60.863 61.300 -0.425 0.000 1.272 140 I CB -0.292 37.347 38.000 -0.600 0.000 1.029 140 I HN -0.081 nan 8.210 nan 0.000 0.458 141 K N 2.646 122.921 120.400 -0.209 0.000 3.239 141 K HA -0.108 4.217 4.320 0.007 0.000 0.270 141 K C -0.400 176.164 176.600 -0.060 0.000 1.083 141 K CA 0.444 56.665 56.287 -0.111 0.000 0.782 141 K CB -1.743 30.708 32.500 -0.082 0.000 1.290 141 K HN 0.609 nan 8.250 nan 0.000 0.474 142 R N -0.669 119.815 120.500 -0.026 0.000 2.617 142 R HA 0.113 4.457 4.340 0.007 0.000 0.432 142 R C -0.528 175.846 176.300 0.124 0.000 1.018 142 R CA -0.382 55.760 56.100 0.071 0.000 1.077 142 R CB 0.767 31.173 30.300 0.178 0.000 1.394 142 R HN 0.042 nan 8.270 nan 0.000 0.608 143 S N 0.104 115.861 115.700 0.095 0.000 2.488 143 S HA 0.355 4.829 4.470 0.007 0.000 0.278 143 S C 1.305 175.999 174.600 0.157 0.000 1.259 143 S CA 0.847 59.178 58.200 0.218 0.000 1.061 143 S CB 1.170 64.431 63.200 0.103 0.000 0.910 143 S HN 0.722 nan 8.310 nan 0.000 0.491 144 G N 2.636 111.517 108.800 0.136 0.000 2.195 144 G HA2 -0.309 3.655 3.960 0.007 0.000 0.246 144 G HA3 -0.309 3.655 3.960 0.007 0.000 0.246 144 G C 0.394 175.231 174.900 -0.104 0.000 0.984 144 G CA 0.144 45.184 45.100 -0.100 0.000 0.633 144 G HN 1.076 nan 8.290 nan 0.000 0.525 145 S N 0.348 116.024 115.700 -0.040 0.000 2.617 145 S HA 0.402 4.876 4.470 0.007 0.000 0.255 145 S C 1.765 176.309 174.600 -0.093 0.000 1.318 145 S CA 0.709 58.882 58.200 -0.045 0.000 0.978 145 S CB 0.877 64.079 63.200 0.004 0.000 0.961 145 S HN 0.764 nan 8.310 nan 0.000 0.582 146 Q N 0.664 120.428 119.800 -0.060 0.000 2.079 146 Q HA -0.055 4.289 4.340 0.007 0.000 0.200 146 Q C 2.250 178.209 176.000 -0.068 0.000 0.974 146 Q CA 1.650 57.415 55.803 -0.063 0.000 0.840 146 Q CB -1.307 27.412 28.738 -0.032 0.000 0.898 146 Q HN 0.851 nan 8.270 nan 0.000 0.430 147 A N 1.625 124.422 122.820 -0.038 0.000 1.898 147 A HA -0.222 4.103 4.320 0.007 0.000 0.216 147 A C 2.082 179.547 177.584 -0.199 0.000 1.181 147 A CA 1.526 53.560 52.037 -0.006 0.000 0.620 147 A CB -1.121 17.962 19.000 0.139 0.000 0.819 147 A HN 0.677 nan 8.150 nan 0.000 0.442 148 H N -0.571 118.096 119.070 -0.671 0.000 2.293 148 H HA -0.129 4.432 4.556 0.007 0.000 0.300 148 H C 1.864 176.855 175.328 -0.563 0.000 1.082 148 H CA 1.337 56.630 56.048 -1.257 0.000 1.308 148 H CB 0.111 29.280 29.762 -0.989 0.000 1.375 148 H HN 0.395 nan 8.280 nan 0.000 0.495 149 E N 0.643 120.637 120.200 -0.343 0.000 2.153 149 E HA -0.152 4.202 4.350 0.007 0.000 0.194 149 E C 2.087 178.599 176.600 -0.146 0.000 0.988 149 E CA 0.854 57.085 56.400 -0.280 0.000 0.811 149 E CB -0.109 29.450 29.700 -0.235 0.000 0.746 149 E HN 0.683 nan 8.360 nan 0.000 0.466 150 E N 0.422 120.558 120.200 -0.107 0.000 2.047 150 E HA -0.164 4.190 4.350 0.007 0.000 0.191 150 E C 2.156 178.747 176.600 -0.014 0.000 0.987 150 E CA 0.827 57.199 56.400 -0.046 0.000 0.799 150 E CB -0.007 29.681 29.700 -0.020 0.000 0.752 150 E HN -0.084 nan 8.360 nan 0.000 0.449 151 R N 1.171 121.674 120.500 0.006 0.000 2.096 151 R HA -0.108 4.237 4.340 0.007 0.000 0.235 151 R C 2.034 178.360 176.300 0.043 0.000 1.127 151 R CA 1.236 57.383 56.100 0.078 0.000 0.968 151 R CB -0.646 29.786 30.300 0.220 0.000 0.861 151 R HN 0.169 nan 8.270 nan 0.000 0.440 152 L N 0.144 121.374 121.223 0.012 0.000 2.012 152 L HA -0.232 4.112 4.340 0.007 0.000 0.210 152 L C 2.548 179.397 176.870 -0.036 0.000 1.073 152 L CA 1.842 56.675 54.840 -0.013 0.000 0.748 152 L CB -0.485 41.548 42.059 -0.043 0.000 0.891 152 L HN 0.339 nan 8.230 nan 0.000 0.431 153 Q N -0.558 119.221 119.800 -0.036 0.000 2.167 153 Q HA -0.251 4.093 4.340 0.007 0.000 0.202 153 Q C 2.088 178.080 176.000 -0.012 0.000 0.970 153 Q CA 1.387 57.173 55.803 -0.028 0.000 0.855 153 Q CB -0.116 28.605 28.738 -0.029 0.000 0.911 153 Q HN 0.502 nan 8.270 nan 0.000 0.438 154 E N 0.374 120.575 120.200 0.001 0.000 2.077 154 E HA -0.174 4.180 4.350 0.007 0.000 0.193 154 E C 1.931 178.542 176.600 0.019 0.000 0.989 154 E CA 1.113 57.527 56.400 0.022 0.000 0.800 154 E CB 0.226 29.954 29.700 0.046 0.000 0.746 154 E HN 0.134 nan 8.360 nan 0.000 0.452 155 V N 2.301 122.199 119.914 -0.028 0.000 2.270 155 V HA -0.246 3.878 4.120 0.007 0.000 0.245 155 V C 2.298 178.338 176.094 -0.090 0.000 1.043 155 V CA 2.234 64.460 62.300 -0.124 0.000 1.014 155 V CB -0.677 30.942 31.823 -0.341 0.000 0.645 155 V HN 0.439 nan 8.190 nan 0.000 0.447 156 E N 1.189 121.345 120.200 -0.072 0.000 2.338 156 E HA -0.133 4.221 4.350 0.007 0.000 0.197 156 E C 2.026 178.625 176.600 -0.001 0.000 1.007 156 E CA 1.286 57.665 56.400 -0.035 0.000 0.849 156 E CB -0.265 29.415 29.700 -0.032 0.000 0.774 156 E HN 0.553 nan 8.360 nan 0.000 0.506 157 A N 2.019 124.843 122.820 0.006 0.000 1.874 157 A HA -0.173 4.151 4.320 0.007 0.000 0.214 157 A C 2.144 179.754 177.584 0.043 0.000 1.189 157 A CA 1.269 53.319 52.037 0.021 0.000 0.615 157 A CB -0.410 18.601 19.000 0.019 0.000 0.830 157 A HN 0.303 nan 8.150 nan 0.000 0.443 158 E N -0.129 120.109 120.200 0.064 0.000 2.077 158 E HA -0.134 4.220 4.350 0.007 0.000 0.193 158 E C 1.796 178.470 176.600 0.123 0.000 0.989 158 E CA 1.485 57.950 56.400 0.108 0.000 0.800 158 E CB -0.104 29.699 29.700 0.172 0.000 0.746 158 E HN 0.278 nan 8.360 nan 0.000 0.452 159 V N 1.144 121.129 119.914 0.119 0.000 2.515 159 V HA -0.242 3.882 4.120 0.007 0.000 0.250 159 V C 2.344 178.484 176.094 0.075 0.000 1.058 159 V CA 1.546 63.917 62.300 0.119 0.000 1.064 159 V CB -0.689 31.197 31.823 0.105 0.000 0.675 159 V HN 0.429 nan 8.190 nan 0.000 0.461 160 A N 1.073 123.925 122.820 0.054 0.000 1.845 160 A HA -0.225 4.099 4.320 0.007 0.000 0.215 160 A C 2.552 180.160 177.584 0.041 0.000 1.195 160 A CA 2.583 54.644 52.037 0.039 0.000 0.616 160 A CB -0.858 18.159 19.000 0.028 0.000 0.832 160 A HN 0.669 nan 8.150 nan 0.000 0.443 161 S N -1.081 114.646 115.700 0.045 0.000 2.414 161 S HA -0.099 4.375 4.470 0.007 0.000 0.227 161 S C 1.807 176.437 174.600 0.050 0.000 1.022 161 S CA 1.740 59.965 58.200 0.042 0.000 0.958 161 S CB -0.819 62.404 63.200 0.038 0.000 0.797 161 S HN 0.816 nan 8.310 nan 0.000 0.493 162 T N -3.269 111.325 114.554 0.067 0.000 3.023 162 T HA 0.520 4.874 4.350 0.007 0.000 0.249 162 T C 1.645 176.387 174.700 0.069 0.000 1.050 162 T CA 0.833 62.977 62.100 0.073 0.000 1.088 162 T CB -0.042 68.887 68.868 0.101 0.000 0.946 162 T HN 1.196 nan 8.240 nan 0.000 0.480 163 G N 0.158 109.002 108.800 0.073 0.000 2.159 163 G HA2 -0.095 3.869 3.960 0.007 0.000 0.227 163 G HA3 -0.095 3.869 3.960 0.007 0.000 0.227 163 G C 0.164 175.109 174.900 0.074 0.000 0.986 163 G CA 0.437 45.575 45.100 0.063 0.000 0.651 163 G HN 1.043 nan 8.290 nan 0.000 0.523 164 T N -1.427 113.192 114.554 0.108 0.000 2.661 164 T HA 0.684 5.038 4.350 0.007 0.000 0.305 164 T C -1.342 173.503 174.700 0.241 0.000 1.441 164 T CA 0.463 62.633 62.100 0.116 0.000 0.999 164 T CB 1.329 70.185 68.868 -0.020 0.000 1.650 164 T HN 1.634 nan 8.240 nan 0.000 0.489 165 Y N -0.529 119.793 120.300 0.037 0.000 2.728 165 Y HA 0.879 5.433 4.550 0.006 0.000 0.330 165 Y C -1.526 174.432 175.900 0.097 0.000 1.234 165 Y CA -1.122 57.069 58.100 0.151 0.000 1.070 165 Y CB 0.770 39.300 38.460 0.117 0.000 1.300 165 Y HN 0.765 nan 8.280 nan 0.000 0.467 166 H N 0.468 119.571 119.070 0.056 0.000 2.690 166 H HA 0.653 5.213 4.556 0.006 0.000 0.368 166 H C -0.834 174.560 175.328 0.110 0.000 1.150 166 H CA -0.905 55.118 56.048 -0.041 0.000 1.174 166 H CB 1.843 31.622 29.762 0.027 0.000 1.684 166 H HN 0.752 nan 8.280 nan 0.000 0.538 167 L N 1.704 123.020 121.223 0.154 0.000 2.439 167 L HA 0.504 4.848 4.340 0.007 0.000 0.259 167 L C 0.596 177.548 176.870 0.137 0.000 1.129 167 L CA -0.771 54.186 54.840 0.196 0.000 0.803 167 L CB 0.712 42.855 42.059 0.140 0.000 1.161 167 L HN 0.414 nan 8.230 nan 0.000 0.462 168 R N 0.538 121.083 120.500 0.075 0.000 2.536 168 R HA 0.112 4.456 4.340 0.007 0.000 0.279 168 R C 0.905 177.191 176.300 -0.023 0.000 1.001 168 R CA -0.606 55.503 56.100 0.014 0.000 1.027 168 R CB 1.448 31.729 30.300 -0.031 0.000 1.096 168 R HN 0.658 nan 8.270 nan 0.000 0.502 169 E N 1.272 121.462 120.200 -0.017 0.000 2.113 169 E HA -0.306 4.049 4.350 0.007 0.000 0.210 169 E C 1.355 177.935 176.600 -0.034 0.000 1.040 169 E CA 2.720 59.104 56.400 -0.027 0.000 0.847 169 E CB 0.071 29.760 29.700 -0.018 0.000 0.755 169 E HN 0.681 nan 8.360 nan 0.000 0.459 170 S N -0.110 115.568 115.700 -0.037 0.000 2.428 170 S HA -0.113 4.361 4.470 0.007 0.000 0.230 170 S C 1.722 176.306 174.600 -0.027 0.000 1.014 170 S CA 1.033 59.237 58.200 0.006 0.000 0.957 170 S CB -0.208 63.034 63.200 0.070 0.000 0.784 170 S HN 0.327 nan 8.310 nan 0.000 0.499 171 E N 0.936 120.981 120.200 -0.258 0.000 2.106 171 E HA -0.060 4.294 4.350 0.007 0.000 0.192 171 E C 1.993 178.737 176.600 0.239 0.000 0.984 171 E CA 1.082 57.343 56.400 -0.232 0.000 0.806 171 E CB -0.311 29.262 29.700 -0.211 0.000 0.750 171 E HN 0.444 nan 8.360 nan 0.000 0.458 172 L N 0.766 122.027 121.223 0.064 0.000 2.056 172 L HA -0.131 4.213 4.340 0.007 0.000 0.207 172 L C 2.208 179.063 176.870 -0.026 0.000 1.078 172 L CA 1.216 56.033 54.840 -0.039 0.000 0.749 172 L CB -0.150 41.823 42.059 -0.144 0.000 0.901 172 L HN -0.084 nan 8.230 nan 0.000 0.433 173 V N -0.372 119.554 119.914 0.021 0.000 2.490 173 V HA -0.293 3.831 4.120 0.007 0.000 0.250 173 V C 2.278 178.444 176.094 0.120 0.000 1.061 173 V CA 2.035 64.350 62.300 0.026 0.000 1.064 173 V CB -1.009 30.831 31.823 0.029 0.000 0.670 173 V HN 0.565 nan 8.190 nan 0.000 0.461 174 F N 2.131 122.157 119.950 0.126 0.000 2.098 174 F HA 0.076 4.606 4.527 0.005 0.000 0.294 174 F C 2.235 178.185 175.800 0.250 0.000 1.107 174 F CA 1.645 59.781 58.000 0.228 0.000 1.234 174 F CB -0.985 38.229 39.000 0.357 0.000 1.002 174 F HN 0.116 nan 8.300 nan 0.000 0.472 175 G N -0.014 108.815 108.800 0.048 0.000 2.440 175 G HA2 -0.239 3.726 3.960 0.007 0.000 0.218 175 G HA3 -0.239 3.726 3.960 0.007 0.000 0.218 175 G C 1.818 176.544 174.900 -0.290 0.000 1.154 175 G CA 0.949 45.939 45.100 -0.183 0.000 0.767 175 G HN 0.651 nan 8.290 nan 0.000 0.552 176 A N 0.820 123.509 122.820 -0.220 0.000 1.902 176 A HA -0.016 4.308 4.320 0.007 0.000 0.217 176 A C 2.295 179.843 177.584 -0.060 0.000 1.181 176 A CA 1.926 53.842 52.037 -0.203 0.000 0.623 176 A CB -0.333 18.582 19.000 -0.142 0.000 0.818 176 A HN 0.382 nan 8.150 nan 0.000 0.443 177 K N -1.155 119.254 120.400 0.014 0.000 2.288 177 K HA -0.106 4.218 4.320 0.007 0.000 0.201 177 K C 2.212 178.929 176.600 0.195 0.000 1.048 177 K CA 1.234 57.642 56.287 0.202 0.000 0.956 177 K CB -0.016 32.597 32.500 0.188 0.000 0.746 177 K HN 0.441 nan 8.250 nan 0.000 0.461 178 Q N 0.730 120.456 119.800 -0.124 0.000 2.137 178 Q HA 0.035 4.379 4.340 0.007 0.000 0.198 178 Q C 1.835 177.718 176.000 -0.195 0.000 0.960 178 Q CA 1.381 57.029 55.803 -0.258 0.000 0.847 178 Q CB -0.082 28.326 28.738 -0.549 0.000 0.915 178 Q HN 0.279 nan 8.270 nan 0.000 0.448 179 A N -0.500 122.169 122.820 -0.252 0.000 1.933 179 A HA -0.170 4.155 4.320 0.007 0.000 0.218 179 A C 1.799 179.335 177.584 -0.081 0.000 1.175 179 A CA 1.413 53.224 52.037 -0.377 0.000 0.628 179 A CB -1.067 17.375 19.000 -0.931 0.000 0.814 179 A HN 0.685 nan 8.150 nan 0.000 0.444 180 W N 0.875 122.132 121.300 -0.072 0.000 2.407 180 W HA -0.066 4.597 4.660 0.005 0.000 0.305 180 W C 2.270 178.794 176.519 0.007 0.000 1.196 180 W CA 1.370 58.773 57.345 0.097 0.000 1.311 180 W CB -0.718 28.814 29.460 0.120 0.000 1.135 180 W HN 0.340 nan 8.180 nan 0.000 0.514 181 R N 0.352 120.870 120.500 0.030 0.000 2.127 181 R HA -0.186 4.158 4.340 0.007 0.000 0.238 181 R C 1.278 177.467 176.300 -0.185 0.000 1.134 181 R CA 1.743 57.667 56.100 -0.292 0.000 0.975 181 R CB -0.472 29.434 30.300 -0.657 0.000 0.865 181 R HN 0.088 nan 8.270 nan 0.000 0.447 182 N N -0.041 118.591 118.700 -0.114 0.000 2.336 182 N HA 0.053 4.797 4.740 0.007 0.000 0.189 182 N C -0.644 174.830 175.510 -0.059 0.000 1.113 182 N CA 0.406 53.394 53.050 -0.103 0.000 0.858 182 N CB 0.861 39.279 38.487 -0.114 0.000 0.970 182 N HN 0.141 nan 8.380 nan 0.000 0.471 183 A N 1.601 124.438 122.820 0.028 0.000 2.376 183 A HA 0.332 4.656 4.320 0.007 0.000 0.298 183 A C -1.306 176.271 177.584 -0.013 0.000 1.271 183 A CA -1.074 50.979 52.037 0.026 0.000 0.926 183 A CB 0.507 19.581 19.000 0.124 0.000 1.141 183 A HN -0.021 nan 8.150 nan 0.000 0.539 184 P HA -0.152 nan 4.420 nan 0.000 0.216 184 P C 1.150 178.395 177.300 -0.093 0.000 1.150 184 P CA 1.268 64.309 63.100 -0.099 0.000 0.837 184 P CB 0.151 31.753 31.700 -0.162 0.000 0.786 185 R N -2.234 118.165 120.500 -0.168 0.000 2.310 185 R HA 0.114 4.458 4.340 0.007 0.000 0.202 185 R C 0.456 176.746 176.300 -0.016 0.000 0.933 185 R CA -0.082 55.927 56.100 -0.153 0.000 1.054 185 R CB -0.570 29.420 30.300 -0.516 0.000 0.985 185 R HN 0.198 nan 8.270 nan 0.000 0.489 186 C N 0.421 119.720 119.300 -0.003 0.000 2.325 186 C HA 0.225 4.689 4.460 0.007 0.000 0.347 186 C C 1.762 176.735 174.990 -0.029 0.000 1.263 186 C CA -0.646 58.400 59.018 0.048 0.000 1.806 186 C CB 0.708 28.554 27.740 0.178 0.000 2.405 186 C HN 0.280 nan 8.230 nan 0.000 0.537 187 V N 5.997 125.843 119.914 -0.113 0.000 3.649 187 V HA 0.277 4.401 4.120 0.007 0.000 0.275 187 V C 1.586 177.713 176.094 0.056 0.000 1.281 187 V CA 1.604 63.725 62.300 -0.299 0.000 1.143 187 V CB -0.054 31.571 31.823 -0.330 0.000 0.892 187 V HN 1.075 nan 8.190 nan 0.000 0.441 188 G N -0.379 108.487 108.800 0.110 0.000 3.609 188 G HA2 0.114 4.078 3.960 0.007 0.000 0.280 188 G HA3 0.114 4.078 3.960 0.007 0.000 0.280 188 G C 1.076 176.054 174.900 0.130 0.000 1.155 188 G CA -0.392 44.785 45.100 0.128 0.000 0.876 188 G HN 0.432 nan 8.290 nan 0.000 0.535 189 R N -0.126 120.362 120.500 -0.020 0.000 2.328 189 R HA 0.132 4.476 4.340 0.007 0.000 0.207 189 R C 1.907 177.791 176.300 -0.693 0.000 1.056 189 R CA 0.117 55.913 56.100 -0.506 0.000 1.016 189 R CB -0.104 29.857 30.300 -0.566 0.000 0.872 189 R HN 0.437 nan 8.270 nan 0.000 0.471 190 I N 0.999 121.341 120.570 -0.380 0.000 2.756 190 I HA -0.225 3.949 4.170 0.007 0.000 0.262 190 I C 1.097 177.170 176.117 -0.073 0.000 1.225 190 I CA 1.283 62.527 61.300 -0.093 0.000 1.472 190 I CB 0.186 38.220 38.000 0.058 0.000 1.094 190 I HN 0.222 nan 8.210 nan 0.000 0.454 191 Q N 0.281 119.941 119.800 -0.233 0.000 2.247 191 Q HA -0.041 4.304 4.340 0.007 0.000 0.204 191 Q C 1.475 177.007 176.000 -0.779 0.000 0.872 191 Q CA -0.055 55.578 55.803 -0.283 0.000 0.951 191 Q CB -0.019 28.732 28.738 0.021 0.000 1.099 191 Q HN 0.741 nan 8.270 nan 0.000 0.501 192 W N 0.358 120.941 121.300 -1.194 0.000 2.308 192 W HA -0.174 4.493 4.660 0.011 0.000 0.301 192 W C 1.160 177.359 176.519 -0.533 0.000 1.220 192 W CA 1.401 57.885 57.345 -1.434 0.000 1.240 192 W CB -1.395 27.447 29.460 -1.029 0.000 1.142 192 W HN 0.068 nan 8.180 nan 0.000 0.521 193 G N 1.277 108.989 108.800 -1.814 0.000 2.408 193 G HA2 -0.251 3.713 3.960 0.007 0.000 0.217 193 G HA3 -0.251 3.713 3.960 0.007 0.000 0.217 193 G C 1.014 175.558 174.900 -0.593 0.000 1.150 193 G CA 0.544 44.775 45.100 -1.448 0.000 0.776 193 G HN 0.289 nan 8.290 nan 0.000 0.542 194 K N 0.204 120.375 120.400 -0.382 0.000 2.150 194 K HA 0.459 4.784 4.320 0.007 0.000 0.261 194 K C -1.421 175.232 176.600 0.088 0.000 1.127 194 K CA -0.484 55.741 56.287 -0.104 0.000 0.989 194 K CB -0.090 32.398 32.500 -0.019 0.000 1.475 194 K HN 0.106 nan 8.250 nan 0.000 0.391 195 L N 2.920 124.183 121.223 0.067 0.000 2.464 195 L HA 0.311 4.655 4.340 0.007 0.000 0.266 195 L C -1.431 175.434 176.870 -0.007 0.000 0.965 195 L CA -0.452 54.482 54.840 0.157 0.000 0.833 195 L CB 2.031 44.267 42.059 0.294 0.000 1.296 195 L HN 0.432 nan 8.230 nan 0.000 0.405 196 Q N 3.404 123.162 119.800 -0.070 0.000 2.349 196 Q HA 0.488 4.832 4.340 0.007 0.000 0.254 196 Q C -1.584 174.127 176.000 -0.481 0.000 0.980 196 Q CA -0.170 55.431 55.803 -0.335 0.000 0.924 196 Q CB 1.118 29.594 28.738 -0.436 0.000 1.209 196 Q HN 0.526 nan 8.270 nan 0.000 0.445 197 V N 6.462 126.114 119.914 -0.436 0.000 2.334 197 V HA 0.318 4.442 4.120 0.007 0.000 0.267 197 V C -0.574 175.249 176.094 -0.452 0.000 1.040 197 V CA -0.435 61.653 62.300 -0.353 0.000 0.866 197 V CB -0.141 31.557 31.823 -0.207 0.000 1.019 197 V HN 0.642 nan 8.190 nan 0.000 0.468 198 F N 2.990 122.775 119.950 -0.275 0.000 2.390 198 F HA 0.319 4.848 4.527 0.003 0.000 0.361 198 F C 0.781 176.374 175.800 -0.346 0.000 1.124 198 F CA -0.602 57.219 58.000 -0.298 0.000 1.149 198 F CB 0.579 39.383 39.000 -0.326 0.000 1.160 198 F HN 0.413 nan 8.300 nan 0.000 0.501 199 D N 2.833 123.163 120.400 -0.116 0.000 2.351 199 D HA 0.412 5.056 4.640 0.007 0.000 0.251 199 D C -0.004 176.095 176.300 -0.336 0.000 1.137 199 D CA 0.297 54.171 54.000 -0.210 0.000 0.879 199 D CB 1.429 42.154 40.800 -0.126 0.000 1.181 199 D HN 0.666 nan 8.370 nan 0.000 0.448 200 A N 4.326 126.824 122.820 -0.537 0.000 2.543 200 A HA 0.136 4.460 4.320 0.007 0.000 0.279 200 A C 1.268 178.584 177.584 -0.447 0.000 0.917 200 A CA -0.381 51.131 52.037 -0.874 0.000 1.036 200 A CB 0.186 18.101 19.000 -1.809 0.000 1.227 200 A HN 0.554 nan 8.150 nan 0.000 0.503 201 R N 0.642 121.000 120.500 -0.236 0.000 2.339 201 R HA -0.055 4.289 4.340 0.007 0.000 0.199 201 R C 0.878 177.163 176.300 -0.025 0.000 1.018 201 R CA 1.195 57.233 56.100 -0.103 0.000 1.036 201 R CB 0.092 30.376 30.300 -0.027 0.000 0.899 201 R HN 0.687 nan 8.270 nan 0.000 0.473 202 D N -0.590 119.816 120.400 0.011 0.000 2.327 202 D HA -0.078 4.566 4.640 0.007 0.000 0.205 202 D C 0.640 177.030 176.300 0.150 0.000 0.989 202 D CA -0.205 53.849 54.000 0.091 0.000 0.873 202 D CB -0.639 40.231 40.800 0.117 0.000 0.955 202 D HN -0.017 nan 8.370 nan 0.000 0.515 203 C N 1.841 121.253 119.300 0.186 0.000 2.465 203 C HA 0.230 4.694 4.460 0.007 0.000 0.402 203 C C 1.720 176.879 174.990 0.282 0.000 1.448 203 C CA 0.898 60.102 59.018 0.309 0.000 1.589 203 C CB -0.656 27.332 27.740 0.413 0.000 2.535 203 C HN 0.501 nan 8.230 nan 0.000 0.600 204 S N 2.232 118.144 115.700 0.352 0.000 2.728 204 S HA 0.250 4.725 4.470 0.007 0.000 0.257 204 S C 0.073 174.857 174.600 0.307 0.000 1.060 204 S CA 0.289 58.718 58.200 0.381 0.000 1.126 204 S CB -0.149 63.186 63.200 0.225 0.000 1.099 204 S HN 1.205 nan 8.310 nan 0.000 0.617 205 S N 0.118 115.979 115.700 0.268 0.000 2.627 205 S HA 0.857 5.331 4.470 0.007 0.000 0.283 205 S C 0.938 175.601 174.600 0.105 0.000 1.127 205 S CA -0.270 58.011 58.200 0.135 0.000 0.863 205 S CB 1.292 64.556 63.200 0.106 0.000 1.121 205 S HN 0.387 nan 8.310 nan 0.000 0.479 206 A N 0.764 123.601 122.820 0.027 0.000 1.933 206 A HA -0.079 4.245 4.320 0.007 0.000 0.218 206 A C 2.137 179.626 177.584 -0.159 0.000 1.175 206 A CA 2.117 54.133 52.037 -0.034 0.000 0.628 206 A CB -1.249 17.808 19.000 0.094 0.000 0.814 206 A HN 0.899 nan 8.150 nan 0.000 0.444 207 Q N 0.140 119.958 119.800 0.030 0.000 2.124 207 Q HA -0.178 4.166 4.340 0.007 0.000 0.202 207 Q C 1.875 177.873 176.000 -0.003 0.000 0.977 207 Q CA 2.243 58.064 55.803 0.030 0.000 0.850 207 Q CB -0.372 28.481 28.738 0.191 0.000 0.901 207 Q HN 0.748 nan 8.270 nan 0.000 0.429 208 E N -0.842 119.388 120.200 0.049 0.000 2.150 208 E HA -0.161 4.193 4.350 0.007 0.000 0.193 208 E C 1.862 178.552 176.600 0.151 0.000 0.985 208 E CA 1.050 57.492 56.400 0.071 0.000 0.814 208 E CB -0.065 29.725 29.700 0.150 0.000 0.752 208 E HN 0.465 nan 8.360 nan 0.000 0.466 209 M N -0.208 119.459 119.600 0.112 0.000 2.117 209 M HA -0.155 4.329 4.480 0.007 0.000 0.262 209 M C 2.114 178.458 176.300 0.072 0.000 1.065 209 M CA 1.236 56.571 55.300 0.057 0.000 1.114 209 M CB -0.323 32.100 32.600 -0.295 0.000 1.361 209 M HN 0.193 nan 8.290 nan 0.000 0.408 210 F N 1.323 121.070 119.950 -0.339 0.000 2.134 210 F HA -0.198 4.335 4.527 0.009 0.000 0.299 210 F C 2.312 178.032 175.800 -0.135 0.000 1.097 210 F CA 1.895 59.675 58.000 -0.367 0.000 1.264 210 F CB -0.835 37.728 39.000 -0.728 0.000 1.001 210 F HN 0.075 nan 8.300 nan 0.000 0.479 211 T N -0.459 113.967 114.554 -0.212 0.000 2.708 211 T HA -0.242 4.112 4.350 0.007 0.000 0.266 211 T C 1.741 176.289 174.700 -0.253 0.000 1.037 211 T CA 1.825 63.744 62.100 -0.301 0.000 1.146 211 T CB -0.823 67.894 68.868 -0.252 0.000 0.865 211 T HN 0.240 nan 8.240 nan 0.000 0.435 212 Y N 1.229 121.490 120.300 -0.065 0.000 2.128 212 Y HA -0.055 4.498 4.550 0.005 0.000 0.284 212 Y C 2.285 178.148 175.900 -0.062 0.000 1.154 212 Y CA 0.314 58.390 58.100 -0.039 0.000 1.149 212 Y CB -0.732 37.825 38.460 0.163 0.000 0.976 212 Y HN 0.200 nan 8.280 nan 0.000 0.505 213 I N -1.772 118.904 120.570 0.177 0.000 2.226 213 I HA -0.359 3.815 4.170 0.007 0.000 0.245 213 I C 2.400 178.465 176.117 -0.086 0.000 1.100 213 I CA 1.071 62.410 61.300 0.064 0.000 1.374 213 I CB -0.554 37.476 38.000 0.050 0.000 1.057 213 I HN 0.243 nan 8.210 nan 0.000 0.413 214 C N 0.644 119.782 119.300 -0.270 0.000 2.440 214 C HA -0.113 4.351 4.460 0.007 0.000 0.278 214 C C 2.652 177.539 174.990 -0.171 0.000 1.295 214 C CA 0.765 59.596 59.018 -0.312 0.000 1.738 214 C CB -1.343 26.069 27.740 -0.546 0.000 1.987 214 C HN 0.537 nan 8.230 nan 0.000 0.492 215 N N -0.143 118.452 118.700 -0.174 0.000 2.142 215 N HA -0.133 4.611 4.740 0.007 0.000 0.186 215 N C 1.465 176.879 175.510 -0.161 0.000 1.023 215 N CA 1.321 54.261 53.050 -0.182 0.000 0.852 215 N CB -0.737 37.591 38.487 -0.264 0.000 0.998 215 N HN 0.741 nan 8.380 nan 0.000 0.424 216 H N 0.798 119.710 119.070 -0.265 0.000 2.290 216 H HA 0.022 4.584 4.556 0.009 0.000 0.298 216 H C 2.149 177.474 175.328 -0.005 0.000 1.087 216 H CA 1.573 57.512 56.048 -0.182 0.000 1.291 216 H CB 0.005 29.705 29.762 -0.104 0.000 1.369 216 H HN 0.081 nan 8.280 nan 0.000 0.492 217 I N 0.619 121.290 120.570 0.167 0.000 2.208 217 I HA -0.271 3.904 4.170 0.007 0.000 0.245 217 I C 2.455 178.632 176.117 0.100 0.000 1.097 217 I CA 1.344 62.703 61.300 0.098 0.000 1.363 217 I CB -0.330 37.661 38.000 -0.016 0.000 1.051 217 I HN 0.316 nan 8.210 nan 0.000 0.413 218 K N 0.110 120.547 120.400 0.062 0.000 2.002 218 K HA -0.233 4.092 4.320 0.007 0.000 0.209 218 K C 2.258 178.917 176.600 0.097 0.000 1.048 218 K CA 1.809 58.127 56.287 0.051 0.000 0.930 218 K CB -0.376 32.135 32.500 0.018 0.000 0.714 218 K HN 0.213 nan 8.250 nan 0.000 0.438 219 Y N 1.196 121.517 120.300 0.035 0.000 2.089 219 Y HA -0.262 4.289 4.550 0.001 0.000 0.282 219 Y C 2.211 178.187 175.900 0.128 0.000 1.139 219 Y CA 1.728 59.885 58.100 0.095 0.000 1.123 219 Y CB -0.478 38.087 38.460 0.175 0.000 0.980 219 Y HN 0.065 nan 8.280 nan 0.000 0.493 220 A N -0.832 122.172 122.820 0.306 0.000 1.940 220 A HA -0.198 4.126 4.320 0.007 0.000 0.219 220 A C 2.172 179.824 177.584 0.114 0.000 1.176 220 A CA 2.342 54.522 52.037 0.240 0.000 0.631 220 A CB -1.299 17.933 19.000 0.386 0.000 0.814 220 A HN 0.556 nan 8.150 nan 0.000 0.446 221 T N -0.278 114.330 114.554 0.091 0.000 2.857 221 T HA -0.079 4.275 4.350 0.007 0.000 0.266 221 T C 1.126 175.824 174.700 -0.003 0.000 1.048 221 T CA 0.956 63.090 62.100 0.055 0.000 1.139 221 T CB -0.420 68.476 68.868 0.047 0.000 0.874 221 T HN 0.636 nan 8.240 nan 0.000 0.455 222 N N 1.655 120.327 118.700 -0.047 0.000 2.696 222 N HA -0.273 4.471 4.740 0.007 0.000 0.254 222 N C -0.585 174.888 175.510 -0.061 0.000 0.988 222 N CA 0.492 53.487 53.050 -0.092 0.000 0.775 222 N CB -1.311 37.073 38.487 -0.173 0.000 0.933 222 N HN 0.505 nan 8.380 nan 0.000 0.539 223 R N -2.232 118.246 120.500 -0.037 0.000 3.267 223 R HA -0.158 4.186 4.340 0.007 0.000 0.254 223 R C 1.077 177.353 176.300 -0.040 0.000 0.993 223 R CA 0.828 56.907 56.100 -0.035 0.000 0.670 223 R CB -2.227 28.050 30.300 -0.038 0.000 1.125 223 R HN 0.851 nan 8.270 nan 0.000 0.434 224 G N 0.004 108.787 108.800 -0.029 0.000 2.155 224 G HA2 -0.367 3.598 3.960 0.007 0.000 0.257 224 G HA3 -0.367 3.598 3.960 0.007 0.000 0.257 224 G C -0.058 174.816 174.900 -0.044 0.000 0.983 224 G CA 0.440 45.522 45.100 -0.029 0.000 0.676 224 G HN 0.523 nan 8.290 nan 0.000 0.528 225 N N 0.518 119.181 118.700 -0.061 0.000 2.818 225 N HA 0.318 5.062 4.740 0.007 0.000 0.301 225 N C 0.839 176.286 175.510 -0.104 0.000 1.821 225 N CA -0.700 52.287 53.050 -0.106 0.000 0.930 225 N CB -0.163 38.261 38.487 -0.105 0.000 1.263 225 N HN 0.145 nan 8.380 nan 0.000 0.487 226 L N 1.127 122.316 121.223 -0.056 0.000 2.605 226 L HA -0.054 4.290 4.340 0.007 0.000 0.296 226 L C 0.642 177.562 176.870 0.083 0.000 1.255 226 L CA 1.201 56.075 54.840 0.057 0.000 0.879 226 L CB -0.184 42.002 42.059 0.213 0.000 1.124 226 L HN 0.361 nan 8.230 nan 0.000 0.507 227 R N 1.523 122.130 120.500 0.179 0.000 2.532 227 R HA 0.320 4.664 4.340 0.007 0.000 0.297 227 R C -0.456 176.047 176.300 0.339 0.000 0.984 227 R CA -0.631 55.612 56.100 0.239 0.000 0.884 227 R CB 1.855 32.164 30.300 0.014 0.000 1.182 227 R HN 0.567 nan 8.270 nan 0.000 0.442 228 S N 1.592 117.522 115.700 0.385 0.000 2.537 228 S HA 0.418 4.893 4.470 0.007 0.000 0.286 228 S C -0.163 174.541 174.600 0.173 0.000 1.299 228 S CA -0.156 58.167 58.200 0.205 0.000 1.067 228 S CB 1.071 64.367 63.200 0.159 0.000 0.864 228 S HN 0.705 nan 8.310 nan 0.000 0.494 229 A N 2.776 125.667 122.820 0.118 0.000 2.612 229 A HA 0.826 5.150 4.320 0.007 0.000 0.293 229 A C -1.240 176.383 177.584 0.065 0.000 1.075 229 A CA -0.706 51.352 52.037 0.034 0.000 0.680 229 A CB 1.217 20.244 19.000 0.045 0.000 1.279 229 A HN 0.821 nan 8.150 nan 0.000 0.411 230 I N 0.219 120.795 120.570 0.010 0.000 2.752 230 I HA 0.668 4.842 4.170 0.007 0.000 0.295 230 I C -1.361 174.798 176.117 0.070 0.000 1.219 230 I CA -0.191 61.212 61.300 0.171 0.000 1.030 230 I CB 2.451 40.549 38.000 0.162 0.000 1.259 230 I HN 0.593 nan 8.210 nan 0.000 0.423 231 T N 6.186 120.803 114.554 0.106 0.000 2.815 231 T HA 0.417 4.771 4.350 0.007 0.000 0.289 231 T C -0.707 173.767 174.700 -0.378 0.000 1.000 231 T CA -0.335 61.671 62.100 -0.156 0.000 0.958 231 T CB 1.401 70.168 68.868 -0.167 0.000 0.944 231 T HN 0.280 nan 8.240 nan 0.000 0.442 232 V N 5.255 124.890 119.914 -0.465 0.000 2.364 232 V HA 0.448 4.572 4.120 0.007 0.000 0.272 232 V C -0.240 175.520 176.094 -0.556 0.000 1.036 232 V CA -0.695 61.335 62.300 -0.450 0.000 0.880 232 V CB -0.267 31.247 31.823 -0.516 0.000 0.991 232 V HN 0.694 nan 8.190 nan 0.000 0.460 233 F N 5.259 125.107 119.950 -0.170 0.000 2.362 233 F HA 0.493 5.025 4.527 0.008 0.000 0.311 233 F C -1.789 173.879 175.800 -0.220 0.000 1.161 233 F CA -2.458 55.359 58.000 -0.304 0.000 1.085 233 F CB 0.171 38.970 39.000 -0.335 0.000 1.311 233 F HN 0.291 nan 8.300 nan 0.000 0.524 234 P HA -0.024 nan 4.420 nan 0.000 0.264 234 P C -0.888 176.414 177.300 0.003 0.000 1.183 234 P CA -0.001 63.016 63.100 -0.138 0.000 0.763 234 P CB 0.195 31.724 31.700 -0.286 0.000 0.807 235 Q N 3.613 123.372 119.800 -0.069 0.000 2.651 235 Q HA 0.117 4.461 4.340 0.007 0.000 0.224 235 Q C -0.354 175.522 176.000 -0.207 0.000 1.094 235 Q CA -0.236 55.323 55.803 -0.407 0.000 1.018 235 Q CB 0.439 28.666 28.738 -0.851 0.000 1.292 235 Q HN 0.331 nan 8.270 nan 0.000 0.588 236 R N 0.236 120.587 120.500 -0.249 0.000 2.288 236 R HA 0.383 4.727 4.340 0.007 0.000 0.330 236 R C -0.662 175.567 176.300 -0.119 0.000 1.069 236 R CA 0.005 56.035 56.100 -0.117 0.000 0.941 236 R CB 0.700 30.936 30.300 -0.107 0.000 0.998 236 R HN 0.605 nan 8.270 nan 0.000 0.452 237 A N 5.532 128.323 122.820 -0.048 0.000 2.306 237 A HA 0.501 4.826 4.320 0.007 0.000 0.314 237 A C -2.220 175.355 177.584 -0.014 0.000 1.164 237 A CA -1.954 50.062 52.037 -0.035 0.000 0.822 237 A CB 0.595 19.600 19.000 0.008 0.000 1.130 237 A HN 0.417 nan 8.150 nan 0.000 0.496 238 P HA 0.304 nan 4.420 nan 0.000 0.265 238 P C 1.187 178.492 177.300 0.009 0.000 1.193 238 P CA 1.802 64.900 63.100 -0.003 0.000 0.765 238 P CB 0.853 32.555 31.700 0.002 0.000 0.823 239 G N 3.026 111.832 108.800 0.009 0.000 4.039 239 G HA2 -0.343 3.621 3.960 0.007 0.000 0.220 239 G HA3 -0.343 3.621 3.960 0.007 0.000 0.220 239 G C 0.499 175.409 174.900 0.016 0.000 1.391 239 G CA 0.182 45.290 45.100 0.013 0.000 0.920 239 G HN 0.798 nan 8.290 nan 0.000 0.599 240 R N 2.694 123.207 120.500 0.022 0.000 2.504 240 R HA 0.383 4.727 4.340 0.007 0.000 0.291 240 R C 1.169 177.483 176.300 0.023 0.000 0.974 240 R CA 0.693 56.809 56.100 0.027 0.000 1.077 240 R CB -0.302 30.025 30.300 0.044 0.000 0.926 240 R HN 0.825 nan 8.270 nan 0.000 0.407 241 G N 3.077 111.883 108.800 0.011 0.000 2.750 241 G HA2 -0.029 3.935 3.960 0.007 0.000 0.250 241 G HA3 -0.029 3.935 3.960 0.007 0.000 0.250 241 G C -0.609 174.302 174.900 0.019 0.000 1.230 241 G CA -0.509 44.596 45.100 0.008 0.000 0.883 241 G HN 0.738 nan 8.290 nan 0.000 0.573 242 D N -1.036 119.382 120.400 0.031 0.000 2.340 242 D HA 0.363 5.007 4.640 0.007 0.000 0.251 242 D C -0.568 175.773 176.300 0.068 0.000 1.080 242 D CA -0.120 53.932 54.000 0.087 0.000 0.971 242 D CB 1.100 41.949 40.800 0.083 0.000 1.137 242 D HN 0.100 nan 8.370 nan 0.000 0.475 243 F N 1.274 121.250 119.950 0.043 0.000 2.404 243 F HA 0.302 4.834 4.527 0.008 0.000 0.358 243 F C 0.742 176.568 175.800 0.044 0.000 1.120 243 F CA -0.203 57.809 58.000 0.019 0.000 1.144 243 F CB 0.584 39.592 39.000 0.013 0.000 1.133 243 F HN -0.227 nan 8.300 nan 0.000 0.495 244 R N 4.542 125.152 120.500 0.184 0.000 2.686 244 R HA 0.545 4.890 4.340 0.007 0.000 0.283 244 R C -1.050 175.413 176.300 0.272 0.000 0.978 244 R CA -0.853 55.384 56.100 0.229 0.000 0.897 244 R CB 2.279 32.735 30.300 0.261 0.000 1.192 244 R HN 0.611 nan 8.270 nan 0.000 0.457 245 I N 2.325 123.045 120.570 0.249 0.000 2.328 245 I HA 0.152 4.326 4.170 0.007 0.000 0.287 245 I C 0.461 176.802 176.117 0.375 0.000 1.012 245 I CA -0.507 60.938 61.300 0.241 0.000 1.195 245 I CB 1.179 39.257 38.000 0.130 0.000 1.350 245 I HN 0.509 nan 8.210 nan 0.000 0.464 246 W N 3.469 124.824 121.300 0.091 0.000 2.374 246 W HA -0.101 4.563 4.660 0.006 0.000 0.288 246 W C 1.023 177.680 176.519 0.230 0.000 1.218 246 W CA 0.059 57.545 57.345 0.236 0.000 1.245 246 W CB -0.987 28.633 29.460 0.267 0.000 1.126 246 W HN 0.420 nan 8.180 nan 0.000 0.545 247 N N -0.054 118.829 118.700 0.305 0.000 2.415 247 N HA 0.007 4.751 4.740 0.007 0.000 0.248 247 N C 1.406 176.987 175.510 0.118 0.000 1.271 247 N CA 0.929 54.075 53.050 0.161 0.000 0.913 247 N CB 0.554 39.070 38.487 0.048 0.000 1.129 247 N HN -0.097 nan 8.380 nan 0.000 0.444 248 S N -0.051 115.700 115.700 0.086 0.000 2.425 248 S HA 0.030 4.504 4.470 0.007 0.000 0.225 248 S C 0.301 174.897 174.600 -0.008 0.000 1.024 248 S CA 0.529 58.764 58.200 0.058 0.000 0.951 248 S CB 0.111 63.362 63.200 0.085 0.000 0.796 248 S HN 0.632 nan 8.310 nan 0.000 0.498 249 Q N -0.666 119.114 119.800 -0.033 0.000 2.456 249 Q HA 0.505 4.849 4.340 0.007 0.000 0.283 249 Q C 0.272 176.185 176.000 -0.145 0.000 1.084 249 Q CA -0.586 55.155 55.803 -0.104 0.000 0.801 249 Q CB 1.987 30.685 28.738 -0.067 0.000 1.434 249 Q HN 0.104 nan 8.270 nan 0.000 0.419 250 L N 0.095 121.203 121.223 -0.191 0.000 2.017 250 L HA -0.027 4.317 4.340 0.007 0.000 0.208 250 L C 0.557 177.274 176.870 -0.255 0.000 1.073 250 L CA 1.055 55.782 54.840 -0.189 0.000 0.745 250 L CB -0.009 41.921 42.059 -0.214 0.000 0.894 250 L HN 0.310 nan 8.230 nan 0.000 0.432 251 V N 1.334 121.006 119.914 -0.403 0.000 2.347 251 V HA 0.427 4.551 4.120 0.007 0.000 0.280 251 V C -0.253 175.288 176.094 -0.920 0.000 1.021 251 V CA -0.594 61.287 62.300 -0.697 0.000 0.847 251 V CB 1.251 32.493 31.823 -0.968 0.000 0.990 251 V HN 0.210 nan 8.190 nan 0.000 0.444 252 R N 3.046 123.160 120.500 -0.644 0.000 2.584 252 R HA 0.455 4.799 4.340 0.007 0.000 0.276 252 R C -1.445 174.685 176.300 -0.284 0.000 1.046 252 R CA -0.809 55.043 56.100 -0.412 0.000 0.906 252 R CB 1.961 32.169 30.300 -0.154 0.000 1.215 252 R HN 0.553 nan 8.270 nan 0.000 0.449 253 Y N 0.573 120.859 120.300 -0.023 0.000 2.336 253 Y HA 0.409 4.963 4.550 0.007 0.000 0.331 253 Y C 1.174 177.055 175.900 -0.032 0.000 1.211 253 Y CA -0.395 57.716 58.100 0.017 0.000 1.346 253 Y CB 0.640 39.188 38.460 0.147 0.000 1.271 253 Y HN 0.635 nan 8.280 nan 0.000 0.538 254 A N 1.218 124.085 122.820 0.079 0.000 2.351 254 A HA 0.616 4.940 4.320 0.007 0.000 0.257 254 A C 0.499 177.863 177.584 -0.367 0.000 1.087 254 A CA 0.117 52.039 52.037 -0.192 0.000 0.798 254 A CB -0.125 18.708 19.000 -0.279 0.000 1.033 254 A HN 0.931 nan 8.150 nan 0.000 0.488 255 G N 0.658 109.225 108.800 -0.387 0.000 2.814 255 G HA2 0.521 4.485 3.960 0.007 0.000 0.300 255 G HA3 0.521 4.485 3.960 0.007 0.000 0.300 255 G C -1.159 173.580 174.900 -0.268 0.000 1.406 255 G CA -0.236 44.685 45.100 -0.298 0.000 1.041 255 G HN 0.476 nan 8.290 nan 0.000 0.532 256 Y N 1.437 121.751 120.300 0.024 0.000 2.452 256 Y HA 0.367 4.921 4.550 0.007 0.000 0.348 256 Y C 1.008 176.906 175.900 -0.003 0.000 0.985 256 Y CA -1.406 56.706 58.100 0.019 0.000 1.214 256 Y CB 1.062 39.528 38.460 0.010 0.000 1.136 256 Y HN 0.449 nan 8.280 nan 0.000 0.523 257 R N 3.868 124.454 120.500 0.142 0.000 2.435 257 R HA 0.028 4.372 4.340 0.007 0.000 0.325 257 R C 0.004 176.343 176.300 0.066 0.000 1.149 257 R CA 0.025 56.170 56.100 0.074 0.000 0.995 257 R CB -0.342 29.991 30.300 0.055 0.000 1.008 257 R HN 0.529 nan 8.270 nan 0.000 0.470 258 Q N 2.214 122.044 119.800 0.050 0.000 2.651 258 Q HA -0.086 4.258 4.340 0.007 0.000 0.224 258 Q C 1.028 177.035 176.000 0.012 0.000 1.094 258 Q CA 0.197 56.018 55.803 0.029 0.000 1.018 258 Q CB 0.427 29.176 28.738 0.018 0.000 1.292 258 Q HN 0.610 nan 8.270 nan 0.000 0.588 259 Q N 0.683 120.483 119.800 0.001 0.000 2.046 259 Q HA -0.178 4.166 4.340 0.007 0.000 0.200 259 Q C 1.088 177.086 176.000 -0.003 0.000 0.975 259 Q CA 2.051 57.852 55.803 -0.005 0.000 0.836 259 Q CB -0.423 28.308 28.738 -0.013 0.000 0.896 259 Q HN 0.680 nan 8.270 nan 0.000 0.428 260 D N -0.748 119.650 120.400 -0.003 0.000 2.269 260 D HA 0.059 4.703 4.640 0.007 0.000 0.208 260 D C 1.334 177.634 176.300 0.000 0.000 0.963 260 D CA 1.232 55.230 54.000 -0.003 0.000 0.864 260 D CB -0.278 40.519 40.800 -0.005 0.000 0.936 260 D HN 0.467 nan 8.370 nan 0.000 0.505 261 G N -0.495 108.307 108.800 0.003 0.000 2.624 261 G HA2 -0.196 3.769 3.960 0.007 0.000 0.190 261 G HA3 -0.196 3.769 3.960 0.007 0.000 0.190 261 G C 0.581 175.485 174.900 0.007 0.000 1.008 261 G CA 0.257 45.361 45.100 0.006 0.000 0.731 261 G HN 0.708 nan 8.290 nan 0.000 0.478 262 S N -0.580 115.122 115.700 0.003 0.000 2.632 262 S HA 0.636 5.110 4.470 0.007 0.000 0.254 262 S C 0.093 174.694 174.600 0.001 0.000 1.291 262 S CA 0.409 58.608 58.200 -0.001 0.000 0.974 262 S CB 1.639 64.835 63.200 -0.007 0.000 1.016 262 S HN 1.145 nan 8.310 nan 0.000 0.579 263 V N 0.931 120.836 119.914 -0.015 0.000 2.612 263 V HA 0.473 4.597 4.120 0.007 0.000 0.301 263 V C -0.194 175.873 176.094 -0.045 0.000 1.059 263 V CA -0.701 61.588 62.300 -0.018 0.000 0.886 263 V CB 1.622 33.420 31.823 -0.042 0.000 1.007 263 V HN 0.911 nan 8.190 nan 0.000 0.426 264 R N 3.262 123.773 120.500 0.018 0.000 2.265 264 R HA 0.677 5.021 4.340 0.007 0.000 0.314 264 R C 0.771 177.040 176.300 -0.052 0.000 1.053 264 R CA 1.112 57.221 56.100 0.014 0.000 0.931 264 R CB 0.918 31.295 30.300 0.128 0.000 1.024 264 R HN 1.180 nan 8.270 nan 0.000 0.457 265 G N 3.000 111.670 108.800 -0.216 0.000 2.594 265 G HA2 -0.229 3.735 3.960 0.007 0.000 0.217 265 G HA3 -0.229 3.735 3.960 0.007 0.000 0.217 265 G C -1.311 173.252 174.900 -0.561 0.000 1.163 265 G CA -0.005 44.905 45.100 -0.317 0.000 1.074 265 G HN 0.633 nan 8.290 nan 0.000 0.589 266 D N 1.698 121.923 120.400 -0.292 0.000 2.441 266 D HA 0.579 5.223 4.640 0.007 0.000 0.231 266 D C -1.418 174.817 176.300 -0.108 0.000 1.073 266 D CA -1.774 52.103 54.000 -0.205 0.000 0.850 266 D CB 1.870 42.840 40.800 0.284 0.000 1.062 266 D HN -0.037 nan 8.370 nan 0.000 0.524 267 P HA -0.110 nan 4.420 nan 0.000 0.219 267 P C 1.029 178.333 177.300 0.007 0.000 1.146 267 P CA 0.965 64.032 63.100 -0.055 0.000 0.808 267 P CB 0.341 32.011 31.700 -0.050 0.000 0.779 268 A N -0.110 122.732 122.820 0.036 0.000 1.933 268 A HA -0.172 4.152 4.320 0.007 0.000 0.218 268 A C 1.769 179.399 177.584 0.077 0.000 1.175 268 A CA 1.566 53.648 52.037 0.075 0.000 0.628 268 A CB -1.098 17.968 19.000 0.109 0.000 0.814 268 A HN 0.169 nan 8.150 nan 0.000 0.444 269 N N 0.031 118.769 118.700 0.064 0.000 2.313 269 N HA 0.114 4.858 4.740 0.007 0.000 0.207 269 N C 1.157 176.669 175.510 0.004 0.000 1.141 269 N CA 0.258 53.333 53.050 0.043 0.000 0.830 269 N CB 0.480 38.992 38.487 0.043 0.000 1.008 269 N HN 0.246 nan 8.380 nan 0.000 0.481 270 V N 1.160 121.077 119.914 0.005 0.000 2.295 270 V HA -0.206 3.918 4.120 0.007 0.000 0.246 270 V C 2.209 178.300 176.094 -0.005 0.000 1.049 270 V CA 1.579 63.877 62.300 -0.004 0.000 1.024 270 V CB -0.120 31.708 31.823 0.007 0.000 0.648 270 V HN 0.255 nan 8.190 nan 0.000 0.447 271 E N -0.392 119.808 120.200 -0.000 0.000 2.058 271 E HA -0.225 4.129 4.350 0.007 0.000 0.194 271 E C 2.112 178.631 176.600 -0.135 0.000 0.997 271 E CA 1.441 57.813 56.400 -0.047 0.000 0.801 271 E CB -0.404 29.304 29.700 0.014 0.000 0.746 271 E HN 0.542 nan 8.360 nan 0.000 0.450 272 I N 1.161 121.678 120.570 -0.088 0.000 2.315 272 I HA -0.190 3.984 4.170 0.007 0.000 0.248 272 I C 2.004 178.082 176.117 -0.065 0.000 1.117 272 I CA 1.374 62.607 61.300 -0.111 0.000 1.404 272 I CB -0.326 37.669 38.000 -0.008 0.000 1.071 272 I HN -0.012 nan 8.210 nan 0.000 0.419 273 T N 0.484 115.019 114.554 -0.031 0.000 2.788 273 T HA -0.211 4.143 4.350 0.007 0.000 0.268 273 T C 1.806 176.566 174.700 0.100 0.000 1.044 273 T CA 1.570 63.687 62.100 0.029 0.000 1.139 273 T CB -0.329 68.543 68.868 0.006 0.000 0.867 273 T HN 0.555 nan 8.240 nan 0.000 0.454 274 E N 1.212 121.437 120.200 0.041 0.000 2.077 274 E HA -0.129 4.225 4.350 0.007 0.000 0.193 274 E C 2.185 178.801 176.600 0.027 0.000 0.989 274 E CA 0.981 57.404 56.400 0.039 0.000 0.800 274 E CB -0.328 29.368 29.700 -0.007 0.000 0.746 274 E HN 0.458 nan 8.360 nan 0.000 0.452 275 L N 0.513 121.723 121.223 -0.022 0.000 2.083 275 L HA -0.204 4.140 4.340 0.007 0.000 0.209 275 L C 2.897 179.876 176.870 0.182 0.000 1.083 275 L CA 1.087 55.948 54.840 0.036 0.000 0.752 275 L CB -0.385 41.617 42.059 -0.094 0.000 0.899 275 L HN 0.351 nan 8.230 nan 0.000 0.433 276 C N -0.192 119.179 119.300 0.118 0.000 2.425 276 C HA -0.135 4.329 4.460 0.007 0.000 0.277 276 C C 2.725 177.874 174.990 0.264 0.000 1.280 276 C CA 0.473 59.576 59.018 0.141 0.000 1.744 276 C CB -0.572 27.170 27.740 0.003 0.000 1.989 276 C HN 0.420 nan 8.230 nan 0.000 0.491 277 I N 0.459 121.187 120.570 0.264 0.000 2.179 277 I HA -0.269 3.905 4.170 0.007 0.000 0.242 277 I C 2.640 178.798 176.117 0.067 0.000 1.088 277 I CA 1.553 62.971 61.300 0.196 0.000 1.357 277 I CB -0.552 37.540 38.000 0.154 0.000 1.051 277 I HN 0.457 nan 8.210 nan 0.000 0.409 278 Q N -0.218 119.583 119.800 0.000 0.000 2.181 278 Q HA -0.219 4.125 4.340 0.007 0.000 0.205 278 Q C 0.912 176.744 176.000 -0.280 0.000 0.980 278 Q CA 1.346 57.054 55.803 -0.158 0.000 0.862 278 Q CB -0.209 28.379 28.738 -0.251 0.000 0.905 278 Q HN 0.646 nan 8.270 nan 0.000 0.429 279 H N -1.272 117.786 119.070 -0.020 0.000 2.605 279 H HA 0.271 4.832 4.556 0.007 0.000 0.308 279 H C 0.649 175.953 175.328 -0.040 0.000 1.080 279 H CA 0.371 56.382 56.048 -0.061 0.000 1.119 279 H CB 0.392 30.076 29.762 -0.131 0.000 1.479 279 H HN 0.396 nan 8.280 nan 0.000 0.537 280 G N -0.125 108.703 108.800 0.047 0.000 2.141 280 G HA2 -0.282 3.682 3.960 0.007 0.000 0.242 280 G HA3 -0.282 3.682 3.960 0.007 0.000 0.242 280 G C -0.091 174.871 174.900 0.103 0.000 0.982 280 G CA -0.104 45.020 45.100 0.039 0.000 0.662 280 G HN 0.432 nan 8.290 nan 0.000 0.527 281 W N 1.759 123.038 121.300 -0.036 0.000 2.272 281 W HA 0.649 5.313 4.660 0.007 0.000 0.318 281 W C 0.256 176.766 176.519 -0.015 0.000 1.255 281 W CA 0.025 57.354 57.345 -0.028 0.000 1.200 281 W CB 0.965 30.421 29.460 -0.007 0.000 1.170 281 W HN 0.030 nan 8.180 nan 0.000 0.549 282 T N 9.252 123.413 114.554 -0.655 0.000 2.811 282 T HA 0.214 4.568 4.350 0.007 0.000 0.309 282 T C -2.149 171.806 174.700 -1.240 0.000 1.005 282 T CA -0.947 60.756 62.100 -0.661 0.000 0.955 282 T CB 0.386 69.027 68.868 -0.379 0.000 0.970 282 T HN 0.209 nan 8.240 nan 0.000 0.496 283 P HA 0.323 nan 4.420 nan 0.000 0.275 283 P C 0.370 177.317 177.300 -0.588 0.000 1.228 283 P CA -0.246 62.238 63.100 -1.027 0.000 0.786 283 P CB 1.175 32.623 31.700 -0.420 0.000 0.927 284 G N 1.493 110.063 108.800 -0.383 0.000 2.695 284 G HA2 0.184 4.149 3.960 0.007 0.000 0.213 284 G HA3 0.184 4.149 3.960 0.007 0.000 0.213 284 G C -0.058 174.547 174.900 -0.491 0.000 1.406 284 G CA -0.406 44.550 45.100 -0.240 0.000 1.049 284 G HN 0.687 nan 8.290 nan 0.000 0.573 285 N N -0.371 118.128 118.700 -0.335 0.000 2.605 285 N HA 0.174 4.918 4.740 0.007 0.000 0.265 285 N C -0.042 175.431 175.510 -0.062 0.000 1.625 285 N CA -0.098 52.660 53.050 -0.486 0.000 0.862 285 N CB 0.537 38.801 38.487 -0.373 0.000 1.415 285 N HN 0.635 nan 8.380 nan 0.000 0.513 286 G N -0.081 108.839 108.800 0.200 0.000 2.552 286 G HA2 0.304 4.269 3.960 0.007 0.000 0.324 286 G HA3 0.304 4.269 3.960 0.007 0.000 0.324 286 G C 0.493 175.513 174.900 0.201 0.000 1.217 286 G CA -0.340 44.873 45.100 0.188 0.000 0.989 286 G HN 0.261 nan 8.290 nan 0.000 0.490 287 R N -1.137 119.366 120.500 0.006 0.000 2.210 287 R HA 0.191 4.536 4.340 0.007 0.000 0.203 287 R C -0.119 175.863 176.300 -0.530 0.000 1.010 287 R CA 0.485 56.429 56.100 -0.259 0.000 1.008 287 R CB 0.016 30.092 30.300 -0.374 0.000 0.923 287 R HN 0.345 nan 8.270 nan 0.000 0.469 288 F N 0.921 120.835 119.950 -0.060 0.000 2.577 288 F HA 0.293 4.825 4.527 0.007 0.000 0.342 288 F C -1.124 174.591 175.800 -0.141 0.000 1.479 288 F CA -1.239 56.498 58.000 -0.439 0.000 1.110 288 F CB 0.890 39.553 39.000 -0.561 0.000 1.306 288 F HN -0.251 nan 8.300 nan 0.000 0.554 289 D N 1.530 122.073 120.400 0.238 0.000 2.396 289 D HA 0.243 4.887 4.640 0.007 0.000 0.225 289 D C 0.172 176.708 176.300 0.393 0.000 1.121 289 D CA -0.007 54.207 54.000 0.357 0.000 0.853 289 D CB 1.960 43.032 40.800 0.453 0.000 1.043 289 D HN -0.063 nan 8.370 nan 0.000 0.500 290 V N 3.294 123.422 119.914 0.355 0.000 2.617 290 V HA -0.032 4.092 4.120 0.007 0.000 0.304 290 V C 1.008 177.088 176.094 -0.022 0.000 1.040 290 V CA -0.076 62.304 62.300 0.134 0.000 1.149 290 V CB 0.147 31.997 31.823 0.044 0.000 0.914 290 V HN 0.349 nan 8.190 nan 0.000 0.487 291 L N 7.620 128.726 121.223 -0.195 0.000 2.399 291 L HA 0.439 4.784 4.340 0.007 0.000 0.266 291 L C -1.845 174.765 176.870 -0.433 0.000 1.114 291 L CA -1.544 53.025 54.840 -0.452 0.000 0.804 291 L CB 1.380 43.215 42.059 -0.373 0.000 1.146 291 L HN 0.494 nan 8.230 nan 0.000 0.451 292 P HA 0.214 nan 4.420 nan 0.000 0.284 292 P C -1.131 176.003 177.300 -0.277 0.000 1.258 292 P CA -0.696 62.148 63.100 -0.425 0.000 0.824 292 P CB 1.363 32.689 31.700 -0.625 0.000 1.038 293 L N 2.638 123.789 121.223 -0.120 0.000 2.397 293 L HA 0.196 4.540 4.340 0.007 0.000 0.271 293 L C 0.584 177.435 176.870 -0.033 0.000 1.148 293 L CA -0.079 54.739 54.840 -0.037 0.000 0.825 293 L CB -0.358 41.739 42.059 0.064 0.000 1.117 293 L HN 0.312 nan 8.230 nan 0.000 0.456 294 L N 4.876 126.074 121.223 -0.043 0.000 2.435 294 L HA 0.439 4.783 4.340 0.007 0.000 0.253 294 L C -0.593 176.175 176.870 -0.170 0.000 1.087 294 L CA 0.070 54.810 54.840 -0.166 0.000 0.950 294 L CB 0.168 42.081 42.059 -0.243 0.000 1.304 294 L HN 0.378 nan 8.230 nan 0.000 0.453 295 L N 3.055 124.246 121.223 -0.053 0.000 2.326 295 L HA 0.507 4.851 4.340 0.007 0.000 0.278 295 L C 0.084 176.867 176.870 -0.143 0.000 1.092 295 L CA -0.201 54.599 54.840 -0.067 0.000 0.810 295 L CB 1.143 43.137 42.059 -0.108 0.000 1.153 295 L HN 0.529 nan 8.230 nan 0.000 0.439 296 Q N 2.543 122.270 119.800 -0.121 0.000 2.292 296 Q HA 0.663 5.007 4.340 0.007 0.000 0.270 296 Q C -1.353 174.517 176.000 -0.216 0.000 1.024 296 Q CA -0.631 55.085 55.803 -0.145 0.000 0.768 296 Q CB 2.192 30.909 28.738 -0.034 0.000 1.250 296 Q HN 0.786 nan 8.270 nan 0.000 0.447 297 A N 4.744 127.376 122.820 -0.313 0.000 2.279 297 A HA 0.680 5.004 4.320 0.007 0.000 0.303 297 A C -2.437 174.863 177.584 -0.474 0.000 1.108 297 A CA -1.697 49.954 52.037 -0.643 0.000 0.830 297 A CB 0.207 18.933 19.000 -0.457 0.000 1.106 297 A HN 0.635 nan 8.150 nan 0.000 0.493 298 P HA -0.018 nan 4.420 nan 0.000 0.257 298 P C -0.383 176.841 177.300 -0.127 0.000 1.162 298 P CA 1.094 64.041 63.100 -0.256 0.000 0.762 298 P CB 0.099 31.688 31.700 -0.186 0.000 0.753 299 D N -0.179 120.184 120.400 -0.062 0.000 3.006 299 D HA -0.199 4.445 4.640 0.007 0.000 0.208 299 D C -0.099 176.188 176.300 -0.023 0.000 1.116 299 D CA 1.353 55.340 54.000 -0.022 0.000 0.998 299 D CB -0.668 40.124 40.800 -0.014 0.000 1.124 299 D HN 0.560 nan 8.370 nan 0.000 0.413 300 E N 0.263 120.431 120.200 -0.055 0.000 2.250 300 E HA 0.620 4.974 4.350 0.007 0.000 0.269 300 E C 0.185 176.755 176.600 -0.050 0.000 1.018 300 E CA -0.554 55.815 56.400 -0.052 0.000 0.873 300 E CB 1.227 30.880 29.700 -0.078 0.000 1.134 300 E HN 0.199 nan 8.360 nan 0.000 0.403 301 A N 2.720 125.509 122.820 -0.052 0.000 2.425 301 A HA 0.269 4.594 4.320 0.007 0.000 0.242 301 A C -2.058 175.406 177.584 -0.200 0.000 1.077 301 A CA -1.058 50.930 52.037 -0.082 0.000 0.781 301 A CB -0.318 18.655 19.000 -0.045 0.000 1.020 301 A HN 0.373 nan 8.150 nan 0.000 0.494 302 P HA 0.228 nan 4.420 nan 0.000 0.276 302 P C -0.803 176.227 177.300 -0.450 0.000 1.230 302 P CA 0.056 62.787 63.100 -0.616 0.000 0.776 302 P CB 0.853 31.698 31.700 -1.425 0.000 0.888 303 E N 1.993 122.039 120.200 -0.257 0.000 2.179 303 E HA 0.365 4.719 4.350 0.007 0.000 0.275 303 E C -0.246 176.152 176.600 -0.338 0.000 0.945 303 E CA -0.979 55.267 56.400 -0.257 0.000 0.792 303 E CB 1.421 31.029 29.700 -0.154 0.000 1.125 303 E HN 0.424 nan 8.360 nan 0.000 0.397 304 L N 3.537 124.470 121.223 -0.482 0.000 2.380 304 L HA 0.295 4.639 4.340 0.007 0.000 0.273 304 L C -0.929 175.467 176.870 -0.790 0.000 1.138 304 L CA 0.178 54.763 54.840 -0.425 0.000 0.832 304 L CB 0.207 42.113 42.059 -0.256 0.000 1.124 304 L HN 0.499 nan 8.230 nan 0.000 0.454 305 F N 2.417 122.148 119.950 -0.365 0.000 2.585 305 F HA 0.334 4.865 4.527 0.008 0.000 0.319 305 F C -0.234 175.276 175.800 -0.484 0.000 1.165 305 F CA -0.685 56.938 58.000 -0.628 0.000 0.949 305 F CB 1.823 40.184 39.000 -1.065 0.000 1.218 305 F HN -0.057 nan 8.300 nan 0.000 0.453 306 V N 5.023 124.799 119.914 -0.229 0.000 2.383 306 V HA 0.317 4.441 4.120 0.007 0.000 0.275 306 V C 0.149 176.323 176.094 0.135 0.000 1.036 306 V CA -0.708 61.570 62.300 -0.038 0.000 0.889 306 V CB 1.319 33.169 31.823 0.045 0.000 0.985 306 V HN 0.531 nan 8.190 nan 0.000 0.459 307 L N 7.596 128.931 121.223 0.187 0.000 2.410 307 L HA 0.296 4.640 4.340 0.007 0.000 0.273 307 L C -2.149 174.823 176.870 0.171 0.000 1.152 307 L CA -1.407 53.592 54.840 0.265 0.000 0.855 307 L CB 0.458 42.601 42.059 0.139 0.000 1.129 307 L HN 0.424 nan 8.230 nan 0.000 0.463 308 P HA 0.154 nan 4.420 nan 0.000 0.276 308 P C -2.036 175.309 177.300 0.075 0.000 1.235 308 P CA -1.201 61.967 63.100 0.113 0.000 0.772 308 P CB 0.554 32.315 31.700 0.101 0.000 0.871 309 P HA -0.256 nan 4.420 nan 0.000 0.218 309 P C 1.207 178.531 177.300 0.040 0.000 1.146 309 P CA 1.432 64.567 63.100 0.058 0.000 0.820 309 P CB -0.111 31.627 31.700 0.063 0.000 0.778 310 E N -1.130 119.092 120.200 0.036 0.000 2.106 310 E HA -0.153 4.201 4.350 0.007 0.000 0.192 310 E C 1.699 178.308 176.600 0.014 0.000 0.984 310 E CA 0.833 57.247 56.400 0.022 0.000 0.806 310 E CB -1.077 28.636 29.700 0.021 0.000 0.750 310 E HN 0.135 nan 8.360 nan 0.000 0.458 311 L N 1.293 122.525 121.223 0.015 0.000 2.072 311 L HA -0.011 4.333 4.340 0.007 0.000 0.205 311 L C 0.989 177.860 176.870 0.001 0.000 1.079 311 L CA 0.881 55.722 54.840 0.002 0.000 0.752 311 L CB 0.127 42.181 42.059 -0.008 0.000 0.906 311 L HN 0.012 nan 8.230 nan 0.000 0.436 312 V N 2.171 122.087 119.914 0.004 0.000 2.302 312 V HA 0.047 4.171 4.120 0.007 0.000 0.244 312 V C 0.231 176.333 176.094 0.013 0.000 1.160 312 V CA -0.603 61.693 62.300 -0.006 0.000 1.127 312 V CB -0.256 31.555 31.823 -0.020 0.000 1.253 312 V HN 0.087 nan 8.190 nan 0.000 0.496 313 L N 5.167 126.401 121.223 0.018 0.000 2.410 313 L HA 0.380 4.725 4.340 0.007 0.000 0.273 313 L C 0.203 177.091 176.870 0.029 0.000 1.152 313 L CA 0.811 55.659 54.840 0.013 0.000 0.855 313 L CB 0.306 42.367 42.059 0.005 0.000 1.129 313 L HN 0.638 nan 8.230 nan 0.000 0.463 314 E N 3.233 123.433 120.200 -0.000 0.000 2.392 314 E HA 0.618 4.972 4.350 0.007 0.000 0.269 314 E C -1.542 174.996 176.600 -0.104 0.000 0.924 314 E CA -1.051 55.347 56.400 -0.002 0.000 0.784 314 E CB 2.421 32.149 29.700 0.046 0.000 1.292 314 E HN 0.388 nan 8.360 nan 0.000 0.447 315 V N 2.216 122.036 119.914 -0.157 0.000 2.444 315 V HA 0.333 4.457 4.120 0.007 0.000 0.294 315 V C -2.513 173.513 176.094 -0.112 0.000 1.022 315 V CA -2.023 60.127 62.300 -0.250 0.000 0.850 315 V CB 1.469 32.888 31.823 -0.674 0.000 0.992 315 V HN 0.513 nan 8.190 nan 0.000 0.426 316 P HA 0.365 nan 4.420 nan 0.000 0.282 316 P C -0.599 176.717 177.300 0.027 0.000 1.262 316 P CA -0.212 62.866 63.100 -0.037 0.000 0.773 316 P CB 0.620 32.307 31.700 -0.022 0.000 0.879 317 L N 4.148 125.421 121.223 0.084 0.000 2.349 317 L HA 0.436 4.780 4.340 0.007 0.000 0.275 317 L C 1.055 178.091 176.870 0.276 0.000 1.115 317 L CA 0.074 55.030 54.840 0.194 0.000 0.820 317 L CB 0.303 42.533 42.059 0.284 0.000 1.135 317 L HN 0.475 nan 8.230 nan 0.000 0.445 318 E N 1.852 122.193 120.200 0.235 0.000 2.413 318 E HA 0.360 4.714 4.350 0.007 0.000 0.277 318 E C -1.422 175.196 176.600 0.029 0.000 0.958 318 E CA -0.960 55.583 56.400 0.237 0.000 0.779 318 E CB 2.008 31.821 29.700 0.188 0.000 1.278 318 E HN 0.491 nan 8.360 nan 0.000 0.456 319 H N 1.976 120.901 119.070 -0.241 0.000 2.463 319 H HA 0.225 4.785 4.556 0.007 0.000 0.332 319 H C -1.673 173.322 175.328 -0.555 0.000 1.127 319 H CA -2.162 53.570 56.048 -0.528 0.000 1.238 319 H CB 2.022 31.410 29.762 -0.622 0.000 1.478 319 H HN 0.438 nan 8.280 nan 0.000 0.499 320 P HA -0.084 nan 4.420 nan 0.000 0.230 320 P C 0.792 177.899 177.300 -0.322 0.000 1.158 320 P CA 1.193 63.774 63.100 -0.865 0.000 0.769 320 P CB 0.541 31.712 31.700 -0.881 0.000 0.807 321 T N -4.133 110.372 114.554 -0.082 0.000 3.250 321 T HA 0.156 4.510 4.350 0.007 0.000 0.265 321 T C 0.866 175.551 174.700 -0.024 0.000 0.973 321 T CA -0.235 61.870 62.100 0.008 0.000 1.040 321 T CB -0.619 68.281 68.868 0.052 0.000 1.167 321 T HN -0.077 nan 8.240 nan 0.000 0.471 322 L N 3.139 124.313 121.223 -0.082 0.000 2.462 322 L HA 0.332 4.676 4.340 0.007 0.000 0.283 322 L C 1.213 177.771 176.870 -0.518 0.000 1.166 322 L CA -0.165 54.347 54.840 -0.547 0.000 0.964 322 L CB 0.013 41.352 42.059 -1.200 0.000 1.294 322 L HN 0.353 nan 8.230 nan 0.000 0.449 323 E N 2.889 122.950 120.200 -0.231 0.000 2.267 323 E HA -0.209 4.145 4.350 0.007 0.000 0.197 323 E C 1.546 178.143 176.600 -0.006 0.000 0.998 323 E CA 1.414 57.772 56.400 -0.070 0.000 0.830 323 E CB 0.016 29.733 29.700 0.028 0.000 0.751 323 E HN 0.843 nan 8.360 nan 0.000 0.491 324 W N -0.306 121.053 121.300 0.098 0.000 2.678 324 W HA 0.032 4.696 4.660 0.007 0.000 0.256 324 W C 1.398 177.971 176.519 0.089 0.000 1.280 324 W CA -0.313 57.075 57.345 0.072 0.000 1.345 324 W CB -0.758 28.722 29.460 0.032 0.000 1.118 324 W HN -0.072 nan 8.180 nan 0.000 0.629 325 F N 3.021 122.723 119.950 -0.414 0.000 2.161 325 F HA -0.112 4.419 4.527 0.007 0.000 0.300 325 F C 2.676 178.495 175.800 0.032 0.000 1.089 325 F CA 2.734 60.582 58.000 -0.252 0.000 1.282 325 F CB -0.645 38.063 39.000 -0.486 0.000 1.010 325 F HN -0.076 nan 8.300 nan 0.000 0.485 326 A N 0.188 123.143 122.820 0.225 0.000 1.908 326 A HA -0.129 4.195 4.320 0.007 0.000 0.218 326 A C 2.383 180.046 177.584 0.132 0.000 1.181 326 A CA 1.736 53.883 52.037 0.184 0.000 0.627 326 A CB -1.548 17.533 19.000 0.135 0.000 0.818 326 A HN 0.438 nan 8.150 nan 0.000 0.445 327 A N -0.366 122.539 122.820 0.141 0.000 2.076 327 A HA -0.040 4.284 4.320 0.007 0.000 0.220 327 A C 2.001 179.643 177.584 0.096 0.000 1.160 327 A CA 1.360 53.471 52.037 0.124 0.000 0.653 327 A CB -0.630 18.463 19.000 0.155 0.000 0.801 327 A HN 0.512 nan 8.150 nan 0.000 0.455 328 L N -1.176 120.086 121.223 0.065 0.000 2.265 328 L HA -0.042 4.302 4.340 0.007 0.000 0.215 328 L C 1.883 178.798 176.870 0.075 0.000 1.117 328 L CA 0.689 55.539 54.840 0.016 0.000 0.782 328 L CB -0.635 41.324 42.059 -0.167 0.000 0.914 328 L HN 0.602 nan 8.230 nan 0.000 0.441 329 G N 0.545 109.398 108.800 0.089 0.000 2.179 329 G HA2 -0.296 3.668 3.960 0.007 0.000 0.257 329 G HA3 -0.296 3.668 3.960 0.007 0.000 0.257 329 G C 0.162 175.154 174.900 0.154 0.000 1.010 329 G CA 0.024 45.195 45.100 0.118 0.000 0.736 329 G HN 0.251 nan 8.290 nan 0.000 0.513 330 L N -0.009 121.284 121.223 0.117 0.000 2.418 330 L HA 0.775 5.119 4.340 0.007 0.000 0.265 330 L C 1.097 177.818 176.870 -0.248 0.000 1.143 330 L CA -0.501 54.376 54.840 0.062 0.000 0.809 330 L CB 0.925 43.093 42.059 0.182 0.000 1.124 330 L HN 0.564 nan 8.230 nan 0.000 0.456 331 R N 1.629 121.691 120.500 -0.729 0.000 2.712 331 R HA 0.437 4.782 4.340 0.007 0.000 0.272 331 R C -2.269 173.891 176.300 -0.234 0.000 1.032 331 R CA -0.954 54.870 56.100 -0.459 0.000 0.874 331 R CB 1.550 31.543 30.300 -0.511 0.000 1.256 331 R HN 0.660 nan 8.270 nan 0.000 0.468 332 W N 1.898 123.122 121.300 -0.126 0.000 3.167 332 W HA 0.363 5.026 4.660 0.006 0.000 0.324 332 W C -1.178 175.409 176.519 0.114 0.000 1.230 332 W CA -0.985 56.384 57.345 0.039 0.000 1.184 332 W CB 2.022 31.426 29.460 -0.093 0.000 1.414 332 W HN 0.677 nan 8.180 nan 0.000 0.551 333 Y N 1.179 121.352 120.300 -0.212 0.000 2.336 333 Y HA 0.516 5.070 4.550 0.006 0.000 0.331 333 Y C 0.824 176.930 175.900 0.344 0.000 1.211 333 Y CA 0.118 58.197 58.100 -0.035 0.000 1.346 333 Y CB 0.349 38.650 38.460 -0.265 0.000 1.271 333 Y HN 0.370 nan 8.280 nan 0.000 0.538 334 A N 3.137 126.179 122.820 0.370 0.000 1.968 334 A HA -0.004 4.320 4.320 0.007 0.000 0.217 334 A C 0.611 178.496 177.584 0.501 0.000 1.169 334 A CA 0.556 52.855 52.037 0.436 0.000 0.638 334 A CB -0.387 18.700 19.000 0.145 0.000 0.812 334 A HN 0.731 nan 8.150 nan 0.000 0.446 335 L N 1.743 123.212 121.223 0.410 0.000 2.262 335 L HA 0.404 4.748 4.340 0.007 0.000 0.288 335 L C -2.537 174.448 176.870 0.192 0.000 1.035 335 L CA -2.159 52.824 54.840 0.239 0.000 0.820 335 L CB 1.587 43.724 42.059 0.131 0.000 1.204 335 L HN -0.043 nan 8.230 nan 0.000 0.424 336 P HA 0.241 nan 4.420 nan 0.000 0.274 336 P C -1.207 175.990 177.300 -0.172 0.000 1.504 336 P CA -0.234 62.721 63.100 -0.241 0.000 1.011 336 P CB 1.082 32.293 31.700 -0.815 0.000 1.366 337 A N 4.783 127.513 122.820 -0.151 0.000 2.644 337 A HA 0.369 4.694 4.320 0.007 0.000 0.343 337 A C 0.094 177.451 177.584 -0.378 0.000 1.324 337 A CA -0.657 51.211 52.037 -0.281 0.000 0.846 337 A CB 0.376 19.209 19.000 -0.278 0.000 1.128 337 A HN 0.298 nan 8.150 nan 0.000 0.484 338 V N 2.654 122.197 119.914 -0.617 0.000 2.529 338 V HA 0.157 4.282 4.120 0.007 0.000 0.292 338 V C 1.220 176.923 176.094 -0.652 0.000 1.028 338 V CA 1.345 63.246 62.300 -0.665 0.000 1.074 338 V CB 0.852 32.084 31.823 -0.983 0.000 0.958 338 V HN 1.028 nan 8.190 nan 0.000 0.481 339 S N 1.622 117.138 115.700 -0.306 0.000 2.819 339 S HA 0.074 4.548 4.470 0.007 0.000 0.249 339 S C 0.731 175.316 174.600 -0.026 0.000 1.030 339 S CA 0.037 58.145 58.200 -0.153 0.000 1.052 339 S CB -0.439 62.706 63.200 -0.092 0.000 1.017 339 S HN 0.915 nan 8.310 nan 0.000 0.576 340 N N 0.293 118.981 118.700 -0.021 0.000 2.184 340 N HA 0.302 5.046 4.740 0.007 0.000 0.206 340 N C 0.201 175.765 175.510 0.090 0.000 1.151 340 N CA -0.494 52.580 53.050 0.041 0.000 0.878 340 N CB 0.066 38.572 38.487 0.031 0.000 1.014 340 N HN 0.239 nan 8.380 nan 0.000 0.512 341 M N 1.405 121.078 119.600 0.122 0.000 2.249 341 M HA 0.215 4.699 4.480 0.007 0.000 0.351 341 M C -0.666 175.789 176.300 0.258 0.000 1.180 341 M CA -0.956 54.471 55.300 0.212 0.000 1.127 341 M CB 1.811 34.569 32.600 0.264 0.000 1.546 341 M HN 0.168 nan 8.290 nan 0.000 0.461 342 L N 4.485 125.839 121.223 0.219 0.000 2.331 342 L HA 0.365 4.709 4.340 0.007 0.000 0.278 342 L C -1.046 175.965 176.870 0.234 0.000 1.106 342 L CA -0.293 54.665 54.840 0.197 0.000 0.824 342 L CB 0.717 42.841 42.059 0.109 0.000 1.142 342 L HN 0.595 nan 8.230 nan 0.000 0.443 343 L N 5.455 126.824 121.223 0.242 0.000 2.265 343 L HA 0.475 4.819 4.340 0.007 0.000 0.289 343 L C -0.475 176.450 176.870 0.092 0.000 1.033 343 L CA 0.218 55.114 54.840 0.093 0.000 0.814 343 L CB 0.863 42.975 42.059 0.088 0.000 1.203 343 L HN 0.697 nan 8.230 nan 0.000 0.423 344 E N 6.495 126.658 120.200 -0.062 0.000 2.156 344 E HA 0.430 4.784 4.350 0.007 0.000 0.279 344 E C -1.512 175.014 176.600 -0.124 0.000 0.965 344 E CA -0.420 55.943 56.400 -0.062 0.000 0.789 344 E CB 1.156 30.813 29.700 -0.071 0.000 1.098 344 E HN 0.730 nan 8.360 nan 0.000 0.397 345 I N 2.576 123.078 120.570 -0.114 0.000 2.534 345 I HA 0.223 4.397 4.170 0.007 0.000 0.286 345 I C 0.704 176.659 176.117 -0.270 0.000 1.094 345 I CA -0.682 60.442 61.300 -0.293 0.000 1.055 345 I CB 1.937 39.710 38.000 -0.379 0.000 1.225 345 I HN 0.792 nan 8.210 nan 0.000 0.435 346 G N 4.103 112.798 108.800 -0.175 0.000 2.321 346 G HA2 -0.149 3.815 3.960 0.007 0.000 0.287 346 G HA3 -0.149 3.815 3.960 0.007 0.000 0.287 346 G C 1.033 176.025 174.900 0.153 0.000 1.018 346 G CA 0.815 45.991 45.100 0.127 0.000 0.855 346 G HN 1.628 nan 8.290 nan 0.000 0.507 347 G N -2.029 106.790 108.800 0.031 0.000 2.199 347 G HA2 -0.231 3.733 3.960 0.007 0.000 0.254 347 G HA3 -0.231 3.733 3.960 0.007 0.000 0.254 347 G C 0.412 175.254 174.900 -0.097 0.000 0.982 347 G CA 0.416 45.524 45.100 0.013 0.000 0.632 347 G HN 1.311 nan 8.290 nan 0.000 0.529 348 L N 1.232 122.335 121.223 -0.200 0.000 2.276 348 L HA 0.504 4.848 4.340 0.007 0.000 0.286 348 L C 0.182 176.759 176.870 -0.489 0.000 1.061 348 L CA -0.444 54.138 54.840 -0.430 0.000 0.807 348 L CB 1.153 42.858 42.059 -0.590 0.000 1.177 348 L HN 0.195 nan 8.230 nan 0.000 0.429 349 E N 3.666 123.549 120.200 -0.528 0.000 2.156 349 E HA 0.334 4.688 4.350 0.007 0.000 0.279 349 E C -1.295 174.973 176.600 -0.554 0.000 0.965 349 E CA -0.409 55.755 56.400 -0.393 0.000 0.789 349 E CB 1.372 30.954 29.700 -0.196 0.000 1.098 349 E HN 0.304 nan 8.360 nan 0.000 0.397 350 F N 2.063 121.981 119.950 -0.053 0.000 2.318 350 F HA 0.089 4.621 4.527 0.008 0.000 0.356 350 F C 1.560 177.396 175.800 0.060 0.000 1.109 350 F CA -0.540 57.454 58.000 -0.010 0.000 1.234 350 F CB 0.748 39.728 39.000 -0.033 0.000 1.545 350 F HN 0.429 nan 8.300 nan 0.000 0.534 351 S N 0.915 116.711 115.700 0.160 0.000 2.462 351 S HA 0.015 4.490 4.470 0.007 0.000 0.243 351 S C 0.823 175.552 174.600 0.215 0.000 1.003 351 S CA 0.575 58.869 58.200 0.157 0.000 0.970 351 S CB -0.125 63.146 63.200 0.118 0.000 0.762 351 S HN 0.490 nan 8.310 nan 0.000 0.510 352 A N 0.004 122.999 122.820 0.292 0.000 2.375 352 A HA 0.842 5.166 4.320 0.007 0.000 0.295 352 A C -0.169 177.657 177.584 0.404 0.000 1.066 352 A CA -0.229 52.013 52.037 0.342 0.000 0.722 352 A CB 1.378 20.592 19.000 0.356 0.000 1.206 352 A HN 1.251 nan 8.150 nan 0.000 0.435 353 A N 3.604 126.626 122.820 0.336 0.000 3.192 353 A HA 0.531 4.855 4.320 0.007 0.000 0.225 353 A C -3.001 174.735 177.584 0.253 0.000 1.208 353 A CA -0.589 51.595 52.037 0.246 0.000 1.176 353 A CB -0.093 19.037 19.000 0.217 0.000 1.318 353 A HN 0.557 nan 8.150 nan 0.000 0.804 354 P HA 0.296 nan 4.420 nan 0.000 0.264 354 P C -0.542 176.844 177.300 0.142 0.000 1.179 354 P CA 0.825 63.935 63.100 0.018 0.000 0.763 354 P CB -0.007 31.661 31.700 -0.053 0.000 0.806 355 F N -0.367 119.547 119.950 -0.060 0.000 2.613 355 F HA 0.794 5.325 4.527 0.006 0.000 0.314 355 F C -0.633 175.087 175.800 -0.133 0.000 1.075 355 F CA -1.148 56.809 58.000 -0.072 0.000 0.945 355 F CB 1.664 40.480 39.000 -0.308 0.000 1.310 355 F HN 0.448 nan 8.300 nan 0.000 0.467 356 S N -0.004 115.788 115.700 0.153 0.000 2.565 356 S HA 0.946 5.420 4.470 0.007 0.000 0.269 356 S C -0.869 173.710 174.600 -0.036 0.000 1.153 356 S CA -0.191 58.022 58.200 0.020 0.000 0.835 356 S CB 1.400 64.647 63.200 0.078 0.000 1.122 356 S HN 1.658 nan 8.310 nan 0.000 0.462 357 G N -0.255 108.488 108.800 -0.095 0.000 3.198 357 G HA2 0.721 4.685 3.960 0.007 0.000 0.166 357 G HA3 0.721 4.685 3.960 0.007 0.000 0.166 357 G C -1.673 173.274 174.900 0.079 0.000 1.134 357 G CA -0.320 44.688 45.100 -0.153 0.000 0.941 357 G HN 1.140 nan 8.290 nan 0.000 0.639 358 W N -1.516 119.784 121.300 -0.001 0.000 2.929 358 W HA 0.831 5.494 4.660 0.006 0.000 0.345 358 W C -1.351 175.159 176.519 -0.016 0.000 1.151 358 W CA -1.829 55.522 57.345 0.010 0.000 1.111 358 W CB 0.606 30.119 29.460 0.088 0.000 1.449 358 W HN 0.385 nan 8.180 nan 0.000 0.572 359 Y N 2.173 122.649 120.300 0.293 0.000 2.326 359 Y HA 0.279 4.833 4.550 0.007 0.000 0.333 359 Y C 0.731 176.660 175.900 0.048 0.000 1.240 359 Y CA -0.833 57.314 58.100 0.078 0.000 1.365 359 Y CB 0.941 39.365 38.460 -0.060 0.000 1.289 359 Y HN 0.180 nan 8.280 nan 0.000 0.548 360 M N 2.591 122.322 119.600 0.219 0.000 2.205 360 M HA 0.136 4.620 4.480 0.007 0.000 0.344 360 M C 1.090 177.367 176.300 -0.037 0.000 1.085 360 M CA -0.317 55.033 55.300 0.083 0.000 1.001 360 M CB 1.637 34.268 32.600 0.052 0.000 1.626 360 M HN 0.920 nan 8.290 nan 0.000 0.442 361 S N 2.093 117.736 115.700 -0.096 0.000 2.400 361 S HA -0.204 4.270 4.470 0.007 0.000 0.234 361 S C 1.465 175.923 174.600 -0.237 0.000 1.049 361 S CA 2.416 60.490 58.200 -0.209 0.000 1.039 361 S CB -1.231 61.885 63.200 -0.140 0.000 0.856 361 S HN 0.874 nan 8.310 nan 0.000 0.465 362 T N -0.020 114.430 114.554 -0.174 0.000 3.035 362 T HA 0.045 4.399 4.350 0.007 0.000 0.268 362 T C 1.496 176.040 174.700 -0.260 0.000 1.109 362 T CA 1.016 62.970 62.100 -0.243 0.000 1.119 362 T CB -0.519 68.175 68.868 -0.290 0.000 0.900 362 T HN 0.634 nan 8.240 nan 0.000 0.503 363 E N 0.762 120.819 120.200 -0.239 0.000 2.150 363 E HA 0.016 4.370 4.350 0.007 0.000 0.193 363 E C 1.844 178.164 176.600 -0.467 0.000 0.985 363 E CA 1.064 57.321 56.400 -0.237 0.000 0.814 363 E CB -0.181 29.495 29.700 -0.038 0.000 0.752 363 E HN 0.597 nan 8.360 nan 0.000 0.466 364 I N 0.052 120.219 120.570 -0.672 0.000 2.726 364 I HA 0.008 4.182 4.170 0.007 0.000 0.243 364 I C 2.539 178.292 176.117 -0.606 0.000 1.082 364 I CA 0.663 61.389 61.300 -0.957 0.000 1.447 364 I CB -0.456 36.854 38.000 -1.150 0.000 1.250 364 I HN 0.062 nan 8.210 nan 0.000 0.453 365 G N 0.103 108.648 108.800 -0.425 0.000 2.479 365 G HA2 -0.160 3.804 3.960 0.007 0.000 0.220 365 G HA3 -0.160 3.804 3.960 0.007 0.000 0.220 365 G C 1.488 176.271 174.900 -0.194 0.000 1.115 365 G CA 1.634 46.584 45.100 -0.250 0.000 0.757 365 G HN 0.327 nan 8.290 nan 0.000 0.560 366 T N -0.761 113.652 114.554 -0.234 0.000 3.114 366 T HA 0.135 4.489 4.350 0.007 0.000 0.240 366 T C 2.445 177.039 174.700 -0.177 0.000 0.983 366 T CA -0.043 61.944 62.100 -0.188 0.000 1.151 366 T CB 0.195 68.935 68.868 -0.213 0.000 0.974 366 T HN 0.008 nan 8.240 nan 0.000 0.442 367 R N 2.006 122.377 120.500 -0.216 0.000 2.055 367 R HA 0.205 4.549 4.340 0.007 0.000 0.226 367 R C 2.078 178.262 176.300 -0.193 0.000 1.135 367 R CA 0.951 56.937 56.100 -0.189 0.000 0.959 367 R CB -0.970 29.218 30.300 -0.187 0.000 0.854 367 R HN 0.314 nan 8.270 nan 0.000 0.431 368 N N 0.991 119.509 118.700 -0.304 0.000 2.106 368 N HA -0.063 4.681 4.740 0.007 0.000 0.188 368 N C 2.020 177.435 175.510 -0.158 0.000 1.029 368 N CA 1.073 53.923 53.050 -0.334 0.000 0.848 368 N CB -0.222 37.675 38.487 -0.983 0.000 1.007 368 N HN 0.164 nan 8.380 nan 0.000 0.423 369 L N -0.325 120.760 121.223 -0.231 0.000 2.127 369 L HA 0.032 4.376 4.340 0.007 0.000 0.203 369 L C 1.829 178.740 176.870 0.069 0.000 1.080 369 L CA 0.627 55.451 54.840 -0.026 0.000 0.768 369 L CB -0.076 41.946 42.059 -0.061 0.000 0.924 369 L HN 0.172 nan 8.230 nan 0.000 0.444 370 C N -1.353 117.945 119.300 -0.002 0.000 2.634 370 C HA 0.106 4.570 4.460 0.007 0.000 0.268 370 C C 0.797 175.801 174.990 0.022 0.000 1.322 370 C CA -0.971 58.062 59.018 0.024 0.000 1.737 370 C CB -0.618 27.119 27.740 -0.005 0.000 1.976 370 C HN 0.329 nan 8.230 nan 0.000 0.547 371 D N 2.716 123.111 120.400 -0.008 0.000 2.488 371 D HA 0.035 4.679 4.640 0.007 0.000 0.238 371 D C -0.991 175.356 176.300 0.078 0.000 1.138 371 D CA -1.187 52.822 54.000 0.014 0.000 0.873 371 D CB 0.588 41.309 40.800 -0.131 0.000 1.183 371 D HN 0.207 nan 8.370 nan 0.000 0.458 372 P HA -0.184 nan 4.420 nan 0.000 0.216 372 P C 0.703 178.117 177.300 0.189 0.000 1.150 372 P CA 1.407 64.603 63.100 0.160 0.000 0.837 372 P CB -0.045 31.737 31.700 0.136 0.000 0.786 373 H N -2.123 116.955 119.070 0.015 0.000 2.538 373 H HA 0.352 4.912 4.556 0.007 0.000 0.286 373 H C 1.008 176.349 175.328 0.022 0.000 1.035 373 H CA -0.245 55.811 56.048 0.013 0.000 1.169 373 H CB -0.203 29.566 29.762 0.012 0.000 1.417 373 H HN -0.007 nan 8.280 nan 0.000 0.567 374 R N -0.481 119.953 120.500 -0.111 0.000 3.096 374 R HA 0.175 4.519 4.340 0.007 0.000 0.138 374 R C 1.050 177.334 176.300 -0.027 0.000 1.088 374 R CA -0.711 55.347 56.100 -0.070 0.000 0.652 374 R CB -0.778 29.497 30.300 -0.043 0.000 1.179 374 R HN 0.077 nan 8.270 nan 0.000 0.404 375 Y N 1.798 122.117 120.300 0.032 0.000 2.333 375 Y HA -0.132 4.423 4.550 0.007 0.000 0.290 375 Y C 0.850 176.777 175.900 0.045 0.000 1.144 375 Y CA 1.308 59.442 58.100 0.057 0.000 1.228 375 Y CB -0.322 38.214 38.460 0.127 0.000 0.985 375 Y HN 0.482 nan 8.280 nan 0.000 0.542 376 N N 0.573 119.362 118.700 0.148 0.000 2.699 376 N HA -0.230 4.514 4.740 0.007 0.000 0.256 376 N C 0.160 175.750 175.510 0.133 0.000 0.993 376 N CA 0.874 53.992 53.050 0.114 0.000 0.759 376 N CB -1.425 37.109 38.487 0.079 0.000 0.906 376 N HN 0.653 nan 8.380 nan 0.000 0.541 377 I N -3.360 117.309 120.570 0.164 0.000 3.810 377 I HA 0.131 4.306 4.170 0.007 0.000 0.322 377 I C 1.574 177.789 176.117 0.163 0.000 1.288 377 I CA -0.454 60.940 61.300 0.157 0.000 1.143 377 I CB -0.025 38.083 38.000 0.180 0.000 1.012 377 I HN 0.073 nan 8.210 nan 0.000 0.423 378 L N 1.439 122.768 121.223 0.177 0.000 1.989 378 L HA -0.174 4.170 4.340 0.007 0.000 0.211 378 L C 2.525 179.598 176.870 0.339 0.000 1.071 378 L CA 2.037 57.015 54.840 0.230 0.000 0.749 378 L CB -0.783 41.384 42.059 0.180 0.000 0.890 378 L HN 0.479 nan 8.230 nan 0.000 0.431 379 E N -0.958 119.438 120.200 0.327 0.000 2.077 379 E HA -0.236 4.118 4.350 0.007 0.000 0.193 379 E C 1.759 178.390 176.600 0.052 0.000 0.989 379 E CA 1.358 57.875 56.400 0.195 0.000 0.800 379 E CB 0.036 29.789 29.700 0.089 0.000 0.746 379 E HN 0.522 nan 8.360 nan 0.000 0.452 380 D N -0.057 120.377 120.400 0.057 0.000 2.104 380 D HA -0.165 4.479 4.640 0.007 0.000 0.194 380 D C 2.038 178.330 176.300 -0.012 0.000 0.994 380 D CA 1.187 55.187 54.000 0.000 0.000 0.830 380 D CB -0.295 40.515 40.800 0.017 0.000 0.959 380 D HN 0.133 nan 8.370 nan 0.000 0.452 381 V N 1.395 121.360 119.914 0.086 0.000 2.515 381 V HA -0.168 3.956 4.120 0.007 0.000 0.250 381 V C 2.512 178.690 176.094 0.139 0.000 1.058 381 V CA 1.485 63.886 62.300 0.169 0.000 1.064 381 V CB -0.712 31.305 31.823 0.323 0.000 0.675 381 V HN 0.168 nan 8.190 nan 0.000 0.461 382 A N 0.067 122.974 122.820 0.145 0.000 1.877 382 A HA -0.155 4.169 4.320 0.007 0.000 0.216 382 A C 2.397 179.952 177.584 -0.047 0.000 1.186 382 A CA 2.024 54.137 52.037 0.127 0.000 0.620 382 A CB -0.722 18.403 19.000 0.208 0.000 0.822 382 A HN 0.321 nan 8.150 nan 0.000 0.443 383 V N -0.718 119.118 119.914 -0.130 0.000 2.392 383 V HA -0.336 3.788 4.120 0.007 0.000 0.249 383 V C 2.584 178.525 176.094 -0.256 0.000 1.059 383 V CA 2.093 64.278 62.300 -0.192 0.000 1.051 383 V CB -1.036 30.675 31.823 -0.186 0.000 0.658 383 V HN 0.721 nan 8.190 nan 0.000 0.455 384 C N -0.645 118.435 119.300 -0.366 0.000 2.446 384 C HA -0.029 4.435 4.460 0.007 0.000 0.279 384 C C 2.593 177.213 174.990 -0.617 0.000 1.366 384 C CA 0.679 59.246 59.018 -0.752 0.000 1.763 384 C CB -0.929 25.965 27.740 -1.411 0.000 1.929 384 C HN 0.530 nan 8.230 nan 0.000 0.509 385 M N -0.034 119.443 119.600 -0.205 0.000 2.595 385 M HA 0.045 4.529 4.480 0.007 0.000 0.248 385 M C 0.408 176.702 176.300 -0.011 0.000 1.119 385 M CA 0.928 56.255 55.300 0.045 0.000 1.079 385 M CB -0.353 32.359 32.600 0.186 0.000 1.472 385 M HN 0.244 nan 8.290 nan 0.000 0.501 386 D N 1.471 121.817 120.400 -0.091 0.000 2.737 386 D HA -0.131 4.513 4.640 0.007 0.000 0.243 386 D C -1.182 175.091 176.300 -0.045 0.000 1.109 386 D CA 0.366 54.316 54.000 -0.083 0.000 0.702 386 D CB -0.898 39.861 40.800 -0.068 0.000 1.068 386 D HN 0.286 nan 8.370 nan 0.000 0.432 387 L N 0.286 121.483 121.223 -0.044 0.000 2.322 387 L HA 0.404 4.748 4.340 0.007 0.000 0.279 387 L C 0.739 177.545 176.870 -0.108 0.000 1.036 387 L CA -1.045 53.789 54.840 -0.010 0.000 0.807 387 L CB 1.202 43.322 42.059 0.101 0.000 1.226 387 L HN 0.028 nan 8.230 nan 0.000 0.433 388 D N 1.437 121.798 120.400 -0.066 0.000 2.385 388 D HA -0.041 4.603 4.640 0.007 0.000 0.260 388 D C 1.177 177.309 176.300 -0.279 0.000 1.326 388 D CA -0.029 53.899 54.000 -0.120 0.000 1.023 388 D CB 0.642 41.426 40.800 -0.027 0.000 1.083 388 D HN 0.622 nan 8.370 nan 0.000 0.517 389 T N 0.643 114.842 114.554 -0.591 0.000 3.252 389 T HA 0.095 4.449 4.350 0.007 0.000 0.250 389 T C 1.501 175.880 174.700 -0.535 0.000 1.123 389 T CA 0.039 61.384 62.100 -1.258 0.000 1.006 389 T CB 0.022 67.960 68.868 -1.549 0.000 0.992 389 T HN 0.258 nan 8.240 nan 0.000 0.547 390 R N 0.375 120.736 120.500 -0.231 0.000 2.100 390 R HA 0.148 4.493 4.340 0.007 0.000 0.220 390 R C 1.126 177.450 176.300 0.041 0.000 1.091 390 R CA 0.717 56.771 56.100 -0.076 0.000 0.986 390 R CB -0.062 30.201 30.300 -0.063 0.000 0.888 390 R HN 0.324 nan 8.270 nan 0.000 0.444 391 T N -0.388 114.220 114.554 0.090 0.000 2.855 391 T HA 0.117 4.471 4.350 0.007 0.000 0.281 391 T C 1.308 176.165 174.700 0.262 0.000 1.007 391 T CA -0.534 61.653 62.100 0.146 0.000 1.009 391 T CB 1.768 70.691 68.868 0.093 0.000 0.983 391 T HN 0.304 nan 8.240 nan 0.000 0.455 392 T N 1.249 115.916 114.554 0.188 0.000 2.746 392 T HA -0.131 4.223 4.350 0.007 0.000 0.267 392 T C 2.149 176.898 174.700 0.082 0.000 1.039 392 T CA 1.638 63.815 62.100 0.129 0.000 1.142 392 T CB -0.874 68.028 68.868 0.057 0.000 0.866 392 T HN 0.684 nan 8.240 nan 0.000 0.444 393 S N 2.240 117.986 115.700 0.077 0.000 2.528 393 S HA -0.102 4.372 4.470 0.007 0.000 0.244 393 S C 2.116 176.758 174.600 0.071 0.000 0.982 393 S CA 1.000 59.233 58.200 0.055 0.000 0.953 393 S CB -0.999 62.228 63.200 0.045 0.000 0.754 393 S HN 0.808 nan 8.310 nan 0.000 0.529 394 S N 1.617 117.393 115.700 0.127 0.000 2.496 394 S HA 0.231 4.705 4.470 0.007 0.000 0.224 394 S C 0.934 175.612 174.600 0.130 0.000 0.996 394 S CA 0.210 58.498 58.200 0.146 0.000 0.927 394 S CB -0.930 62.399 63.200 0.215 0.000 0.774 394 S HN 0.623 nan 8.310 nan 0.000 0.524 395 L N 1.161 122.426 121.223 0.071 0.000 3.634 395 L HA -0.161 4.183 4.340 0.007 0.000 0.423 395 L C 1.501 178.377 176.870 0.010 0.000 1.253 395 L CA 0.610 55.433 54.840 -0.029 0.000 0.885 395 L CB -2.378 39.675 42.059 -0.010 0.000 1.789 395 L HN 0.738 nan 8.230 nan 0.000 0.904 396 W N -0.224 121.085 121.300 0.015 0.000 2.402 396 W HA -0.085 4.579 4.660 0.007 0.000 0.286 396 W C 1.692 178.226 176.519 0.026 0.000 1.221 396 W CA 1.131 58.488 57.345 0.021 0.000 1.257 396 W CB -0.617 28.852 29.460 0.015 0.000 1.120 396 W HN 0.266 nan 8.180 nan 0.000 0.551 397 K N 1.011 120.964 120.400 -0.745 0.000 2.097 397 K HA -0.156 4.168 4.320 0.007 0.000 0.206 397 K C 1.476 177.928 176.600 -0.246 0.000 1.049 397 K CA 2.290 58.170 56.287 -0.677 0.000 0.933 397 K CB -0.260 31.701 32.500 -0.899 0.000 0.717 397 K HN 0.038 nan 8.250 nan 0.000 0.442 398 D N 0.506 120.789 120.400 -0.196 0.000 2.149 398 D HA -0.094 4.551 4.640 0.007 0.000 0.201 398 D C 1.629 177.918 176.300 -0.018 0.000 0.972 398 D CA 1.082 55.024 54.000 -0.095 0.000 0.835 398 D CB 0.079 40.830 40.800 -0.081 0.000 0.966 398 D HN 0.105 nan 8.370 nan 0.000 0.476 399 K N 0.548 120.966 120.400 0.030 0.000 2.057 399 K HA 0.030 4.354 4.320 0.007 0.000 0.206 399 K C 2.163 178.827 176.600 0.107 0.000 1.050 399 K CA 1.033 57.367 56.287 0.079 0.000 0.935 399 K CB -0.101 32.467 32.500 0.114 0.000 0.715 399 K HN 0.075 nan 8.250 nan 0.000 0.439 400 A N 1.792 124.697 122.820 0.143 0.000 1.855 400 A HA -0.106 4.218 4.320 0.007 0.000 0.215 400 A C 2.442 180.109 177.584 0.139 0.000 1.191 400 A CA 1.851 54.001 52.037 0.188 0.000 0.613 400 A CB -0.863 18.288 19.000 0.253 0.000 0.829 400 A HN 0.312 nan 8.150 nan 0.000 0.442 401 A N -0.596 122.267 122.820 0.071 0.000 1.948 401 A HA -0.079 4.245 4.320 0.007 0.000 0.220 401 A C 2.241 179.831 177.584 0.012 0.000 1.177 401 A CA 2.020 54.071 52.037 0.023 0.000 0.636 401 A CB -1.016 17.959 19.000 -0.042 0.000 0.815 401 A HN 0.429 nan 8.150 nan 0.000 0.449 402 V N 0.259 120.185 119.914 0.021 0.000 2.343 402 V HA -0.206 3.918 4.120 0.007 0.000 0.247 402 V C 2.527 178.647 176.094 0.043 0.000 1.051 402 V CA 2.112 64.426 62.300 0.024 0.000 1.036 402 V CB -0.667 31.180 31.823 0.039 0.000 0.654 402 V HN 0.552 nan 8.190 nan 0.000 0.451 403 E N -0.103 120.147 120.200 0.082 0.000 2.150 403 E HA -0.116 4.238 4.350 0.007 0.000 0.193 403 E C 2.153 178.780 176.600 0.045 0.000 0.985 403 E CA 1.136 57.610 56.400 0.123 0.000 0.814 403 E CB -0.211 29.541 29.700 0.087 0.000 0.752 403 E HN 0.578 nan 8.360 nan 0.000 0.466 404 I N 1.550 122.163 120.570 0.072 0.000 2.252 404 I HA -0.233 3.941 4.170 0.007 0.000 0.245 404 I C 2.168 178.247 176.117 -0.063 0.000 1.102 404 I CA 0.785 62.123 61.300 0.062 0.000 1.385 404 I CB -0.342 37.769 38.000 0.186 0.000 1.064 404 I HN 0.066 nan 8.210 nan 0.000 0.414 405 N N 0.816 119.481 118.700 -0.059 0.000 2.166 405 N HA -0.170 4.574 4.740 0.007 0.000 0.186 405 N C 1.892 177.339 175.510 -0.106 0.000 1.019 405 N CA 1.144 54.136 53.050 -0.095 0.000 0.856 405 N CB -0.102 38.337 38.487 -0.080 0.000 0.993 405 N HN 0.201 nan 8.380 nan 0.000 0.426 406 L N 1.414 122.574 121.223 -0.106 0.000 2.141 406 L HA 0.012 4.356 4.340 0.007 0.000 0.209 406 L C 2.182 178.903 176.870 -0.249 0.000 1.094 406 L CA 1.201 55.946 54.840 -0.158 0.000 0.763 406 L CB -0.753 41.205 42.059 -0.169 0.000 0.908 406 L HN 0.023 nan 8.230 nan 0.000 0.437 407 A N -1.173 121.453 122.820 -0.324 0.000 1.873 407 A HA -0.113 4.211 4.320 0.007 0.000 0.215 407 A C 2.247 179.753 177.584 -0.129 0.000 1.186 407 A CA 1.823 53.623 52.037 -0.394 0.000 0.616 407 A CB -1.029 17.448 19.000 -0.872 0.000 0.823 407 A HN 0.258 nan 8.150 nan 0.000 0.442 408 V N 0.265 120.112 119.914 -0.110 0.000 2.287 408 V HA -0.292 3.832 4.120 0.007 0.000 0.248 408 V C 2.593 178.664 176.094 -0.038 0.000 1.053 408 V CA 2.067 64.332 62.300 -0.058 0.000 1.027 408 V CB -0.866 30.835 31.823 -0.204 0.000 0.646 408 V HN 0.563 nan 8.190 nan 0.000 0.447 409 L N -0.547 120.626 121.223 -0.084 0.000 1.970 409 L HA -0.265 4.080 4.340 0.007 0.000 0.212 409 L C 2.643 179.533 176.870 0.033 0.000 1.071 409 L CA 2.437 57.248 54.840 -0.049 0.000 0.751 409 L CB -0.905 41.121 42.059 -0.054 0.000 0.889 409 L HN 0.489 nan 8.230 nan 0.000 0.432 410 H N -0.273 118.745 119.070 -0.086 0.000 2.289 410 H HA -0.183 4.378 4.556 0.008 0.000 0.296 410 H C 2.345 177.664 175.328 -0.015 0.000 1.091 410 H CA 2.167 58.163 56.048 -0.086 0.000 1.274 410 H CB -0.091 29.556 29.762 -0.193 0.000 1.364 410 H HN 0.190 nan 8.280 nan 0.000 0.490 411 S N -0.142 115.536 115.700 -0.037 0.000 2.351 411 S HA -0.163 4.311 4.470 0.007 0.000 0.220 411 S C 1.947 176.544 174.600 -0.005 0.000 1.035 411 S CA 1.455 59.629 58.200 -0.043 0.000 1.031 411 S CB -0.625 62.651 63.200 0.128 0.000 0.928 411 S HN 0.364 nan 8.310 nan 0.000 0.433 412 F N 2.128 122.022 119.950 -0.093 0.000 2.202 412 F HA -0.132 4.399 4.527 0.006 0.000 0.301 412 F C 2.609 178.356 175.800 -0.088 0.000 1.082 412 F CA 0.956 58.922 58.000 -0.057 0.000 1.313 412 F CB -0.721 38.273 39.000 -0.011 0.000 1.024 412 F HN 0.281 nan 8.300 nan 0.000 0.495 413 Q N -0.653 119.180 119.800 0.055 0.000 2.046 413 Q HA -0.179 4.165 4.340 0.007 0.000 0.200 413 Q C 2.276 178.216 176.000 -0.100 0.000 0.975 413 Q CA 1.296 57.081 55.803 -0.030 0.000 0.836 413 Q CB -0.546 28.160 28.738 -0.054 0.000 0.896 413 Q HN 0.352 nan 8.270 nan 0.000 0.428 414 L N 0.598 121.702 121.223 -0.199 0.000 2.046 414 L HA -0.088 4.256 4.340 0.007 0.000 0.208 414 L C 1.928 178.714 176.870 -0.140 0.000 1.077 414 L CA 1.806 56.520 54.840 -0.211 0.000 0.747 414 L CB -0.439 41.412 42.059 -0.346 0.000 0.896 414 L HN 0.122 nan 8.230 nan 0.000 0.432 415 A N -1.447 121.287 122.820 -0.143 0.000 2.259 415 A HA 0.028 4.352 4.320 0.007 0.000 0.208 415 A C 0.763 178.280 177.584 -0.111 0.000 1.201 415 A CA 0.026 51.980 52.037 -0.137 0.000 0.824 415 A CB -0.391 18.488 19.000 -0.202 0.000 0.838 415 A HN 0.376 nan 8.150 nan 0.000 0.485 416 K N -1.115 119.234 120.400 -0.085 0.000 3.035 416 K HA -0.143 4.181 4.320 0.007 0.000 0.262 416 K C -0.332 176.235 176.600 -0.055 0.000 1.024 416 K CA 0.873 57.122 56.287 -0.063 0.000 0.748 416 K CB -2.808 29.655 32.500 -0.062 0.000 1.247 416 K HN 0.341 nan 8.250 nan 0.000 0.482 417 V N 0.676 120.567 119.914 -0.038 0.000 2.532 417 V HA 0.253 4.377 4.120 0.007 0.000 0.295 417 V C 0.937 177.107 176.094 0.126 0.000 1.041 417 V CA -0.735 61.569 62.300 0.008 0.000 0.926 417 V CB 2.027 33.786 31.823 -0.107 0.000 0.992 417 V HN 0.229 nan 8.190 nan 0.000 0.457 418 T N 5.752 120.355 114.554 0.082 0.000 2.870 418 T HA 0.583 4.937 4.350 0.007 0.000 0.300 418 T C -0.286 174.513 174.700 0.165 0.000 0.989 418 T CA 0.413 62.499 62.100 -0.025 0.000 1.139 418 T CB 0.312 68.973 68.868 -0.345 0.000 0.920 418 T HN 0.559 nan 8.240 nan 0.000 0.537 419 I N 2.115 122.737 120.570 0.088 0.000 2.882 419 I HA 0.593 4.767 4.170 0.007 0.000 0.298 419 I C -1.701 174.499 176.117 0.138 0.000 1.462 419 I CA -0.956 60.438 61.300 0.157 0.000 1.000 419 I CB 2.026 40.010 38.000 -0.026 0.000 1.340 419 I HN 0.434 nan 8.210 nan 0.000 0.462 420 V N 4.947 124.981 119.914 0.200 0.000 2.638 420 V HA 0.434 4.558 4.120 0.007 0.000 0.306 420 V C -1.171 174.964 176.094 0.068 0.000 1.052 420 V CA -0.341 62.055 62.300 0.160 0.000 0.885 420 V CB 2.193 34.187 31.823 0.284 0.000 0.999 420 V HN 0.864 nan 8.190 nan 0.000 0.424 421 D N 4.239 124.643 120.400 0.006 0.000 2.360 421 D HA 0.129 4.773 4.640 0.007 0.000 0.242 421 D C 1.341 177.579 176.300 -0.104 0.000 1.184 421 D CA 0.284 54.237 54.000 -0.078 0.000 0.930 421 D CB 0.437 41.134 40.800 -0.171 0.000 1.161 421 D HN 0.748 nan 8.370 nan 0.000 0.447 422 H N 0.030 118.996 119.070 -0.173 0.000 2.489 422 H HA -0.148 4.412 4.556 0.007 0.000 0.293 422 H C 0.784 176.055 175.328 -0.095 0.000 1.066 422 H CA 1.244 57.194 56.048 -0.165 0.000 1.305 422 H CB -0.419 29.209 29.762 -0.224 0.000 1.386 422 H HN 0.499 nan 8.280 nan 0.000 0.551 423 H N 1.458 120.323 119.070 -0.342 0.000 2.276 423 H HA 0.178 4.738 4.556 0.007 0.000 0.307 423 H C 2.651 177.958 175.328 -0.036 0.000 1.061 423 H CA 1.454 57.407 56.048 -0.157 0.000 1.336 423 H CB -0.688 28.957 29.762 -0.196 0.000 1.396 423 H HN 0.477 nan 8.280 nan 0.000 0.503 424 A N 1.419 124.299 122.820 0.101 0.000 1.908 424 A HA -0.158 4.166 4.320 0.007 0.000 0.218 424 A C 2.664 180.318 177.584 0.116 0.000 1.181 424 A CA 2.174 54.269 52.037 0.096 0.000 0.627 424 A CB -0.950 18.096 19.000 0.077 0.000 0.818 424 A HN 0.462 nan 8.150 nan 0.000 0.445 425 A N -1.773 121.110 122.820 0.105 0.000 1.902 425 A HA -0.097 4.227 4.320 0.007 0.000 0.217 425 A C 2.357 180.033 177.584 0.152 0.000 1.181 425 A CA 2.342 54.455 52.037 0.126 0.000 0.623 425 A CB -1.167 17.889 19.000 0.093 0.000 0.818 425 A HN 0.419 nan 8.150 nan 0.000 0.443 426 T N -0.829 113.808 114.554 0.139 0.000 2.812 426 T HA -0.057 4.297 4.350 0.007 0.000 0.264 426 T C 1.817 176.649 174.700 0.220 0.000 1.042 426 T CA 1.446 63.649 62.100 0.171 0.000 1.140 426 T CB -0.270 68.682 68.868 0.139 0.000 0.870 426 T HN 0.113 nan 8.240 nan 0.000 0.445 427 V N 2.046 122.066 119.914 0.176 0.000 2.490 427 V HA -0.123 4.001 4.120 0.007 0.000 0.250 427 V C 2.677 178.865 176.094 0.157 0.000 1.061 427 V CA 1.998 64.390 62.300 0.154 0.000 1.064 427 V CB -0.648 31.244 31.823 0.116 0.000 0.670 427 V HN 0.644 nan 8.190 nan 0.000 0.461 428 S N -0.792 115.012 115.700 0.175 0.000 2.496 428 S HA -0.074 4.400 4.470 0.007 0.000 0.224 428 S C 1.799 176.528 174.600 0.216 0.000 0.996 428 S CA 0.636 58.938 58.200 0.171 0.000 0.927 428 S CB -0.490 62.810 63.200 0.168 0.000 0.774 428 S HN 0.521 nan 8.310 nan 0.000 0.524 429 F N 1.905 121.918 119.950 0.105 0.000 2.456 429 F HA 0.296 4.827 4.527 0.006 0.000 0.298 429 F C 2.079 177.967 175.800 0.147 0.000 1.104 429 F CA 0.690 58.764 58.000 0.124 0.000 1.435 429 F CB -0.207 38.847 39.000 0.091 0.000 1.078 429 F HN 0.115 nan 8.300 nan 0.000 0.546 430 M N -0.067 119.621 119.600 0.148 0.000 2.132 430 M HA -0.150 4.334 4.480 0.007 0.000 0.263 430 M C 2.198 178.486 176.300 -0.020 0.000 1.065 430 M CA 1.405 56.739 55.300 0.058 0.000 1.122 430 M CB -0.991 31.682 32.600 0.122 0.000 1.365 430 M HN 0.045 nan 8.290 nan 0.000 0.411 431 K N -0.336 120.078 120.400 0.023 0.000 2.097 431 K HA -0.191 4.133 4.320 0.007 0.000 0.205 431 K C 1.925 178.509 176.600 -0.026 0.000 1.050 431 K CA 1.516 57.809 56.287 0.010 0.000 0.938 431 K CB -0.459 32.070 32.500 0.048 0.000 0.718 431 K HN 0.345 nan 8.250 nan 0.000 0.442 432 H N -0.108 118.876 119.070 -0.143 0.000 2.387 432 H HA 0.002 4.562 4.556 0.007 0.000 0.299 432 H C 1.639 176.796 175.328 -0.285 0.000 1.090 432 H CA 1.937 57.864 56.048 -0.202 0.000 1.332 432 H CB -0.096 29.505 29.762 -0.269 0.000 1.386 432 H HN 0.157 nan 8.280 nan 0.000 0.516 433 L N -0.143 120.798 121.223 -0.470 0.000 2.017 433 L HA -0.153 4.191 4.340 0.007 0.000 0.208 433 L C 2.312 179.016 176.870 -0.277 0.000 1.073 433 L CA 1.696 56.273 54.840 -0.438 0.000 0.745 433 L CB -0.440 41.434 42.059 -0.309 0.000 0.894 433 L HN 0.378 nan 8.230 nan 0.000 0.432 434 D N 0.002 120.295 120.400 -0.179 0.000 2.117 434 D HA -0.182 4.462 4.640 0.007 0.000 0.197 434 D C 1.842 178.066 176.300 -0.128 0.000 0.987 434 D CA 1.199 55.131 54.000 -0.113 0.000 0.829 434 D CB 0.009 40.772 40.800 -0.062 0.000 0.961 434 D HN 0.166 nan 8.370 nan 0.000 0.460 435 N N 0.574 119.180 118.700 -0.156 0.000 2.106 435 N HA -0.110 4.634 4.740 0.007 0.000 0.188 435 N C 1.579 176.977 175.510 -0.187 0.000 1.029 435 N CA 0.817 53.788 53.050 -0.131 0.000 0.848 435 N CB -0.299 38.135 38.487 -0.089 0.000 1.007 435 N HN 0.305 nan 8.380 nan 0.000 0.423 436 E N 0.496 120.492 120.200 -0.339 0.000 2.347 436 E HA -0.132 4.222 4.350 0.007 0.000 0.196 436 E C 1.692 178.164 176.600 -0.213 0.000 1.008 436 E CA 0.407 56.602 56.400 -0.342 0.000 0.852 436 E CB 0.084 29.454 29.700 -0.551 0.000 0.783 436 E HN 0.351 nan 8.360 nan 0.000 0.505 437 Q N 1.532 121.229 119.800 -0.173 0.000 1.994 437 Q HA -0.073 4.271 4.340 0.007 0.000 0.198 437 Q C 1.749 177.698 176.000 -0.085 0.000 0.976 437 Q CA 1.619 57.358 55.803 -0.108 0.000 0.828 437 Q CB 0.002 28.691 28.738 -0.081 0.000 0.894 437 Q HN 0.071 nan 8.270 nan 0.000 0.432 438 K N -0.361 119.992 120.400 -0.078 0.000 2.209 438 K HA -0.080 4.244 4.320 0.007 0.000 0.204 438 K C 1.878 178.443 176.600 -0.059 0.000 1.048 438 K CA 1.047 57.300 56.287 -0.057 0.000 0.940 438 K CB -0.128 32.345 32.500 -0.045 0.000 0.729 438 K HN 0.268 nan 8.250 nan 0.000 0.451 439 A N 1.406 124.179 122.820 -0.078 0.000 1.861 439 A HA -0.050 4.275 4.320 0.007 0.000 0.212 439 A C 1.762 179.298 177.584 -0.079 0.000 1.199 439 A CA 0.887 52.881 52.037 -0.072 0.000 0.613 439 A CB -0.009 18.943 19.000 -0.081 0.000 0.846 439 A HN 0.204 nan 8.150 nan 0.000 0.446 440 R N -1.866 118.572 120.500 -0.103 0.000 2.487 440 R HA 0.377 4.721 4.340 0.007 0.000 0.272 440 R C 0.725 176.966 176.300 -0.098 0.000 0.928 440 R CA 0.456 56.498 56.100 -0.096 0.000 1.077 440 R CB 0.520 30.756 30.300 -0.107 0.000 1.265 440 R HN 0.716 nan 8.270 nan 0.000 0.537 441 G N 0.655 109.396 108.800 -0.097 0.000 2.248 441 G HA2 0.026 3.990 3.960 0.007 0.000 0.252 441 G HA3 0.026 3.990 3.960 0.007 0.000 0.252 441 G C 0.214 175.065 174.900 -0.082 0.000 1.085 441 G CA -0.146 44.894 45.100 -0.100 0.000 0.845 441 G HN 0.761 nan 8.290 nan 0.000 0.494 442 G N -2.305 106.458 108.800 -0.062 0.000 2.369 442 G HA2 0.531 4.495 3.960 0.007 0.000 0.307 442 G HA3 0.531 4.495 3.960 0.007 0.000 0.307 442 G C -0.606 174.283 174.900 -0.018 0.000 1.327 442 G CA 0.481 45.579 45.100 -0.003 0.000 0.963 442 G HN 2.128 nan 8.290 nan 0.000 0.590 443 C N 1.789 121.111 119.300 0.037 0.000 2.924 443 C HA 0.649 5.113 4.460 0.007 0.000 0.400 443 C C -2.597 172.330 174.990 -0.105 0.000 1.032 443 C CA -0.950 58.029 59.018 -0.064 0.000 1.236 443 C CB 1.395 29.036 27.740 -0.166 0.000 1.660 443 C HN 0.734 nan 8.230 nan 0.000 0.510 444 P HA 0.361 nan 4.420 nan 0.000 0.269 444 P C -0.491 176.667 177.300 -0.238 0.000 1.252 444 P CA 0.651 63.295 63.100 -0.761 0.000 0.780 444 P CB 0.796 31.791 31.700 -1.175 0.000 0.829 445 A N 3.255 126.034 122.820 -0.069 0.000 2.374 445 A HA 0.456 4.780 4.320 0.007 0.000 0.317 445 A C -0.556 177.074 177.584 0.078 0.000 1.094 445 A CA -0.588 51.503 52.037 0.090 0.000 0.765 445 A CB 1.150 20.317 19.000 0.278 0.000 1.268 445 A HN 0.449 nan 8.150 nan 0.000 0.438 446 D N 1.874 122.311 120.400 0.061 0.000 2.473 446 D HA 0.090 4.734 4.640 0.007 0.000 0.226 446 D C 0.657 177.069 176.300 0.187 0.000 1.089 446 D CA -0.526 53.538 54.000 0.106 0.000 0.883 446 D CB 0.381 41.178 40.800 -0.005 0.000 1.029 446 D HN 0.618 nan 8.370 nan 0.000 0.517 447 W N 4.318 125.665 121.300 0.079 0.000 2.304 447 W HA -0.314 4.350 4.660 0.007 0.000 0.315 447 W C 1.997 178.570 176.519 0.090 0.000 1.233 447 W CA 2.572 59.957 57.345 0.065 0.000 1.261 447 W CB -0.035 29.441 29.460 0.027 0.000 1.150 447 W HN 0.566 nan 8.180 nan 0.000 0.494 448 A N -0.912 122.142 122.820 0.390 0.000 1.908 448 A HA -0.235 4.089 4.320 0.007 0.000 0.218 448 A C 1.608 179.243 177.584 0.086 0.000 1.181 448 A CA 1.854 54.055 52.037 0.273 0.000 0.627 448 A CB -1.522 17.696 19.000 0.363 0.000 0.818 448 A HN 0.515 nan 8.150 nan 0.000 0.445 449 W N -0.526 120.734 121.300 -0.065 0.000 2.576 449 W HA 0.105 4.769 4.660 0.007 0.000 0.270 449 W C 1.897 178.294 176.519 -0.204 0.000 1.255 449 W CA 0.105 57.389 57.345 -0.102 0.000 1.314 449 W CB -0.167 29.262 29.460 -0.051 0.000 1.101 449 W HN 0.177 nan 8.180 nan 0.000 0.595 450 I N -0.252 120.274 120.570 -0.073 0.000 2.353 450 I HA -0.080 4.094 4.170 0.007 0.000 0.248 450 I C 0.673 176.587 176.117 -0.339 0.000 1.119 450 I CA 0.767 61.889 61.300 -0.297 0.000 1.417 450 I CB -1.549 36.199 38.000 -0.420 0.000 1.078 450 I HN -0.393 nan 8.210 nan 0.000 0.421 451 V N 3.795 123.429 119.914 -0.467 0.000 2.470 451 V HA 0.121 4.245 4.120 0.007 0.000 0.276 451 V C -1.984 173.948 176.094 -0.270 0.000 1.040 451 V CA -1.256 60.782 62.300 -0.436 0.000 1.008 451 V CB 0.073 31.436 31.823 -0.767 0.000 0.990 451 V HN 0.116 nan 8.190 nan 0.000 0.477 452 P HA 0.066 nan 4.420 nan 0.000 0.265 452 P C -1.686 175.486 177.300 -0.214 0.000 1.187 452 P CA -0.912 62.074 63.100 -0.190 0.000 0.766 452 P CB 0.061 31.662 31.700 -0.166 0.000 0.820 453 P HA -0.067 nan 4.420 nan 0.000 0.231 453 P C 0.257 177.433 177.300 -0.207 0.000 1.158 453 P CA 1.291 64.266 63.100 -0.208 0.000 0.763 453 P CB -0.107 31.466 31.700 -0.212 0.000 0.805 454 I N -7.648 112.761 120.570 -0.269 0.000 3.095 454 I HA 0.447 4.621 4.170 0.007 0.000 0.310 454 I C 0.029 176.007 176.117 -0.232 0.000 1.196 454 I CA -1.309 59.840 61.300 -0.251 0.000 0.985 454 I CB 1.792 39.618 38.000 -0.289 0.000 1.250 454 I HN -0.449 nan 8.210 nan 0.000 0.446 455 S N 1.992 117.611 115.700 -0.135 0.000 3.462 455 S HA -0.209 4.265 4.470 0.007 0.000 0.370 455 S C 1.408 175.975 174.600 -0.054 0.000 1.028 455 S CA 0.899 59.075 58.200 -0.041 0.000 1.119 455 S CB -1.596 61.675 63.200 0.118 0.000 0.906 455 S HN 1.251 nan 8.310 nan 0.000 0.471 456 G N 2.009 110.719 108.800 -0.150 0.000 2.599 456 G HA2 -0.348 3.616 3.960 0.007 0.000 0.219 456 G HA3 -0.348 3.616 3.960 0.007 0.000 0.219 456 G C 1.422 176.115 174.900 -0.345 0.000 1.193 456 G CA 1.565 46.549 45.100 -0.193 0.000 0.778 456 G HN 1.223 nan 8.290 nan 0.000 0.589 457 S N -0.302 114.971 115.700 -0.712 0.000 2.562 457 S HA 0.202 4.676 4.470 0.007 0.000 0.221 457 S C 1.898 176.499 174.600 0.000 0.000 0.975 457 S CA 0.383 58.189 58.200 -0.656 0.000 0.918 457 S CB 0.065 62.756 63.200 -0.848 0.000 0.772 457 S HN 0.070 nan 8.310 nan 0.000 0.531 458 L N 1.622 122.855 121.223 0.017 0.000 2.554 458 L HA 0.302 4.647 4.340 0.007 0.000 0.226 458 L C 0.899 177.875 176.870 0.177 0.000 1.137 458 L CA 0.824 55.730 54.840 0.109 0.000 0.863 458 L CB -0.826 41.308 42.059 0.126 0.000 0.985 458 L HN 0.241 nan 8.230 nan 0.000 0.451 459 T N 1.276 115.958 114.554 0.214 0.000 2.795 459 T HA 0.234 4.588 4.350 0.007 0.000 0.282 459 T C -1.530 173.361 174.700 0.318 0.000 0.980 459 T CA -1.195 61.057 62.100 0.253 0.000 1.012 459 T CB 1.888 70.885 68.868 0.214 0.000 0.936 459 T HN -0.043 nan 8.240 nan 0.000 0.457 460 P HA -0.103 nan 4.420 nan 0.000 0.219 460 P C 1.608 179.148 177.300 0.400 0.000 1.146 460 P CA 1.024 64.361 63.100 0.395 0.000 0.808 460 P CB -0.147 31.703 31.700 0.250 0.000 0.779 461 V N -4.269 115.817 119.914 0.288 0.000 2.913 461 V HA -0.161 3.963 4.120 0.007 0.000 0.260 461 V C 2.260 178.488 176.094 0.224 0.000 1.098 461 V CA 1.008 63.450 62.300 0.236 0.000 1.121 461 V CB -2.097 29.796 31.823 0.117 0.000 0.714 461 V HN -0.136 nan 8.190 nan 0.000 0.487 462 F N 2.278 122.253 119.950 0.042 0.000 2.102 462 F HA -0.119 4.412 4.527 0.007 0.000 0.298 462 F C 2.485 178.424 175.800 0.232 0.000 1.105 462 F CA 2.205 60.244 58.000 0.065 0.000 1.239 462 F CB -0.364 38.502 39.000 -0.223 0.000 0.991 462 F HN 0.318 nan 8.300 nan 0.000 0.474 463 H N -0.803 118.546 119.070 0.465 0.000 2.553 463 H HA 0.066 4.626 4.556 0.007 0.000 0.269 463 H C 0.261 175.803 175.328 0.356 0.000 1.011 463 H CA 0.303 56.567 56.048 0.360 0.000 1.150 463 H CB -0.363 29.619 29.762 0.366 0.000 1.339 463 H HN 0.263 nan 8.280 nan 0.000 0.604 464 Q N 1.996 122.058 119.800 0.436 0.000 2.347 464 Q HA 0.164 4.509 4.340 0.007 0.000 0.262 464 Q C -0.608 175.617 176.000 0.374 0.000 0.980 464 Q CA -0.489 55.537 55.803 0.371 0.000 0.867 464 Q CB 0.877 29.809 28.738 0.324 0.000 1.242 464 Q HN 0.240 nan 8.270 nan 0.000 0.453 465 E N 3.464 123.825 120.200 0.268 0.000 2.398 465 E HA 0.260 4.614 4.350 0.007 0.000 0.263 465 E C -0.454 176.272 176.600 0.211 0.000 1.046 465 E CA 0.284 56.790 56.400 0.176 0.000 0.908 465 E CB 0.830 30.617 29.700 0.145 0.000 0.963 465 E HN 0.599 nan 8.360 nan 0.000 0.431 466 M N 1.375 121.099 119.600 0.208 0.000 2.501 466 M HA 0.354 4.838 4.480 0.007 0.000 0.293 466 M C -1.203 175.201 176.300 0.173 0.000 1.192 466 M CA -0.984 54.451 55.300 0.225 0.000 0.886 466 M CB 2.415 35.210 32.600 0.325 0.000 1.710 466 M HN 0.158 nan 8.290 nan 0.000 0.457 467 V N 1.731 121.752 119.914 0.178 0.000 2.435 467 V HA 0.430 4.554 4.120 0.007 0.000 0.290 467 V C -0.529 175.669 176.094 0.173 0.000 1.030 467 V CA -0.700 61.734 62.300 0.224 0.000 0.881 467 V CB 1.619 33.636 31.823 0.324 0.000 0.983 467 V HN 0.890 nan 8.190 nan 0.000 0.445 468 N N 3.530 122.328 118.700 0.164 0.000 2.372 468 N HA 0.656 5.400 4.740 0.007 0.000 0.285 468 N C -1.682 173.900 175.510 0.120 0.000 1.008 468 N CA -0.387 52.666 53.050 0.005 0.000 0.880 468 N CB 1.836 40.341 38.487 0.032 0.000 1.239 468 N HN 0.725 nan 8.380 nan 0.000 0.484 469 Y N 1.029 121.341 120.300 0.019 0.000 2.670 469 Y HA 0.536 5.090 4.550 0.007 0.000 0.334 469 Y C -1.182 174.713 175.900 -0.008 0.000 1.185 469 Y CA -1.174 56.931 58.100 0.008 0.000 1.053 469 Y CB 0.787 39.253 38.460 0.010 0.000 1.298 469 Y HN 0.170 nan 8.280 nan 0.000 0.459 470 I N 3.358 124.020 120.570 0.154 0.000 2.312 470 I HA 0.380 4.554 4.170 0.007 0.000 0.290 470 I C -0.880 175.296 176.117 0.097 0.000 1.008 470 I CA -0.425 60.911 61.300 0.061 0.000 1.226 470 I CB 0.893 38.914 38.000 0.036 0.000 1.371 470 I HN 0.403 nan 8.210 nan 0.000 0.468 471 L N 5.355 126.607 121.223 0.048 0.000 2.346 471 L HA 0.466 4.810 4.340 0.007 0.000 0.276 471 L C 0.084 176.953 176.870 -0.001 0.000 1.006 471 L CA -0.419 54.452 54.840 0.052 0.000 0.817 471 L CB 2.010 44.102 42.059 0.053 0.000 1.272 471 L HN 0.511 nan 8.230 nan 0.000 0.421 472 S N 3.057 118.768 115.700 0.019 0.000 2.525 472 S HA 0.591 5.065 4.470 0.007 0.000 0.290 472 S C -2.412 172.207 174.600 0.032 0.000 1.152 472 S CA -1.384 56.817 58.200 0.002 0.000 1.072 472 S CB 1.453 64.671 63.200 0.030 0.000 1.027 472 S HN 0.258 nan 8.310 nan 0.000 0.500 473 P HA 0.433 nan 4.420 nan 0.000 0.270 473 P C -1.350 175.827 177.300 -0.206 0.000 1.227 473 P CA -0.119 62.890 63.100 -0.152 0.000 0.788 473 P CB 0.547 32.100 31.700 -0.245 0.000 0.926 474 A N 0.767 123.423 122.820 -0.273 0.000 2.599 474 A HA 0.578 4.902 4.320 0.007 0.000 0.294 474 A C -1.664 175.721 177.584 -0.332 0.000 1.055 474 A CA -0.483 51.382 52.037 -0.287 0.000 0.683 474 A CB 0.497 19.411 19.000 -0.144 0.000 1.278 474 A HN 0.250 nan 8.150 nan 0.000 0.412 475 F N 2.022 121.889 119.950 -0.139 0.000 2.421 475 F HA 0.549 5.079 4.527 0.006 0.000 0.358 475 F C 1.301 176.991 175.800 -0.183 0.000 1.115 475 F CA 0.259 58.175 58.000 -0.140 0.000 1.160 475 F CB 1.026 39.904 39.000 -0.203 0.000 1.123 475 F HN 0.661 nan 8.300 nan 0.000 0.508 476 R N 1.948 122.469 120.500 0.035 0.000 2.854 476 R HA 0.576 4.920 4.340 0.007 0.000 0.271 476 R C -1.522 174.756 176.300 -0.037 0.000 0.996 476 R CA -0.970 55.073 56.100 -0.096 0.000 0.961 476 R CB 1.015 31.286 30.300 -0.049 0.000 1.182 476 R HN 0.283 nan 8.270 nan 0.000 0.479 477 Y N 0.891 121.213 120.300 0.037 0.000 2.357 477 Y HA 0.139 4.693 4.550 0.007 0.000 0.340 477 Y C 0.548 176.449 175.900 0.002 0.000 1.260 477 Y CA -0.076 58.037 58.100 0.021 0.000 1.425 477 Y CB 0.809 39.272 38.460 0.004 0.000 1.326 477 Y HN 0.631 nan 8.280 nan 0.000 0.580 478 Q N 0.746 120.644 119.800 0.163 0.000 2.511 478 Q HA 0.668 5.012 4.340 0.007 0.000 0.289 478 Q C -3.082 172.891 176.000 -0.044 0.000 1.021 478 Q CA -2.430 53.398 55.803 0.042 0.000 0.785 478 Q CB 1.789 30.542 28.738 0.025 0.000 1.472 478 Q HN 0.265 nan 8.270 nan 0.000 0.411 479 P HA 0.112 nan 4.420 nan 0.000 0.272 479 P C -0.962 176.121 177.300 -0.362 0.000 1.230 479 P CA -0.205 62.770 63.100 -0.208 0.000 0.788 479 P CB 0.411 32.001 31.700 -0.184 0.000 0.949 480 D N 1.812 121.862 120.400 -0.584 0.000 2.382 480 D HA 0.036 4.681 4.640 0.007 0.000 0.245 480 D C -1.336 174.282 176.300 -1.136 0.000 1.120 480 D CA -1.019 52.316 54.000 -1.108 0.000 0.890 480 D CB 0.486 40.240 40.800 -1.744 0.000 1.201 480 D HN 0.181 nan 8.370 nan 0.000 0.433 481 P HA -0.119 nan 4.420 nan 0.000 0.216 481 P C 0.294 177.202 177.300 -0.653 0.000 1.153 481 P CA 1.061 63.661 63.100 -0.834 0.000 0.858 481 P CB 0.073 31.103 31.700 -1.117 0.000 0.789 482 W N 0.000 120.841 121.300 -0.765 0.000 2.388 482 W HA 0.000 4.664 4.660 0.006 0.000 0.303 482 W CA 0.000 57.116 57.345 -0.382 0.000 1.226 482 W CB 0.000 29.265 29.460 -0.324 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535