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 3e92_1_A DATA FIRST_RESID 3 DATA SEQUENCE QERPTFYRQE LNKTIWEVPE RYQNLSPVGS GAYGSVCAAF DTKTGLRVAV DATA SEQUENCE KKLSRPFQSI IHAKRTYREL RLLKHMKHEN VIGLLDVFTP ARSLEEFNDV DATA SEQUENCE YLVTHLMGAD LNNIVKCQKL TDDHVQFLIY QILRGLKYIH SADIIHRDLK DATA SEQUENCE PSNLAVNEDX ELKILDFGLA XHTDDEMTGY VATRWYRAPE IMLNWMHYNQ DATA SEQUENCE TVDIWSVGCI MAELLTGRTL FPGTDHIDQL KLILRLVGTP GAELLKKISS DATA SEQUENCE ESARNYIQSL TQMPKMNFAN VFIGANPLAV DLLEKMLVLD SDKRITAAQA DATA SEQUENCE LAHAYFAQYH DPDDEPVADP YDQSFESRDL LIDEWKSLTY DEVISFVPPP 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.016 176.000 0.027 0.000 1.003 3 Q CA 0.000 55.812 55.803 0.014 0.000 1.022 3 Q CB 0.000 28.741 28.738 0.004 0.000 1.108 4 E N 1.677 121.891 120.200 0.023 0.000 2.408 4 E HA 0.085 4.434 4.350 -0.002 0.000 0.259 4 E C -0.533 176.100 176.600 0.055 0.000 1.110 4 E CA -0.117 56.304 56.400 0.034 0.000 0.929 4 E CB 0.747 30.462 29.700 0.025 0.000 0.971 4 E HN 0.228 nan 8.360 nan 0.000 0.438 5 R N 3.542 124.090 120.500 0.080 0.000 2.347 5 R HA 0.174 4.513 4.340 -0.002 0.000 0.304 5 R C -1.946 174.427 176.300 0.121 0.000 1.072 5 R CA -1.427 54.754 56.100 0.136 0.000 0.980 5 R CB 0.375 30.770 30.300 0.158 0.000 0.986 5 R HN 0.418 nan 8.270 nan 0.000 0.448 6 P HA 0.042 nan 4.420 nan 0.000 0.271 6 P C -0.738 176.602 177.300 0.068 0.000 1.244 6 P CA -0.203 62.881 63.100 -0.028 0.000 0.793 6 P CB 0.498 32.051 31.700 -0.244 0.000 0.984 7 T N 1.280 115.840 114.554 0.009 0.000 2.856 7 T HA 0.395 4.744 4.350 -0.002 0.000 0.292 7 T C -0.130 174.616 174.700 0.077 0.000 0.980 7 T CA 0.254 62.424 62.100 0.116 0.000 1.091 7 T CB -0.209 68.699 68.868 0.067 0.000 0.936 7 T HN 0.100 nan 8.240 nan 0.000 0.503 8 F N 2.576 122.545 119.950 0.031 0.000 2.458 8 F HA 0.590 5.116 4.527 -0.001 0.000 0.330 8 F C -0.021 175.858 175.800 0.132 0.000 1.082 8 F CA -1.190 56.825 58.000 0.026 0.000 0.995 8 F CB 1.158 40.138 39.000 -0.034 0.000 1.170 8 F HN 0.571 nan 8.300 nan 0.000 0.478 9 Y N -0.299 120.090 120.300 0.148 0.000 2.570 9 Y HA 0.825 5.374 4.550 -0.002 0.000 0.345 9 Y C -1.147 174.841 175.900 0.147 0.000 1.014 9 Y CA -1.879 56.291 58.100 0.117 0.000 1.063 9 Y CB 1.305 39.804 38.460 0.064 0.000 1.272 9 Y HN 0.499 nan 8.280 nan 0.000 0.477 10 R N 2.390 122.955 120.500 0.108 0.000 2.664 10 R HA 0.547 4.886 4.340 -0.002 0.000 0.286 10 R C -1.245 175.118 176.300 0.106 0.000 0.967 10 R CA -0.977 55.160 56.100 0.062 0.000 0.933 10 R CB 2.276 32.644 30.300 0.113 0.000 1.146 10 R HN 0.986 nan 8.270 nan 0.000 0.468 11 Q N 0.168 120.030 119.800 0.102 0.000 2.482 11 Q HA 0.326 4.665 4.340 -0.002 0.000 0.286 11 Q C -1.437 174.657 176.000 0.156 0.000 1.007 11 Q CA -1.000 54.879 55.803 0.127 0.000 0.801 11 Q CB 2.183 30.991 28.738 0.117 0.000 1.455 11 Q HN 0.570 nan 8.270 nan 0.000 0.398 12 E N 1.665 121.939 120.200 0.123 0.000 2.174 12 E HA 0.437 4.786 4.350 -0.002 0.000 0.282 12 E C -1.409 175.239 176.600 0.079 0.000 0.992 12 E CA -0.566 55.914 56.400 0.133 0.000 0.803 12 E CB 0.914 30.674 29.700 0.100 0.000 1.090 12 E HN 0.540 nan 8.360 nan 0.000 0.396 13 L N 4.988 126.266 121.223 0.093 0.000 2.388 13 L HA 0.326 4.665 4.340 -0.002 0.000 0.267 13 L C -0.564 176.337 176.870 0.051 0.000 0.995 13 L CA -0.397 54.415 54.840 -0.047 0.000 0.864 13 L CB 0.846 42.660 42.059 -0.409 0.000 1.216 13 L HN 0.748 nan 8.230 nan 0.000 0.430 14 N N 4.011 122.733 118.700 0.038 0.000 2.610 14 N HA -0.185 4.554 4.740 -0.002 0.000 0.271 14 N C -0.145 175.416 175.510 0.084 0.000 1.146 14 N CA 0.196 53.279 53.050 0.055 0.000 0.711 14 N CB -0.226 38.293 38.487 0.053 0.000 0.883 14 N HN 0.591 nan 8.380 nan 0.000 0.548 15 K N -3.797 116.647 120.400 0.072 0.000 3.363 15 K HA -0.221 4.098 4.320 -0.002 0.000 0.313 15 K C -0.345 176.310 176.600 0.090 0.000 1.259 15 K CA 1.749 58.077 56.287 0.068 0.000 0.942 15 K CB -2.105 30.422 32.500 0.046 0.000 1.229 15 K HN 0.606 nan 8.250 nan 0.000 0.440 16 T N 0.981 115.627 114.554 0.153 0.000 2.841 16 T HA 0.627 4.976 4.350 -0.002 0.000 0.283 16 T C 0.435 175.309 174.700 0.289 0.000 1.000 16 T CA -0.692 61.522 62.100 0.189 0.000 0.977 16 T CB 2.018 71.033 68.868 0.245 0.000 0.979 16 T HN 0.074 nan 8.240 nan 0.000 0.446 17 I N 2.907 123.595 120.570 0.197 0.000 2.291 17 I HA 0.238 4.407 4.170 -0.002 0.000 0.292 17 I C -0.763 175.521 176.117 0.279 0.000 1.064 17 I CA -0.493 60.945 61.300 0.231 0.000 1.269 17 I CB 0.519 38.599 38.000 0.133 0.000 1.418 17 I HN 0.543 nan 8.210 nan 0.000 0.485 18 W N 5.914 127.283 121.300 0.115 0.000 2.331 18 W HA 0.332 4.991 4.660 -0.001 0.000 0.306 18 W C 0.423 176.982 176.519 0.067 0.000 1.162 18 W CA -0.508 56.952 57.345 0.192 0.000 1.232 18 W CB 0.522 30.074 29.460 0.153 0.000 1.235 18 W HN 0.376 nan 8.180 nan 0.000 0.479 19 E N 3.385 123.727 120.200 0.237 0.000 2.141 19 E HA 0.462 4.811 4.350 -0.002 0.000 0.259 19 E C -1.157 175.467 176.600 0.041 0.000 0.883 19 E CA -0.516 55.948 56.400 0.106 0.000 0.744 19 E CB 0.886 30.672 29.700 0.143 0.000 1.150 19 E HN 0.345 nan 8.360 nan 0.000 0.420 20 V N 1.521 121.370 119.914 -0.109 0.000 2.962 20 V HA 0.712 4.831 4.120 -0.002 0.000 0.313 20 V C -2.799 172.918 176.094 -0.629 0.000 1.099 20 V CA -2.882 59.181 62.300 -0.394 0.000 0.971 20 V CB 1.641 33.327 31.823 -0.229 0.000 1.028 20 V HN 0.485 nan 8.190 nan 0.000 0.430 21 P HA 0.169 nan 4.420 nan 0.000 0.267 21 P C 0.615 177.765 177.300 -0.249 0.000 1.200 21 P CA 0.274 62.819 63.100 -0.926 0.000 0.772 21 P CB 0.425 31.551 31.700 -0.957 0.000 0.855 22 E N 2.569 122.698 120.200 -0.118 0.000 2.171 22 E HA -0.278 4.071 4.350 -0.002 0.000 0.197 22 E C 1.885 178.424 176.600 -0.102 0.000 0.997 22 E CA 1.039 57.441 56.400 0.004 0.000 0.810 22 E CB -0.240 29.404 29.700 -0.093 0.000 0.738 22 E HN 0.518 nan 8.360 nan 0.000 0.467 23 R N 0.746 121.070 120.500 -0.293 0.000 2.139 23 R HA -0.165 4.174 4.340 -0.002 0.000 0.243 23 R C 0.154 176.188 176.300 -0.442 0.000 1.145 23 R CA 1.070 56.907 56.100 -0.438 0.000 0.976 23 R CB -0.640 29.264 30.300 -0.659 0.000 0.866 23 R HN 0.124 nan 8.270 nan 0.000 0.449 24 Y N 2.102 122.374 120.300 -0.047 0.000 2.383 24 Y HA 0.316 4.865 4.550 -0.002 0.000 0.344 24 Y C 0.269 176.263 175.900 0.156 0.000 0.986 24 Y CA -0.625 57.488 58.100 0.021 0.000 1.175 24 Y CB 0.922 39.389 38.460 0.012 0.000 1.152 24 Y HN 0.004 nan 8.280 nan 0.000 0.511 25 Q N 2.057 122.024 119.800 0.278 0.000 2.399 25 Q HA 0.344 4.683 4.340 -0.002 0.000 0.276 25 Q C -0.245 175.902 176.000 0.245 0.000 1.098 25 Q CA -0.893 55.063 55.803 0.255 0.000 0.827 25 Q CB 1.942 30.793 28.738 0.188 0.000 1.386 25 Q HN 0.747 nan 8.270 nan 0.000 0.443 26 N N 0.268 119.077 118.700 0.182 0.000 2.758 26 N HA -0.188 4.551 4.740 -0.002 0.000 0.248 26 N C -0.822 174.741 175.510 0.088 0.000 1.076 26 N CA 0.320 53.442 53.050 0.120 0.000 0.696 26 N CB -1.449 37.101 38.487 0.105 0.000 0.979 26 N HN 0.379 nan 8.380 nan 0.000 0.550 27 L N 0.884 122.149 121.223 0.070 0.000 2.499 27 L HA 0.157 4.496 4.340 -0.002 0.000 0.273 27 L C 0.934 177.749 176.870 -0.093 0.000 1.195 27 L CA 0.691 55.507 54.840 -0.041 0.000 0.882 27 L CB 0.757 42.739 42.059 -0.130 0.000 1.133 27 L HN 0.382 nan 8.230 nan 0.000 0.483 28 S N 3.047 118.677 115.700 -0.116 0.000 2.540 28 S HA 0.758 5.227 4.470 -0.002 0.000 0.275 28 S C -2.900 171.616 174.600 -0.141 0.000 1.123 28 S CA -1.681 56.452 58.200 -0.113 0.000 0.907 28 S CB 1.946 65.118 63.200 -0.047 0.000 1.081 28 S HN 0.239 nan 8.310 nan 0.000 0.476 29 P HA 0.398 nan 4.420 nan 0.000 0.269 29 P C -0.849 176.436 177.300 -0.025 0.000 1.215 29 P CA -0.378 62.658 63.100 -0.107 0.000 0.780 29 P CB 0.662 32.317 31.700 -0.074 0.000 0.898 30 V N 1.213 121.145 119.914 0.030 0.000 3.114 30 V HA 0.686 4.805 4.120 -0.002 0.000 0.308 30 V C 0.750 176.952 176.094 0.180 0.000 1.168 30 V CA 0.559 62.917 62.300 0.097 0.000 1.015 30 V CB 1.525 33.410 31.823 0.104 0.000 1.050 30 V HN 0.780 nan 8.190 nan 0.000 0.433 31 G N 2.725 111.622 108.800 0.162 0.000 2.213 31 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.236 31 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.236 31 G C 0.474 175.289 174.900 -0.141 0.000 0.991 31 G CA 0.485 45.566 45.100 -0.031 0.000 0.629 31 G HN 1.949 nan 8.290 nan 0.000 0.517 32 S N -1.545 114.128 115.700 -0.045 0.000 3.706 32 S HA 0.105 4.574 4.470 -0.002 0.000 0.363 32 S C 2.818 177.384 174.600 -0.057 0.000 0.999 32 S CA 1.913 60.084 58.200 -0.048 0.000 1.143 32 S CB -1.543 61.622 63.200 -0.058 0.000 0.902 32 S HN 2.759 nan 8.310 nan 0.000 0.476 33 G N 0.215 108.997 108.800 -0.031 0.000 2.347 33 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.247 33 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.247 33 G C 1.173 176.042 174.900 -0.052 0.000 1.037 33 G CA 1.094 46.181 45.100 -0.021 0.000 0.622 33 G HN 1.837 nan 8.290 nan 0.000 0.521 34 A N -0.099 122.634 122.820 -0.144 0.000 1.903 34 A HA 0.019 4.338 4.320 -0.002 0.000 0.219 34 A C 2.010 179.488 177.584 -0.176 0.000 1.191 34 A CA 2.422 54.323 52.037 -0.228 0.000 0.638 34 A CB -0.634 18.122 19.000 -0.407 0.000 0.823 34 A HN 0.910 nan 8.150 nan 0.000 0.451 35 Y N -0.797 119.498 120.300 -0.010 0.000 2.561 35 Y HA 0.331 4.880 4.550 -0.002 0.000 0.291 35 Y C 1.846 177.732 175.900 -0.024 0.000 1.141 35 Y CA 0.312 58.401 58.100 -0.017 0.000 1.303 35 Y CB -0.510 37.944 38.460 -0.009 0.000 1.015 35 Y HN 0.634 nan 8.280 nan 0.000 0.547 36 G N -0.860 108.004 108.800 0.108 0.000 2.395 36 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.201 36 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.201 36 G C -0.588 174.366 174.900 0.089 0.000 1.206 36 G CA -0.288 44.846 45.100 0.057 0.000 1.210 36 G HN 0.031 nan 8.290 nan 0.000 0.557 37 S N 0.375 116.128 115.700 0.090 0.000 2.512 37 S HA 0.617 5.086 4.470 -0.002 0.000 0.291 37 S C -0.378 174.432 174.600 0.350 0.000 1.151 37 S CA -0.201 58.121 58.200 0.204 0.000 1.120 37 S CB 0.172 63.461 63.200 0.149 0.000 1.029 37 S HN 1.178 nan 8.310 nan 0.000 0.485 38 V N 4.008 124.105 119.914 0.304 0.000 2.588 38 V HA 0.532 4.651 4.120 -0.002 0.000 0.304 38 V C -0.192 175.966 176.094 0.107 0.000 1.042 38 V CA -0.865 61.595 62.300 0.267 0.000 0.877 38 V CB 1.577 33.500 31.823 0.167 0.000 0.996 38 V HN 0.766 nan 8.190 nan 0.000 0.425 39 C N 3.281 122.584 119.300 0.006 0.000 2.493 39 C HA 0.873 5.332 4.460 -0.002 0.000 0.326 39 C C 0.807 175.761 174.990 -0.059 0.000 1.200 39 C CA -0.698 58.208 59.018 -0.187 0.000 1.739 39 C CB 1.329 28.720 27.740 -0.581 0.000 2.300 39 C HN 1.036 nan 8.230 nan 0.000 0.500 40 A N 1.945 124.740 122.820 -0.042 0.000 2.340 40 A HA 0.852 5.171 4.320 -0.002 0.000 0.268 40 A C -0.015 177.586 177.584 0.027 0.000 1.100 40 A CA 0.130 52.172 52.037 0.009 0.000 0.803 40 A CB 0.403 19.420 19.000 0.028 0.000 1.043 40 A HN 1.544 nan 8.150 nan 0.000 0.488 41 A N 0.430 123.303 122.820 0.088 0.000 2.602 41 A HA 0.671 4.990 4.320 -0.002 0.000 0.290 41 A C -1.439 176.297 177.584 0.253 0.000 1.114 41 A CA -0.466 51.666 52.037 0.158 0.000 0.683 41 A CB 0.804 19.902 19.000 0.164 0.000 1.281 41 A HN 1.422 nan 8.150 nan 0.000 0.416 42 F N 1.526 121.552 119.950 0.127 0.000 2.388 42 F HA 0.500 5.026 4.527 -0.002 0.000 0.358 42 F C -0.198 175.686 175.800 0.139 0.000 1.122 42 F CA -0.983 57.083 58.000 0.109 0.000 1.056 42 F CB 1.146 40.183 39.000 0.061 0.000 1.155 42 F HN 0.525 nan 8.300 nan 0.000 0.461 43 D N 4.221 124.355 120.400 -0.443 0.000 2.453 43 D HA 0.060 4.699 4.640 -0.002 0.000 0.223 43 D C 1.369 177.162 176.300 -0.845 0.000 1.183 43 D CA 0.175 53.903 54.000 -0.453 0.000 0.933 43 D CB 0.802 41.520 40.800 -0.136 0.000 1.038 43 D HN 0.672 nan 8.370 nan 0.000 0.513 44 T N 0.810 114.936 114.554 -0.713 0.000 2.977 44 T HA -0.184 4.165 4.350 -0.002 0.000 0.271 44 T C 1.650 176.166 174.700 -0.307 0.000 1.105 44 T CA 0.918 62.731 62.100 -0.479 0.000 1.116 44 T CB 0.022 68.802 68.868 -0.148 0.000 0.878 44 T HN 0.311 nan 8.240 nan 0.000 0.509 45 K N 1.096 121.299 120.400 -0.329 0.000 2.116 45 K HA -0.026 4.293 4.320 -0.002 0.000 0.203 45 K C 2.314 178.815 176.600 -0.165 0.000 1.052 45 K CA 1.488 57.641 56.287 -0.223 0.000 0.952 45 K CB 0.010 32.363 32.500 -0.244 0.000 0.729 45 K HN 0.603 nan 8.250 nan 0.000 0.446 46 T N -4.411 110.027 114.554 -0.192 0.000 2.990 46 T HA 0.209 4.558 4.350 -0.002 0.000 0.250 46 T C 1.255 175.899 174.700 -0.093 0.000 1.041 46 T CA 0.389 62.424 62.100 -0.108 0.000 1.010 46 T CB 0.707 69.534 68.868 -0.067 0.000 1.003 46 T HN 0.273 nan 8.240 nan 0.000 0.499 47 G N 1.603 110.277 108.800 -0.210 0.000 2.155 47 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.257 47 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.257 47 G C -0.094 174.822 174.900 0.027 0.000 0.983 47 G CA 0.390 45.443 45.100 -0.079 0.000 0.676 47 G HN 0.644 nan 8.290 nan 0.000 0.528 48 L N 0.009 121.186 121.223 -0.076 0.000 2.334 48 L HA 0.519 4.858 4.340 -0.002 0.000 0.277 48 L C 1.241 178.168 176.870 0.095 0.000 1.075 48 L CA -0.974 53.907 54.840 0.068 0.000 0.804 48 L CB 1.001 43.110 42.059 0.083 0.000 1.174 48 L HN 0.062 nan 8.230 nan 0.000 0.438 49 R N 1.994 122.620 120.500 0.210 0.000 2.401 49 R HA 0.374 4.713 4.340 -0.002 0.000 0.299 49 R C -0.623 175.765 176.300 0.147 0.000 1.064 49 R CA -0.243 55.987 56.100 0.217 0.000 1.000 49 R CB 0.872 31.287 30.300 0.191 0.000 0.973 49 R HN 0.511 nan 8.270 nan 0.000 0.438 50 V N -0.517 119.470 119.914 0.122 0.000 3.001 50 V HA 0.891 5.010 4.120 -0.002 0.000 0.314 50 V C -0.484 175.632 176.094 0.037 0.000 1.099 50 V CA -1.223 61.117 62.300 0.067 0.000 0.989 50 V CB 2.025 33.886 31.823 0.064 0.000 1.040 50 V HN 0.770 nan 8.190 nan 0.000 0.434 51 A N 2.099 124.916 122.820 -0.005 0.000 2.317 51 A HA 0.861 5.180 4.320 -0.002 0.000 0.327 51 A C -0.633 176.936 177.584 -0.026 0.000 1.178 51 A CA -0.656 51.365 52.037 -0.025 0.000 0.817 51 A CB 1.441 20.393 19.000 -0.079 0.000 1.189 51 A HN 1.444 nan 8.150 nan 0.000 0.489 52 V N 3.054 122.990 119.914 0.037 0.000 2.376 52 V HA 0.362 4.481 4.120 -0.002 0.000 0.287 52 V C 0.028 176.273 176.094 0.252 0.000 1.015 52 V CA -0.675 61.693 62.300 0.114 0.000 0.834 52 V CB 1.330 33.294 31.823 0.236 0.000 1.001 52 V HN 0.903 nan 8.190 nan 0.000 0.428 53 K N 4.520 124.959 120.400 0.064 0.000 2.234 53 K HA 0.422 4.741 4.320 -0.002 0.000 0.277 53 K C -0.298 176.163 176.600 -0.232 0.000 1.038 53 K CA -0.627 55.662 56.287 0.004 0.000 0.888 53 K CB 1.024 33.474 32.500 -0.085 0.000 1.091 53 K HN 0.656 nan 8.250 nan 0.000 0.467 54 K N 6.464 126.587 120.400 -0.462 0.000 2.253 54 K HA 0.204 4.523 4.320 -0.002 0.000 0.277 54 K C -0.488 175.717 176.600 -0.658 0.000 1.053 54 K CA -0.525 55.157 56.287 -1.009 0.000 0.892 54 K CB 0.586 32.020 32.500 -1.777 0.000 1.102 54 K HN 0.608 nan 8.250 nan 0.000 0.469 55 L N 3.654 124.511 121.223 -0.610 0.000 2.453 55 L HA 0.048 4.387 4.340 -0.002 0.000 0.272 55 L C 0.409 177.010 176.870 -0.447 0.000 1.182 55 L CA -0.213 54.362 54.840 -0.442 0.000 0.858 55 L CB 0.998 42.815 42.059 -0.404 0.000 1.120 55 L HN 0.724 nan 8.230 nan 0.000 0.474 56 S N 4.416 119.923 115.700 -0.321 0.000 2.422 56 S HA 0.260 4.729 4.470 -0.002 0.000 0.283 56 S C 0.327 174.743 174.600 -0.308 0.000 1.163 56 S CA -0.902 57.127 58.200 -0.285 0.000 1.054 56 S CB 0.811 63.897 63.200 -0.189 0.000 0.967 56 S HN 0.586 nan 8.310 nan 0.000 0.499 57 R N 2.077 122.378 120.500 -0.333 0.000 2.879 57 R HA -0.114 4.225 4.340 -0.002 0.000 0.241 57 R C -1.917 174.140 176.300 -0.406 0.000 0.845 57 R CA 0.496 56.398 56.100 -0.330 0.000 0.599 57 R CB -1.586 28.560 30.300 -0.257 0.000 1.213 57 R HN 0.666 nan 8.270 nan 0.000 0.510 58 P HA -0.076 nan 4.420 nan 0.000 0.237 58 P C 0.232 177.105 177.300 -0.711 0.000 1.178 58 P CA 0.889 63.553 63.100 -0.728 0.000 0.766 58 P CB 0.160 31.189 31.700 -1.117 0.000 0.876 59 F N -0.760 119.111 119.950 -0.132 0.000 2.879 59 F HA 0.405 4.931 4.527 -0.002 0.000 0.354 59 F C 1.811 177.567 175.800 -0.073 0.000 1.291 59 F CA -0.443 57.513 58.000 -0.073 0.000 1.238 59 F CB -0.047 38.892 39.000 -0.103 0.000 1.005 59 F HN -0.223 nan 8.300 nan 0.000 0.508 60 Q N 0.795 120.582 119.800 -0.021 0.000 2.302 60 Q HA 0.115 4.454 4.340 -0.002 0.000 0.202 60 Q C 0.554 176.550 176.000 -0.007 0.000 0.936 60 Q CA 0.470 56.221 55.803 -0.086 0.000 0.886 60 Q CB 0.528 29.093 28.738 -0.288 0.000 0.986 60 Q HN 0.394 nan 8.270 nan 0.000 0.487 61 S N -2.637 113.112 115.700 0.080 0.000 2.638 61 S HA 0.380 4.850 4.470 -0.002 0.000 0.274 61 S C 0.620 175.317 174.600 0.161 0.000 1.157 61 S CA -0.800 57.475 58.200 0.126 0.000 0.826 61 S CB 0.175 63.478 63.200 0.172 0.000 1.139 61 S HN 0.101 nan 8.310 nan 0.000 0.474 62 I N 0.790 121.448 120.570 0.147 0.000 2.208 62 I HA -0.182 3.987 4.170 -0.002 0.000 0.245 62 I C 2.049 178.198 176.117 0.054 0.000 1.097 62 I CA 1.509 62.916 61.300 0.179 0.000 1.363 62 I CB -0.442 37.676 38.000 0.196 0.000 1.051 62 I HN 0.617 nan 8.210 nan 0.000 0.413 63 I N -0.253 120.333 120.570 0.026 0.000 2.179 63 I HA -0.327 3.842 4.170 -0.002 0.000 0.242 63 I C 2.624 178.663 176.117 -0.129 0.000 1.088 63 I CA 1.385 62.638 61.300 -0.078 0.000 1.357 63 I CB -0.654 37.298 38.000 -0.079 0.000 1.051 63 I HN 0.290 nan 8.210 nan 0.000 0.409 64 H N 0.496 119.526 119.070 -0.067 0.000 2.321 64 H HA -0.114 4.441 4.556 -0.002 0.000 0.300 64 H C 2.375 177.656 175.328 -0.078 0.000 1.087 64 H CA 1.666 57.659 56.048 -0.093 0.000 1.319 64 H CB -0.115 29.586 29.762 -0.101 0.000 1.379 64 H HN 0.378 nan 8.280 nan 0.000 0.501 65 A N 1.313 124.225 122.820 0.154 0.000 1.908 65 A HA -0.204 4.115 4.320 -0.002 0.000 0.218 65 A C 2.390 180.004 177.584 0.050 0.000 1.181 65 A CA 1.857 54.069 52.037 0.291 0.000 0.627 65 A CB -0.434 18.837 19.000 0.452 0.000 0.818 65 A HN 0.328 nan 8.150 nan 0.000 0.445 66 K N 0.067 120.244 120.400 -0.372 0.000 2.097 66 K HA -0.196 4.123 4.320 -0.002 0.000 0.205 66 K C 2.307 178.731 176.600 -0.294 0.000 1.050 66 K CA 1.499 57.287 56.287 -0.832 0.000 0.938 66 K CB -0.178 31.648 32.500 -1.124 0.000 0.718 66 K HN 0.626 nan 8.250 nan 0.000 0.442 67 R N -0.395 119.991 120.500 -0.190 0.000 2.115 67 R HA -0.023 4.316 4.340 -0.002 0.000 0.226 67 R C 1.818 178.072 176.300 -0.077 0.000 1.100 67 R CA 1.713 57.739 56.100 -0.122 0.000 0.980 67 R CB -0.754 29.442 30.300 -0.173 0.000 0.875 67 R HN -0.035 nan 8.270 nan 0.000 0.445 68 T N 0.687 115.208 114.554 -0.056 0.000 2.652 68 T HA -0.230 4.119 4.350 -0.002 0.000 0.267 68 T C 1.391 176.133 174.700 0.070 0.000 1.039 68 T CA 1.713 63.791 62.100 -0.036 0.000 1.153 68 T CB -0.519 68.289 68.868 -0.100 0.000 0.863 68 T HN 0.369 nan 8.240 nan 0.000 0.428 69 Y N 2.314 122.628 120.300 0.024 0.000 2.165 69 Y HA -0.173 4.376 4.550 -0.001 0.000 0.286 69 Y C 2.699 178.525 175.900 -0.124 0.000 1.155 69 Y CA 1.666 59.765 58.100 -0.002 0.000 1.164 69 Y CB -0.279 38.199 38.460 0.030 0.000 0.978 69 Y HN 0.003 nan 8.280 nan 0.000 0.513 70 R N 0.496 120.945 120.500 -0.085 0.000 2.070 70 R HA -0.244 4.095 4.340 -0.002 0.000 0.233 70 R C 2.350 178.626 176.300 -0.040 0.000 1.137 70 R CA 2.064 58.157 56.100 -0.010 0.000 0.945 70 R CB -0.552 29.879 30.300 0.219 0.000 0.845 70 R HN 0.563 nan 8.270 nan 0.000 0.430 71 E N 0.157 120.318 120.200 -0.065 0.000 2.058 71 E HA -0.234 4.115 4.350 -0.002 0.000 0.194 71 E C 2.032 178.576 176.600 -0.094 0.000 0.997 71 E CA 1.404 57.749 56.400 -0.091 0.000 0.801 71 E CB -0.138 29.488 29.700 -0.125 0.000 0.746 71 E HN 0.293 nan 8.360 nan 0.000 0.450 72 L N 1.218 122.371 121.223 -0.117 0.000 2.017 72 L HA -0.166 4.173 4.340 -0.002 0.000 0.208 72 L C 2.280 179.082 176.870 -0.114 0.000 1.073 72 L CA 1.696 56.468 54.840 -0.113 0.000 0.745 72 L CB -0.502 41.509 42.059 -0.081 0.000 0.894 72 L HN 0.057 nan 8.230 nan 0.000 0.432 73 R N -0.382 119.969 120.500 -0.248 0.000 2.083 73 R HA -0.146 4.193 4.340 -0.002 0.000 0.237 73 R C 2.324 178.697 176.300 0.121 0.000 1.137 73 R CA 1.830 57.844 56.100 -0.143 0.000 0.951 73 R CB -1.150 28.907 30.300 -0.405 0.000 0.851 73 R HN 0.418 nan 8.270 nan 0.000 0.434 74 L N 0.561 121.846 121.223 0.103 0.000 1.989 74 L HA -0.204 4.135 4.340 -0.002 0.000 0.211 74 L C 2.577 179.553 176.870 0.177 0.000 1.071 74 L CA 1.303 56.206 54.840 0.106 0.000 0.749 74 L CB -0.533 41.618 42.059 0.154 0.000 0.890 74 L HN 0.139 nan 8.230 nan 0.000 0.431 75 L N -0.548 120.745 121.223 0.117 0.000 2.079 75 L HA -0.244 4.095 4.340 -0.002 0.000 0.210 75 L C 2.608 179.563 176.870 0.141 0.000 1.081 75 L CA 1.399 56.308 54.840 0.116 0.000 0.752 75 L CB -0.468 41.592 42.059 0.001 0.000 0.896 75 L HN 0.239 nan 8.230 nan 0.000 0.433 76 K N -1.204 119.281 120.400 0.141 0.000 2.148 76 K HA -0.199 4.120 4.320 -0.002 0.000 0.204 76 K C 2.047 178.784 176.600 0.229 0.000 1.050 76 K CA 1.116 57.527 56.287 0.206 0.000 0.942 76 K CB -0.137 32.485 32.500 0.204 0.000 0.724 76 K HN 0.279 nan 8.250 nan 0.000 0.446 77 H N -0.019 119.131 119.070 0.133 0.000 2.403 77 H HA 0.090 4.645 4.556 -0.002 0.000 0.298 77 H C 0.167 175.581 175.328 0.143 0.000 1.059 77 H CA 0.697 56.822 56.048 0.128 0.000 1.363 77 H CB 0.306 30.111 29.762 0.071 0.000 1.410 77 H HN -0.102 nan 8.280 nan 0.000 0.528 78 M N 1.924 121.616 119.600 0.153 0.000 2.220 78 M HA 0.145 4.624 4.480 -0.002 0.000 0.343 78 M C -0.670 175.688 176.300 0.097 0.000 1.470 78 M CA 0.602 56.008 55.300 0.176 0.000 1.161 78 M CB 0.432 33.117 32.600 0.142 0.000 1.737 78 M HN 0.169 nan 8.290 nan 0.000 0.464 79 K N 3.190 123.619 120.400 0.048 0.000 2.687 79 K HA 0.353 4.672 4.320 -0.002 0.000 0.197 79 K C -0.914 175.508 176.600 -0.296 0.000 1.049 79 K CA -0.388 55.863 56.287 -0.059 0.000 1.030 79 K CB 1.342 33.841 32.500 -0.000 0.000 1.261 79 K HN 0.565 nan 8.250 nan 0.000 0.565 80 H N 1.022 119.806 119.070 -0.477 0.000 3.085 80 H HA 0.103 4.658 4.556 -0.002 0.000 0.356 80 H C -0.048 175.096 175.328 -0.307 0.000 1.178 80 H CA -0.317 55.364 56.048 -0.612 0.000 1.214 80 H CB 1.654 30.635 29.762 -1.302 0.000 1.881 80 H HN 0.432 nan 8.280 nan 0.000 0.538 81 E N 2.147 122.079 120.200 -0.447 0.000 2.171 81 E HA -0.172 4.177 4.350 -0.002 0.000 0.197 81 E C 0.347 176.911 176.600 -0.059 0.000 0.997 81 E CA 1.596 57.864 56.400 -0.220 0.000 0.810 81 E CB 0.151 29.694 29.700 -0.262 0.000 0.738 81 E HN 0.522 nan 8.360 nan 0.000 0.467 82 N N -0.513 118.268 118.700 0.134 0.000 2.251 82 N HA 0.091 4.830 4.740 -0.002 0.000 0.217 82 N C -1.370 174.158 175.510 0.029 0.000 1.124 82 N CA -0.225 52.862 53.050 0.063 0.000 0.843 82 N CB 1.310 39.815 38.487 0.031 0.000 1.024 82 N HN -0.158 nan 8.380 nan 0.000 0.501 83 V N 1.230 121.175 119.914 0.052 0.000 2.623 83 V HA 0.277 4.396 4.120 -0.002 0.000 0.304 83 V C -0.227 175.944 176.094 0.129 0.000 1.054 83 V CA -1.054 61.273 62.300 0.045 0.000 0.882 83 V CB 2.072 33.820 31.823 -0.126 0.000 1.002 83 V HN 0.023 nan 8.190 nan 0.000 0.424 84 I N 3.933 124.648 120.570 0.242 0.000 2.775 84 I HA 0.480 4.649 4.170 -0.002 0.000 0.290 84 I C 0.880 177.131 176.117 0.224 0.000 1.203 84 I CA 1.368 62.790 61.300 0.202 0.000 1.433 84 I CB 0.621 38.702 38.000 0.135 0.000 1.354 84 I HN 0.798 nan 8.210 nan 0.000 0.579 85 G N 6.188 115.086 108.800 0.162 0.000 2.818 85 G HA2 0.561 4.520 3.960 -0.002 0.000 0.286 85 G HA3 0.561 4.520 3.960 -0.002 0.000 0.286 85 G C -1.763 173.193 174.900 0.093 0.000 1.364 85 G CA -0.832 44.355 45.100 0.144 0.000 0.938 85 G HN 0.546 nan 8.290 nan 0.000 0.490 86 L N 0.767 122.052 121.223 0.104 0.000 2.257 86 L HA 0.465 4.804 4.340 -0.002 0.000 0.290 86 L C 0.972 177.924 176.870 0.136 0.000 1.044 86 L CA -0.395 54.473 54.840 0.046 0.000 0.810 86 L CB 0.963 43.017 42.059 -0.009 0.000 1.193 86 L HN 0.523 nan 8.230 nan 0.000 0.425 87 L N 2.568 123.816 121.223 0.042 0.000 2.209 87 L HA 0.212 4.551 4.340 -0.002 0.000 0.207 87 L C -0.004 177.032 176.870 0.277 0.000 1.094 87 L CA 0.555 55.463 54.840 0.113 0.000 0.790 87 L CB -0.024 42.012 42.059 -0.038 0.000 0.932 87 L HN 0.642 nan 8.230 nan 0.000 0.447 88 D N -1.881 118.535 120.400 0.025 0.000 2.685 88 D HA 0.369 5.008 4.640 -0.002 0.000 0.236 88 D C -1.669 174.402 176.300 -0.382 0.000 1.233 88 D CA -0.213 53.774 54.000 -0.023 0.000 0.760 88 D CB 2.540 43.537 40.800 0.329 0.000 1.410 88 D HN -0.275 nan 8.370 nan 0.000 0.439 89 V N 3.337 122.973 119.914 -0.463 0.000 2.760 89 V HA 0.912 5.031 4.120 -0.002 0.000 0.309 89 V C -1.562 174.539 176.094 0.012 0.000 1.077 89 V CA -0.467 61.629 62.300 -0.341 0.000 0.910 89 V CB 1.208 32.761 31.823 -0.450 0.000 1.008 89 V HN 0.522 nan 8.190 nan 0.000 0.424 90 F N 2.479 122.490 119.950 0.101 0.000 2.685 90 F HA 0.913 5.439 4.527 -0.002 0.000 0.315 90 F C -0.653 175.354 175.800 0.345 0.000 1.126 90 F CA -0.721 57.412 58.000 0.223 0.000 0.950 90 F CB 1.841 40.994 39.000 0.256 0.000 1.360 90 F HN 0.547 nan 8.300 nan 0.000 0.469 91 T N 1.091 116.027 114.554 0.636 0.000 2.952 91 T HA 0.467 4.817 4.350 -0.002 0.000 0.305 91 T C -2.346 172.513 174.700 0.265 0.000 1.064 91 T CA -1.797 60.631 62.100 0.548 0.000 1.008 91 T CB 1.867 71.092 68.868 0.595 0.000 1.078 91 T HN 0.533 nan 8.240 nan 0.000 0.459 92 P HA 0.153 nan 4.420 nan 0.000 0.230 92 P C 0.391 177.504 177.300 -0.311 0.000 1.158 92 P CA 0.130 62.791 63.100 -0.731 0.000 0.769 92 P CB -0.217 31.190 31.700 -0.489 0.000 0.807 93 A N 0.853 123.682 122.820 0.015 0.000 2.511 93 A HA 0.081 4.400 4.320 -0.002 0.000 0.242 93 A C 1.264 178.899 177.584 0.085 0.000 1.069 93 A CA -0.072 52.021 52.037 0.094 0.000 0.763 93 A CB -0.040 19.121 19.000 0.268 0.000 1.001 93 A HN 0.066 nan 8.150 nan 0.000 0.498 94 R N 0.705 121.236 120.500 0.052 0.000 2.300 94 R HA 0.115 4.454 4.340 -0.002 0.000 0.199 94 R C 0.118 176.477 176.300 0.098 0.000 0.920 94 R CA 0.881 57.020 56.100 0.066 0.000 1.046 94 R CB 0.051 30.370 30.300 0.032 0.000 0.984 94 R HN 0.850 nan 8.270 nan 0.000 0.493 95 S N -1.390 114.352 115.700 0.070 0.000 2.596 95 S HA 0.142 4.611 4.470 -0.002 0.000 0.270 95 S C 0.274 174.711 174.600 -0.272 0.000 1.155 95 S CA -0.926 57.271 58.200 -0.005 0.000 0.827 95 S CB 1.268 64.455 63.200 -0.020 0.000 1.130 95 S HN -0.009 nan 8.310 nan 0.000 0.467 96 L N 1.273 122.156 121.223 -0.566 0.000 2.079 96 L HA 0.047 4.386 4.340 -0.002 0.000 0.210 96 L C 2.153 178.842 176.870 -0.303 0.000 1.081 96 L CA 2.218 56.568 54.840 -0.816 0.000 0.752 96 L CB -1.195 40.525 42.059 -0.564 0.000 0.896 96 L HN 0.856 nan 8.230 nan 0.000 0.433 97 E N 0.317 120.413 120.200 -0.173 0.000 2.118 97 E HA -0.244 4.105 4.350 -0.002 0.000 0.195 97 E C 1.975 178.544 176.600 -0.052 0.000 0.992 97 E CA 1.700 58.045 56.400 -0.091 0.000 0.804 97 E CB -0.298 29.365 29.700 -0.061 0.000 0.741 97 E HN 0.842 nan 8.360 nan 0.000 0.458 98 E N -0.320 119.862 120.200 -0.031 0.000 2.474 98 E HA -0.038 4.311 4.350 -0.002 0.000 0.195 98 E C -0.091 176.560 176.600 0.085 0.000 1.039 98 E CA -0.413 55.996 56.400 0.015 0.000 0.881 98 E CB -0.178 29.532 29.700 0.016 0.000 0.970 98 E HN 0.124 nan 8.360 nan 0.000 0.486 99 F N 3.029 122.910 119.950 -0.116 0.000 2.519 99 F HA 0.113 4.638 4.527 -0.002 0.000 0.375 99 F C 0.461 176.309 175.800 0.080 0.000 1.084 99 F CA 0.052 58.031 58.000 -0.035 0.000 1.147 99 F CB 0.195 39.070 39.000 -0.208 0.000 1.088 99 F HN -0.009 nan 8.300 nan 0.000 0.555 100 N N 3.086 121.709 118.700 -0.128 0.000 2.039 100 N HA 0.040 4.779 4.740 -0.002 0.000 0.228 100 N C -1.389 173.975 175.510 -0.244 0.000 1.369 100 N CA -0.085 52.868 53.050 -0.161 0.000 0.806 100 N CB 0.303 38.753 38.487 -0.062 0.000 1.190 100 N HN 0.490 nan 8.380 nan 0.000 0.506 101 D N 0.516 120.777 120.400 -0.232 0.000 2.859 101 D HA 0.350 4.989 4.640 -0.002 0.000 0.223 101 D C -1.103 175.122 176.300 -0.126 0.000 1.218 101 D CA -0.206 53.636 54.000 -0.263 0.000 0.850 101 D CB 3.162 43.861 40.800 -0.167 0.000 1.656 101 D HN -0.218 nan 8.370 nan 0.000 0.484 102 V N 2.305 122.033 119.914 -0.310 0.000 2.638 102 V HA 0.430 4.549 4.120 -0.002 0.000 0.306 102 V C -1.295 174.539 176.094 -0.433 0.000 1.052 102 V CA -0.665 61.551 62.300 -0.139 0.000 0.885 102 V CB 1.525 33.294 31.823 -0.091 0.000 0.999 102 V HN 0.406 nan 8.190 nan 0.000 0.424 103 Y N 4.667 124.684 120.300 -0.472 0.000 2.376 103 Y HA 0.714 5.262 4.550 -0.002 0.000 0.340 103 Y C -0.169 175.309 175.900 -0.704 0.000 0.965 103 Y CA -0.849 56.817 58.100 -0.724 0.000 1.078 103 Y CB 1.753 39.462 38.460 -1.253 0.000 1.193 103 Y HN 0.414 nan 8.280 nan 0.000 0.452 104 L N 4.142 125.164 121.223 -0.335 0.000 2.322 104 L HA 0.756 5.095 4.340 -0.002 0.000 0.281 104 L C -0.883 175.852 176.870 -0.224 0.000 1.014 104 L CA -1.073 53.598 54.840 -0.282 0.000 0.815 104 L CB 1.589 43.517 42.059 -0.218 0.000 1.247 104 L HN 0.307 nan 8.230 nan 0.000 0.421 105 V N 1.489 121.279 119.914 -0.207 0.000 2.495 105 V HA 0.695 4.814 4.120 -0.002 0.000 0.298 105 V C 0.191 176.219 176.094 -0.109 0.000 1.031 105 V CA -0.362 61.852 62.300 -0.143 0.000 0.871 105 V CB 1.828 33.580 31.823 -0.119 0.000 0.988 105 V HN 0.946 nan 8.190 nan 0.000 0.432 106 T N 0.333 114.829 114.554 -0.097 0.000 2.804 106 T HA 0.519 4.868 4.350 -0.002 0.000 0.290 106 T C -0.351 174.289 174.700 -0.100 0.000 1.099 106 T CA -0.807 61.237 62.100 -0.094 0.000 1.011 106 T CB 1.470 70.308 68.868 -0.050 0.000 1.291 106 T HN 0.552 nan 8.240 nan 0.000 0.523 107 H N 0.047 119.124 119.070 0.012 0.000 2.852 107 H HA 0.295 4.850 4.556 -0.002 0.000 0.362 107 H C -0.449 174.874 175.328 -0.008 0.000 1.122 107 H CA -0.166 55.891 56.048 0.015 0.000 1.419 107 H CB 0.874 30.645 29.762 0.015 0.000 1.401 107 H HN 0.430 nan 8.280 nan 0.000 0.609 108 L N 3.708 125.017 121.223 0.145 0.000 2.277 108 L HA 0.071 4.410 4.340 -0.002 0.000 0.284 108 L C 0.966 177.877 176.870 0.068 0.000 1.028 108 L CA -0.367 54.512 54.840 0.066 0.000 0.835 108 L CB 0.661 42.758 42.059 0.062 0.000 1.215 108 L HN 0.527 nan 8.230 nan 0.000 0.425 109 M N 2.790 122.410 119.600 0.032 0.000 2.132 109 M HA 0.174 4.653 4.480 -0.002 0.000 0.263 109 M C 1.558 177.872 176.300 0.024 0.000 1.065 109 M CA 1.379 56.691 55.300 0.019 0.000 1.122 109 M CB -1.133 31.465 32.600 -0.002 0.000 1.365 109 M HN 0.856 nan 8.290 nan 0.000 0.411 110 G N -0.606 108.209 108.800 0.025 0.000 2.380 110 G HA2 0.047 4.006 3.960 -0.002 0.000 0.197 110 G HA3 0.047 4.006 3.960 -0.002 0.000 0.197 110 G C 0.173 175.099 174.900 0.044 0.000 1.001 110 G CA 0.212 45.334 45.100 0.036 0.000 0.668 110 G HN 0.895 nan 8.290 nan 0.000 0.483 111 A N -0.353 122.491 122.820 0.041 0.000 2.586 111 A HA 0.709 5.028 4.320 -0.002 0.000 0.290 111 A C -1.164 176.452 177.584 0.054 0.000 1.086 111 A CA 0.414 52.483 52.037 0.053 0.000 0.665 111 A CB 0.901 19.920 19.000 0.032 0.000 1.279 111 A HN 1.093 nan 8.150 nan 0.000 0.423 112 D N -0.752 119.687 120.400 0.065 0.000 2.392 112 D HA 0.506 5.145 4.640 -0.002 0.000 0.246 112 D C 0.697 177.002 176.300 0.009 0.000 1.013 112 D CA -0.674 53.355 54.000 0.048 0.000 0.993 112 D CB 0.672 41.528 40.800 0.093 0.000 1.219 112 D HN 0.294 nan 8.370 nan 0.000 0.538 113 L N 0.708 121.922 121.223 -0.015 0.000 2.083 113 L HA -0.073 4.266 4.340 -0.002 0.000 0.209 113 L C 1.570 178.428 176.870 -0.021 0.000 1.083 113 L CA 1.660 56.481 54.840 -0.031 0.000 0.752 113 L CB -1.308 40.717 42.059 -0.058 0.000 0.899 113 L HN 0.479 nan 8.230 nan 0.000 0.433 114 N N 0.388 119.075 118.700 -0.021 0.000 2.037 114 N HA -0.255 4.484 4.740 -0.002 0.000 0.196 114 N C 1.582 177.098 175.510 0.009 0.000 1.034 114 N CA 2.113 55.161 53.050 -0.003 0.000 0.861 114 N CB -0.470 38.013 38.487 -0.008 0.000 1.039 114 N HN 0.541 nan 8.380 nan 0.000 0.427 115 N N -0.517 118.188 118.700 0.009 0.000 2.104 115 N HA -0.144 4.595 4.740 -0.002 0.000 0.190 115 N C 1.386 176.899 175.510 0.006 0.000 1.024 115 N CA 0.933 53.990 53.050 0.011 0.000 0.853 115 N CB -0.082 38.415 38.487 0.018 0.000 1.008 115 N HN 0.142 nan 8.380 nan 0.000 0.424 116 I N 0.495 121.064 120.570 -0.003 0.000 2.110 116 I HA -0.172 3.997 4.170 -0.002 0.000 0.236 116 I C 2.260 178.372 176.117 -0.009 0.000 1.068 116 I CA 0.836 62.127 61.300 -0.015 0.000 1.333 116 I CB -0.939 37.042 38.000 -0.031 0.000 1.054 116 I HN -0.013 nan 8.210 nan 0.000 0.402 117 V N 0.557 120.471 119.914 -0.001 0.000 2.720 117 V HA -0.274 3.845 4.120 -0.002 0.000 0.256 117 V C 2.464 178.571 176.094 0.022 0.000 1.082 117 V CA 1.795 64.102 62.300 0.012 0.000 1.101 117 V CB -0.485 31.351 31.823 0.021 0.000 0.693 117 V HN 0.400 nan 8.190 nan 0.000 0.479 118 K N -0.969 119.445 120.400 0.023 0.000 1.991 118 K HA -0.066 4.253 4.320 -0.002 0.000 0.207 118 K C 1.777 178.389 176.600 0.020 0.000 1.045 118 K CA 1.783 58.087 56.287 0.027 0.000 0.937 118 K CB -0.258 32.259 32.500 0.029 0.000 0.720 118 K HN 0.492 nan 8.250 nan 0.000 0.438 119 C N 1.012 120.320 119.300 0.013 0.000 2.693 119 C HA 0.263 4.722 4.460 -0.002 0.000 0.286 119 C C 0.276 175.270 174.990 0.006 0.000 1.277 119 C CA -0.431 58.594 59.018 0.011 0.000 1.705 119 C CB -0.862 26.884 27.740 0.010 0.000 1.879 119 C HN 0.369 nan 8.230 nan 0.000 0.607 120 Q N -0.035 119.766 119.800 0.003 0.000 2.462 120 Q HA 0.291 4.630 4.340 -0.002 0.000 0.285 120 Q C -0.962 175.045 176.000 0.012 0.000 1.035 120 Q CA -0.588 55.214 55.803 -0.002 0.000 0.799 120 Q CB 2.072 30.789 28.738 -0.034 0.000 1.452 120 Q HN 0.209 nan 8.270 nan 0.000 0.404 121 K N 2.154 122.573 120.400 0.031 0.000 2.248 121 K HA 0.389 4.708 4.320 -0.002 0.000 0.281 121 K C -1.169 175.502 176.600 0.119 0.000 1.054 121 K CA -0.190 56.136 56.287 0.066 0.000 0.903 121 K CB 0.412 32.956 32.500 0.073 0.000 1.077 121 K HN 0.496 nan 8.250 nan 0.000 0.474 122 L N 5.227 126.533 121.223 0.138 0.000 2.262 122 L HA 0.212 4.551 4.340 -0.002 0.000 0.288 122 L C 0.740 177.769 176.870 0.266 0.000 1.035 122 L CA -0.834 54.164 54.840 0.263 0.000 0.820 122 L CB 1.307 43.457 42.059 0.151 0.000 1.204 122 L HN 0.812 nan 8.230 nan 0.000 0.424 123 T N -2.346 112.402 114.554 0.324 0.000 2.748 123 T HA -0.033 4.316 4.350 -0.002 0.000 0.304 123 T C 0.885 175.639 174.700 0.091 0.000 1.041 123 T CA -0.390 61.758 62.100 0.079 0.000 1.033 123 T CB 1.165 69.957 68.868 -0.126 0.000 0.995 123 T HN 0.617 nan 8.240 nan 0.000 0.536 124 D N -0.138 120.304 120.400 0.069 0.000 2.182 124 D HA -0.156 4.483 4.640 -0.002 0.000 0.201 124 D C 1.645 177.997 176.300 0.086 0.000 0.986 124 D CA 1.509 55.577 54.000 0.113 0.000 0.847 124 D CB -0.352 40.516 40.800 0.113 0.000 0.942 124 D HN 0.796 nan 8.370 nan 0.000 0.467 125 D N -1.605 118.800 120.400 0.010 0.000 2.144 125 D HA -0.143 4.496 4.640 -0.002 0.000 0.200 125 D C 1.724 178.090 176.300 0.110 0.000 0.978 125 D CA 1.237 55.252 54.000 0.025 0.000 0.833 125 D CB -0.114 40.652 40.800 -0.057 0.000 0.961 125 D HN 0.439 nan 8.370 nan 0.000 0.470 126 H N -1.084 118.066 119.070 0.134 0.000 2.321 126 H HA -0.073 4.482 4.556 -0.002 0.000 0.300 126 H C 2.225 177.643 175.328 0.149 0.000 1.087 126 H CA 1.257 57.398 56.048 0.155 0.000 1.319 126 H CB 0.135 29.967 29.762 0.116 0.000 1.379 126 H HN 0.024 nan 8.280 nan 0.000 0.501 127 V N 0.959 121.032 119.914 0.266 0.000 2.295 127 V HA -0.297 3.822 4.120 -0.002 0.000 0.246 127 V C 2.199 178.448 176.094 0.259 0.000 1.049 127 V CA 1.866 64.305 62.300 0.232 0.000 1.024 127 V CB -0.584 31.383 31.823 0.241 0.000 0.648 127 V HN 0.475 nan 8.190 nan 0.000 0.447 128 Q N -1.053 118.854 119.800 0.178 0.000 2.077 128 Q HA -0.257 4.082 4.340 -0.002 0.000 0.206 128 Q C 2.201 178.308 176.000 0.178 0.000 0.989 128 Q CA 2.318 58.182 55.803 0.102 0.000 0.853 128 Q CB -0.343 28.369 28.738 -0.043 0.000 0.907 128 Q HN 0.636 nan 8.270 nan 0.000 0.418 129 F N 0.993 120.805 119.950 -0.231 0.000 2.113 129 F HA -0.139 4.387 4.527 -0.002 0.000 0.297 129 F C 1.773 177.482 175.800 -0.152 0.000 1.103 129 F CA 1.161 58.851 58.000 -0.517 0.000 1.248 129 F CB -0.294 38.450 39.000 -0.427 0.000 0.999 129 F HN -0.036 nan 8.300 nan 0.000 0.475 130 L N -0.306 120.858 121.223 -0.098 0.000 2.017 130 L HA -0.253 4.086 4.340 -0.002 0.000 0.208 130 L C 2.451 179.250 176.870 -0.118 0.000 1.073 130 L CA 0.832 55.565 54.840 -0.179 0.000 0.745 130 L CB -0.723 41.305 42.059 -0.053 0.000 0.894 130 L HN 0.100 nan 8.230 nan 0.000 0.432 131 I N -1.134 119.467 120.570 0.051 0.000 2.315 131 I HA -0.294 3.875 4.170 -0.002 0.000 0.248 131 I C 2.501 178.550 176.117 -0.114 0.000 1.117 131 I CA 1.446 62.796 61.300 0.082 0.000 1.404 131 I CB -1.254 36.944 38.000 0.331 0.000 1.071 131 I HN 0.257 nan 8.210 nan 0.000 0.419 132 Y N 2.339 122.466 120.300 -0.288 0.000 2.114 132 Y HA -0.311 4.238 4.550 -0.002 0.000 0.282 132 Y C 2.732 178.389 175.900 -0.404 0.000 1.165 132 Y CA 2.051 59.759 58.100 -0.653 0.000 1.148 132 Y CB -0.431 37.786 38.460 -0.405 0.000 0.972 132 Y HN 0.242 nan 8.280 nan 0.000 0.504 133 Q N -0.238 119.322 119.800 -0.399 0.000 2.119 133 Q HA -0.151 4.188 4.340 -0.002 0.000 0.201 133 Q C 2.339 178.132 176.000 -0.344 0.000 0.972 133 Q CA 1.967 57.524 55.803 -0.409 0.000 0.847 133 Q CB -0.181 28.307 28.738 -0.418 0.000 0.903 133 Q HN 0.578 nan 8.270 nan 0.000 0.433 134 I N 0.436 120.835 120.570 -0.285 0.000 2.226 134 I HA -0.288 3.881 4.170 -0.002 0.000 0.245 134 I C 2.068 178.027 176.117 -0.263 0.000 1.100 134 I CA 1.074 62.241 61.300 -0.222 0.000 1.374 134 I CB -0.180 37.725 38.000 -0.158 0.000 1.057 134 I HN 0.187 nan 8.210 nan 0.000 0.413 135 L N 0.093 121.121 121.223 -0.325 0.000 2.141 135 L HA -0.164 4.175 4.340 -0.002 0.000 0.209 135 L C 2.752 179.401 176.870 -0.369 0.000 1.094 135 L CA 1.100 55.744 54.840 -0.328 0.000 0.763 135 L CB -0.485 41.355 42.059 -0.365 0.000 0.908 135 L HN 0.204 nan 8.230 nan 0.000 0.437 136 R N 0.165 120.372 120.500 -0.489 0.000 2.075 136 R HA -0.115 4.225 4.340 -0.002 0.000 0.232 136 R C 2.273 178.389 176.300 -0.306 0.000 1.126 136 R CA 1.373 57.239 56.100 -0.388 0.000 0.963 136 R CB -0.431 29.558 30.300 -0.519 0.000 0.858 136 R HN 0.356 nan 8.270 nan 0.000 0.435 137 G N 1.149 109.750 108.800 -0.331 0.000 2.421 137 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.216 137 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.216 137 G C 1.472 176.128 174.900 -0.407 0.000 1.171 137 G CA 0.627 45.450 45.100 -0.461 0.000 0.775 137 G HN 0.221 nan 8.290 nan 0.000 0.543 138 L N 0.178 121.191 121.223 -0.351 0.000 2.046 138 L HA -0.083 4.256 4.340 -0.002 0.000 0.208 138 L C 2.854 179.431 176.870 -0.488 0.000 1.077 138 L CA 1.558 56.115 54.840 -0.472 0.000 0.747 138 L CB -0.389 41.372 42.059 -0.497 0.000 0.896 138 L HN 0.251 nan 8.230 nan 0.000 0.432 139 K N -0.187 120.034 120.400 -0.300 0.000 2.059 139 K HA -0.308 4.011 4.320 -0.002 0.000 0.212 139 K C 2.278 178.809 176.600 -0.116 0.000 1.050 139 K CA 2.235 58.430 56.287 -0.153 0.000 0.927 139 K CB -0.427 32.027 32.500 -0.078 0.000 0.714 139 K HN 0.179 nan 8.250 nan 0.000 0.447 140 Y N 1.320 121.430 120.300 -0.317 0.000 2.097 140 Y HA -0.237 4.312 4.550 -0.002 0.000 0.282 140 Y C 2.004 177.761 175.900 -0.238 0.000 1.152 140 Y CA 2.019 59.941 58.100 -0.296 0.000 1.136 140 Y CB -0.218 37.892 38.460 -0.584 0.000 0.975 140 Y HN 0.051 nan 8.280 nan 0.000 0.498 141 I N -0.472 119.971 120.570 -0.211 0.000 2.127 141 I HA -0.400 3.769 4.170 -0.002 0.000 0.241 141 I C 2.262 178.326 176.117 -0.089 0.000 1.075 141 I CA 2.039 63.192 61.300 -0.244 0.000 1.334 141 I CB -0.658 37.175 38.000 -0.278 0.000 1.040 141 I HN 0.360 nan 8.210 nan 0.000 0.405 142 H N -0.202 118.801 119.070 -0.111 0.000 2.423 142 H HA -0.121 4.434 4.556 -0.002 0.000 0.297 142 H C 2.492 177.780 175.328 -0.067 0.000 1.075 142 H CA 1.117 57.132 56.048 -0.056 0.000 1.342 142 H CB 0.035 29.788 29.762 -0.016 0.000 1.395 142 H HN 0.400 nan 8.280 nan 0.000 0.530 143 S N 0.668 116.373 115.700 0.008 0.000 2.442 143 S HA -0.050 4.419 4.470 -0.002 0.000 0.236 143 S C 1.998 176.563 174.600 -0.058 0.000 1.007 143 S CA 0.650 58.828 58.200 -0.037 0.000 0.965 143 S CB 0.029 63.182 63.200 -0.077 0.000 0.773 143 S HN 0.402 nan 8.310 nan 0.000 0.504 144 A N 0.944 123.703 122.820 -0.102 0.000 2.337 144 A HA 0.300 4.619 4.320 -0.002 0.000 0.227 144 A C 0.360 177.967 177.584 0.039 0.000 1.259 144 A CA 0.195 52.206 52.037 -0.043 0.000 0.870 144 A CB -0.348 18.578 19.000 -0.124 0.000 0.927 144 A HN 0.375 nan 8.150 nan 0.000 0.497 145 D N -0.888 119.535 120.400 0.038 0.000 2.800 145 D HA -0.155 4.484 4.640 -0.002 0.000 0.232 145 D C -0.308 176.040 176.300 0.081 0.000 1.137 145 D CA 1.092 55.126 54.000 0.056 0.000 0.718 145 D CB -1.493 39.341 40.800 0.056 0.000 1.084 145 D HN 0.557 nan 8.370 nan 0.000 0.432 146 I N 0.444 121.055 120.570 0.068 0.000 2.493 146 I HA 0.403 4.572 4.170 -0.002 0.000 0.298 146 I C 0.710 176.911 176.117 0.141 0.000 0.998 146 I CA -0.870 60.478 61.300 0.079 0.000 1.137 146 I CB 1.686 39.667 38.000 -0.031 0.000 1.310 146 I HN -0.163 nan 8.210 nan 0.000 0.445 147 I N 4.703 125.362 120.570 0.149 0.000 2.404 147 I HA 0.210 4.379 4.170 -0.002 0.000 0.293 147 I C 1.133 177.396 176.117 0.245 0.000 0.992 147 I CA -0.530 60.887 61.300 0.195 0.000 1.149 147 I CB 1.513 39.622 38.000 0.182 0.000 1.315 147 I HN 0.665 nan 8.210 nan 0.000 0.446 148 H N 6.676 125.889 119.070 0.239 0.000 2.276 148 H HA -0.046 4.509 4.556 -0.002 0.000 0.301 148 H C 1.136 176.549 175.328 0.141 0.000 1.073 148 H CA 2.247 58.426 56.048 0.217 0.000 1.311 148 H CB 0.408 30.290 29.762 0.200 0.000 1.379 148 H HN 0.646 nan 8.280 nan 0.000 0.494 149 R N -1.116 119.587 120.500 0.338 0.000 3.746 149 R HA -0.199 4.140 4.340 -0.002 0.000 0.465 149 R C -0.144 176.269 176.300 0.189 0.000 0.725 149 R CA 1.449 57.641 56.100 0.154 0.000 1.545 149 R CB -1.530 28.794 30.300 0.041 0.000 2.197 149 R HN 0.373 nan 8.270 nan 0.000 0.438 150 D N 0.043 120.710 120.400 0.445 0.000 2.865 150 D HA 0.183 4.822 4.640 -0.002 0.000 0.347 150 D C -1.065 175.262 176.300 0.044 0.000 1.498 150 D CA -0.429 53.736 54.000 0.276 0.000 0.787 150 D CB 0.426 41.420 40.800 0.323 0.000 1.190 150 D HN 0.006 nan 8.370 nan 0.000 0.445 151 L N 2.196 123.247 121.223 -0.285 0.000 2.462 151 L HA 0.313 4.652 4.340 -0.002 0.000 0.272 151 L C 0.096 176.804 176.870 -0.270 0.000 1.166 151 L CA 0.844 55.351 54.840 -0.555 0.000 0.880 151 L CB -0.088 41.730 42.059 -0.402 0.000 1.142 151 L HN 0.213 nan 8.230 nan 0.000 0.473 152 K N 3.065 123.263 120.400 -0.337 0.000 2.615 152 K HA 0.495 4.814 4.320 -0.002 0.000 0.291 152 K C -2.729 173.603 176.600 -0.446 0.000 1.017 152 K CA -1.558 54.392 56.287 -0.561 0.000 0.882 152 K CB 0.647 32.846 32.500 -0.501 0.000 1.522 152 K HN 0.008 nan 8.250 nan 0.000 0.412 153 P HA -0.273 nan 4.420 nan 0.000 0.216 153 P C 1.253 178.466 177.300 -0.145 0.000 1.154 153 P CA 2.178 65.120 63.100 -0.264 0.000 0.865 153 P CB 0.029 31.606 31.700 -0.206 0.000 0.789 154 S N -0.601 115.019 115.700 -0.133 0.000 2.474 154 S HA -0.129 4.340 4.470 -0.002 0.000 0.235 154 S C 1.219 175.838 174.600 0.031 0.000 0.997 154 S CA 1.178 59.353 58.200 -0.041 0.000 0.949 154 S CB -1.328 61.841 63.200 -0.051 0.000 0.766 154 S HN 0.262 nan 8.310 nan 0.000 0.517 155 N N 0.789 119.485 118.700 -0.008 0.000 2.273 155 N HA 0.283 5.022 4.740 -0.002 0.000 0.231 155 N C -0.635 174.887 175.510 0.020 0.000 1.134 155 N CA -0.335 52.745 53.050 0.050 0.000 0.856 155 N CB -0.229 38.322 38.487 0.106 0.000 1.068 155 N HN 0.379 nan 8.380 nan 0.000 0.510 156 L N 0.721 121.932 121.223 -0.021 0.000 2.276 156 L HA 0.710 5.049 4.340 -0.002 0.000 0.286 156 L C -0.225 176.636 176.870 -0.015 0.000 1.024 156 L CA -1.091 53.729 54.840 -0.032 0.000 0.826 156 L CB 1.458 43.472 42.059 -0.075 0.000 1.211 156 L HN 0.107 nan 8.230 nan 0.000 0.422 157 A N 4.234 127.048 122.820 -0.010 0.000 2.301 157 A HA 0.794 5.113 4.320 -0.002 0.000 0.298 157 A C -0.460 177.110 177.584 -0.025 0.000 1.185 157 A CA -0.407 51.624 52.037 -0.010 0.000 0.830 157 A CB 1.082 20.070 19.000 -0.021 0.000 1.112 157 A HN 0.432 nan 8.150 nan 0.000 0.508 158 V N 3.571 123.475 119.914 -0.017 0.000 2.686 158 V HA 0.331 4.450 4.120 -0.002 0.000 0.306 158 V C -0.398 175.692 176.094 -0.007 0.000 1.065 158 V CA -0.966 61.318 62.300 -0.026 0.000 0.894 158 V CB 1.867 33.670 31.823 -0.034 0.000 1.004 158 V HN 1.116 nan 8.190 nan 0.000 0.424 159 N N 2.532 121.230 118.700 -0.003 0.000 2.476 159 N HA 0.276 5.015 4.740 -0.002 0.000 0.287 159 N C 0.568 176.093 175.510 0.025 0.000 1.262 159 N CA -0.685 52.372 53.050 0.013 0.000 0.980 159 N CB 0.526 39.020 38.487 0.012 0.000 1.163 159 N HN 0.593 nan 8.380 nan 0.000 0.592 160 E N -1.211 119.007 120.200 0.030 0.000 2.409 160 E HA -0.048 4.301 4.350 -0.002 0.000 0.198 160 E C -0.462 176.168 176.600 0.050 0.000 1.024 160 E CA 0.655 57.075 56.400 0.033 0.000 0.861 160 E CB -0.153 29.565 29.700 0.029 0.000 0.788 160 E HN 0.551 nan 8.360 nan 0.000 0.521 164 L N 1.706 122.824 121.223 -0.174 0.000 2.386 164 L HA 0.646 4.985 4.340 -0.002 0.000 0.271 164 L C -1.604 175.206 176.870 -0.101 0.000 0.993 164 L CA -0.461 54.292 54.840 -0.144 0.000 0.819 164 L CB 1.323 43.258 42.059 -0.206 0.000 1.294 164 L HN 0.434 nan 8.230 nan 0.000 0.414 165 K N 5.280 125.647 120.400 -0.055 0.000 2.378 165 K HA 0.545 4.864 4.320 -0.002 0.000 0.252 165 K C -1.180 175.433 176.600 0.022 0.000 0.931 165 K CA -0.636 55.645 56.287 -0.009 0.000 0.794 165 K CB 2.504 35.014 32.500 0.018 0.000 1.181 165 K HN 0.515 nan 8.250 nan 0.000 0.425 166 I N 4.443 125.055 120.570 0.071 0.000 2.441 166 I HA 0.208 4.378 4.170 -0.002 0.000 0.287 166 I C -0.118 176.160 176.117 0.268 0.000 1.049 166 I CA -0.403 60.990 61.300 0.156 0.000 1.381 166 I CB 0.378 38.492 38.000 0.190 0.000 1.409 166 I HN 0.286 nan 8.210 nan 0.000 0.523 167 L N 4.744 126.082 121.223 0.192 0.000 2.303 167 L HA 0.482 4.821 4.340 -0.002 0.000 0.266 167 L C 0.100 176.952 176.870 -0.029 0.000 1.011 167 L CA -0.690 54.168 54.840 0.030 0.000 0.818 167 L CB 1.294 43.340 42.059 -0.022 0.000 1.326 167 L HN 0.556 nan 8.230 nan 0.000 0.435 168 D N -0.166 119.980 120.400 -0.423 0.000 3.076 168 D HA -0.205 4.434 4.640 -0.002 0.000 0.218 168 D C -0.240 175.605 176.300 -0.760 0.000 1.156 168 D CA 1.000 54.726 54.000 -0.457 0.000 0.921 168 D CB -0.993 39.742 40.800 -0.109 0.000 1.113 168 D HN 0.383 nan 8.370 nan 0.000 0.418 169 F N -1.496 118.133 119.950 -0.535 0.000 2.545 169 F HA 0.423 4.949 4.527 -0.002 0.000 0.348 169 F C 1.893 177.481 175.800 -0.354 0.000 1.163 169 F CA -0.298 57.252 58.000 -0.749 0.000 1.331 169 F CB 0.068 38.903 39.000 -0.276 0.000 1.138 169 F HN 0.015 nan 8.300 nan 0.000 0.602 170 G N 1.572 110.347 108.800 -0.042 0.000 2.166 170 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.260 170 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.260 170 G C 0.446 175.336 174.900 -0.017 0.000 0.986 170 G CA 0.561 45.688 45.100 0.046 0.000 0.683 170 G HN 0.727 nan 8.290 nan 0.000 0.527 171 L N -0.394 120.763 121.223 -0.110 0.000 2.556 171 L HA 0.505 4.844 4.340 -0.002 0.000 0.226 171 L C 2.073 178.882 176.870 -0.102 0.000 1.089 171 L CA 0.368 55.140 54.840 -0.114 0.000 0.864 171 L CB -0.488 41.464 42.059 -0.179 0.000 1.067 171 L HN 0.846 nan 8.230 nan 0.000 0.477 175 T N -0.778 113.828 114.554 0.087 0.000 2.860 175 T HA 0.042 4.391 4.350 -0.002 0.000 0.299 175 T C 0.980 175.710 174.700 0.049 0.000 1.045 175 T CA -0.364 61.762 62.100 0.043 0.000 1.071 175 T CB 0.987 69.868 68.868 0.021 0.000 0.985 175 T HN 0.391 nan 8.240 nan 0.000 0.537 176 D N 0.937 121.355 120.400 0.030 0.000 2.123 176 D HA -0.140 4.499 4.640 -0.002 0.000 0.196 176 D C 1.603 177.920 176.300 0.030 0.000 0.992 176 D CA 1.700 55.718 54.000 0.030 0.000 0.833 176 D CB -0.387 40.416 40.800 0.005 0.000 0.954 176 D HN 0.855 nan 8.370 nan 0.000 0.455 177 D N 0.804 121.213 120.400 0.016 0.000 2.104 177 D HA -0.166 4.473 4.640 -0.002 0.000 0.194 177 D C 1.750 178.050 176.300 0.000 0.000 0.994 177 D CA 1.176 55.182 54.000 0.010 0.000 0.830 177 D CB 0.031 40.834 40.800 0.005 0.000 0.959 177 D HN 0.205 nan 8.370 nan 0.000 0.452 178 E N -1.095 119.106 120.200 0.002 0.000 2.204 178 E HA -0.122 4.227 4.350 -0.002 0.000 0.195 178 E C 1.496 178.039 176.600 -0.096 0.000 0.990 178 E CA 0.611 56.995 56.400 -0.027 0.000 0.821 178 E CB 0.028 29.752 29.700 0.041 0.000 0.750 178 E HN 0.410 nan 8.360 nan 0.000 0.477 179 M N 0.472 120.036 119.600 -0.059 0.000 2.428 179 M HA 0.082 4.561 4.480 -0.002 0.000 0.239 179 M C 0.207 176.500 176.300 -0.012 0.000 1.121 179 M CA 0.512 55.756 55.300 -0.094 0.000 1.019 179 M CB 0.291 32.870 32.600 -0.036 0.000 1.485 179 M HN -0.155 nan 8.290 nan 0.000 0.484 180 T N 0.917 115.485 114.554 0.025 0.000 2.882 180 T HA 0.575 4.924 4.350 -0.002 0.000 0.287 180 T C 0.756 175.480 174.700 0.040 0.000 0.992 180 T CA 0.487 62.634 62.100 0.079 0.000 1.076 180 T CB 1.580 70.483 68.868 0.057 0.000 0.961 180 T HN 0.633 nan 8.240 nan 0.000 0.490 181 G N 1.588 110.445 108.800 0.095 0.000 2.584 181 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.229 181 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.229 181 G C -0.681 174.323 174.900 0.174 0.000 1.320 181 G CA -0.474 44.703 45.100 0.128 0.000 0.891 181 G HN 0.801 nan 8.290 nan 0.000 0.573 182 Y N 1.591 121.953 120.300 0.102 0.000 2.568 182 Y HA 0.469 5.018 4.550 -0.002 0.000 0.338 182 Y C 0.840 176.774 175.900 0.057 0.000 1.245 182 Y CA 0.020 58.273 58.100 0.256 0.000 1.667 182 Y CB -0.160 38.453 38.460 0.256 0.000 1.568 182 Y HN 1.144 nan 8.280 nan 0.000 0.471 183 V N 1.536 121.115 119.914 -0.557 0.000 2.686 183 V HA 0.732 4.851 4.120 -0.002 0.000 0.306 183 V C 0.576 175.495 176.094 -1.959 0.000 1.065 183 V CA -0.360 61.326 62.300 -1.023 0.000 0.894 183 V CB 1.079 32.611 31.823 -0.484 0.000 1.004 183 V HN 0.532 nan 8.190 nan 0.000 0.424 184 A N 2.890 124.614 122.820 -1.826 0.000 2.076 184 A HA -0.076 4.243 4.320 -0.002 0.000 0.220 184 A C 2.077 179.345 177.584 -0.528 0.000 1.160 184 A CA 2.373 53.697 52.037 -1.188 0.000 0.653 184 A CB -0.889 17.860 19.000 -0.419 0.000 0.801 184 A HN 1.620 nan 8.150 nan 0.000 0.455 185 T N -3.201 111.025 114.554 -0.547 0.000 2.977 185 T HA -0.090 4.259 4.350 -0.002 0.000 0.271 185 T C 1.711 176.198 174.700 -0.354 0.000 1.105 185 T CA 1.425 63.278 62.100 -0.411 0.000 1.116 185 T CB -0.143 68.442 68.868 -0.471 0.000 0.878 185 T HN 0.531 nan 8.240 nan 0.000 0.509 186 R N -1.539 118.721 120.500 -0.401 0.000 2.394 186 R HA 0.177 4.516 4.340 -0.002 0.000 0.220 186 R C 1.234 177.488 176.300 -0.076 0.000 0.887 186 R CA -0.233 55.708 56.100 -0.264 0.000 1.034 186 R CB 0.222 30.317 30.300 -0.342 0.000 1.179 186 R HN 0.360 nan 8.270 nan 0.000 0.561 187 W N 0.080 121.274 121.300 -0.177 0.000 2.525 187 W HA -0.072 4.588 4.660 -0.001 0.000 0.259 187 W C 0.580 176.861 176.519 -0.397 0.000 1.253 187 W CA 0.555 57.697 57.345 -0.338 0.000 1.262 187 W CB -0.447 28.669 29.460 -0.573 0.000 1.122 187 W HN 0.157 nan 8.180 nan 0.000 0.607 188 Y N -0.315 120.142 120.300 0.260 0.000 2.458 188 Y HA 0.226 4.775 4.550 -0.002 0.000 0.256 188 Y C 1.226 177.295 175.900 0.282 0.000 1.159 188 Y CA -0.321 57.930 58.100 0.252 0.000 1.261 188 Y CB -0.206 38.331 38.460 0.128 0.000 1.119 188 Y HN -0.426 nan 8.280 nan 0.000 0.524 189 R N 1.536 122.178 120.500 0.237 0.000 2.390 189 R HA 0.456 4.795 4.340 -0.002 0.000 0.291 189 R C 0.272 176.517 176.300 -0.090 0.000 1.070 189 R CA -0.217 55.921 56.100 0.063 0.000 1.014 189 R CB 0.699 30.947 30.300 -0.086 0.000 1.007 189 R HN 0.149 nan 8.270 nan 0.000 0.466 190 A N 5.518 128.192 122.820 -0.242 0.000 2.498 190 A HA 0.163 4.482 4.320 -0.002 0.000 0.239 190 A C -1.059 176.029 177.584 -0.826 0.000 1.068 190 A CA -1.041 50.497 52.037 -0.832 0.000 0.766 190 A CB 0.028 18.774 19.000 -0.423 0.000 1.003 190 A HN 0.498 nan 8.150 nan 0.000 0.497 191 P HA -0.237 nan 4.420 nan 0.000 0.218 191 P C 1.047 177.600 177.300 -1.245 0.000 1.148 191 P CA 1.667 64.129 63.100 -1.062 0.000 0.822 191 P CB 0.058 31.056 31.700 -1.171 0.000 0.784 192 E N 0.248 119.844 120.200 -1.008 0.000 2.204 192 E HA -0.147 4.202 4.350 -0.002 0.000 0.194 192 E C 2.150 178.510 176.600 -0.400 0.000 0.989 192 E CA 0.783 56.787 56.400 -0.660 0.000 0.824 192 E CB -1.083 28.567 29.700 -0.083 0.000 0.756 192 E HN 0.329 nan 8.360 nan 0.000 0.477 193 I N -0.237 120.089 120.570 -0.406 0.000 2.585 193 I HA -0.055 4.114 4.170 -0.002 0.000 0.254 193 I C 2.701 178.648 176.117 -0.284 0.000 1.129 193 I CA 0.308 61.410 61.300 -0.329 0.000 1.455 193 I CB 0.024 37.741 38.000 -0.471 0.000 1.111 193 I HN 0.030 nan 8.210 nan 0.000 0.433 194 M N 0.438 119.829 119.600 -0.349 0.000 2.108 194 M HA -0.198 4.281 4.480 -0.002 0.000 0.261 194 M C 1.199 177.426 176.300 -0.123 0.000 1.066 194 M CA 1.962 57.113 55.300 -0.248 0.000 1.107 194 M CB 0.076 32.484 32.600 -0.320 0.000 1.356 194 M HN 0.243 nan 8.290 nan 0.000 0.406 195 L N -0.451 120.602 121.223 -0.283 0.000 2.857 195 L HA 0.244 4.583 4.340 -0.002 0.000 0.249 195 L C -0.241 176.611 176.870 -0.031 0.000 1.172 195 L CA -0.303 54.452 54.840 -0.141 0.000 0.980 195 L CB -0.379 41.581 42.059 -0.164 0.000 1.299 195 L HN 0.360 nan 8.230 nan 0.000 0.535 196 N N -0.468 118.194 118.700 -0.064 0.000 2.688 196 N HA -0.244 4.495 4.740 -0.002 0.000 0.258 196 N C 0.401 176.044 175.510 0.221 0.000 1.016 196 N CA 0.253 53.344 53.050 0.068 0.000 0.747 196 N CB -0.575 37.955 38.487 0.071 0.000 0.895 196 N HN 0.414 nan 8.380 nan 0.000 0.543 197 W N -0.014 121.304 121.300 0.030 0.000 2.418 197 W HA 0.149 4.808 4.660 -0.002 0.000 0.292 197 W C 1.363 177.908 176.519 0.044 0.000 1.213 197 W CA 0.806 58.168 57.345 0.028 0.000 1.283 197 W CB -0.289 29.175 29.460 0.008 0.000 1.119 197 W HN 0.408 nan 8.180 nan 0.000 0.542 198 M N -2.934 116.843 119.600 0.296 0.000 3.012 198 M HA 0.252 4.731 4.480 -0.002 0.000 0.272 198 M C -0.537 175.888 176.300 0.208 0.000 1.187 198 M CA -0.910 54.521 55.300 0.218 0.000 0.813 198 M CB 1.958 34.683 32.600 0.210 0.000 1.626 198 M HN -0.229 nan 8.290 nan 0.000 0.507 199 H N 2.450 121.559 119.070 0.064 0.000 3.091 199 H HA 0.200 4.755 4.556 -0.002 0.000 0.289 199 H C -1.603 173.713 175.328 -0.019 0.000 0.995 199 H CA 0.855 56.886 56.048 -0.029 0.000 1.461 199 H CB 0.041 29.761 29.762 -0.070 0.000 1.510 199 H HN 0.607 nan 8.280 nan 0.000 0.546 200 Y N 4.070 124.295 120.300 -0.125 0.000 2.392 200 Y HA 0.342 4.891 4.550 -0.002 0.000 0.323 200 Y C -0.358 175.522 175.900 -0.033 0.000 1.291 200 Y CA -1.042 57.034 58.100 -0.040 0.000 1.345 200 Y CB 0.665 39.081 38.460 -0.073 0.000 1.320 200 Y HN 0.672 nan 8.280 nan 0.000 0.518 201 N N -1.448 117.377 118.700 0.209 0.000 3.387 201 N HA 0.134 4.873 4.740 -0.002 0.000 0.322 201 N C 0.296 175.884 175.510 0.130 0.000 1.588 201 N CA -0.459 52.660 53.050 0.115 0.000 0.778 201 N CB 0.248 38.776 38.487 0.068 0.000 1.883 201 N HN 0.759 nan 8.380 nan 0.000 0.628 202 Q N -0.937 118.840 119.800 -0.039 0.000 2.297 202 Q HA -0.185 4.154 4.340 -0.002 0.000 0.208 202 Q C 0.814 176.722 176.000 -0.154 0.000 0.981 202 Q CA 2.262 57.900 55.803 -0.275 0.000 0.876 202 Q CB -0.889 27.420 28.738 -0.716 0.000 0.921 202 Q HN 0.809 nan 8.270 nan 0.000 0.446 203 T N -0.763 113.789 114.554 -0.004 0.000 2.897 203 T HA -0.142 4.207 4.350 -0.002 0.000 0.271 203 T C 1.945 176.737 174.700 0.152 0.000 1.084 203 T CA 1.367 63.523 62.100 0.094 0.000 1.123 203 T CB -0.879 68.055 68.868 0.109 0.000 0.865 203 T HN 0.391 nan 8.240 nan 0.000 0.496 204 V N 0.412 120.406 119.914 0.133 0.000 2.469 204 V HA -0.164 3.955 4.120 -0.002 0.000 0.251 204 V C 2.103 178.313 176.094 0.193 0.000 1.064 204 V CA 2.075 64.448 62.300 0.121 0.000 1.066 204 V CB -0.871 30.958 31.823 0.009 0.000 0.667 204 V HN 0.267 nan 8.190 nan 0.000 0.461 205 D N 0.589 121.113 120.400 0.207 0.000 2.178 205 D HA -0.050 4.589 4.640 -0.002 0.000 0.202 205 D C 2.181 178.616 176.300 0.226 0.000 0.974 205 D CA 1.315 55.459 54.000 0.240 0.000 0.841 205 D CB -0.105 40.913 40.800 0.363 0.000 0.953 205 D HN 0.429 nan 8.370 nan 0.000 0.478 206 I N 0.449 121.166 120.570 0.245 0.000 2.286 206 I HA -0.213 3.956 4.170 -0.002 0.000 0.248 206 I C 2.355 178.596 176.117 0.207 0.000 1.115 206 I CA 0.642 62.061 61.300 0.198 0.000 1.392 206 I CB -1.084 37.029 38.000 0.189 0.000 1.065 206 I HN 0.277 nan 8.210 nan 0.000 0.418 207 W N 2.209 123.571 121.300 0.103 0.000 2.318 207 W HA -0.266 4.393 4.660 -0.002 0.000 0.313 207 W C 2.541 179.142 176.519 0.136 0.000 1.221 207 W CA 2.075 59.491 57.345 0.119 0.000 1.266 207 W CB -0.303 29.212 29.460 0.091 0.000 1.150 207 W HN 0.122 nan 8.180 nan 0.000 0.496 208 S N 0.765 116.666 115.700 0.335 0.000 2.370 208 S HA -0.203 4.266 4.470 -0.002 0.000 0.226 208 S C 1.824 176.492 174.600 0.113 0.000 1.033 208 S CA 1.740 60.090 58.200 0.250 0.000 1.011 208 S CB -0.872 62.443 63.200 0.193 0.000 0.852 208 S HN 0.149 nan 8.310 nan 0.000 0.457 209 V N 1.834 121.784 119.914 0.060 0.000 2.343 209 V HA -0.147 3.972 4.120 -0.002 0.000 0.247 209 V C 2.679 178.757 176.094 -0.028 0.000 1.051 209 V CA 1.913 64.219 62.300 0.010 0.000 1.036 209 V CB -1.589 30.242 31.823 0.013 0.000 0.654 209 V HN 0.591 nan 8.190 nan 0.000 0.451 210 G N -1.017 107.735 108.800 -0.080 0.000 2.476 210 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.218 210 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.218 210 G C 1.740 176.518 174.900 -0.205 0.000 1.164 210 G CA 1.451 46.443 45.100 -0.179 0.000 0.768 210 G HN 0.543 nan 8.290 nan 0.000 0.560 211 C N 0.178 119.373 119.300 -0.174 0.000 2.429 211 C HA 0.067 4.526 4.460 -0.002 0.000 0.277 211 C C 2.846 177.870 174.990 0.057 0.000 1.262 211 C CA 0.482 59.446 59.018 -0.091 0.000 1.733 211 C CB -0.975 26.824 27.740 0.098 0.000 2.010 211 C HN 0.474 nan 8.230 nan 0.000 0.483 212 I N 0.360 121.001 120.570 0.120 0.000 2.202 212 I HA -0.254 3.915 4.170 -0.002 0.000 0.242 212 I C 2.658 178.782 176.117 0.012 0.000 1.091 212 I CA 1.616 62.971 61.300 0.092 0.000 1.368 212 I CB -0.445 37.552 38.000 -0.005 0.000 1.058 212 I HN 0.356 nan 8.210 nan 0.000 0.410 213 M N 0.788 120.367 119.600 -0.034 0.000 2.108 213 M HA -0.233 4.246 4.480 -0.002 0.000 0.261 213 M C 2.414 178.636 176.300 -0.131 0.000 1.066 213 M CA 2.222 57.486 55.300 -0.060 0.000 1.107 213 M CB -0.140 32.414 32.600 -0.077 0.000 1.356 213 M HN 0.261 nan 8.290 nan 0.000 0.406 214 A N 0.065 122.762 122.820 -0.204 0.000 1.908 214 A HA -0.268 4.051 4.320 -0.002 0.000 0.218 214 A C 1.958 179.485 177.584 -0.095 0.000 1.181 214 A CA 2.188 54.065 52.037 -0.266 0.000 0.627 214 A CB -0.997 17.841 19.000 -0.270 0.000 0.818 214 A HN 0.742 nan 8.150 nan 0.000 0.445 215 E N -0.160 120.012 120.200 -0.047 0.000 2.106 215 E HA -0.136 4.213 4.350 -0.002 0.000 0.192 215 E C 1.919 178.529 176.600 0.017 0.000 0.984 215 E CA 0.967 57.369 56.400 0.004 0.000 0.806 215 E CB -0.209 29.535 29.700 0.074 0.000 0.750 215 E HN 0.638 nan 8.360 nan 0.000 0.458 216 L N 0.462 121.694 121.223 0.014 0.000 2.083 216 L HA -0.189 4.150 4.340 -0.002 0.000 0.209 216 L C 2.533 179.424 176.870 0.036 0.000 1.083 216 L CA 0.840 55.699 54.840 0.031 0.000 0.752 216 L CB -0.400 41.684 42.059 0.042 0.000 0.899 216 L HN 0.272 nan 8.230 nan 0.000 0.433 217 L N -0.540 120.687 121.223 0.006 0.000 2.072 217 L HA -0.132 4.207 4.340 -0.002 0.000 0.205 217 L C 2.593 179.486 176.870 0.038 0.000 1.079 217 L CA 1.817 56.664 54.840 0.012 0.000 0.752 217 L CB -0.541 41.478 42.059 -0.066 0.000 0.906 217 L HN 0.425 nan 8.230 nan 0.000 0.436 218 T N -4.912 109.667 114.554 0.042 0.000 3.022 218 T HA 0.238 4.587 4.350 -0.002 0.000 0.250 218 T C 1.475 176.190 174.700 0.024 0.000 1.060 218 T CA 0.460 62.589 62.100 0.049 0.000 1.013 218 T CB 0.740 69.645 68.868 0.060 0.000 0.982 218 T HN 0.394 nan 8.240 nan 0.000 0.508 219 G N 1.935 110.749 108.800 0.023 0.000 2.168 219 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.263 219 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.263 219 G C 0.018 174.922 174.900 0.007 0.000 0.977 219 G CA -0.042 45.070 45.100 0.020 0.000 0.659 219 G HN 0.654 nan 8.290 nan 0.000 0.533 220 R N 0.181 120.673 120.500 -0.013 0.000 2.686 220 R HA 0.550 4.889 4.340 -0.002 0.000 0.286 220 R C 0.081 176.327 176.300 -0.088 0.000 0.969 220 R CA -0.477 55.592 56.100 -0.052 0.000 0.898 220 R CB 0.754 31.008 30.300 -0.076 0.000 1.183 220 R HN 0.142 nan 8.270 nan 0.000 0.456 221 T N 2.865 117.332 114.554 -0.145 0.000 2.934 221 T HA -0.029 4.320 4.350 -0.002 0.000 0.306 221 T C 1.588 176.088 174.700 -0.333 0.000 1.042 221 T CA -0.119 61.831 62.100 -0.250 0.000 1.145 221 T CB 0.512 69.073 68.868 -0.511 0.000 0.982 221 T HN 0.362 nan 8.240 nan 0.000 0.544 222 L N 2.522 123.507 121.223 -0.396 0.000 2.044 222 L HA 0.250 4.589 4.340 -0.002 0.000 0.205 222 L C 0.335 176.773 176.870 -0.720 0.000 1.075 222 L CA 1.706 56.181 54.840 -0.609 0.000 0.747 222 L CB -0.159 41.398 42.059 -0.837 0.000 0.903 222 L HN 0.629 nan 8.230 nan 0.000 0.435 223 F N 1.234 121.018 119.950 -0.276 0.000 2.523 223 F HA 0.409 4.935 4.527 -0.002 0.000 0.322 223 F C -2.125 173.377 175.800 -0.497 0.000 1.361 223 F CA -2.637 55.216 58.000 -0.246 0.000 1.151 223 F CB 0.097 39.059 39.000 -0.063 0.000 1.391 223 F HN 0.028 nan 8.300 nan 0.000 0.566 224 P HA 0.158 nan 4.420 nan 0.000 0.231 224 P C 0.611 177.671 177.300 -0.400 0.000 1.811 224 P CA 0.241 62.575 63.100 -1.278 0.000 1.051 224 P CB 0.410 31.453 31.700 -1.094 0.000 1.951 225 G N 1.477 110.234 108.800 -0.072 0.000 2.491 225 G HA2 0.209 4.168 3.960 -0.002 0.000 0.242 225 G HA3 0.209 4.168 3.960 -0.002 0.000 0.242 225 G C 1.142 176.301 174.900 0.431 0.000 1.266 225 G CA -0.207 45.013 45.100 0.200 0.000 0.844 225 G HN 0.339 nan 8.290 nan 0.000 0.571 226 T N -1.975 112.784 114.554 0.342 0.000 3.088 226 T HA 0.198 4.547 4.350 -0.002 0.000 0.259 226 T C 0.341 175.201 174.700 0.266 0.000 1.122 226 T CA 0.813 63.134 62.100 0.368 0.000 1.095 226 T CB -0.316 68.662 68.868 0.183 0.000 0.930 226 T HN 0.787 nan 8.240 nan 0.000 0.508 227 D N -1.816 118.714 120.400 0.218 0.000 2.764 227 D HA 0.207 4.846 4.640 -0.002 0.000 0.293 227 D C -0.007 176.406 176.300 0.188 0.000 1.287 227 D CA -0.844 53.275 54.000 0.198 0.000 0.768 227 D CB 0.090 40.988 40.800 0.163 0.000 1.288 227 D HN -0.099 nan 8.370 nan 0.000 0.426 228 H N -0.397 118.693 119.070 0.033 0.000 2.352 228 H HA -0.028 4.527 4.556 -0.002 0.000 0.299 228 H C 1.623 176.964 175.328 0.022 0.000 1.097 228 H CA 1.882 57.935 56.048 0.007 0.000 1.311 228 H CB -0.071 29.674 29.762 -0.027 0.000 1.377 228 H HN 0.345 nan 8.280 nan 0.000 0.504 229 I N 0.287 120.961 120.570 0.173 0.000 2.202 229 I HA -0.198 3.971 4.170 -0.002 0.000 0.242 229 I C 2.150 178.343 176.117 0.125 0.000 1.091 229 I CA 1.452 62.833 61.300 0.135 0.000 1.368 229 I CB -1.056 36.996 38.000 0.086 0.000 1.058 229 I HN 0.279 nan 8.210 nan 0.000 0.410 230 D N 0.556 121.024 120.400 0.113 0.000 2.149 230 D HA -0.274 4.365 4.640 -0.002 0.000 0.198 230 D C 2.258 178.611 176.300 0.088 0.000 0.990 230 D CA 1.411 55.471 54.000 0.099 0.000 0.839 230 D CB 0.013 40.876 40.800 0.106 0.000 0.948 230 D HN 0.343 nan 8.370 nan 0.000 0.460 231 Q N -0.786 119.068 119.800 0.089 0.000 2.079 231 Q HA -0.136 4.203 4.340 -0.002 0.000 0.200 231 Q C 2.180 178.165 176.000 -0.025 0.000 0.974 231 Q CA 0.960 56.793 55.803 0.049 0.000 0.840 231 Q CB -0.182 28.584 28.738 0.047 0.000 0.898 231 Q HN 0.390 nan 8.270 nan 0.000 0.430 232 L N 1.000 122.225 121.223 0.003 0.000 2.046 232 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 232 L C 1.853 178.729 176.870 0.009 0.000 1.077 232 L CA 1.874 56.707 54.840 -0.011 0.000 0.747 232 L CB -0.237 41.880 42.059 0.097 0.000 0.896 232 L HN 0.051 nan 8.230 nan 0.000 0.432 233 K N -0.653 119.779 120.400 0.052 0.000 2.057 233 K HA -0.135 4.184 4.320 -0.002 0.000 0.207 233 K C 2.078 178.701 176.600 0.039 0.000 1.049 233 K CA 1.702 58.021 56.287 0.054 0.000 0.931 233 K CB -0.344 32.197 32.500 0.068 0.000 0.714 233 K HN 0.345 nan 8.250 nan 0.000 0.440 234 L N 0.749 121.996 121.223 0.041 0.000 2.042 234 L HA -0.220 4.119 4.340 -0.002 0.000 0.210 234 L C 2.345 179.254 176.870 0.064 0.000 1.076 234 L CA 1.265 56.161 54.840 0.094 0.000 0.749 234 L CB -0.470 41.689 42.059 0.167 0.000 0.893 234 L HN 0.184 nan 8.230 nan 0.000 0.432 235 I N -0.337 120.098 120.570 -0.225 0.000 2.142 235 I HA -0.309 3.860 4.170 -0.002 0.000 0.240 235 I C 2.364 178.462 176.117 -0.031 0.000 1.078 235 I CA 1.372 62.396 61.300 -0.461 0.000 1.343 235 I CB -0.239 37.427 38.000 -0.557 0.000 1.046 235 I HN 0.192 nan 8.210 nan 0.000 0.405 236 L N 0.118 121.348 121.223 0.012 0.000 2.201 236 L HA -0.157 4.182 4.340 -0.002 0.000 0.212 236 L C 2.659 179.584 176.870 0.092 0.000 1.105 236 L CA 0.748 55.635 54.840 0.077 0.000 0.775 236 L CB -0.567 41.531 42.059 0.065 0.000 0.913 236 L HN 0.212 nan 8.230 nan 0.000 0.440 237 R N 0.841 121.389 120.500 0.081 0.000 2.081 237 R HA -0.192 4.147 4.340 -0.002 0.000 0.235 237 R C 2.096 178.457 176.300 0.102 0.000 1.131 237 R CA 1.580 57.726 56.100 0.077 0.000 0.960 237 R CB -0.500 29.837 30.300 0.060 0.000 0.856 237 R HN 0.210 nan 8.270 nan 0.000 0.436 238 L N -0.215 121.100 121.223 0.154 0.000 2.068 238 L HA 0.009 4.348 4.340 -0.002 0.000 0.204 238 L C 1.907 178.947 176.870 0.284 0.000 1.076 238 L CA 1.768 56.706 54.840 0.164 0.000 0.753 238 L CB -0.155 42.034 42.059 0.216 0.000 0.910 238 L HN 0.202 nan 8.230 nan 0.000 0.439 239 V N -2.608 117.500 119.914 0.323 0.000 3.621 239 V HA 0.618 4.737 4.120 -0.002 0.000 0.285 239 V C 0.845 177.085 176.094 0.244 0.000 1.346 239 V CA 0.171 62.693 62.300 0.370 0.000 1.104 239 V CB -0.967 31.127 31.823 0.451 0.000 0.913 239 V HN 0.639 nan 8.190 nan 0.000 0.432 240 G N 0.952 109.861 108.800 0.181 0.000 2.662 240 G HA2 0.006 3.965 3.960 -0.002 0.000 0.686 240 G HA3 0.006 3.965 3.960 -0.002 0.000 0.686 240 G C -0.283 174.678 174.900 0.101 0.000 1.271 240 G CA -0.315 44.858 45.100 0.122 0.000 0.816 240 G HN 1.256 nan 8.290 nan 0.000 0.608 241 T N 0.239 114.829 114.554 0.060 0.000 2.868 241 T HA 0.659 5.008 4.350 -0.002 0.000 0.292 241 T C -2.017 172.695 174.700 0.020 0.000 1.028 241 T CA -0.844 61.275 62.100 0.032 0.000 1.059 241 T CB 1.351 70.215 68.868 -0.006 0.000 0.991 241 T HN 0.566 nan 8.240 nan 0.000 0.531 242 P HA 0.363 nan 4.420 nan 0.000 0.269 242 P C 0.428 177.701 177.300 -0.045 0.000 1.215 242 P CA -0.223 62.853 63.100 -0.040 0.000 0.780 242 P CB 0.177 31.790 31.700 -0.146 0.000 0.898 243 G N 0.067 108.849 108.800 -0.029 0.000 2.557 243 G HA2 0.426 4.385 3.960 -0.002 0.000 0.302 243 G HA3 0.426 4.385 3.960 -0.002 0.000 0.302 243 G C 1.013 175.887 174.900 -0.044 0.000 1.311 243 G CA -0.137 44.947 45.100 -0.027 0.000 1.030 243 G HN 0.449 nan 8.290 nan 0.000 0.509 244 A N -0.873 121.925 122.820 -0.035 0.000 1.917 244 A HA -0.117 4.202 4.320 -0.002 0.000 0.219 244 A C 2.043 179.603 177.584 -0.040 0.000 1.182 244 A CA 2.300 54.313 52.037 -0.040 0.000 0.633 244 A CB -0.640 18.343 19.000 -0.028 0.000 0.819 244 A HN 0.765 nan 8.150 nan 0.000 0.448 245 E N -0.860 119.324 120.200 -0.026 0.000 2.051 245 E HA -0.189 4.160 4.350 -0.002 0.000 0.192 245 E C 1.914 178.498 176.600 -0.026 0.000 0.991 245 E CA 1.324 57.714 56.400 -0.018 0.000 0.799 245 E CB -0.177 29.521 29.700 -0.003 0.000 0.748 245 E HN 0.456 nan 8.360 nan 0.000 0.449 246 L N 0.912 122.116 121.223 -0.032 0.000 2.093 246 L HA -0.101 4.238 4.340 -0.002 0.000 0.208 246 L C 2.067 178.869 176.870 -0.113 0.000 1.085 246 L CA 1.362 56.173 54.840 -0.048 0.000 0.755 246 L CB -0.370 41.667 42.059 -0.037 0.000 0.904 246 L HN 0.215 nan 8.230 nan 0.000 0.435 247 L N -0.469 120.673 121.223 -0.134 0.000 2.079 247 L HA -0.254 4.085 4.340 -0.002 0.000 0.210 247 L C 2.597 179.388 176.870 -0.131 0.000 1.081 247 L CA 1.519 56.253 54.840 -0.177 0.000 0.752 247 L CB -0.619 41.353 42.059 -0.145 0.000 0.896 247 L HN 0.301 nan 8.230 nan 0.000 0.433 248 K N 0.458 120.809 120.400 -0.082 0.000 2.280 248 K HA -0.170 4.149 4.320 -0.002 0.000 0.202 248 K C 1.780 178.353 176.600 -0.045 0.000 1.047 248 K CA 1.162 57.416 56.287 -0.055 0.000 0.942 248 K CB 0.157 32.635 32.500 -0.036 0.000 0.739 248 K HN 0.310 nan 8.250 nan 0.000 0.457 249 K N 0.013 120.385 120.400 -0.047 0.000 2.379 249 K HA 0.122 4.441 4.320 -0.002 0.000 0.194 249 K C 0.289 176.884 176.600 -0.008 0.000 1.031 249 K CA 0.093 56.372 56.287 -0.013 0.000 1.037 249 K CB 0.417 32.925 32.500 0.013 0.000 0.824 249 K HN 0.082 nan 8.250 nan 0.000 0.516 250 I N 2.777 123.300 120.570 -0.079 0.000 2.372 250 I HA -0.070 4.099 4.170 -0.002 0.000 0.298 250 I C 1.341 177.434 176.117 -0.041 0.000 1.137 250 I CA -0.171 61.073 61.300 -0.093 0.000 1.314 250 I CB 0.777 38.566 38.000 -0.351 0.000 1.444 250 I HN 0.129 nan 8.210 nan 0.000 0.541 251 S N 2.259 117.973 115.700 0.023 0.000 2.447 251 S HA -0.114 4.355 4.470 -0.002 0.000 0.233 251 S C 1.245 175.863 174.600 0.030 0.000 1.006 251 S CA 0.103 58.319 58.200 0.026 0.000 0.957 251 S CB -0.100 63.128 63.200 0.047 0.000 0.773 251 S HN 0.600 nan 8.310 nan 0.000 0.507 252 S N 1.724 117.455 115.700 0.052 0.000 2.437 252 S HA 0.126 4.595 4.470 -0.002 0.000 0.304 252 S C 0.969 175.582 174.600 0.022 0.000 1.167 252 S CA -0.429 57.806 58.200 0.058 0.000 1.106 252 S CB 0.285 63.554 63.200 0.115 0.000 1.099 252 S HN 0.577 nan 8.310 nan 0.000 0.524 253 E N 3.779 123.988 120.200 0.016 0.000 2.118 253 E HA -0.148 4.201 4.350 -0.002 0.000 0.195 253 E C 1.904 178.512 176.600 0.013 0.000 0.992 253 E CA 1.458 57.860 56.400 0.003 0.000 0.804 253 E CB -0.220 29.483 29.700 0.006 0.000 0.741 253 E HN 0.739 nan 8.360 nan 0.000 0.458 254 S N -0.610 115.110 115.700 0.033 0.000 2.355 254 S HA -0.119 4.351 4.470 -0.002 0.000 0.222 254 S C 1.992 176.643 174.600 0.085 0.000 1.031 254 S CA 1.205 59.436 58.200 0.051 0.000 0.993 254 S CB -0.265 62.963 63.200 0.048 0.000 0.859 254 S HN 0.443 nan 8.310 nan 0.000 0.453 255 A N 1.600 124.480 122.820 0.100 0.000 1.930 255 A HA -0.025 4.294 4.320 -0.002 0.000 0.217 255 A C 2.183 179.772 177.584 0.008 0.000 1.175 255 A CA 1.440 53.568 52.037 0.152 0.000 0.627 255 A CB -0.654 18.510 19.000 0.273 0.000 0.815 255 A HN 0.590 nan 8.150 nan 0.000 0.443 256 R N -0.140 120.313 120.500 -0.080 0.000 2.070 256 R HA -0.213 4.126 4.340 -0.002 0.000 0.233 256 R C 2.178 178.422 176.300 -0.093 0.000 1.137 256 R CA 1.951 57.957 56.100 -0.156 0.000 0.945 256 R CB -0.468 29.757 30.300 -0.125 0.000 0.845 256 R HN 0.632 nan 8.270 nan 0.000 0.430 257 N N -0.515 118.171 118.700 -0.024 0.000 2.094 257 N HA -0.270 4.469 4.740 -0.002 0.000 0.191 257 N C 1.756 177.287 175.510 0.034 0.000 1.023 257 N CA 1.794 54.846 53.050 0.003 0.000 0.857 257 N CB -0.342 38.163 38.487 0.030 0.000 1.013 257 N HN 0.323 nan 8.380 nan 0.000 0.426 258 Y N 0.686 120.972 120.300 -0.022 0.000 2.163 258 Y HA -0.016 4.533 4.550 -0.002 0.000 0.288 258 Y C 2.160 178.055 175.900 -0.007 0.000 1.136 258 Y CA 1.326 59.425 58.100 -0.001 0.000 1.147 258 Y CB -0.672 37.805 38.460 0.030 0.000 0.987 258 Y HN 0.211 nan 8.280 nan 0.000 0.509 259 I N 0.337 120.731 120.570 -0.294 0.000 2.361 259 I HA -0.337 3.833 4.170 -0.002 0.000 0.251 259 I C 1.976 177.899 176.117 -0.323 0.000 1.133 259 I CA 1.568 62.630 61.300 -0.397 0.000 1.413 259 I CB -0.261 37.602 38.000 -0.228 0.000 1.073 259 I HN 0.384 nan 8.210 nan 0.000 0.424 260 Q N -0.206 119.457 119.800 -0.228 0.000 2.437 260 Q HA -0.146 4.193 4.340 -0.002 0.000 0.210 260 Q C 2.041 177.951 176.000 -0.150 0.000 0.972 260 Q CA 1.406 57.113 55.803 -0.160 0.000 0.903 260 Q CB -0.123 28.547 28.738 -0.112 0.000 0.967 260 Q HN 0.628 nan 8.270 nan 0.000 0.486 261 S N -0.473 115.105 115.700 -0.204 0.000 2.562 261 S HA 0.071 4.540 4.470 -0.002 0.000 0.221 261 S C 0.716 175.223 174.600 -0.153 0.000 0.975 261 S CA -0.171 57.942 58.200 -0.145 0.000 0.918 261 S CB -0.018 63.123 63.200 -0.098 0.000 0.772 261 S HN 0.155 nan 8.310 nan 0.000 0.531 262 L N 2.345 123.442 121.223 -0.211 0.000 2.350 262 L HA 0.340 4.679 4.340 -0.002 0.000 0.275 262 L C 0.202 177.020 176.870 -0.087 0.000 1.099 262 L CA -0.671 54.078 54.840 -0.152 0.000 0.808 262 L CB 0.833 42.781 42.059 -0.185 0.000 1.149 262 L HN 0.024 nan 8.230 nan 0.000 0.442 263 T N 2.340 116.864 114.554 -0.050 0.000 2.902 263 T HA 0.025 4.374 4.350 -0.002 0.000 0.301 263 T C 0.163 174.847 174.700 -0.026 0.000 1.012 263 T CA -0.232 61.850 62.100 -0.031 0.000 1.151 263 T CB 0.150 69.009 68.868 -0.015 0.000 0.946 263 T HN 0.465 nan 8.240 nan 0.000 0.542 264 Q N 2.825 122.611 119.800 -0.023 0.000 2.330 264 Q HA 0.304 4.644 4.340 -0.002 0.000 0.279 264 Q C -0.263 175.738 176.000 0.001 0.000 1.024 264 Q CA 0.459 56.253 55.803 -0.015 0.000 0.900 264 Q CB 0.458 29.187 28.738 -0.015 0.000 1.221 264 Q HN 0.568 nan 8.270 nan 0.000 0.396 265 M N 3.877 123.484 119.600 0.012 0.000 2.393 265 M HA 0.449 4.928 4.480 -0.002 0.000 0.299 265 M C -2.361 173.963 176.300 0.039 0.000 1.103 265 M CA -2.120 53.196 55.300 0.026 0.000 0.910 265 M CB 2.418 35.038 32.600 0.033 0.000 1.659 265 M HN 0.424 nan 8.290 nan 0.000 0.445 266 P HA 0.182 nan 4.420 nan 0.000 0.279 266 P C -1.350 176.002 177.300 0.086 0.000 1.252 266 P CA -0.551 62.583 63.100 0.056 0.000 0.811 266 P CB 0.806 32.533 31.700 0.046 0.000 1.035 267 K N 2.122 122.586 120.400 0.106 0.000 2.448 267 K HA 0.113 4.432 4.320 -0.002 0.000 0.278 267 K C 0.229 176.930 176.600 0.169 0.000 1.009 267 K CA 0.024 56.409 56.287 0.165 0.000 0.995 267 K CB 0.089 32.683 32.500 0.157 0.000 0.917 267 K HN 0.408 nan 8.250 nan 0.000 0.481 268 M N 2.410 122.141 119.600 0.218 0.000 2.197 268 M HA 0.054 4.533 4.480 -0.002 0.000 0.305 268 M C 0.600 177.062 176.300 0.270 0.000 1.162 268 M CA -0.495 54.909 55.300 0.172 0.000 1.099 268 M CB 0.432 33.083 32.600 0.085 0.000 1.430 268 M HN 0.567 nan 8.290 nan 0.000 0.481 269 N N 0.741 119.549 118.700 0.179 0.000 2.401 269 N HA 0.067 4.806 4.740 -0.002 0.000 0.255 269 N C -0.056 175.611 175.510 0.262 0.000 1.110 269 N CA 0.199 53.369 53.050 0.201 0.000 0.949 269 N CB 0.330 38.878 38.487 0.103 0.000 1.110 269 N HN 0.439 nan 8.380 nan 0.000 0.490 270 F N 2.490 122.477 119.950 0.062 0.000 2.234 270 F HA -0.019 4.507 4.527 -0.002 0.000 0.299 270 F C 2.281 178.172 175.800 0.152 0.000 1.087 270 F CA 0.921 59.007 58.000 0.143 0.000 1.340 270 F CB -0.706 38.425 39.000 0.218 0.000 1.031 270 F HN 0.672 nan 8.300 nan 0.000 0.500 271 A N -0.086 122.896 122.820 0.269 0.000 2.019 271 A HA -0.190 4.129 4.320 -0.002 0.000 0.219 271 A C 2.049 179.682 177.584 0.082 0.000 1.164 271 A CA 1.848 53.980 52.037 0.158 0.000 0.644 271 A CB -0.592 18.472 19.000 0.107 0.000 0.805 271 A HN 0.334 nan 8.150 nan 0.000 0.449 272 N N -0.484 118.242 118.700 0.044 0.000 2.415 272 N HA -0.009 4.730 4.740 -0.002 0.000 0.176 272 N C 1.520 176.956 175.510 -0.123 0.000 1.042 272 N CA 1.196 54.232 53.050 -0.024 0.000 0.902 272 N CB 0.023 38.500 38.487 -0.017 0.000 0.986 272 N HN 0.288 nan 8.380 nan 0.000 0.447 273 V N -0.119 119.655 119.914 -0.233 0.000 2.535 273 V HA 0.007 4.126 4.120 -0.002 0.000 0.246 273 V C 0.275 175.928 176.094 -0.735 0.000 1.045 273 V CA 1.035 62.985 62.300 -0.584 0.000 1.058 273 V CB -0.317 30.950 31.823 -0.927 0.000 0.689 273 V HN 0.056 nan 8.190 nan 0.000 0.461 274 F N 0.364 120.260 119.950 -0.091 0.000 2.550 274 F HA 0.494 5.020 4.527 -0.002 0.000 0.312 274 F C 0.325 176.100 175.800 -0.041 0.000 1.256 274 F CA -0.962 56.990 58.000 -0.079 0.000 1.182 274 F CB -0.532 38.419 39.000 -0.083 0.000 1.383 274 F HN -0.060 nan 8.300 nan 0.000 0.541 275 I N 1.275 121.875 120.570 0.049 0.000 2.752 275 I HA 0.146 4.315 4.170 -0.002 0.000 0.289 275 I C 1.492 177.642 176.117 0.055 0.000 1.197 275 I CA 0.998 62.321 61.300 0.038 0.000 1.432 275 I CB 0.012 38.011 38.000 -0.001 0.000 1.359 275 I HN 0.739 nan 8.210 nan 0.000 0.571 276 G N 3.957 112.787 108.800 0.051 0.000 2.205 276 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.261 276 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.261 276 G C 0.449 175.381 174.900 0.053 0.000 0.980 276 G CA 0.033 45.161 45.100 0.045 0.000 0.632 276 G HN 1.038 nan 8.290 nan 0.000 0.533 277 A N 0.015 122.875 122.820 0.067 0.000 2.386 277 A HA 0.548 4.867 4.320 -0.002 0.000 0.248 277 A C 0.756 178.360 177.584 0.033 0.000 1.082 277 A CA 0.419 52.484 52.037 0.047 0.000 0.789 277 A CB 0.213 19.232 19.000 0.031 0.000 1.025 277 A HN 0.823 nan 8.150 nan 0.000 0.490 278 N N 1.560 120.280 118.700 0.034 0.000 2.301 278 N HA 0.002 4.741 4.740 -0.002 0.000 0.267 278 N C -1.750 173.761 175.510 0.001 0.000 1.304 278 N CA -1.246 51.836 53.050 0.053 0.000 0.851 278 N CB 0.679 39.262 38.487 0.160 0.000 1.070 278 N HN 0.195 nan 8.380 nan 0.000 0.483 279 P HA -0.135 nan 4.420 nan 0.000 0.217 279 P C 1.384 178.681 177.300 -0.004 0.000 1.148 279 P CA 1.153 64.262 63.100 0.015 0.000 0.828 279 P CB 0.238 31.956 31.700 0.030 0.000 0.783 280 L N -1.519 119.717 121.223 0.021 0.000 2.156 280 L HA -0.101 4.238 4.340 -0.002 0.000 0.208 280 L C 2.460 179.192 176.870 -0.230 0.000 1.095 280 L CA 1.318 56.196 54.840 0.063 0.000 0.770 280 L CB -1.129 41.064 42.059 0.222 0.000 0.914 280 L HN -0.043 nan 8.230 nan 0.000 0.439 281 A N -0.042 122.453 122.820 -0.541 0.000 1.898 281 A HA -0.126 4.193 4.320 -0.002 0.000 0.216 281 A C 2.342 179.622 177.584 -0.506 0.000 1.181 281 A CA 1.599 53.057 52.037 -0.965 0.000 0.620 281 A CB -0.732 17.761 19.000 -0.845 0.000 0.819 281 A HN 0.175 nan 8.150 nan 0.000 0.442 282 V N 0.516 120.273 119.914 -0.262 0.000 2.295 282 V HA -0.285 3.834 4.120 -0.002 0.000 0.246 282 V C 2.332 178.369 176.094 -0.095 0.000 1.049 282 V CA 2.533 64.772 62.300 -0.102 0.000 1.024 282 V CB -0.900 30.953 31.823 0.049 0.000 0.648 282 V HN 0.737 nan 8.190 nan 0.000 0.447 283 D N -0.240 120.106 120.400 -0.089 0.000 2.104 283 D HA -0.208 4.431 4.640 -0.002 0.000 0.194 283 D C 1.990 178.214 176.300 -0.127 0.000 0.994 283 D CA 1.454 55.429 54.000 -0.042 0.000 0.830 283 D CB -0.141 40.718 40.800 0.097 0.000 0.959 283 D HN 0.266 nan 8.370 nan 0.000 0.452 284 L N 0.187 121.209 121.223 -0.336 0.000 2.017 284 L HA -0.074 4.265 4.340 -0.002 0.000 0.208 284 L C 2.208 178.913 176.870 -0.275 0.000 1.073 284 L CA 1.464 56.001 54.840 -0.505 0.000 0.745 284 L CB -0.586 40.995 42.059 -0.797 0.000 0.894 284 L HN 0.212 nan 8.230 nan 0.000 0.432 285 L N -0.601 120.465 121.223 -0.262 0.000 2.043 285 L HA -0.281 4.058 4.340 -0.002 0.000 0.212 285 L C 2.552 179.399 176.870 -0.039 0.000 1.075 285 L CA 1.746 56.499 54.840 -0.144 0.000 0.752 285 L CB -0.670 41.275 42.059 -0.190 0.000 0.891 285 L HN 0.393 nan 8.230 nan 0.000 0.432 286 E N -0.005 120.083 120.200 -0.187 0.000 2.118 286 E HA -0.245 4.104 4.350 -0.002 0.000 0.195 286 E C 2.120 178.597 176.600 -0.205 0.000 0.992 286 E CA 1.187 57.308 56.400 -0.464 0.000 0.804 286 E CB -0.020 29.358 29.700 -0.536 0.000 0.741 286 E HN 0.491 nan 8.360 nan 0.000 0.458 287 K N -0.139 120.191 120.400 -0.117 0.000 2.228 287 K HA 0.027 4.346 4.320 -0.002 0.000 0.202 287 K C 2.019 178.624 176.600 0.008 0.000 1.051 287 K CA 0.750 57.015 56.287 -0.037 0.000 0.960 287 K CB 0.113 32.608 32.500 -0.008 0.000 0.743 287 K HN 0.108 nan 8.250 nan 0.000 0.458 288 M N 0.294 119.885 119.600 -0.014 0.000 2.248 288 M HA -0.001 4.478 4.480 -0.002 0.000 0.265 288 M C 0.816 177.144 176.300 0.047 0.000 1.079 288 M CA 1.032 56.344 55.300 0.021 0.000 1.150 288 M CB 0.121 32.701 32.600 -0.032 0.000 1.366 288 M HN -0.020 nan 8.290 nan 0.000 0.433 289 L N 1.769 122.988 121.223 -0.005 0.000 2.727 289 L HA 0.195 4.534 4.340 -0.002 0.000 0.237 289 L C -0.762 176.274 176.870 0.276 0.000 1.370 289 L CA -0.610 54.199 54.840 -0.053 0.000 1.248 289 L CB -0.524 41.496 42.059 -0.065 0.000 1.556 289 L HN -0.037 nan 8.230 nan 0.000 0.420 290 V N 0.829 120.963 119.914 0.366 0.000 2.427 290 V HA 0.090 4.209 4.120 -0.002 0.000 0.286 290 V C 0.989 177.354 176.094 0.450 0.000 1.034 290 V CA -0.508 61.991 62.300 0.332 0.000 0.893 290 V CB 2.368 34.307 31.823 0.193 0.000 0.982 290 V HN 0.362 nan 8.190 nan 0.000 0.452 291 L N 2.770 124.210 121.223 0.361 0.000 2.017 291 L HA 0.029 4.368 4.340 -0.002 0.000 0.208 291 L C 1.284 178.279 176.870 0.209 0.000 1.073 291 L CA 1.677 56.677 54.840 0.266 0.000 0.745 291 L CB -0.303 41.899 42.059 0.238 0.000 0.894 291 L HN 0.776 nan 8.230 nan 0.000 0.432 292 D N -1.161 119.350 120.400 0.185 0.000 2.346 292 D HA -0.009 4.630 4.640 -0.002 0.000 0.260 292 D C 1.433 177.826 176.300 0.155 0.000 1.252 292 D CA 0.731 54.822 54.000 0.152 0.000 0.895 292 D CB 1.166 42.031 40.800 0.108 0.000 1.097 292 D HN 0.363 nan 8.370 nan 0.000 0.489 293 S N 2.872 118.663 115.700 0.152 0.000 2.419 293 S HA -0.205 4.264 4.470 -0.002 0.000 0.233 293 S C 1.299 175.974 174.600 0.125 0.000 1.016 293 S CA 0.745 59.033 58.200 0.147 0.000 0.974 293 S CB 0.014 63.294 63.200 0.134 0.000 0.786 293 S HN 0.417 nan 8.310 nan 0.000 0.492 294 D N 1.926 122.390 120.400 0.106 0.000 2.221 294 D HA -0.033 4.606 4.640 -0.002 0.000 0.204 294 D C 1.675 178.025 176.300 0.083 0.000 0.982 294 D CA 1.153 55.203 54.000 0.084 0.000 0.857 294 D CB -0.127 40.715 40.800 0.069 0.000 0.934 294 D HN 0.601 nan 8.370 nan 0.000 0.475 295 K N -0.372 120.085 120.400 0.095 0.000 2.358 295 K HA 0.171 4.490 4.320 -0.002 0.000 0.197 295 K C 0.464 177.123 176.600 0.099 0.000 1.025 295 K CA -0.266 56.074 56.287 0.087 0.000 1.104 295 K CB 0.873 33.422 32.500 0.081 0.000 0.855 295 K HN -0.036 nan 8.250 nan 0.000 0.531 296 R N 1.357 121.931 120.500 0.124 0.000 2.679 296 R HA 0.113 4.452 4.340 -0.002 0.000 0.268 296 R C 0.302 176.668 176.300 0.109 0.000 1.044 296 R CA -0.164 56.016 56.100 0.133 0.000 1.105 296 R CB 0.447 30.852 30.300 0.175 0.000 0.989 296 R HN 0.104 nan 8.270 nan 0.000 0.447 297 I N 1.663 122.292 120.570 0.098 0.000 2.813 297 I HA -0.073 4.096 4.170 -0.002 0.000 0.287 297 I C 0.749 176.930 176.117 0.107 0.000 1.196 297 I CA 0.490 61.847 61.300 0.095 0.000 1.421 297 I CB 0.777 38.829 38.000 0.086 0.000 1.365 297 I HN 0.729 nan 8.210 nan 0.000 0.591 298 T N 3.726 118.343 114.554 0.105 0.000 2.847 298 T HA 0.485 4.834 4.350 -0.002 0.000 0.279 298 T C 1.077 175.841 174.700 0.106 0.000 0.984 298 T CA -0.191 61.980 62.100 0.118 0.000 0.988 298 T CB 1.575 70.508 68.868 0.109 0.000 1.040 298 T HN 0.723 nan 8.240 nan 0.000 0.528 299 A N 1.216 124.103 122.820 0.111 0.000 1.883 299 A HA 0.122 4.441 4.320 -0.002 0.000 0.217 299 A C 2.674 180.267 177.584 0.016 0.000 1.186 299 A CA 2.108 54.162 52.037 0.028 0.000 0.624 299 A CB -1.636 17.331 19.000 -0.055 0.000 0.822 299 A HN 1.308 nan 8.150 nan 0.000 0.444 300 A N -0.952 121.894 122.820 0.043 0.000 1.908 300 A HA -0.230 4.089 4.320 -0.002 0.000 0.218 300 A C 2.124 179.744 177.584 0.060 0.000 1.181 300 A CA 1.840 53.907 52.037 0.049 0.000 0.627 300 A CB -0.581 18.458 19.000 0.065 0.000 0.818 300 A HN 0.660 nan 8.150 nan 0.000 0.445 301 Q N -0.714 119.131 119.800 0.075 0.000 2.079 301 Q HA -0.047 4.292 4.340 -0.002 0.000 0.200 301 Q C 2.409 178.478 176.000 0.115 0.000 0.974 301 Q CA 1.445 57.301 55.803 0.088 0.000 0.840 301 Q CB -0.397 28.396 28.738 0.093 0.000 0.898 301 Q HN 0.685 nan 8.270 nan 0.000 0.430 302 A N 0.698 123.592 122.820 0.123 0.000 1.933 302 A HA -0.163 4.156 4.320 -0.002 0.000 0.218 302 A C 2.024 179.770 177.584 0.269 0.000 1.175 302 A CA 1.083 53.242 52.037 0.203 0.000 0.628 302 A CB -0.685 18.414 19.000 0.165 0.000 0.814 302 A HN 0.319 nan 8.150 nan 0.000 0.444 303 L N -0.996 120.270 121.223 0.072 0.000 2.187 303 L HA -0.186 4.153 4.340 -0.002 0.000 0.213 303 L C 2.721 179.479 176.870 -0.186 0.000 1.100 303 L CA 0.993 55.833 54.840 -0.001 0.000 0.765 303 L CB -0.332 41.723 42.059 -0.007 0.000 0.904 303 L HN 0.441 nan 8.230 nan 0.000 0.437 304 A N -2.300 120.397 122.820 -0.204 0.000 2.251 304 A HA -0.052 4.267 4.320 -0.002 0.000 0.209 304 A C 0.941 178.524 177.584 -0.002 0.000 1.187 304 A CA -0.109 51.725 52.037 -0.339 0.000 0.823 304 A CB -0.603 18.341 19.000 -0.095 0.000 0.846 304 A HN 0.320 nan 8.150 nan 0.000 0.486 305 H N 0.081 119.210 119.070 0.098 0.000 2.732 305 H HA 0.321 4.876 4.556 -0.002 0.000 0.351 305 H C 1.440 176.838 175.328 0.116 0.000 1.090 305 H CA 0.419 56.541 56.048 0.123 0.000 1.431 305 H CB 1.215 31.073 29.762 0.159 0.000 1.447 305 H HN 0.154 nan 8.280 nan 0.000 0.582 306 A N 5.117 127.803 122.820 -0.222 0.000 2.042 306 A HA -0.283 4.036 4.320 -0.002 0.000 0.222 306 A C 1.986 179.638 177.584 0.113 0.000 1.167 306 A CA 1.586 53.589 52.037 -0.058 0.000 0.649 306 A CB -0.997 17.908 19.000 -0.158 0.000 0.809 306 A HN 0.860 nan 8.150 nan 0.000 0.457 307 Y N -0.455 119.917 120.300 0.121 0.000 2.256 307 Y HA -0.173 4.376 4.550 -0.002 0.000 0.288 307 Y C 1.018 176.745 175.900 -0.287 0.000 1.155 307 Y CA 1.414 59.406 58.100 -0.179 0.000 1.203 307 Y CB -0.325 37.861 38.460 -0.456 0.000 0.980 307 Y HN 0.313 nan 8.280 nan 0.000 0.530 308 F N -0.814 119.263 119.950 0.211 0.000 2.645 308 F HA 0.370 4.896 4.527 -0.002 0.000 0.300 308 F C 1.988 177.849 175.800 0.102 0.000 1.115 308 F CA 0.130 58.215 58.000 0.141 0.000 1.355 308 F CB -1.016 38.154 39.000 0.284 0.000 1.026 308 F HN 0.063 nan 8.300 nan 0.000 0.536 309 A N 0.379 123.298 122.820 0.165 0.000 1.958 309 A HA -0.326 3.993 4.320 -0.002 0.000 0.221 309 A C 2.270 179.855 177.584 0.002 0.000 1.178 309 A CA 2.215 54.318 52.037 0.109 0.000 0.642 309 A CB -0.709 18.317 19.000 0.043 0.000 0.816 309 A HN 0.500 nan 8.150 nan 0.000 0.453 310 Q N -2.424 117.306 119.800 -0.117 0.000 2.297 310 Q HA -0.126 4.213 4.340 -0.002 0.000 0.204 310 Q C 1.183 176.834 176.000 -0.582 0.000 0.962 310 Q CA 1.711 57.294 55.803 -0.367 0.000 0.879 310 Q CB -0.185 28.248 28.738 -0.508 0.000 0.947 310 Q HN 0.772 nan 8.270 nan 0.000 0.462 311 Y N -2.009 118.187 120.300 -0.173 0.000 2.526 311 Y HA 0.186 4.735 4.550 -0.002 0.000 0.265 311 Y C 0.275 175.885 175.900 -0.483 0.000 1.092 311 Y CA -0.357 57.483 58.100 -0.432 0.000 1.277 311 Y CB 0.068 38.053 38.460 -0.792 0.000 1.228 311 Y HN 0.157 nan 8.280 nan 0.000 0.507 312 H N 1.963 120.933 119.070 -0.166 0.000 3.046 312 H HA 0.191 4.746 4.556 -0.002 0.000 0.303 312 H C -1.020 174.359 175.328 0.085 0.000 1.002 312 H CA 0.041 56.137 56.048 0.079 0.000 1.460 312 H CB 0.234 30.128 29.762 0.219 0.000 1.493 312 H HN 0.063 nan 8.280 nan 0.000 0.559 313 D N 6.795 127.125 120.400 -0.116 0.000 2.476 313 D HA 0.175 4.814 4.640 -0.002 0.000 0.251 313 D C -2.116 174.096 176.300 -0.147 0.000 1.291 313 D CA -2.204 51.672 54.000 -0.205 0.000 0.939 313 D CB 1.689 42.470 40.800 -0.032 0.000 1.221 313 D HN 0.366 nan 8.370 nan 0.000 0.567 314 P HA -0.030 nan 4.420 nan 0.000 0.226 314 P C 0.309 177.631 177.300 0.036 0.000 1.153 314 P CA 0.596 63.694 63.100 -0.004 0.000 0.777 314 P CB 0.571 32.283 31.700 0.020 0.000 0.794 315 D N -0.413 119.989 120.400 0.003 0.000 2.349 315 D HA -0.031 4.608 4.640 -0.002 0.000 0.224 315 D C 0.342 176.662 176.300 0.034 0.000 1.029 315 D CA 0.803 54.816 54.000 0.022 0.000 0.879 315 D CB -0.056 40.748 40.800 0.006 0.000 0.906 315 D HN 0.177 nan 8.370 nan 0.000 0.528 316 D N 0.513 120.944 120.400 0.052 0.000 2.908 316 D HA 0.073 4.712 4.640 -0.002 0.000 0.361 316 D C -0.693 175.666 176.300 0.099 0.000 1.416 316 D CA -0.148 53.889 54.000 0.061 0.000 0.796 316 D CB 0.036 40.869 40.800 0.054 0.000 1.185 316 D HN -0.084 nan 8.370 nan 0.000 0.451 317 E N 1.486 121.754 120.200 0.114 0.000 3.651 317 E HA 0.229 4.578 4.350 -0.002 0.000 0.220 317 E C -2.346 174.348 176.600 0.156 0.000 1.222 317 E CA -1.524 54.962 56.400 0.142 0.000 1.114 317 E CB 1.409 31.206 29.700 0.161 0.000 1.278 317 E HN 0.218 nan 8.360 nan 0.000 0.412 318 P HA -0.001 nan 4.420 nan 0.000 0.270 318 P C 0.097 177.578 177.300 0.302 0.000 1.223 318 P CA -0.236 62.985 63.100 0.201 0.000 0.785 318 P CB 0.884 32.687 31.700 0.172 0.000 0.923 319 V N -2.122 117.926 119.914 0.223 0.000 3.093 319 V HA 0.869 4.988 4.120 -0.002 0.000 0.320 319 V C 0.005 176.143 176.094 0.073 0.000 1.093 319 V CA -1.235 61.142 62.300 0.128 0.000 1.016 319 V CB 0.861 32.712 31.823 0.047 0.000 1.096 319 V HN 0.727 nan 8.190 nan 0.000 0.452 320 A N 0.609 123.250 122.820 -0.299 0.000 2.279 320 A HA 0.609 4.928 4.320 -0.002 0.000 0.303 320 A C -0.141 177.403 177.584 -0.066 0.000 1.108 320 A CA -0.615 51.161 52.037 -0.435 0.000 0.830 320 A CB 0.136 18.559 19.000 -0.962 0.000 1.106 320 A HN 0.952 nan 8.150 nan 0.000 0.493 321 D N 0.895 121.306 120.400 0.019 0.000 2.360 321 D HA 0.327 4.966 4.640 -0.002 0.000 0.242 321 D C -2.323 174.126 176.300 0.248 0.000 1.184 321 D CA -0.760 53.313 54.000 0.121 0.000 0.930 321 D CB -0.112 40.762 40.800 0.123 0.000 1.161 321 D HN 0.190 nan 8.370 nan 0.000 0.447 322 P HA -0.069 nan 4.420 nan 0.000 0.264 322 P C -0.752 176.643 177.300 0.158 0.000 1.183 322 P CA 0.379 63.565 63.100 0.143 0.000 0.763 322 P CB 0.047 31.803 31.700 0.093 0.000 0.807 323 Y N 3.312 123.513 120.300 -0.165 0.000 2.402 323 Y HA 0.239 4.788 4.550 -0.002 0.000 0.332 323 Y C -0.114 175.703 175.900 -0.138 0.000 0.960 323 Y CA -1.183 56.665 58.100 -0.419 0.000 1.228 323 Y CB 0.410 38.493 38.460 -0.629 0.000 1.120 323 Y HN 0.265 nan 8.280 nan 0.000 0.491 324 D N 5.746 125.939 120.400 -0.345 0.000 2.346 324 D HA 0.009 4.648 4.640 -0.002 0.000 0.260 324 D C -0.084 175.939 176.300 -0.460 0.000 1.252 324 D CA 0.256 54.094 54.000 -0.269 0.000 0.895 324 D CB 0.788 41.532 40.800 -0.093 0.000 1.097 324 D HN 0.847 nan 8.370 nan 0.000 0.489 325 Q N 1.483 121.044 119.800 -0.398 0.000 2.206 325 Q HA 0.104 4.443 4.340 -0.002 0.000 0.265 325 Q C 0.995 176.822 176.000 -0.289 0.000 0.866 325 Q CA -0.410 55.160 55.803 -0.389 0.000 1.073 325 Q CB 0.182 28.658 28.738 -0.437 0.000 1.165 325 Q HN 0.313 nan 8.270 nan 0.000 0.465 326 S N 0.684 116.337 115.700 -0.078 0.000 2.442 326 S HA -0.206 4.263 4.470 -0.002 0.000 0.236 326 S C 1.660 176.281 174.600 0.034 0.000 1.007 326 S CA 0.806 58.987 58.200 -0.031 0.000 0.965 326 S CB -0.897 62.313 63.200 0.017 0.000 0.773 326 S HN 0.650 nan 8.310 nan 0.000 0.504 327 F N 2.192 122.212 119.950 0.117 0.000 2.307 327 F HA 0.089 4.615 4.527 -0.002 0.000 0.301 327 F C 2.011 177.990 175.800 0.298 0.000 1.076 327 F CA 1.048 59.213 58.000 0.274 0.000 1.383 327 F CB -0.660 38.629 39.000 0.482 0.000 1.055 327 F HN 0.072 nan 8.300 nan 0.000 0.526 328 E N 0.853 120.664 120.200 -0.648 0.000 2.204 328 E HA -0.121 4.228 4.350 -0.002 0.000 0.195 328 E C 2.071 178.606 176.600 -0.109 0.000 0.990 328 E CA 1.293 57.407 56.400 -0.478 0.000 0.821 328 E CB -0.375 28.998 29.700 -0.545 0.000 0.750 328 E HN 0.513 nan 8.360 nan 0.000 0.477 329 S N 0.145 115.817 115.700 -0.047 0.000 2.593 329 S HA 0.065 4.534 4.470 -0.002 0.000 0.217 329 S C 0.898 175.545 174.600 0.078 0.000 0.966 329 S CA -0.159 58.047 58.200 0.011 0.000 0.914 329 S CB 0.443 63.640 63.200 -0.005 0.000 0.776 329 S HN 0.080 nan 8.310 nan 0.000 0.523 330 R N 2.136 122.736 120.500 0.166 0.000 2.349 330 R HA 0.211 4.550 4.340 -0.002 0.000 0.299 330 R C -1.428 175.032 176.300 0.266 0.000 1.027 330 R CA -0.383 55.824 56.100 0.178 0.000 0.958 330 R CB 0.490 30.896 30.300 0.177 0.000 1.047 330 R HN 0.066 nan 8.270 nan 0.000 0.468 331 D N 5.208 125.693 120.400 0.142 0.000 2.274 331 D HA 0.308 4.947 4.640 -0.002 0.000 0.239 331 D C -0.313 176.001 176.300 0.024 0.000 1.104 331 D CA -0.062 54.032 54.000 0.158 0.000 0.840 331 D CB 1.367 42.221 40.800 0.090 0.000 1.100 331 D HN 0.311 nan 8.370 nan 0.000 0.477 332 L N 1.261 122.488 121.223 0.008 0.000 2.350 332 L HA 0.473 4.812 4.340 -0.002 0.000 0.260 332 L C 0.123 176.903 176.870 -0.149 0.000 1.015 332 L CA -1.071 53.556 54.840 -0.356 0.000 0.821 332 L CB 1.899 43.231 42.059 -1.211 0.000 1.370 332 L HN 0.058 nan 8.230 nan 0.000 0.416 333 L N 1.220 122.339 121.223 -0.173 0.000 2.466 333 L HA 0.237 4.576 4.340 -0.002 0.000 0.257 333 L C 1.401 178.287 176.870 0.026 0.000 1.189 333 L CA -0.271 54.547 54.840 -0.036 0.000 0.813 333 L CB 0.653 42.678 42.059 -0.056 0.000 1.118 333 L HN 0.604 nan 8.230 nan 0.000 0.471 334 I N 0.295 120.932 120.570 0.113 0.000 2.151 334 I HA -0.299 3.870 4.170 -0.002 0.000 0.243 334 I C 1.782 177.933 176.117 0.056 0.000 1.080 334 I CA 1.401 62.802 61.300 0.168 0.000 1.339 334 I CB -0.242 37.834 38.000 0.126 0.000 1.039 334 I HN 0.733 nan 8.210 nan 0.000 0.409 335 D N 0.564 120.946 120.400 -0.031 0.000 2.218 335 D HA -0.148 4.491 4.640 -0.002 0.000 0.204 335 D C 2.105 178.329 176.300 -0.126 0.000 0.976 335 D CA 1.073 55.017 54.000 -0.094 0.000 0.853 335 D CB -0.050 40.699 40.800 -0.084 0.000 0.939 335 D HN 0.480 nan 8.370 nan 0.000 0.481 336 E N -0.441 119.660 120.200 -0.165 0.000 2.046 336 E HA -0.135 4.214 4.350 -0.002 0.000 0.190 336 E C 2.168 178.583 176.600 -0.307 0.000 0.982 336 E CA 0.583 56.819 56.400 -0.273 0.000 0.800 336 E CB -0.220 29.253 29.700 -0.379 0.000 0.756 336 E HN 0.391 nan 8.360 nan 0.000 0.449 337 W N 1.922 123.149 121.300 -0.122 0.000 2.338 337 W HA -0.180 4.479 4.660 -0.002 0.000 0.304 337 W C 2.500 178.951 176.519 -0.113 0.000 1.212 337 W CA 0.850 58.112 57.345 -0.138 0.000 1.264 337 W CB -0.004 29.453 29.460 -0.005 0.000 1.142 337 W HN 0.024 nan 8.180 nan 0.000 0.512 338 K N 0.173 120.563 120.400 -0.017 0.000 2.025 338 K HA -0.206 4.113 4.320 -0.002 0.000 0.207 338 K C 2.346 178.907 176.600 -0.065 0.000 1.049 338 K CA 1.720 57.764 56.287 -0.405 0.000 0.933 338 K CB -0.534 31.509 32.500 -0.761 0.000 0.714 338 K HN 0.001 nan 8.250 nan 0.000 0.438 339 S N 0.774 116.441 115.700 -0.055 0.000 2.368 339 S HA -0.093 4.376 4.470 -0.002 0.000 0.225 339 S C 1.994 176.643 174.600 0.082 0.000 1.030 339 S CA 1.029 59.241 58.200 0.019 0.000 0.999 339 S CB -0.279 62.895 63.200 -0.044 0.000 0.844 339 S HN 0.346 nan 8.310 nan 0.000 0.459 340 L N 0.738 121.965 121.223 0.008 0.000 2.012 340 L HA -0.136 4.203 4.340 -0.002 0.000 0.210 340 L C 2.797 179.839 176.870 0.287 0.000 1.073 340 L CA 1.828 56.686 54.840 0.029 0.000 0.748 340 L CB -1.350 40.501 42.059 -0.348 0.000 0.891 340 L HN 0.365 nan 8.230 nan 0.000 0.431 341 T N -1.407 113.393 114.554 0.409 0.000 2.746 341 T HA -0.256 4.093 4.350 -0.002 0.000 0.267 341 T C 1.714 176.638 174.700 0.374 0.000 1.039 341 T CA 1.433 63.871 62.100 0.564 0.000 1.142 341 T CB -0.417 68.896 68.868 0.742 0.000 0.866 341 T HN 0.257 nan 8.240 nan 0.000 0.444 342 Y N 2.405 122.765 120.300 0.100 0.000 2.128 342 Y HA -0.184 4.365 4.550 -0.001 0.000 0.284 342 Y C 2.077 177.889 175.900 -0.147 0.000 1.154 342 Y CA 1.363 59.267 58.100 -0.327 0.000 1.149 342 Y CB -0.571 37.635 38.460 -0.423 0.000 0.976 342 Y HN 0.148 nan 8.280 nan 0.000 0.505 343 D N -0.057 120.338 120.400 -0.008 0.000 2.123 343 D HA -0.174 4.465 4.640 -0.002 0.000 0.196 343 D C 2.021 178.301 176.300 -0.034 0.000 0.992 343 D CA 1.561 55.530 54.000 -0.051 0.000 0.833 343 D CB -0.173 40.654 40.800 0.046 0.000 0.954 343 D HN 0.449 nan 8.370 nan 0.000 0.455 344 E N 0.240 120.476 120.200 0.060 0.000 2.150 344 E HA -0.066 4.283 4.350 -0.002 0.000 0.193 344 E C 2.400 179.029 176.600 0.048 0.000 0.985 344 E CA 0.174 56.623 56.400 0.081 0.000 0.814 344 E CB -0.093 29.674 29.700 0.111 0.000 0.752 344 E HN 0.178 nan 8.360 nan 0.000 0.466 345 V N 1.751 121.647 119.914 -0.030 0.000 2.307 345 V HA -0.209 3.910 4.120 -0.002 0.000 0.245 345 V C 2.332 178.391 176.094 -0.058 0.000 1.045 345 V CA 1.089 63.358 62.300 -0.051 0.000 1.024 345 V CB -0.291 31.460 31.823 -0.120 0.000 0.651 345 V HN 0.214 nan 8.190 nan 0.000 0.449 346 I N 1.201 121.626 120.570 -0.242 0.000 2.394 346 I HA -0.132 4.037 4.170 -0.002 0.000 0.251 346 I C 2.371 178.455 176.117 -0.055 0.000 1.136 346 I CA 2.091 63.256 61.300 -0.224 0.000 1.425 346 I CB -1.111 36.620 38.000 -0.448 0.000 1.079 346 I HN 0.534 nan 8.210 nan 0.000 0.425 347 S N -0.284 115.411 115.700 -0.009 0.000 2.575 347 S HA 0.017 4.486 4.470 -0.002 0.000 0.215 347 S C 0.639 175.287 174.600 0.080 0.000 0.966 347 S CA -0.490 57.726 58.200 0.027 0.000 0.911 347 S CB -0.793 62.423 63.200 0.027 0.000 0.780 347 S HN 0.206 nan 8.310 nan 0.000 0.514 348 F N 2.980 122.923 119.950 -0.012 0.000 2.578 348 F HA 0.430 4.956 4.527 -0.002 0.000 0.376 348 F C -0.362 175.449 175.800 0.019 0.000 1.085 348 F CA -0.540 57.468 58.000 0.014 0.000 1.260 348 F CB 0.638 39.654 39.000 0.028 0.000 1.095 348 F HN -0.069 nan 8.300 nan 0.000 0.573 349 V N 8.445 127.835 119.914 -0.872 0.000 2.409 349 V HA 0.357 4.476 4.120 -0.002 0.000 0.291 349 V C -1.960 173.462 176.094 -1.119 0.000 1.020 349 V CA -1.712 60.159 62.300 -0.714 0.000 0.848 349 V CB 1.407 33.034 31.823 -0.327 0.000 0.990 349 V HN 0.688 nan 8.190 nan 0.000 0.430 350 P HA 0.277 nan 4.420 nan 0.000 0.272 350 P C -2.538 174.638 177.300 -0.208 0.000 1.230 350 P CA -1.251 61.603 63.100 -0.409 0.000 0.788 350 P CB -0.263 31.404 31.700 -0.054 0.000 0.949 351 P HA 0.196 nan 4.420 nan 0.000 0.270 351 P C -2.259 175.025 177.300 -0.027 0.000 1.223 351 P CA -0.808 62.276 63.100 -0.027 0.000 0.785 351 P CB -1.096 30.626 31.700 0.036 0.000 0.923 352 P HA 0.000 nan 4.420 nan 0.000 0.216 352 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 352 P CB 0.000 31.691 31.700 -0.014 0.000 0.726