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 2q49_1_D DATA FIRST_RESID 15 DATA SEQUENCE KDIRIGLLGA SGYTGAEIVR LLANHPHFQV TLMTADRKAG QSMESVFPHL DATA SEQUENCE RAQKLPTLVS VKDADFSTVD AVFCCLPHGT TQEIIKELPT ALKIVDLSAD DATA SEQUENCE FRLRNIAEYE EWYGQPHKAV ELQKEVVYGL TEILREDIKK ARLVANPGCY DATA SEQUENCE PTTIQLPLVP LLKANLIKHE NIIIDAKSGV SGAGRGAKEA NLYSEIAEGI DATA SEQUENCE SSYGVTRHRH VPEIEQGLSD VAQSKVTVSF TPHLMPMIRG MQSTIYVEMA DATA SEQUENCE PGVRTEDLHQ QLKTSYEDEE FVKVLDEGVV PRTHNVRGSN YCHMSVFPDR DATA SEQUENCE IPGRAIIISV IDNLVKGASG QALQNLNIML GYPETTGLLH QPLFP 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 15 K HA 0.000 nan 4.320 nan 0.000 0.191 15 K C 0.000 176.699 176.600 0.164 0.000 0.988 15 K CA 0.000 56.387 56.287 0.166 0.000 0.838 15 K CB 0.000 32.580 32.500 0.132 0.000 1.064 16 D N 1.288 121.814 120.400 0.211 0.000 2.333 16 D HA 0.025 2.755 4.640 -3.182 0.000 0.208 16 D C 0.520 176.907 176.300 0.145 0.000 0.984 16 D CA 0.691 54.792 54.000 0.167 0.000 0.873 16 D CB 0.643 41.550 40.800 0.178 0.000 0.935 16 D HN 0.336 nan 8.370 nan 0.000 0.521 17 I N 2.300 122.978 120.570 0.180 0.000 2.301 17 I HA 0.156 2.417 4.170 -3.182 0.000 0.292 17 I C 0.480 176.591 176.117 -0.010 0.000 1.046 17 I CA -0.338 60.993 61.300 0.052 0.000 1.282 17 I CB 0.533 38.495 38.000 -0.063 0.000 1.409 17 I HN -0.370 nan 8.210 nan 0.000 0.484 18 R N 6.284 126.766 120.500 -0.031 0.000 2.234 18 R HA 0.504 2.935 4.340 -3.182 0.000 0.324 18 R C -0.432 175.827 176.300 -0.067 0.000 1.054 18 R CA -0.469 55.617 56.100 -0.024 0.000 0.912 18 R CB 1.227 31.525 30.300 -0.003 0.000 1.030 18 R HN 0.395 nan 8.270 nan 0.000 0.455 19 I N 1.829 122.374 120.570 -0.043 0.000 2.460 19 I HA 0.352 2.613 4.170 -3.182 0.000 0.298 19 I C 0.830 176.966 176.117 0.030 0.000 0.989 19 I CA -0.491 60.788 61.300 -0.036 0.000 1.173 19 I CB 1.686 39.697 38.000 0.018 0.000 1.338 19 I HN 0.676 nan 8.210 nan 0.000 0.456 20 G N 5.667 114.498 108.800 0.052 0.000 2.416 20 G HA2 0.567 2.618 3.960 -3.182 0.000 0.324 20 G HA3 0.567 2.618 3.960 -3.182 0.000 0.324 20 G C -1.451 173.539 174.900 0.149 0.000 1.194 20 G CA -0.343 44.814 45.100 0.095 0.000 0.922 20 G HN 0.412 nan 8.290 nan 0.000 0.467 21 L N 3.345 124.647 121.223 0.132 0.000 2.316 21 L HA 0.559 2.990 4.340 -3.182 0.000 0.280 21 L C -0.637 176.306 176.870 0.122 0.000 1.006 21 L CA -0.721 54.212 54.840 0.155 0.000 0.836 21 L CB 1.202 43.330 42.059 0.114 0.000 1.221 21 L HN 0.390 nan 8.230 nan 0.000 0.418 22 L N 6.448 127.755 121.223 0.141 0.000 2.270 22 L HA 0.663 3.094 4.340 -3.182 0.000 0.286 22 L C 0.663 177.593 176.870 0.100 0.000 1.059 22 L CA -0.483 54.429 54.840 0.120 0.000 0.839 22 L CB 0.750 42.896 42.059 0.145 0.000 1.221 22 L HN 0.919 nan 8.230 nan 0.000 0.431 23 G N 2.441 111.289 108.800 0.081 0.000 3.026 23 G HA2 -0.032 2.019 3.960 -3.182 0.000 0.252 23 G HA3 -0.032 2.019 3.960 -3.182 0.000 0.252 23 G C 0.319 175.270 174.900 0.084 0.000 1.070 23 G CA -0.145 45.000 45.100 0.074 0.000 1.183 23 G HN 0.819 nan 8.290 nan 0.000 0.571 24 A N 0.488 123.362 122.820 0.089 0.000 2.267 24 A HA 0.540 2.951 4.320 -3.182 0.000 0.213 24 A C 2.270 179.976 177.584 0.203 0.000 1.192 24 A CA 1.585 53.690 52.037 0.114 0.000 0.851 24 A CB -0.084 18.972 19.000 0.094 0.000 0.881 24 A HN 1.893 nan 8.150 nan 0.000 0.494 25 S N -0.775 115.028 115.700 0.172 0.000 2.603 25 S HA 0.336 2.896 4.470 -3.182 0.000 0.220 25 S C 1.018 175.786 174.600 0.281 0.000 0.967 25 S CA 0.280 58.600 58.200 0.200 0.000 0.920 25 S CB -0.233 62.981 63.200 0.023 0.000 0.773 25 S HN 0.545 nan 8.310 nan 0.000 0.529 26 G N -0.222 108.723 108.800 0.242 0.000 2.557 26 G HA2 0.488 2.539 3.960 -3.182 0.000 0.302 26 G HA3 0.488 2.539 3.960 -3.182 0.000 0.302 26 G C -0.045 175.001 174.900 0.244 0.000 1.311 26 G CA -0.734 44.458 45.100 0.154 0.000 1.030 26 G HN 0.162 nan 8.290 nan 0.000 0.509 27 Y N -0.140 120.240 120.300 0.134 0.000 2.373 27 Y HA -0.075 4.557 4.550 0.136 0.000 0.293 27 Y C 3.217 179.067 175.900 -0.085 0.000 1.129 27 Y CA 1.350 59.442 58.100 -0.014 0.000 1.226 27 Y CB -0.881 37.581 38.460 0.004 0.000 1.000 27 Y HN 0.554 nan 8.280 nan 0.000 0.549 28 T N -3.299 111.322 114.554 0.113 0.000 2.812 28 T HA -0.050 2.390 4.350 -3.182 0.000 0.264 28 T C 2.434 177.108 174.700 -0.044 0.000 1.042 28 T CA 1.155 63.264 62.100 0.015 0.000 1.140 28 T CB -1.018 67.867 68.868 0.028 0.000 0.870 28 T HN 0.287 nan 8.240 nan 0.000 0.445 29 G N 1.517 110.317 108.800 0.001 0.000 2.446 29 G HA2 -0.014 2.037 3.960 -3.182 0.000 0.217 29 G HA3 -0.014 2.037 3.960 -3.182 0.000 0.217 29 G C 1.962 176.809 174.900 -0.088 0.000 1.168 29 G CA 1.093 46.184 45.100 -0.015 0.000 0.771 29 G HN 0.772 nan 8.290 nan 0.000 0.551 30 A N 0.596 123.312 122.820 -0.174 0.000 1.883 30 A HA -0.051 2.360 4.320 -3.182 0.000 0.217 30 A C 2.253 179.711 177.584 -0.210 0.000 1.186 30 A CA 2.011 53.842 52.037 -0.344 0.000 0.624 30 A CB -0.373 18.145 19.000 -0.803 0.000 0.822 30 A HN 0.303 nan 8.150 nan 0.000 0.444 31 E N -0.098 119.991 120.200 -0.185 0.000 2.077 31 E HA -0.162 2.278 4.350 -3.182 0.000 0.193 31 E C 2.080 178.560 176.600 -0.200 0.000 0.989 31 E CA 0.938 57.229 56.400 -0.182 0.000 0.800 31 E CB -0.390 29.205 29.700 -0.174 0.000 0.746 31 E HN 0.558 nan 8.360 nan 0.000 0.452 32 I N 0.820 121.252 120.570 -0.230 0.000 2.127 32 I HA -0.238 2.023 4.170 -3.182 0.000 0.241 32 I C 2.572 178.577 176.117 -0.188 0.000 1.075 32 I CA 0.932 62.047 61.300 -0.309 0.000 1.334 32 I CB -1.272 36.493 38.000 -0.392 0.000 1.040 32 I HN -0.046 nan 8.210 nan 0.000 0.405 33 V N 0.983 120.818 119.914 -0.132 0.000 2.332 33 V HA -0.294 1.917 4.120 -3.182 0.000 0.248 33 V C 2.779 178.833 176.094 -0.067 0.000 1.055 33 V CA 2.109 64.362 62.300 -0.079 0.000 1.038 33 V CB -0.840 30.938 31.823 -0.075 0.000 0.651 33 V HN 0.418 nan 8.190 nan 0.000 0.450 34 R N -0.181 120.267 120.500 -0.087 0.000 2.070 34 R HA -0.152 2.278 4.340 -3.182 0.000 0.233 34 R C 2.350 178.624 176.300 -0.043 0.000 1.137 34 R CA 1.815 57.879 56.100 -0.060 0.000 0.945 34 R CB -0.360 29.895 30.300 -0.075 0.000 0.845 34 R HN 0.445 nan 8.270 nan 0.000 0.430 35 L N 0.749 121.915 121.223 -0.095 0.000 2.012 35 L HA -0.224 2.206 4.340 -3.182 0.000 0.210 35 L C 2.480 179.405 176.870 0.093 0.000 1.073 35 L CA 1.373 56.189 54.840 -0.039 0.000 0.748 35 L CB -0.424 41.569 42.059 -0.109 0.000 0.891 35 L HN 0.287 nan 8.230 nan 0.000 0.431 36 L N -0.690 120.558 121.223 0.041 0.000 2.275 36 L HA -0.136 2.294 4.340 -3.182 0.000 0.215 36 L C 2.847 179.777 176.870 0.100 0.000 1.119 36 L CA 0.596 55.492 54.840 0.093 0.000 0.790 36 L CB -0.803 41.291 42.059 0.058 0.000 0.919 36 L HN 0.248 nan 8.230 nan 0.000 0.443 37 A N 0.823 123.682 122.820 0.064 0.000 1.903 37 A HA -0.237 2.174 4.320 -3.182 0.000 0.219 37 A C 1.762 179.380 177.584 0.057 0.000 1.191 37 A CA 2.168 54.236 52.037 0.051 0.000 0.638 37 A CB -0.448 18.574 19.000 0.036 0.000 0.823 37 A HN 0.512 nan 8.150 nan 0.000 0.451 38 N N -0.962 117.782 118.700 0.073 0.000 2.238 38 N HA 0.030 2.861 4.740 -3.182 0.000 0.222 38 N C -0.160 175.344 175.510 -0.011 0.000 1.133 38 N CA -0.094 52.968 53.050 0.020 0.000 0.854 38 N CB -0.031 38.454 38.487 -0.003 0.000 1.041 38 N HN 0.594 nan 8.380 nan 0.000 0.510 39 H N 3.296 122.324 119.070 -0.070 0.000 2.848 39 H HA 0.083 2.729 4.556 -3.183 0.000 0.317 39 H C -1.369 173.825 175.328 -0.225 0.000 1.046 39 H CA -0.921 55.032 56.048 -0.158 0.000 1.470 39 H CB 1.609 31.290 29.762 -0.135 0.000 1.483 39 H HN 0.027 nan 8.280 nan 0.000 0.548 40 P HA -0.112 nan 4.420 nan 0.000 0.223 40 P C 0.508 177.502 177.300 -0.509 0.000 1.151 40 P CA 1.299 64.111 63.100 -0.481 0.000 0.787 40 P CB 0.595 31.881 31.700 -0.690 0.000 0.788 41 H N -2.760 116.347 119.070 0.062 0.000 3.046 41 H HA 0.260 2.906 4.556 -3.182 0.000 0.262 41 H C 0.172 175.672 175.328 0.287 0.000 1.044 41 H CA -0.238 55.849 56.048 0.064 0.000 1.209 41 H CB 0.252 29.891 29.762 -0.205 0.000 1.507 41 H HN 0.075 nan 8.280 nan 0.000 0.507 42 F N 1.861 121.849 119.950 0.063 0.000 2.436 42 F HA 0.443 3.059 4.527 -3.185 0.000 0.340 42 F C 0.406 176.169 175.800 -0.061 0.000 1.113 42 F CA -1.502 56.400 58.000 -0.164 0.000 1.022 42 F CB 1.753 40.430 39.000 -0.537 0.000 1.128 42 F HN -0.076 nan 8.300 nan 0.000 0.466 43 Q N 1.987 121.882 119.800 0.157 0.000 2.321 43 Q HA 0.537 2.967 4.340 -3.182 0.000 0.270 43 Q C -1.616 174.422 176.000 0.063 0.000 1.032 43 Q CA -0.560 55.300 55.803 0.095 0.000 0.784 43 Q CB 2.031 30.817 28.738 0.080 0.000 1.264 43 Q HN 0.445 nan 8.270 nan 0.000 0.448 44 V N 4.360 124.309 119.914 0.058 0.000 2.446 44 V HA 0.173 2.383 4.120 -3.182 0.000 0.276 44 V C 0.999 177.109 176.094 0.028 0.000 1.030 44 V CA 1.160 63.487 62.300 0.047 0.000 1.033 44 V CB 0.537 32.385 31.823 0.041 0.000 0.993 44 V HN 1.065 nan 8.190 nan 0.000 0.477 45 T N 1.884 116.448 114.554 0.017 0.000 2.975 45 T HA 0.364 2.805 4.350 -3.182 0.000 0.257 45 T C -0.181 174.509 174.700 -0.016 0.000 1.003 45 T CA -0.116 61.985 62.100 0.002 0.000 0.932 45 T CB 0.353 69.219 68.868 -0.002 0.000 1.087 45 T HN 0.339 nan 8.240 nan 0.000 0.512 46 L N 1.155 122.370 121.223 -0.014 0.000 2.505 46 L HA 0.772 3.203 4.340 -3.182 0.000 0.266 46 L C -1.912 174.952 176.870 -0.009 0.000 0.954 46 L CA -1.047 53.769 54.840 -0.040 0.000 0.852 46 L CB 2.103 44.100 42.059 -0.102 0.000 1.282 46 L HN 0.162 nan 8.230 nan 0.000 0.403 47 M N 3.972 123.566 119.600 -0.010 0.000 2.327 47 M HA 0.602 3.173 4.480 -3.182 0.000 0.298 47 M C -0.637 175.667 176.300 0.007 0.000 1.065 47 M CA -0.562 54.748 55.300 0.016 0.000 0.916 47 M CB 2.561 35.177 32.600 0.027 0.000 1.630 47 M HN 0.761 nan 8.290 nan 0.000 0.442 48 T N 0.077 114.647 114.554 0.025 0.000 2.887 48 T HA 0.962 3.402 4.350 -3.182 0.000 0.288 48 T C -0.793 173.927 174.700 0.034 0.000 1.021 48 T CA -0.743 61.369 62.100 0.020 0.000 1.000 48 T CB 2.161 71.044 68.868 0.025 0.000 1.034 48 T HN 0.830 nan 8.240 nan 0.000 0.467 49 A N 1.483 124.317 122.820 0.023 0.000 2.556 49 A HA 0.689 3.100 4.320 -3.182 0.000 0.294 49 A C 0.227 177.819 177.584 0.014 0.000 1.091 49 A CA -0.572 51.478 52.037 0.023 0.000 0.704 49 A CB 1.777 20.787 19.000 0.017 0.000 1.300 49 A HN 0.897 nan 8.150 nan 0.000 0.406 50 D N -0.007 120.400 120.400 0.011 0.000 2.178 50 D HA -0.025 2.706 4.640 -3.182 0.000 0.217 50 D C 1.557 177.857 176.300 -0.001 0.000 0.992 50 D CA 1.253 55.258 54.000 0.007 0.000 0.895 50 D CB 0.192 40.997 40.800 0.009 0.000 1.031 50 D HN 0.492 nan 8.370 nan 0.000 0.453 51 R N -0.752 119.743 120.500 -0.008 0.000 2.313 51 R HA 0.120 2.550 4.340 -3.182 0.000 0.199 51 R C 1.039 177.328 176.300 -0.019 0.000 0.958 51 R CA 0.335 56.427 56.100 -0.013 0.000 1.047 51 R CB 0.252 30.542 30.300 -0.018 0.000 0.955 51 R HN -0.002 nan 8.270 nan 0.000 0.481 52 K N -0.021 120.368 120.400 -0.018 0.000 2.367 52 K HA 0.200 2.611 4.320 -3.182 0.000 0.194 52 K C 0.156 176.748 176.600 -0.014 0.000 1.027 52 K CA 0.177 56.451 56.287 -0.022 0.000 1.075 52 K CB 0.782 33.266 32.500 -0.027 0.000 0.845 52 K HN 0.088 nan 8.250 nan 0.000 0.529 53 A N 0.822 123.636 122.820 -0.009 0.000 2.584 53 A HA 0.310 2.720 4.320 -3.182 0.000 0.239 53 A C 1.320 178.898 177.584 -0.011 0.000 1.043 53 A CA 1.385 53.417 52.037 -0.008 0.000 0.756 53 A CB -0.413 18.583 19.000 -0.007 0.000 0.963 53 A HN 0.554 nan 8.150 nan 0.000 0.511 54 G N 1.358 110.152 108.800 -0.011 0.000 2.254 54 G HA2 -0.203 1.848 3.960 -3.182 0.000 0.225 54 G HA3 -0.203 1.848 3.960 -3.182 0.000 0.225 54 G C 0.303 175.196 174.900 -0.011 0.000 1.003 54 G CA 0.421 45.514 45.100 -0.011 0.000 0.622 54 G HN 0.941 nan 8.290 nan 0.000 0.507 55 Q N 0.905 120.698 119.800 -0.012 0.000 2.256 55 Q HA 0.590 3.020 4.340 -3.182 0.000 0.232 55 Q C 0.718 176.713 176.000 -0.008 0.000 0.965 55 Q CA 0.148 55.943 55.803 -0.013 0.000 0.908 55 Q CB 1.428 30.154 28.738 -0.020 0.000 1.209 55 Q HN 0.613 nan 8.270 nan 0.000 0.489 56 S N 0.187 115.883 115.700 -0.007 0.000 2.669 56 S HA 0.214 2.775 4.470 -3.182 0.000 0.270 56 S C 0.909 175.513 174.600 0.007 0.000 1.225 56 S CA -0.690 57.510 58.200 -0.000 0.000 0.991 56 S CB 0.826 64.025 63.200 -0.001 0.000 0.987 56 S HN 0.639 nan 8.310 nan 0.000 0.552 57 M N 0.851 120.463 119.600 0.019 0.000 2.156 57 M HA -0.030 2.541 4.480 -3.182 0.000 0.264 57 M C 2.233 178.562 176.300 0.048 0.000 1.067 57 M CA 1.449 56.778 55.300 0.048 0.000 1.131 57 M CB -1.417 31.213 32.600 0.050 0.000 1.368 57 M HN 0.998 nan 8.290 nan 0.000 0.416 58 E N 0.242 120.454 120.200 0.021 0.000 2.160 58 E HA -0.144 2.297 4.350 -3.182 0.000 0.195 58 E C 1.664 178.274 176.600 0.016 0.000 0.991 58 E CA 1.564 57.974 56.400 0.017 0.000 0.810 58 E CB 0.065 29.768 29.700 0.005 0.000 0.742 58 E HN 0.421 nan 8.360 nan 0.000 0.466 59 S N 0.048 115.748 115.700 -0.001 0.000 2.356 59 S HA -0.117 2.444 4.470 -3.182 0.000 0.223 59 S C 2.207 176.774 174.600 -0.054 0.000 1.032 59 S CA 1.385 59.573 58.200 -0.021 0.000 1.005 59 S CB -0.330 62.855 63.200 -0.025 0.000 0.867 59 S HN 0.158 nan 8.310 nan 0.000 0.449 60 V N 0.042 119.905 119.914 -0.086 0.000 2.255 60 V HA 0.014 2.224 4.120 -3.182 0.000 0.243 60 V C 0.409 176.295 176.094 -0.346 0.000 1.038 60 V CA 1.257 63.409 62.300 -0.247 0.000 1.008 60 V CB -0.519 31.144 31.823 -0.267 0.000 0.645 60 V HN 0.389 nan 8.190 nan 0.000 0.449 61 F N 1.460 121.432 119.950 0.038 0.000 2.363 61 F HA 0.420 2.958 4.527 -3.315 0.000 0.366 61 F C -1.456 174.339 175.800 -0.008 0.000 1.083 61 F CA -2.679 55.370 58.000 0.081 0.000 1.176 61 F CB 0.996 40.038 39.000 0.069 0.000 1.432 61 F HN 0.067 nan 8.300 nan 0.000 0.482 62 P HA -0.222 nan 4.420 nan 0.000 0.223 62 P C 1.301 178.663 177.300 0.104 0.000 1.144 62 P CA 1.539 64.704 63.100 0.108 0.000 0.783 62 P CB -0.232 31.525 31.700 0.095 0.000 0.771 63 H N -0.671 118.465 119.070 0.111 0.000 2.555 63 H HA 0.117 2.760 4.556 -3.189 0.000 0.269 63 H C 1.308 176.663 175.328 0.046 0.000 0.988 63 H CA 0.226 56.312 56.048 0.065 0.000 1.178 63 H CB -0.803 28.991 29.762 0.054 0.000 1.373 63 H HN 0.194 nan 8.280 nan 0.000 0.588 64 L N 1.877 122.845 121.223 -0.426 0.000 2.653 64 L HA 0.152 2.583 4.340 -3.182 0.000 0.231 64 L C 2.355 179.157 176.870 -0.113 0.000 1.153 64 L CA -0.040 54.609 54.840 -0.318 0.000 0.933 64 L CB 0.008 41.852 42.059 -0.359 0.000 1.175 64 L HN 0.216 nan 8.230 nan 0.000 0.473 65 R N 0.535 121.001 120.500 -0.057 0.000 2.341 65 R HA -0.039 2.392 4.340 -3.182 0.000 0.213 65 R C 1.707 178.001 176.300 -0.010 0.000 1.082 65 R CA 1.023 57.111 56.100 -0.019 0.000 1.017 65 R CB -0.291 30.010 30.300 0.002 0.000 0.860 65 R HN 0.230 nan 8.270 nan 0.000 0.473 66 A N 1.299 124.112 122.820 -0.011 0.000 2.072 66 A HA -0.070 2.340 4.320 -3.182 0.000 0.216 66 A C 0.843 178.424 177.584 -0.004 0.000 1.156 66 A CA 0.403 52.440 52.037 -0.001 0.000 0.701 66 A CB -0.090 18.914 19.000 0.006 0.000 0.816 66 A HN 0.665 nan 8.150 nan 0.000 0.458 67 Q N -0.515 119.279 119.800 -0.011 0.000 2.297 67 Q HA 0.584 3.014 4.340 -3.182 0.000 0.268 67 Q C -1.191 174.805 176.000 -0.007 0.000 1.045 67 Q CA -0.951 54.847 55.803 -0.007 0.000 0.861 67 Q CB 1.341 30.075 28.738 -0.007 0.000 1.344 67 Q HN 0.103 nan 8.270 nan 0.000 0.452 68 K N 1.987 122.386 120.400 -0.001 0.000 2.276 68 K HA 0.409 2.820 4.320 -3.182 0.000 0.285 68 K C -0.798 175.803 176.600 0.001 0.000 1.062 68 K CA -0.098 56.189 56.287 0.001 0.000 0.918 68 K CB 0.626 33.128 32.500 0.004 0.000 1.055 68 K HN 0.464 nan 8.250 nan 0.000 0.477 69 L N 4.360 125.583 121.223 -0.000 0.000 2.354 69 L HA 0.522 2.953 4.340 -3.182 0.000 0.264 69 L C -2.019 174.852 176.870 0.002 0.000 1.008 69 L CA -2.271 52.570 54.840 0.002 0.000 0.819 69 L CB 1.876 43.935 42.059 0.001 0.000 1.339 69 L HN 0.535 nan 8.230 nan 0.000 0.420 70 P HA 0.128 nan 4.420 nan 0.000 0.275 70 P C -0.555 176.743 177.300 -0.004 0.000 1.228 70 P CA -0.315 62.783 63.100 -0.004 0.000 0.786 70 P CB 0.626 32.321 31.700 -0.009 0.000 0.927 71 T N 2.514 117.063 114.554 -0.008 0.000 2.934 71 T HA 0.073 2.514 4.350 -3.182 0.000 0.306 71 T C 0.662 175.357 174.700 -0.009 0.000 1.042 71 T CA 0.012 62.107 62.100 -0.008 0.000 1.145 71 T CB -0.160 68.701 68.868 -0.011 0.000 0.982 71 T HN 0.213 nan 8.240 nan 0.000 0.544 72 L N 4.372 125.592 121.223 -0.004 0.000 2.456 72 L HA 0.318 2.748 4.340 -3.182 0.000 0.277 72 L C 0.730 177.594 176.870 -0.010 0.000 1.124 72 L CA -0.516 54.322 54.840 -0.002 0.000 0.880 72 L CB -0.231 41.831 42.059 0.005 0.000 1.192 72 L HN 0.473 nan 8.230 nan 0.000 0.463 73 V N 0.533 120.437 119.914 -0.018 0.000 3.267 73 V HA 0.593 2.804 4.120 -3.182 0.000 0.317 73 V C 0.288 176.371 176.094 -0.018 0.000 1.131 73 V CA -0.779 61.506 62.300 -0.024 0.000 1.031 73 V CB 1.878 33.675 31.823 -0.043 0.000 1.159 73 V HN 0.656 nan 8.190 nan 0.000 0.454 74 S N -0.205 115.484 115.700 -0.017 0.000 2.565 74 S HA 0.318 2.878 4.470 -3.182 0.000 0.274 74 S C 0.830 175.425 174.600 -0.008 0.000 1.309 74 S CA -0.102 58.094 58.200 -0.006 0.000 1.043 74 S CB 1.203 64.402 63.200 -0.003 0.000 0.939 74 S HN 0.885 nan 8.310 nan 0.000 0.504 75 V N 5.197 125.120 119.914 0.015 0.000 2.594 75 V HA -0.073 2.138 4.120 -3.182 0.000 0.253 75 V C 2.235 178.358 176.094 0.048 0.000 1.069 75 V CA 1.530 63.854 62.300 0.041 0.000 1.082 75 V CB -0.812 31.058 31.823 0.079 0.000 0.680 75 V HN 0.702 nan 8.190 nan 0.000 0.469 76 K N 0.501 120.922 120.400 0.034 0.000 2.211 76 K HA -0.083 2.328 4.320 -3.182 0.000 0.203 76 K C 1.265 177.877 176.600 0.020 0.000 1.050 76 K CA 1.094 57.401 56.287 0.034 0.000 0.945 76 K CB -0.272 32.243 32.500 0.024 0.000 0.732 76 K HN 0.494 nan 8.250 nan 0.000 0.451 77 D N -0.418 119.979 120.400 -0.005 0.000 2.424 77 D HA 0.141 2.872 4.640 -3.182 0.000 0.220 77 D C -0.381 175.881 176.300 -0.064 0.000 1.150 77 D CA 0.011 53.997 54.000 -0.023 0.000 0.831 77 D CB 0.335 41.121 40.800 -0.023 0.000 0.981 77 D HN 0.035 nan 8.370 nan 0.000 0.500 78 A N 0.787 123.547 122.820 -0.099 0.000 2.331 78 A HA 0.305 2.716 4.320 -3.182 0.000 0.283 78 A C -0.127 177.263 177.584 -0.325 0.000 1.142 78 A CA -0.320 51.561 52.037 -0.261 0.000 0.812 78 A CB 0.996 19.765 19.000 -0.385 0.000 1.074 78 A HN -0.075 nan 8.150 nan 0.000 0.497 79 D N 1.944 122.123 120.400 -0.368 0.000 2.408 79 D HA 0.419 3.150 4.640 -3.182 0.000 0.243 79 D C -0.749 175.337 176.300 -0.357 0.000 1.075 79 D CA -0.311 53.552 54.000 -0.228 0.000 0.832 79 D CB 0.812 41.554 40.800 -0.097 0.000 1.162 79 D HN 0.338 nan 8.370 nan 0.000 0.515 80 F N 1.911 121.852 119.950 -0.015 0.000 2.664 80 F HA 0.059 2.675 4.527 -3.185 0.000 0.301 80 F C 2.417 178.204 175.800 -0.023 0.000 1.126 80 F CA -0.255 57.732 58.000 -0.022 0.000 1.373 80 F CB 0.092 39.074 39.000 -0.029 0.000 1.042 80 F HN 0.280 nan 8.300 nan 0.000 0.535 81 S N 0.413 116.163 115.700 0.083 0.000 2.383 81 S HA -0.187 2.374 4.470 -3.182 0.000 0.229 81 S C 1.968 176.590 174.600 0.037 0.000 1.030 81 S CA 2.111 60.343 58.200 0.054 0.000 1.002 81 S CB -0.361 62.854 63.200 0.024 0.000 0.829 81 S HN 0.466 nan 8.310 nan 0.000 0.467 82 T N -0.545 114.020 114.554 0.017 0.000 3.248 82 T HA 0.546 2.987 4.350 -3.182 0.000 0.271 82 T C -0.195 174.514 174.700 0.014 0.000 1.005 82 T CA -0.535 61.572 62.100 0.011 0.000 0.902 82 T CB 0.270 69.137 68.868 -0.003 0.000 1.102 82 T HN 0.041 nan 8.240 nan 0.000 0.548 83 V N 1.307 121.247 119.914 0.044 0.000 2.667 83 V HA 0.445 2.655 4.120 -3.182 0.000 0.308 83 V C -0.003 176.115 176.094 0.040 0.000 1.048 83 V CA -0.697 61.637 62.300 0.057 0.000 0.928 83 V CB 2.054 33.968 31.823 0.153 0.000 1.004 83 V HN 0.359 nan 8.190 nan 0.000 0.444 84 D N 1.806 122.196 120.400 -0.017 0.000 2.498 84 D HA 0.452 3.183 4.640 -3.182 0.000 0.223 84 D C 0.223 176.446 176.300 -0.129 0.000 1.125 84 D CA 0.613 54.576 54.000 -0.062 0.000 0.835 84 D CB 1.807 42.564 40.800 -0.071 0.000 1.086 84 D HN 0.631 nan 8.370 nan 0.000 0.510 85 A N 0.345 123.072 122.820 -0.155 0.000 2.605 85 A HA 0.566 2.977 4.320 -3.182 0.000 0.294 85 A C -1.515 175.932 177.584 -0.228 0.000 1.062 85 A CA -0.511 51.374 52.037 -0.253 0.000 0.682 85 A CB 1.598 20.347 19.000 -0.418 0.000 1.278 85 A HN -0.108 nan 8.150 nan 0.000 0.410 86 V N 0.996 120.741 119.914 -0.282 0.000 2.604 86 V HA 0.633 2.843 4.120 -3.182 0.000 0.305 86 V C -1.437 174.480 176.094 -0.295 0.000 1.043 86 V CA -0.312 61.876 62.300 -0.187 0.000 0.888 86 V CB 1.572 33.332 31.823 -0.105 0.000 0.995 86 V HN 0.707 nan 8.190 nan 0.000 0.429 87 F N 3.168 123.112 119.950 -0.009 0.000 2.382 87 F HA 0.449 3.071 4.527 -3.175 0.000 0.361 87 F C 0.208 176.019 175.800 0.018 0.000 1.109 87 F CA -0.528 57.469 58.000 -0.006 0.000 1.031 87 F CB 1.339 40.334 39.000 -0.007 0.000 1.234 87 F HN 0.475 nan 8.300 nan 0.000 0.445 88 C N 4.264 123.673 119.300 0.182 0.000 2.265 88 C HA 0.556 3.107 4.460 -3.182 0.000 0.332 88 C C 0.392 175.460 174.990 0.131 0.000 1.248 88 C CA -0.364 58.735 59.018 0.134 0.000 1.727 88 C CB -1.273 26.521 27.740 0.091 0.000 2.348 88 C HN 0.955 nan 8.230 nan 0.000 0.519 89 C N 6.878 126.247 119.300 0.116 0.000 2.751 89 C HA 0.327 2.878 4.460 -3.182 0.000 0.248 89 C C 0.268 175.308 174.990 0.082 0.000 1.710 89 C CA -0.635 58.441 59.018 0.096 0.000 1.676 89 C CB -2.194 25.596 27.740 0.084 0.000 3.106 89 C HN 0.829 nan 8.230 nan 0.000 0.502 90 L N 2.930 124.198 121.223 0.076 0.000 2.453 90 L HA 0.326 2.756 4.340 -3.182 0.000 0.261 90 L C -1.620 175.284 176.870 0.057 0.000 1.179 90 L CA -1.146 53.730 54.840 0.060 0.000 0.813 90 L CB 0.336 42.425 42.059 0.050 0.000 1.110 90 L HN 0.110 nan 8.230 nan 0.000 0.466 91 P HA -0.063 nan 4.420 nan 0.000 0.271 91 P C -0.476 176.873 177.300 0.081 0.000 1.233 91 P CA -0.134 63.007 63.100 0.069 0.000 0.764 91 P CB 0.338 32.070 31.700 0.052 0.000 0.825 92 H N 2.911 121.987 119.070 0.010 0.000 3.243 92 H HA -0.047 2.597 4.556 -3.186 0.000 0.267 92 H C 1.343 176.657 175.328 -0.024 0.000 0.875 92 H CA 2.447 58.485 56.048 -0.017 0.000 1.413 92 H CB -0.534 29.222 29.762 -0.010 0.000 1.459 92 H HN 0.828 nan 8.280 nan 0.000 0.536 93 G N 3.150 111.882 108.800 -0.113 0.000 3.110 93 G HA2 -0.253 1.798 3.960 -3.182 0.000 0.205 93 G HA3 -0.253 1.798 3.960 -3.182 0.000 0.205 93 G C 1.016 175.877 174.900 -0.066 0.000 1.019 93 G CA 0.346 45.435 45.100 -0.018 0.000 0.826 93 G HN 0.709 nan 8.290 nan 0.000 0.481 94 T N -2.385 112.129 114.554 -0.067 0.000 2.975 94 T HA 0.226 2.667 4.350 -3.182 0.000 0.257 94 T C 2.008 176.671 174.700 -0.061 0.000 1.003 94 T CA 1.736 63.808 62.100 -0.047 0.000 0.932 94 T CB 0.277 69.141 68.868 -0.007 0.000 1.087 94 T HN 0.046 nan 8.240 nan 0.000 0.512 95 T N 2.372 116.868 114.554 -0.097 0.000 2.684 95 T HA -0.163 2.278 4.350 -3.182 0.000 0.267 95 T C 1.911 176.566 174.700 -0.074 0.000 1.036 95 T CA 1.945 64.006 62.100 -0.065 0.000 1.148 95 T CB -0.439 68.376 68.868 -0.089 0.000 0.863 95 T HN 0.322 nan 8.240 nan 0.000 0.436 96 Q N 0.969 120.623 119.800 -0.244 0.000 2.062 96 Q HA -0.166 2.264 4.340 -3.182 0.000 0.209 96 Q C 2.176 178.121 176.000 -0.092 0.000 0.996 96 Q CA 1.983 57.587 55.803 -0.332 0.000 0.859 96 Q CB -0.186 28.259 28.738 -0.488 0.000 0.920 96 Q HN 0.628 nan 8.270 nan 0.000 0.415 97 E N -0.818 119.341 120.200 -0.067 0.000 2.112 97 E HA -0.066 2.375 4.350 -3.182 0.000 0.190 97 E C 2.059 178.670 176.600 0.017 0.000 0.979 97 E CA 0.802 57.195 56.400 -0.011 0.000 0.814 97 E CB -0.049 29.641 29.700 -0.016 0.000 0.762 97 E HN 0.386 nan 8.360 nan 0.000 0.460 98 I N 1.176 121.756 120.570 0.017 0.000 2.226 98 I HA -0.276 1.985 4.170 -3.182 0.000 0.245 98 I C 2.327 178.461 176.117 0.028 0.000 1.100 98 I CA 1.098 62.416 61.300 0.031 0.000 1.374 98 I CB -0.173 37.851 38.000 0.040 0.000 1.057 98 I HN 0.139 nan 8.210 nan 0.000 0.413 99 I N 0.590 121.198 120.570 0.063 0.000 2.252 99 I HA -0.293 1.967 4.170 -3.182 0.000 0.245 99 I C 2.620 178.751 176.117 0.023 0.000 1.102 99 I CA 1.258 62.590 61.300 0.053 0.000 1.385 99 I CB -0.389 37.725 38.000 0.191 0.000 1.064 99 I HN 0.215 nan 8.210 nan 0.000 0.414 100 K N 1.373 121.826 120.400 0.089 0.000 2.103 100 K HA -0.200 2.211 4.320 -3.182 0.000 0.207 100 K C 1.486 178.085 176.600 -0.001 0.000 1.048 100 K CA 1.552 57.874 56.287 0.059 0.000 0.930 100 K CB 0.024 32.573 32.500 0.082 0.000 0.716 100 K HN 0.340 nan 8.250 nan 0.000 0.444 101 E N 0.503 120.701 120.200 -0.005 0.000 2.445 101 E HA 0.054 2.494 4.350 -3.182 0.000 0.189 101 E C -0.245 176.320 176.600 -0.058 0.000 1.069 101 E CA -0.244 56.146 56.400 -0.018 0.000 0.871 101 E CB 0.200 29.904 29.700 0.005 0.000 0.991 101 E HN 0.285 nan 8.360 nan 0.000 0.481 102 L N 2.711 123.863 121.223 -0.119 0.000 2.395 102 L HA 0.209 2.639 4.340 -3.182 0.000 0.269 102 L C -1.818 174.903 176.870 -0.248 0.000 1.133 102 L CA -2.050 52.629 54.840 -0.268 0.000 0.812 102 L CB 0.201 42.038 42.059 -0.370 0.000 1.125 102 L HN -0.100 nan 8.230 nan 0.000 0.452 103 P HA -0.013 nan 4.420 nan 0.000 0.262 103 P C -0.640 176.554 177.300 -0.178 0.000 1.199 103 P CA -0.091 62.900 63.100 -0.183 0.000 0.763 103 P CB 0.190 31.806 31.700 -0.140 0.000 0.790 104 T N 2.823 117.306 114.554 -0.119 0.000 2.776 104 T HA 0.438 2.879 4.350 -3.182 0.000 0.292 104 T C 0.735 175.381 174.700 -0.090 0.000 0.921 104 T CA 0.322 62.357 62.100 -0.109 0.000 1.038 104 T CB -0.235 68.584 68.868 -0.082 0.000 0.910 104 T HN 0.583 nan 8.240 nan 0.000 0.536 105 A N 3.924 126.683 122.820 -0.102 0.000 2.112 105 A HA 0.385 2.796 4.320 -3.182 0.000 0.228 105 A C -0.329 177.202 177.584 -0.088 0.000 2.862 105 A CA -0.507 51.482 52.037 -0.080 0.000 1.932 105 A CB -0.788 18.178 19.000 -0.057 0.000 0.252 105 A HN 0.670 nan 8.150 nan 0.000 0.821 106 L N -1.087 120.067 121.223 -0.115 0.000 2.363 106 L HA 0.680 3.110 4.340 -3.182 0.000 0.239 106 L C -0.691 176.097 176.870 -0.137 0.000 1.172 106 L CA -1.230 53.535 54.840 -0.125 0.000 1.126 106 L CB 0.906 42.874 42.059 -0.152 0.000 1.616 106 L HN 0.006 nan 8.230 nan 0.000 0.457 107 K N 2.102 122.402 120.400 -0.166 0.000 2.621 107 K HA 0.513 2.924 4.320 -3.182 0.000 0.233 107 K C -1.240 175.221 176.600 -0.231 0.000 0.972 107 K CA -0.002 56.179 56.287 -0.177 0.000 0.988 107 K CB 1.563 33.962 32.500 -0.169 0.000 1.187 107 K HN 0.393 nan 8.250 nan 0.000 0.471 108 I N 2.609 123.050 120.570 -0.215 0.000 2.301 108 I HA 0.152 2.412 4.170 -3.182 0.000 0.292 108 I C 0.073 176.072 176.117 -0.198 0.000 1.046 108 I CA -0.952 60.214 61.300 -0.222 0.000 1.282 108 I CB 1.161 39.034 38.000 -0.212 0.000 1.409 108 I HN 0.012 nan 8.210 nan 0.000 0.484 109 V N 5.582 125.363 119.914 -0.222 0.000 2.348 109 V HA 0.121 2.331 4.120 -3.182 0.000 0.270 109 V C -0.079 176.020 176.094 0.008 0.000 1.037 109 V CA -0.394 61.839 62.300 -0.112 0.000 0.872 109 V CB 1.271 33.028 31.823 -0.110 0.000 1.002 109 V HN 0.615 nan 8.190 nan 0.000 0.464 110 D N 4.055 124.466 120.400 0.019 0.000 2.313 110 D HA 0.334 3.065 4.640 -3.182 0.000 0.239 110 D C 0.526 176.892 176.300 0.110 0.000 1.142 110 D CA -0.307 53.741 54.000 0.081 0.000 0.847 110 D CB 1.641 42.509 40.800 0.113 0.000 1.082 110 D HN 0.306 nan 8.370 nan 0.000 0.480 111 L N 2.533 123.831 121.223 0.126 0.000 2.558 111 L HA 0.118 2.548 4.340 -3.182 0.000 0.225 111 L C 1.305 178.246 176.870 0.119 0.000 1.128 111 L CA 0.150 55.057 54.840 0.112 0.000 0.868 111 L CB -0.625 41.496 42.059 0.103 0.000 1.006 111 L HN 0.391 nan 8.230 nan 0.000 0.454 112 S N -0.546 115.228 115.700 0.123 0.000 2.641 112 S HA 0.414 2.975 4.470 -3.182 0.000 0.261 112 S C 1.243 175.932 174.600 0.149 0.000 1.257 112 S CA -0.041 58.232 58.200 0.123 0.000 0.983 112 S CB 1.241 64.476 63.200 0.058 0.000 0.990 112 S HN 0.112 nan 8.310 nan 0.000 0.572 113 A N -0.254 122.668 122.820 0.170 0.000 2.267 113 A HA 0.213 2.624 4.320 -3.182 0.000 0.213 113 A C 1.327 178.971 177.584 0.100 0.000 1.192 113 A CA 0.463 52.626 52.037 0.210 0.000 0.851 113 A CB -0.838 18.364 19.000 0.337 0.000 0.881 113 A HN 0.836 nan 8.150 nan 0.000 0.494 114 D N -0.729 119.612 120.400 -0.098 0.000 2.228 114 D HA -0.138 2.593 4.640 -3.182 0.000 0.203 114 D C 0.594 176.636 176.300 -0.430 0.000 0.988 114 D CA 1.431 55.202 54.000 -0.382 0.000 0.864 114 D CB -0.203 40.214 40.800 -0.639 0.000 0.928 114 D HN 0.525 nan 8.370 nan 0.000 0.469 115 F N -0.509 119.425 119.950 -0.027 0.000 2.661 115 F HA 0.322 2.939 4.527 -3.185 0.000 0.306 115 F C 1.763 177.630 175.800 0.111 0.000 1.094 115 F CA -0.340 57.681 58.000 0.035 0.000 1.254 115 F CB 0.290 39.303 39.000 0.020 0.000 1.040 115 F HN -0.225 nan 8.300 nan 0.000 0.562 116 R N 0.092 120.764 120.500 0.286 0.000 2.066 116 R HA 0.024 2.454 4.340 -3.182 0.000 0.232 116 R C 0.437 176.861 176.300 0.207 0.000 1.131 116 R CA 0.827 57.111 56.100 0.306 0.000 0.955 116 R CB -0.307 30.185 30.300 0.320 0.000 0.851 116 R HN 0.158 nan 8.270 nan 0.000 0.432 117 L N 1.773 123.122 121.223 0.210 0.000 2.313 117 L HA 0.180 2.611 4.340 -3.182 0.000 0.282 117 L C 1.391 178.354 176.870 0.155 0.000 1.092 117 L CA -0.124 54.818 54.840 0.170 0.000 0.831 117 L CB 1.070 43.285 42.059 0.261 0.000 1.159 117 L HN 0.124 nan 8.230 nan 0.000 0.442 118 R N 1.161 121.715 120.500 0.090 0.000 2.153 118 R HA -0.020 2.411 4.340 -3.182 0.000 0.218 118 R C 0.695 177.035 176.300 0.065 0.000 1.072 118 R CA 0.359 56.502 56.100 0.071 0.000 0.990 118 R CB -0.040 30.280 30.300 0.035 0.000 0.889 118 R HN 0.558 nan 8.270 nan 0.000 0.452 119 N N 1.854 120.608 118.700 0.090 0.000 2.437 119 N HA 0.007 2.837 4.740 -3.182 0.000 0.243 119 N C 1.064 176.669 175.510 0.159 0.000 1.041 119 N CA -0.051 53.059 53.050 0.099 0.000 0.940 119 N CB 0.752 39.299 38.487 0.100 0.000 1.133 119 N HN -0.052 nan 8.380 nan 0.000 0.506 120 I N 2.887 123.520 120.570 0.104 0.000 2.194 120 I HA -0.294 1.967 4.170 -3.182 0.000 0.246 120 I C 2.216 178.484 176.117 0.252 0.000 1.093 120 I CA 1.116 62.501 61.300 0.142 0.000 1.355 120 I CB -1.640 36.364 38.000 0.006 0.000 1.046 120 I HN 0.550 nan 8.210 nan 0.000 0.413 121 A N 0.498 123.424 122.820 0.177 0.000 1.877 121 A HA -0.215 2.196 4.320 -3.182 0.000 0.216 121 A C 2.288 180.005 177.584 0.221 0.000 1.186 121 A CA 1.648 53.786 52.037 0.170 0.000 0.620 121 A CB -0.663 18.406 19.000 0.115 0.000 0.822 121 A HN 0.482 nan 8.150 nan 0.000 0.443 122 E N -1.570 118.785 120.200 0.258 0.000 2.058 122 E HA -0.247 2.194 4.350 -3.182 0.000 0.194 122 E C 1.890 178.763 176.600 0.455 0.000 0.997 122 E CA 1.606 58.223 56.400 0.362 0.000 0.801 122 E CB -0.386 29.496 29.700 0.302 0.000 0.746 122 E HN 0.806 nan 8.360 nan 0.000 0.450 123 Y N 1.900 122.401 120.300 0.335 0.000 2.114 123 Y HA -0.293 2.347 4.550 -3.185 0.000 0.282 123 Y C 2.249 178.397 175.900 0.414 0.000 1.165 123 Y CA 2.174 60.533 58.100 0.433 0.000 1.148 123 Y CB -0.189 38.486 38.460 0.357 0.000 0.972 123 Y HN 0.008 nan 8.280 nan 0.000 0.504 124 E N 0.114 120.465 120.200 0.251 0.000 2.038 124 E HA -0.317 2.123 4.350 -3.182 0.000 0.195 124 E C 2.311 178.894 176.600 -0.028 0.000 1.000 124 E CA 1.565 58.017 56.400 0.087 0.000 0.803 124 E CB -0.360 29.446 29.700 0.177 0.000 0.750 124 E HN 0.741 nan 8.360 nan 0.000 0.448 125 E N -0.355 119.845 120.200 -0.001 0.000 2.023 125 E HA -0.211 2.229 4.350 -3.182 0.000 0.196 125 E C 1.707 178.105 176.600 -0.336 0.000 1.003 125 E CA 1.622 57.923 56.400 -0.165 0.000 0.809 125 E CB -0.317 29.273 29.700 -0.182 0.000 0.755 125 E HN 0.395 nan 8.360 nan 0.000 0.449 126 W N -0.981 120.189 121.300 -0.216 0.000 2.699 126 W HA -0.047 2.702 4.660 -3.184 0.000 0.249 126 W C 0.900 176.989 176.519 -0.716 0.000 1.280 126 W CA 0.342 57.422 57.345 -0.440 0.000 1.345 126 W CB 0.050 29.212 29.460 -0.496 0.000 1.128 126 W HN 0.249 nan 8.180 nan 0.000 0.642 127 Y N -1.175 119.029 120.300 -0.160 0.000 2.563 127 Y HA 0.364 3.003 4.550 -3.185 0.000 0.250 127 Y C 2.001 177.781 175.900 -0.199 0.000 1.126 127 Y CA 0.036 57.994 58.100 -0.237 0.000 1.231 127 Y CB 0.423 38.614 38.460 -0.449 0.000 1.288 127 Y HN -0.012 nan 8.280 nan 0.000 0.537 128 G N 0.825 109.578 108.800 -0.079 0.000 2.934 128 G HA2 -0.380 1.671 3.960 -3.182 0.000 0.231 128 G HA3 -0.380 1.671 3.960 -3.182 0.000 0.231 128 G C 0.598 175.495 174.900 -0.006 0.000 1.235 128 G CA 0.750 45.820 45.100 -0.050 0.000 0.812 128 G HN 0.466 nan 8.290 nan 0.000 0.521 129 Q N 1.522 121.333 119.800 0.018 0.000 2.293 129 Q HA 0.600 3.031 4.340 -3.182 0.000 0.251 129 Q C -2.809 173.288 176.000 0.163 0.000 0.930 129 Q CA -1.923 53.926 55.803 0.076 0.000 0.893 129 Q CB 1.154 29.953 28.738 0.102 0.000 1.215 129 Q HN 0.284 nan 8.270 nan 0.000 0.425 130 P HA -0.069 nan 4.420 nan 0.000 0.269 130 P C -0.842 176.683 177.300 0.374 0.000 1.209 130 P CA 0.021 63.275 63.100 0.257 0.000 0.776 130 P CB 0.411 32.200 31.700 0.147 0.000 0.876 131 H N 3.388 122.614 119.070 0.259 0.000 2.764 131 H HA 0.105 2.753 4.556 -3.180 0.000 0.341 131 H C 0.544 175.808 175.328 -0.108 0.000 1.072 131 H CA 0.704 56.683 56.048 -0.114 0.000 1.444 131 H CB 0.690 30.284 29.762 -0.281 0.000 1.458 131 H HN 0.326 nan 8.280 nan 0.000 0.572 132 K N 3.162 123.552 120.400 -0.016 0.000 2.440 132 K HA 0.306 2.717 4.320 -3.182 0.000 0.206 132 K C -0.182 176.465 176.600 0.078 0.000 1.025 132 K CA 0.202 56.507 56.287 0.029 0.000 1.135 132 K CB 0.847 33.313 32.500 -0.056 0.000 0.856 132 K HN 0.513 nan 8.250 nan 0.000 0.502 133 A N 0.562 123.540 122.820 0.263 0.000 3.214 133 A HA 0.152 2.563 4.320 -3.182 0.000 0.203 133 A C 0.953 178.589 177.584 0.088 0.000 0.960 133 A CA -0.377 51.765 52.037 0.175 0.000 1.113 133 A CB -0.260 18.861 19.000 0.202 0.000 1.280 133 A HN -0.011 nan 8.150 nan 0.000 0.573 134 V N 0.254 120.092 119.914 -0.127 0.000 2.313 134 V HA -0.276 1.935 4.120 -3.182 0.000 0.253 134 V C 2.567 178.581 176.094 -0.134 0.000 1.070 134 V CA 2.561 64.673 62.300 -0.312 0.000 1.057 134 V CB -0.356 31.353 31.823 -0.191 0.000 0.653 134 V HN 0.675 nan 8.190 nan 0.000 0.450 135 E N -0.514 119.663 120.200 -0.038 0.000 2.046 135 E HA -0.140 2.301 4.350 -3.182 0.000 0.190 135 E C 2.114 178.726 176.600 0.018 0.000 0.982 135 E CA 0.964 57.357 56.400 -0.012 0.000 0.800 135 E CB -0.380 29.319 29.700 -0.003 0.000 0.756 135 E HN 0.479 nan 8.360 nan 0.000 0.449 136 L N 1.696 122.961 121.223 0.070 0.000 2.191 136 L HA -0.196 2.235 4.340 -3.182 0.000 0.212 136 L C 2.347 179.295 176.870 0.130 0.000 1.103 136 L CA 1.655 56.546 54.840 0.085 0.000 0.769 136 L CB -0.562 41.584 42.059 0.146 0.000 0.908 136 L HN 0.014 nan 8.230 nan 0.000 0.438 137 Q N 0.172 120.104 119.800 0.221 0.000 2.181 137 Q HA -0.233 2.198 4.340 -3.182 0.000 0.205 137 Q C 2.004 178.064 176.000 0.100 0.000 0.980 137 Q CA 1.855 57.805 55.803 0.244 0.000 0.862 137 Q CB -0.180 28.575 28.738 0.028 0.000 0.905 137 Q HN 0.561 nan 8.270 nan 0.000 0.429 138 K N 0.200 120.620 120.400 0.033 0.000 2.283 138 K HA -0.138 2.273 4.320 -3.182 0.000 0.202 138 K C 1.327 177.930 176.600 0.006 0.000 1.048 138 K CA 1.392 57.686 56.287 0.012 0.000 0.948 138 K CB 0.021 32.518 32.500 -0.005 0.000 0.742 138 K HN 0.572 nan 8.250 nan 0.000 0.458 139 E N 0.589 120.783 120.200 -0.009 0.000 2.481 139 E HA 0.070 2.510 4.350 -3.182 0.000 0.198 139 E C -0.134 176.436 176.600 -0.049 0.000 1.027 139 E CA -0.150 56.230 56.400 -0.032 0.000 0.900 139 E CB 0.318 29.987 29.700 -0.052 0.000 0.993 139 E HN -0.130 nan 8.360 nan 0.000 0.482 140 V N 2.007 121.900 119.914 -0.034 0.000 2.614 140 V HA 0.094 2.304 4.120 -3.182 0.000 0.291 140 V C 0.185 176.295 176.094 0.027 0.000 1.049 140 V CA -0.457 61.818 62.300 -0.041 0.000 1.038 140 V CB 1.499 33.331 31.823 0.015 0.000 0.980 140 V HN 0.061 nan 8.190 nan 0.000 0.481 141 V N 4.636 124.565 119.914 0.025 0.000 2.513 141 V HA 0.309 2.520 4.120 -3.182 0.000 0.299 141 V C -0.562 175.614 176.094 0.136 0.000 1.035 141 V CA -0.860 61.484 62.300 0.073 0.000 0.889 141 V CB 1.687 33.534 31.823 0.041 0.000 0.988 141 V HN 0.725 nan 8.190 nan 0.000 0.440 142 Y N 2.726 123.041 120.300 0.026 0.000 2.442 142 Y HA 0.421 3.061 4.550 -3.182 0.000 0.330 142 Y C 1.180 177.098 175.900 0.030 0.000 1.129 142 Y CA -0.212 57.908 58.100 0.034 0.000 1.365 142 Y CB 1.246 39.727 38.460 0.035 0.000 1.233 142 Y HN 0.681 nan 8.280 nan 0.000 0.529 143 G N 6.729 115.335 108.800 -0.323 0.000 3.639 143 G HA2 0.155 2.205 3.960 -3.182 0.000 0.279 143 G HA3 0.155 2.205 3.960 -3.182 0.000 0.279 143 G C -0.543 174.188 174.900 -0.281 0.000 1.312 143 G CA -0.385 44.573 45.100 -0.236 0.000 1.355 143 G HN 0.529 nan 8.290 nan 0.000 0.595 144 L N 2.161 123.211 121.223 -0.289 0.000 2.375 144 L HA 0.271 2.701 4.340 -3.182 0.000 0.276 144 L C 1.706 178.577 176.870 0.001 0.000 1.162 144 L CA 0.052 54.811 54.840 -0.134 0.000 0.991 144 L CB -0.670 41.401 42.059 0.019 0.000 1.315 144 L HN 0.226 nan 8.230 nan 0.000 0.431 145 T N 1.340 115.892 114.554 -0.003 0.000 2.450 145 T HA -0.321 2.119 4.350 -3.182 0.000 0.250 145 T C 1.377 176.141 174.700 0.107 0.000 1.264 145 T CA 2.068 64.201 62.100 0.055 0.000 1.191 145 T CB -0.276 68.632 68.868 0.068 0.000 0.862 145 T HN 0.557 nan 8.240 nan 0.000 0.411 146 E N 0.624 120.913 120.200 0.149 0.000 2.236 146 E HA -0.148 2.293 4.350 -3.182 0.000 0.205 146 E C 2.078 178.806 176.600 0.213 0.000 1.028 146 E CA 1.083 57.620 56.400 0.228 0.000 0.827 146 E CB -0.423 29.489 29.700 0.354 0.000 0.735 146 E HN 0.515 nan 8.360 nan 0.000 0.470 147 I N -0.934 119.744 120.570 0.181 0.000 2.364 147 I HA -0.067 2.194 4.170 -3.182 0.000 0.241 147 I C 1.592 177.773 176.117 0.106 0.000 1.082 147 I CA 0.841 62.230 61.300 0.148 0.000 1.401 147 I CB -0.567 37.532 38.000 0.165 0.000 1.126 147 I HN 0.075 nan 8.210 nan 0.000 0.429 148 L N 0.936 122.222 121.223 0.106 0.000 2.848 148 L HA 0.231 2.661 4.340 -3.182 0.000 0.240 148 L C 2.100 179.011 176.870 0.069 0.000 1.232 148 L CA -0.103 54.790 54.840 0.088 0.000 1.031 148 L CB -0.181 41.945 42.059 0.112 0.000 1.338 148 L HN 0.194 nan 8.230 nan 0.000 0.509 149 R N 0.975 121.518 120.500 0.072 0.000 2.133 149 R HA -0.231 2.200 4.340 -3.182 0.000 0.245 149 R C 1.781 178.111 176.300 0.051 0.000 1.137 149 R CA 1.952 58.092 56.100 0.066 0.000 0.947 149 R CB 0.124 30.468 30.300 0.074 0.000 0.865 149 R HN 0.292 nan 8.270 nan 0.000 0.437 150 E N 0.485 120.711 120.200 0.044 0.000 2.153 150 E HA -0.168 2.273 4.350 -3.182 0.000 0.194 150 E C 1.590 178.207 176.600 0.028 0.000 0.988 150 E CA 1.226 57.646 56.400 0.032 0.000 0.811 150 E CB -0.184 29.531 29.700 0.026 0.000 0.746 150 E HN 0.535 nan 8.360 nan 0.000 0.466 151 D N 0.155 120.575 120.400 0.033 0.000 2.183 151 D HA -0.003 2.727 4.640 -3.182 0.000 0.205 151 D C 2.206 178.520 176.300 0.023 0.000 0.962 151 D CA 0.328 54.345 54.000 0.028 0.000 0.849 151 D CB -0.049 40.773 40.800 0.037 0.000 0.978 151 D HN 0.209 nan 8.370 nan 0.000 0.488 152 I N 2.157 122.745 120.570 0.031 0.000 2.226 152 I HA -0.276 1.985 4.170 -3.182 0.000 0.245 152 I C 2.505 178.634 176.117 0.019 0.000 1.100 152 I CA 1.109 62.423 61.300 0.022 0.000 1.374 152 I CB -0.340 37.678 38.000 0.029 0.000 1.057 152 I HN 0.040 nan 8.210 nan 0.000 0.413 153 K N 2.379 122.796 120.400 0.028 0.000 2.160 153 K HA -0.209 2.201 4.320 -3.182 0.000 0.206 153 K C 1.321 177.928 176.600 0.013 0.000 1.047 153 K CA 1.709 58.013 56.287 0.029 0.000 0.930 153 K CB -0.397 32.123 32.500 0.032 0.000 0.720 153 K HN 0.484 nan 8.250 nan 0.000 0.450 154 K N -0.017 120.386 120.400 0.004 0.000 2.478 154 K HA 0.423 2.833 4.320 -3.182 0.000 0.205 154 K C -0.098 176.492 176.600 -0.018 0.000 1.033 154 K CA -0.344 55.939 56.287 -0.007 0.000 1.091 154 K CB 1.095 33.591 32.500 -0.006 0.000 0.844 154 K HN 0.103 nan 8.250 nan 0.000 0.507 155 A N 1.826 124.634 122.820 -0.019 0.000 2.322 155 A HA 0.286 2.696 4.320 -3.182 0.000 0.269 155 A C 0.915 178.464 177.584 -0.058 0.000 1.094 155 A CA -0.609 51.408 52.037 -0.033 0.000 0.807 155 A CB 0.883 19.867 19.000 -0.026 0.000 1.047 155 A HN 0.452 nan 8.150 nan 0.000 0.487 156 R N 0.758 121.212 120.500 -0.076 0.000 2.033 156 R HA 0.161 2.592 4.340 -3.182 0.000 0.219 156 R C -0.062 176.155 176.300 -0.137 0.000 1.223 156 R CA 0.431 56.469 56.100 -0.103 0.000 0.971 156 R CB -0.359 29.877 30.300 -0.107 0.000 0.855 156 R HN 0.529 nan 8.270 nan 0.000 0.452 157 L N 2.256 123.378 121.223 -0.169 0.000 2.264 157 L HA 0.382 2.813 4.340 -3.182 0.000 0.289 157 L C -1.348 175.417 176.870 -0.175 0.000 1.044 157 L CA -0.349 54.351 54.840 -0.234 0.000 0.807 157 L CB 1.778 43.602 42.059 -0.391 0.000 1.192 157 L HN -0.009 nan 8.230 nan 0.000 0.425 158 V N 5.264 125.094 119.914 -0.140 0.000 2.417 158 V HA 0.694 2.904 4.120 -3.182 0.000 0.291 158 V C 0.201 176.273 176.094 -0.037 0.000 1.024 158 V CA -0.590 61.667 62.300 -0.071 0.000 0.861 158 V CB 1.466 33.254 31.823 -0.058 0.000 0.985 158 V HN 0.942 nan 8.190 nan 0.000 0.436 159 A N 4.124 126.961 122.820 0.027 0.000 2.316 159 A HA 0.472 2.883 4.320 -3.182 0.000 0.311 159 A C 0.142 177.724 177.584 -0.004 0.000 1.339 159 A CA -0.327 51.768 52.037 0.095 0.000 0.960 159 A CB -0.344 18.799 19.000 0.238 0.000 1.152 159 A HN 0.840 nan 8.150 nan 0.000 0.547 160 N N 3.233 121.926 118.700 -0.011 0.000 2.468 160 N HA 0.296 3.126 4.740 -3.182 0.000 0.265 160 N C -2.568 172.866 175.510 -0.128 0.000 1.199 160 N CA -0.932 52.067 53.050 -0.085 0.000 0.928 160 N CB 0.524 39.008 38.487 -0.005 0.000 1.059 160 N HN 0.319 nan 8.380 nan 0.000 0.467 161 P HA 0.093 nan 4.420 nan 0.000 0.270 161 P C -0.059 177.197 177.300 -0.074 0.000 1.227 161 P CA -0.213 62.720 63.100 -0.279 0.000 0.788 161 P CB 0.445 31.873 31.700 -0.452 0.000 0.926 162 G N -0.192 108.584 108.800 -0.040 0.000 2.572 162 G HA2 0.214 2.265 3.960 -3.182 0.000 0.261 162 G HA3 0.214 2.265 3.960 -3.182 0.000 0.261 162 G C 1.318 176.152 174.900 -0.109 0.000 1.197 162 G CA -0.399 44.651 45.100 -0.083 0.000 0.870 162 G HN 0.739 nan 8.290 nan 0.000 0.548 163 C N -0.392 118.889 119.300 -0.032 0.000 2.418 163 C HA -0.141 2.410 4.460 -3.182 0.000 0.280 163 C C 2.195 177.152 174.990 -0.055 0.000 1.223 163 C CA 1.119 60.101 59.018 -0.061 0.000 1.736 163 C CB -1.620 26.069 27.740 -0.086 0.000 2.056 163 C HN 0.643 nan 8.230 nan 0.000 0.459 164 Y N 2.683 123.003 120.300 0.032 0.000 2.081 164 Y HA -0.040 2.603 4.550 -3.179 0.000 0.280 164 Y C 0.272 176.112 175.900 -0.099 0.000 1.163 164 Y CA 2.515 60.644 58.100 0.049 0.000 1.135 164 Y CB -2.197 36.413 38.460 0.250 0.000 0.970 164 Y HN 0.255 nan 8.280 nan 0.000 0.498 165 P HA -0.161 nan 4.420 nan 0.000 0.217 165 P C 1.555 178.856 177.300 0.001 0.000 1.148 165 P CA 2.457 65.506 63.100 -0.085 0.000 0.828 165 P CB -0.126 31.511 31.700 -0.106 0.000 0.783 166 T N -1.145 113.403 114.554 -0.011 0.000 2.777 166 T HA -0.139 2.302 4.350 -3.182 0.000 0.266 166 T C 1.812 176.514 174.700 0.003 0.000 1.040 166 T CA 2.186 64.279 62.100 -0.012 0.000 1.141 166 T CB -1.240 67.595 68.868 -0.055 0.000 0.868 166 T HN 0.332 nan 8.240 nan 0.000 0.444 167 T N 0.304 114.869 114.554 0.019 0.000 2.962 167 T HA 0.091 2.532 4.350 -3.182 0.000 0.270 167 T C 1.907 176.639 174.700 0.053 0.000 1.088 167 T CA 0.677 62.800 62.100 0.037 0.000 1.127 167 T CB -0.526 68.386 68.868 0.074 0.000 0.883 167 T HN 0.381 nan 8.240 nan 0.000 0.493 168 I N 0.371 120.972 120.570 0.051 0.000 2.628 168 I HA 0.030 2.291 4.170 -3.182 0.000 0.255 168 I C 2.935 179.078 176.117 0.043 0.000 1.119 168 I CA 0.639 61.964 61.300 0.042 0.000 1.448 168 I CB -0.239 37.760 38.000 -0.003 0.000 1.133 168 I HN 0.173 nan 8.210 nan 0.000 0.438 169 Q N 0.695 120.524 119.800 0.048 0.000 2.137 169 Q HA -0.045 2.386 4.340 -3.182 0.000 0.198 169 Q C 2.379 178.443 176.000 0.107 0.000 0.960 169 Q CA 1.058 56.906 55.803 0.075 0.000 0.847 169 Q CB 0.038 28.837 28.738 0.101 0.000 0.915 169 Q HN 0.468 nan 8.270 nan 0.000 0.448 170 L N 1.243 122.517 121.223 0.086 0.000 1.990 170 L HA -0.197 2.233 4.340 -3.182 0.000 0.213 170 L C -0.504 176.477 176.870 0.184 0.000 1.072 170 L CA 1.559 56.453 54.840 0.090 0.000 0.755 170 L CB -1.508 40.493 42.059 -0.096 0.000 0.889 170 L HN 0.263 nan 8.230 nan 0.000 0.432 171 P HA -0.105 nan 4.420 nan 0.000 0.221 171 P C 1.817 179.198 177.300 0.135 0.000 1.155 171 P CA 1.314 64.503 63.100 0.149 0.000 0.812 171 P CB 0.207 31.958 31.700 0.086 0.000 0.801 172 L N -0.823 120.464 121.223 0.106 0.000 2.162 172 L HA -0.039 2.392 4.340 -3.182 0.000 0.205 172 L C 2.745 179.663 176.870 0.080 0.000 1.086 172 L CA 0.785 55.675 54.840 0.084 0.000 0.778 172 L CB -1.083 41.016 42.059 0.067 0.000 0.928 172 L HN -0.201 nan 8.230 nan 0.000 0.446 173 V N 0.828 120.797 119.914 0.092 0.000 2.252 173 V HA -0.201 2.010 4.120 -3.182 0.000 0.249 173 V C -0.068 176.058 176.094 0.052 0.000 1.056 173 V CA 2.275 64.618 62.300 0.072 0.000 1.022 173 V CB -1.638 30.240 31.823 0.092 0.000 0.641 173 V HN 0.317 nan 8.190 nan 0.000 0.445 174 P HA -0.148 nan 4.420 nan 0.000 0.215 174 P C 1.923 179.230 177.300 0.012 0.000 1.157 174 P CA 1.490 64.589 63.100 -0.002 0.000 0.868 174 P CB -0.099 31.578 31.700 -0.039 0.000 0.788 175 L N -1.852 119.394 121.223 0.039 0.000 2.131 175 L HA -0.148 2.282 4.340 -3.182 0.000 0.210 175 L C 2.412 179.305 176.870 0.038 0.000 1.092 175 L CA 1.212 56.076 54.840 0.040 0.000 0.759 175 L CB -0.813 41.279 42.059 0.055 0.000 0.903 175 L HN 0.002 nan 8.230 nan 0.000 0.435 176 L N -0.364 120.882 121.223 0.038 0.000 2.095 176 L HA -0.145 2.286 4.340 -3.182 0.000 0.204 176 L C 2.596 179.475 176.870 0.013 0.000 1.080 176 L CA 0.928 55.788 54.840 0.033 0.000 0.759 176 L CB -0.348 41.730 42.059 0.032 0.000 0.914 176 L HN 0.185 nan 8.230 nan 0.000 0.439 177 K N 0.493 120.898 120.400 0.008 0.000 2.280 177 K HA -0.132 2.279 4.320 -3.182 0.000 0.202 177 K C 1.442 178.040 176.600 -0.003 0.000 1.047 177 K CA 1.201 57.486 56.287 -0.003 0.000 0.942 177 K CB 0.077 32.572 32.500 -0.008 0.000 0.739 177 K HN 0.297 nan 8.250 nan 0.000 0.457 178 A N 0.314 123.136 122.820 0.003 0.000 2.465 178 A HA 0.105 2.516 4.320 -3.182 0.000 0.255 178 A C 0.285 177.878 177.584 0.014 0.000 1.274 178 A CA -0.229 51.811 52.037 0.004 0.000 0.920 178 A CB 0.032 19.033 19.000 0.002 0.000 1.033 178 A HN 0.476 nan 8.150 nan 0.000 0.516 179 N N -0.482 118.230 118.700 0.019 0.000 2.678 179 N HA -0.174 2.657 4.740 -3.182 0.000 0.249 179 N C 0.658 176.191 175.510 0.037 0.000 1.119 179 N CA 0.972 54.041 53.050 0.031 0.000 0.718 179 N CB -1.130 37.372 38.487 0.026 0.000 1.060 179 N HN 0.595 nan 8.380 nan 0.000 0.552 180 L N -0.172 121.073 121.223 0.036 0.000 2.395 180 L HA 0.107 2.538 4.340 -3.182 0.000 0.218 180 L C 1.337 178.235 176.870 0.048 0.000 1.130 180 L CA 0.777 55.640 54.840 0.039 0.000 0.826 180 L CB -0.109 41.971 42.059 0.036 0.000 0.941 180 L HN 0.279 nan 8.230 nan 0.000 0.451 181 I N -4.083 116.521 120.570 0.056 0.000 2.647 181 I HA 0.388 2.648 4.170 -3.182 0.000 0.295 181 I C -0.479 175.686 176.117 0.081 0.000 1.078 181 I CA -1.067 60.272 61.300 0.065 0.000 1.048 181 I CB 1.772 39.813 38.000 0.068 0.000 1.239 181 I HN -0.178 nan 8.210 nan 0.000 0.421 182 K N 3.227 123.672 120.400 0.074 0.000 2.276 182 K HA 0.122 2.532 4.320 -3.182 0.000 0.259 182 K C 0.723 177.391 176.600 0.112 0.000 1.001 182 K CA -0.248 56.089 56.287 0.083 0.000 0.927 182 K CB 0.345 32.861 32.500 0.027 0.000 0.969 182 K HN 0.786 nan 8.250 nan 0.000 0.490 183 H N 0.219 119.306 119.070 0.030 0.000 2.551 183 H HA 0.200 2.846 4.556 -3.183 0.000 0.271 183 H C -0.411 174.936 175.328 0.032 0.000 0.984 183 H CA -0.065 56.001 56.048 0.029 0.000 1.164 183 H CB 0.529 30.304 29.762 0.023 0.000 1.437 183 H HN 0.477 nan 8.280 nan 0.000 0.550 184 E N 1.189 121.217 120.200 -0.287 0.000 2.232 184 E HA 0.172 2.613 4.350 -3.182 0.000 0.265 184 E C 0.057 176.620 176.600 -0.061 0.000 1.001 184 E CA -0.955 55.321 56.400 -0.205 0.000 0.870 184 E CB 0.794 30.334 29.700 -0.266 0.000 1.175 184 E HN 0.152 nan 8.360 nan 0.000 0.407 185 N N 0.473 119.158 118.700 -0.025 0.000 2.741 185 N HA -0.203 2.627 4.740 -3.182 0.000 0.250 185 N C -0.704 174.835 175.510 0.048 0.000 1.115 185 N CA 0.779 53.836 53.050 0.012 0.000 0.724 185 N CB -1.413 37.077 38.487 0.004 0.000 1.090 185 N HN 0.480 nan 8.380 nan 0.000 0.558 186 I N 1.621 122.225 120.570 0.058 0.000 2.363 186 I HA 0.156 2.416 4.170 -3.182 0.000 0.292 186 I C 0.839 177.023 176.117 0.112 0.000 1.075 186 I CA 0.104 61.458 61.300 0.090 0.000 1.333 186 I CB 0.332 38.381 38.000 0.082 0.000 1.415 186 I HN -0.014 nan 8.210 nan 0.000 0.502 187 I N 7.833 128.498 120.570 0.158 0.000 2.354 187 I HA 0.410 2.670 4.170 -3.182 0.000 0.292 187 I C -0.291 175.982 176.117 0.259 0.000 0.989 187 I CA -0.530 60.879 61.300 0.182 0.000 1.188 187 I CB 1.562 39.650 38.000 0.147 0.000 1.342 187 I HN 0.404 nan 8.210 nan 0.000 0.457 188 I N 5.377 126.083 120.570 0.225 0.000 2.382 188 I HA 0.242 2.502 4.170 -3.182 0.000 0.286 188 I C -0.391 175.844 176.117 0.196 0.000 1.002 188 I CA -0.314 61.130 61.300 0.241 0.000 1.135 188 I CB 1.545 39.727 38.000 0.303 0.000 1.288 188 I HN 0.513 nan 8.210 nan 0.000 0.448 189 D N 6.903 127.424 120.400 0.201 0.000 2.485 189 D HA 0.468 3.198 4.640 -3.182 0.000 0.229 189 D C -0.546 175.810 176.300 0.093 0.000 1.101 189 D CA -0.131 53.947 54.000 0.131 0.000 0.906 189 D CB 1.441 42.312 40.800 0.119 0.000 1.019 189 D HN 0.600 nan 8.370 nan 0.000 0.516 190 A N 3.281 126.154 122.820 0.089 0.000 2.295 190 A HA 0.675 3.085 4.320 -3.182 0.000 0.318 190 A C -0.405 177.346 177.584 0.279 0.000 1.134 190 A CA -0.526 51.617 52.037 0.178 0.000 0.827 190 A CB 0.907 20.000 19.000 0.156 0.000 1.136 190 A HN 0.414 nan 8.150 nan 0.000 0.493 191 K N 0.297 120.907 120.400 0.350 0.000 2.422 191 K HA 0.711 3.121 4.320 -3.182 0.000 0.251 191 K C -0.788 175.995 176.600 0.304 0.000 0.933 191 K CA -0.305 56.166 56.287 0.307 0.000 0.798 191 K CB 2.106 34.698 32.500 0.152 0.000 1.238 191 K HN 0.645 nan 8.250 nan 0.000 0.428 192 S N 0.408 116.279 115.700 0.284 0.000 2.556 192 S HA 0.753 3.314 4.470 -3.182 0.000 0.271 192 S C -0.552 174.101 174.600 0.089 0.000 1.135 192 S CA -0.635 57.638 58.200 0.121 0.000 0.858 192 S CB 1.142 64.363 63.200 0.035 0.000 1.114 192 S HN 0.716 nan 8.310 nan 0.000 0.468 193 G N 0.860 109.666 108.800 0.009 0.000 2.569 193 G HA2 0.368 2.419 3.960 -3.182 0.000 0.249 193 G HA3 0.368 2.418 3.960 -3.182 0.000 0.249 193 G C 0.975 175.873 174.900 -0.003 0.000 1.216 193 G CA -0.132 44.962 45.100 -0.010 0.000 0.845 193 G HN 0.982 nan 8.290 nan 0.000 0.568 194 V N 1.095 121.000 119.914 -0.015 0.000 3.305 194 V HA -0.110 2.101 4.120 -3.182 0.000 0.269 194 V C 2.719 178.831 176.094 0.031 0.000 1.157 194 V CA 2.252 64.544 62.300 -0.013 0.000 1.157 194 V CB -0.577 31.229 31.823 -0.029 0.000 0.772 194 V HN 0.874 nan 8.190 nan 0.000 0.498 195 S N 0.076 115.783 115.700 0.012 0.000 2.419 195 S HA -0.067 2.494 4.470 -3.182 0.000 0.233 195 S C 1.959 176.646 174.600 0.144 0.000 1.016 195 S CA 1.189 59.415 58.200 0.043 0.000 0.974 195 S CB -0.818 62.302 63.200 -0.133 0.000 0.786 195 S HN 0.674 nan 8.310 nan 0.000 0.492 196 G N 0.607 109.451 108.800 0.075 0.000 2.679 196 G HA2 0.303 2.354 3.960 -3.182 0.000 0.212 196 G HA3 0.303 2.354 3.960 -3.182 0.000 0.212 196 G C 1.056 176.025 174.900 0.116 0.000 1.137 196 G CA 0.295 45.452 45.100 0.095 0.000 0.787 196 G HN 0.772 nan 8.290 nan 0.000 0.534 197 A N -0.008 122.867 122.820 0.091 0.000 2.370 197 A HA 0.581 2.992 4.320 -3.182 0.000 0.238 197 A C 1.527 179.151 177.584 0.065 0.000 1.289 197 A CA 0.890 52.956 52.037 0.049 0.000 0.885 197 A CB -0.699 18.290 19.000 -0.018 0.000 0.961 197 A HN 1.565 nan 8.150 nan 0.000 0.499 198 G N -0.156 108.715 108.800 0.118 0.000 2.806 198 G HA2 -0.283 1.768 3.960 -3.182 0.000 0.236 198 G HA3 -0.283 1.768 3.960 -3.182 0.000 0.236 198 G C 0.348 175.152 174.900 -0.160 0.000 1.387 198 G CA 0.136 45.234 45.100 -0.004 0.000 0.884 198 G HN 0.653 nan 8.290 nan 0.000 0.560 199 R N 0.493 120.703 120.500 -0.484 0.000 2.586 199 R HA 0.368 2.799 4.340 -3.182 0.000 0.306 199 R C 1.338 177.526 176.300 -0.187 0.000 1.079 199 R CA 0.534 56.349 56.100 -0.475 0.000 1.083 199 R CB -0.683 29.122 30.300 -0.825 0.000 1.306 199 R HN 0.948 nan 8.270 nan 0.000 0.567 200 G N 0.008 108.741 108.800 -0.112 0.000 2.442 200 G HA2 0.311 2.362 3.960 -3.182 0.000 0.249 200 G HA3 0.311 2.362 3.960 -3.182 0.000 0.249 200 G C -0.362 174.515 174.900 -0.039 0.000 1.263 200 G CA -0.405 44.656 45.100 -0.065 0.000 0.846 200 G HN 0.332 nan 8.290 nan 0.000 0.555 201 A N 2.291 125.091 122.820 -0.032 0.000 2.539 201 A HA 0.594 3.005 4.320 -3.182 0.000 0.306 201 A C 0.295 177.872 177.584 -0.012 0.000 1.392 201 A CA -0.153 51.874 52.037 -0.017 0.000 1.060 201 A CB 0.065 19.054 19.000 -0.018 0.000 1.134 201 A HN 0.516 nan 8.150 nan 0.000 0.542 202 K N 0.600 120.995 120.400 -0.008 0.000 2.443 202 K HA 0.358 2.768 4.320 -3.182 0.000 0.251 202 K C 0.848 177.445 176.600 -0.005 0.000 0.972 202 K CA -0.653 55.628 56.287 -0.009 0.000 0.833 202 K CB 1.528 34.020 32.500 -0.015 0.000 1.317 202 K HN 0.583 nan 8.250 nan 0.000 0.441 203 E N 1.173 121.369 120.200 -0.006 0.000 2.058 203 E HA -0.200 2.241 4.350 -3.182 0.000 0.194 203 E C 0.907 177.502 176.600 -0.009 0.000 0.997 203 E CA 1.589 57.986 56.400 -0.004 0.000 0.801 203 E CB 0.021 29.718 29.700 -0.005 0.000 0.746 203 E HN 0.636 nan 8.360 nan 0.000 0.450 204 A N 0.548 123.357 122.820 -0.017 0.000 2.264 204 A HA -0.052 2.359 4.320 -3.182 0.000 0.207 204 A C 0.980 178.543 177.584 -0.035 0.000 1.196 204 A CA 0.575 52.595 52.037 -0.029 0.000 0.778 204 A CB -0.260 18.717 19.000 -0.039 0.000 0.779 204 A HN 0.314 nan 8.150 nan 0.000 0.483 205 N N -0.733 117.956 118.700 -0.018 0.000 2.170 205 N HA 0.200 3.031 4.740 -3.182 0.000 0.222 205 N C -0.401 175.119 175.510 0.017 0.000 1.218 205 N CA -0.100 52.947 53.050 -0.007 0.000 0.889 205 N CB 0.646 39.136 38.487 0.006 0.000 1.083 205 N HN 0.358 nan 8.380 nan 0.000 0.520 206 L N 0.961 122.195 121.223 0.017 0.000 2.417 206 L HA 0.075 2.505 4.340 -3.182 0.000 0.268 206 L C 1.753 178.655 176.870 0.053 0.000 1.158 206 L CA -0.359 54.512 54.840 0.052 0.000 0.819 206 L CB 0.534 42.621 42.059 0.047 0.000 1.112 206 L HN 0.055 nan 8.230 nan 0.000 0.458 207 Y N 1.880 122.186 120.300 0.010 0.000 2.102 207 Y HA -0.349 2.286 4.550 -3.192 0.000 0.280 207 Y C 2.472 178.374 175.900 0.005 0.000 1.178 207 Y CA 2.270 60.374 58.100 0.007 0.000 1.146 207 Y CB 0.049 38.513 38.460 0.006 0.000 0.968 207 Y HN 0.705 nan 8.280 nan 0.000 0.504 208 S N 0.223 116.028 115.700 0.176 0.000 2.370 208 S HA -0.212 2.349 4.470 -3.182 0.000 0.226 208 S C 1.792 176.375 174.600 -0.029 0.000 1.033 208 S CA 1.524 59.783 58.200 0.098 0.000 1.011 208 S CB -0.298 62.965 63.200 0.105 0.000 0.852 208 S HN 0.541 nan 8.310 nan 0.000 0.457 209 E N 0.806 120.986 120.200 -0.034 0.000 2.047 209 E HA -0.052 2.388 4.350 -3.182 0.000 0.191 209 E C 2.142 178.687 176.600 -0.092 0.000 0.987 209 E CA 0.771 57.142 56.400 -0.048 0.000 0.799 209 E CB -0.295 29.387 29.700 -0.030 0.000 0.752 209 E HN 0.394 nan 8.360 nan 0.000 0.449 210 I N 1.488 121.973 120.570 -0.142 0.000 2.233 210 I HA -0.070 2.191 4.170 -3.182 0.000 0.243 210 I C 1.284 177.266 176.117 -0.226 0.000 1.093 210 I CA 0.259 61.459 61.300 -0.167 0.000 1.380 210 I CB -1.498 36.404 38.000 -0.164 0.000 1.067 210 I HN -0.173 nan 8.210 nan 0.000 0.413 211 A N 2.024 124.594 122.820 -0.417 0.000 2.603 211 A HA -0.052 2.359 4.320 -3.182 0.000 0.235 211 A C 0.415 177.895 177.584 -0.173 0.000 1.035 211 A CA 0.257 52.045 52.037 -0.416 0.000 0.755 211 A CB -0.381 18.213 19.000 -0.677 0.000 0.954 211 A HN 0.508 nan 8.150 nan 0.000 0.511 212 E N -0.464 119.673 120.200 -0.105 0.000 7.656 212 E HA -0.002 2.438 4.350 -3.182 0.000 0.464 212 E C 0.304 176.883 176.600 -0.036 0.000 0.427 212 E CA 1.940 58.314 56.400 -0.043 0.000 0.757 212 E CB -1.286 28.402 29.700 -0.019 0.000 0.971 212 E HN 2.699 nan 8.360 nan 0.000 0.293 213 G N 0.874 109.666 108.800 -0.013 0.000 2.692 213 G HA2 0.043 2.094 3.960 -3.182 0.000 0.686 213 G HA3 0.043 2.094 3.960 -3.182 0.000 0.686 213 G C -0.113 174.793 174.900 0.010 0.000 1.243 213 G CA -0.375 44.725 45.100 -0.000 0.000 0.782 213 G HN 1.078 nan 8.290 nan 0.000 0.625 214 I N -1.650 118.939 120.570 0.033 0.000 3.002 214 I HA 0.975 3.236 4.170 -3.182 0.000 0.310 214 I C 0.126 176.291 176.117 0.080 0.000 1.087 214 I CA -0.667 60.672 61.300 0.065 0.000 1.017 214 I CB 2.554 40.610 38.000 0.092 0.000 1.226 214 I HN 1.384 nan 8.210 nan 0.000 0.443 215 S N 1.489 117.258 115.700 0.116 0.000 2.564 215 S HA 0.523 3.084 4.470 -3.182 0.000 0.274 215 S C -0.782 173.883 174.600 0.108 0.000 1.124 215 S CA -0.761 57.501 58.200 0.103 0.000 0.869 215 S CB 1.616 64.861 63.200 0.075 0.000 1.105 215 S HN 0.628 nan 8.310 nan 0.000 0.472 216 S N 2.574 118.277 115.700 0.004 0.000 2.473 216 S HA 0.426 2.987 4.470 -3.182 0.000 0.312 216 S C -0.443 174.079 174.600 -0.130 0.000 1.087 216 S CA -0.665 57.390 58.200 -0.242 0.000 1.077 216 S CB -0.949 62.098 63.200 -0.255 0.000 1.065 216 S HN 0.626 nan 8.310 nan 0.000 0.510 217 Y N -0.250 119.926 120.300 -0.206 0.000 2.392 217 Y HA 0.682 3.330 4.550 -3.170 0.000 0.323 217 Y C 0.862 176.682 175.900 -0.133 0.000 1.291 217 Y CA -1.469 56.561 58.100 -0.117 0.000 1.345 217 Y CB -0.335 38.096 38.460 -0.047 0.000 1.320 217 Y HN 0.625 nan 8.280 nan 0.000 0.518 218 G N 1.009 109.827 108.800 0.030 0.000 2.369 218 G HA2 -0.148 1.902 3.960 -3.182 0.000 0.286 218 G HA3 -0.148 1.902 3.960 -3.182 0.000 0.286 218 G C -0.476 174.331 174.900 -0.155 0.000 0.938 218 G CA 0.267 45.359 45.100 -0.013 0.000 1.271 218 G HN 0.693 nan 8.290 nan 0.000 0.488 219 V N 0.709 120.544 119.914 -0.132 0.000 2.785 219 V HA 0.633 2.844 4.120 -3.182 0.000 0.300 219 V C 1.883 177.943 176.094 -0.057 0.000 1.062 219 V CA 0.674 62.886 62.300 -0.147 0.000 1.029 219 V CB 1.121 32.870 31.823 -0.122 0.000 1.024 219 V HN 1.098 nan 8.190 nan 0.000 0.477 220 T N 0.675 115.205 114.554 -0.039 0.000 11.562 220 T HA -0.306 2.134 4.350 -3.182 0.000 0.412 220 T C 0.551 175.307 174.700 0.095 0.000 1.498 220 T CA 2.119 64.231 62.100 0.021 0.000 2.462 220 T CB -0.598 68.275 68.868 0.009 0.000 2.836 220 T HN 0.861 nan 8.240 nan 0.000 0.936 221 R N 1.367 121.933 120.500 0.110 0.000 2.564 221 R HA 0.563 2.994 4.340 -3.182 0.000 0.284 221 R C -1.823 174.627 176.300 0.250 0.000 1.031 221 R CA -0.680 55.563 56.100 0.238 0.000 0.904 221 R CB 1.491 31.877 30.300 0.143 0.000 1.199 221 R HN 0.505 nan 8.270 nan 0.000 0.443 222 H N 3.511 122.724 119.070 0.239 0.000 3.038 222 H HA 0.239 2.883 4.556 -3.187 0.000 0.362 222 H C -0.286 175.118 175.328 0.126 0.000 1.167 222 H CA -0.463 55.672 56.048 0.145 0.000 1.197 222 H CB 1.912 31.743 29.762 0.115 0.000 1.840 222 H HN 0.745 nan 8.280 nan 0.000 0.540 223 R N 1.085 121.356 120.500 -0.381 0.000 2.293 223 R HA -0.071 2.360 4.340 -3.182 0.000 0.219 223 R C 1.120 177.439 176.300 0.032 0.000 1.091 223 R CA 1.107 57.092 56.100 -0.191 0.000 1.004 223 R CB -0.029 30.130 30.300 -0.235 0.000 0.865 223 R HN 0.611 nan 8.270 nan 0.000 0.469 224 H N -1.163 118.082 119.070 0.291 0.000 2.535 224 H HA 0.027 2.671 4.556 -3.185 0.000 0.273 224 H C 1.843 177.024 175.328 -0.245 0.000 0.983 224 H CA 0.096 56.196 56.048 0.086 0.000 1.238 224 H CB 0.535 30.361 29.762 0.107 0.000 1.412 224 H HN -0.026 nan 8.280 nan 0.000 0.562 225 V N 2.358 122.178 119.914 -0.157 0.000 2.252 225 V HA -0.224 1.986 4.120 -3.182 0.000 0.249 225 V C -0.387 175.426 176.094 -0.469 0.000 1.056 225 V CA 2.067 64.165 62.300 -0.336 0.000 1.022 225 V CB -1.236 30.387 31.823 -0.334 0.000 0.641 225 V HN 0.464 nan 8.190 nan 0.000 0.445 226 P HA -0.203 nan 4.420 nan 0.000 0.218 226 P C 1.535 178.654 177.300 -0.302 0.000 1.149 226 P CA 1.715 64.444 63.100 -0.619 0.000 0.817 226 P CB 0.083 31.186 31.700 -0.996 0.000 0.785 227 E N -0.178 119.888 120.200 -0.223 0.000 2.152 227 E HA -0.091 2.350 4.350 -3.182 0.000 0.192 227 E C 2.096 178.586 176.600 -0.183 0.000 0.983 227 E CA 0.510 56.825 56.400 -0.143 0.000 0.818 227 E CB -0.329 29.362 29.700 -0.016 0.000 0.758 227 E HN 0.176 nan 8.360 nan 0.000 0.467 228 I N 1.042 121.489 120.570 -0.206 0.000 2.141 228 I HA -0.235 2.026 4.170 -3.182 0.000 0.236 228 I C 2.336 178.367 176.117 -0.144 0.000 1.071 228 I CA 1.235 62.419 61.300 -0.193 0.000 1.345 228 I CB -0.288 37.543 38.000 -0.282 0.000 1.066 228 I HN 0.105 nan 8.210 nan 0.000 0.406 229 E N 0.493 120.607 120.200 -0.144 0.000 2.070 229 E HA -0.338 2.102 4.350 -3.182 0.000 0.197 229 E C 2.049 178.596 176.600 -0.088 0.000 1.004 229 E CA 1.448 57.795 56.400 -0.088 0.000 0.805 229 E CB -0.278 29.377 29.700 -0.076 0.000 0.744 229 E HN 0.464 nan 8.360 nan 0.000 0.451 230 Q N 0.427 120.152 119.800 -0.125 0.000 1.954 230 Q HA -0.269 2.161 4.340 -3.182 0.000 0.215 230 Q C 2.264 178.188 176.000 -0.127 0.000 1.026 230 Q CA 2.315 58.042 55.803 -0.127 0.000 0.881 230 Q CB -0.634 27.993 28.738 -0.185 0.000 0.977 230 Q HN 0.327 nan 8.270 nan 0.000 0.416 231 G N 1.098 109.790 108.800 -0.179 0.000 2.631 231 G HA2 -0.318 1.732 3.960 -3.182 0.000 0.219 231 G HA3 -0.318 1.732 3.960 -3.182 0.000 0.219 231 G C 1.499 176.363 174.900 -0.060 0.000 1.214 231 G CA 1.541 46.561 45.100 -0.133 0.000 0.785 231 G HN 0.414 nan 8.290 nan 0.000 0.596 232 L N 0.473 121.671 121.223 -0.043 0.000 2.013 232 L HA -0.174 2.257 4.340 -3.182 0.000 0.212 232 L C 3.109 179.966 176.870 -0.022 0.000 1.073 232 L CA 1.684 56.516 54.840 -0.013 0.000 0.753 232 L CB -0.754 41.308 42.059 0.004 0.000 0.890 232 L HN 0.426 nan 8.230 nan 0.000 0.432 233 S N -0.363 115.319 115.700 -0.031 0.000 2.368 233 S HA -0.206 2.355 4.470 -3.182 0.000 0.225 233 S C 1.625 176.196 174.600 -0.048 0.000 1.030 233 S CA 1.566 59.744 58.200 -0.037 0.000 0.999 233 S CB -0.262 62.923 63.200 -0.024 0.000 0.844 233 S HN 0.406 nan 8.310 nan 0.000 0.459 234 D N 0.429 120.801 120.400 -0.046 0.000 2.263 234 D HA -0.023 2.708 4.640 -3.182 0.000 0.208 234 D C 1.750 178.030 176.300 -0.034 0.000 0.971 234 D CA 0.857 54.834 54.000 -0.040 0.000 0.867 234 D CB 0.026 40.800 40.800 -0.043 0.000 0.929 234 D HN 0.378 nan 8.370 nan 0.000 0.492 235 V N 0.323 120.217 119.914 -0.032 0.000 3.307 235 V HA 0.131 2.341 4.120 -3.182 0.000 0.253 235 V C 2.105 178.172 176.094 -0.044 0.000 1.149 235 V CA 0.929 63.214 62.300 -0.025 0.000 1.112 235 V CB 0.304 32.123 31.823 -0.006 0.000 0.777 235 V HN 0.098 nan 8.190 nan 0.000 0.464 236 A N -1.000 121.776 122.820 -0.074 0.000 2.238 236 A HA 0.072 2.483 4.320 -3.182 0.000 0.210 236 A C 1.253 178.738 177.584 -0.165 0.000 1.179 236 A CA 0.236 52.188 52.037 -0.142 0.000 0.827 236 A CB -0.019 18.845 19.000 -0.228 0.000 0.856 236 A HN 0.446 nan 8.150 nan 0.000 0.488 237 Q N -0.492 119.244 119.800 -0.106 0.000 2.481 237 Q HA -0.180 2.251 4.340 -3.182 0.000 0.258 237 Q C -0.047 175.893 176.000 -0.101 0.000 0.961 237 Q CA 1.229 56.983 55.803 -0.082 0.000 1.121 237 Q CB -2.969 25.729 28.738 -0.066 0.000 1.503 237 Q HN 1.233 nan 8.270 nan 0.000 0.544 238 S N -2.231 113.385 115.700 -0.139 0.000 2.547 238 S HA 0.605 3.166 4.470 -3.182 0.000 0.270 238 S C -0.718 173.843 174.600 -0.065 0.000 1.150 238 S CA -1.240 56.887 58.200 -0.122 0.000 0.850 238 S CB 2.637 65.694 63.200 -0.240 0.000 1.118 238 S HN 0.091 nan 8.310 nan 0.000 0.461 239 K N 1.391 121.802 120.400 0.018 0.000 2.451 239 K HA 0.404 2.815 4.320 -3.182 0.000 0.280 239 K C -0.983 175.692 176.600 0.124 0.000 1.020 239 K CA -0.033 56.287 56.287 0.056 0.000 1.008 239 K CB 0.017 32.556 32.500 0.065 0.000 0.917 239 K HN 0.594 nan 8.250 nan 0.000 0.478 240 V N 4.587 124.562 119.914 0.101 0.000 2.417 240 V HA 0.360 2.571 4.120 -3.182 0.000 0.291 240 V C -0.355 175.790 176.094 0.085 0.000 1.024 240 V CA -0.730 61.655 62.300 0.140 0.000 0.861 240 V CB 1.868 33.758 31.823 0.111 0.000 0.985 240 V HN 0.844 nan 8.190 nan 0.000 0.436 241 T N 4.749 119.353 114.554 0.084 0.000 2.842 241 T HA 0.510 2.950 4.350 -3.182 0.000 0.308 241 T C -0.105 174.631 174.700 0.060 0.000 1.041 241 T CA -0.313 61.827 62.100 0.068 0.000 0.964 241 T CB 1.192 70.101 68.868 0.068 0.000 0.972 241 T HN 0.655 nan 8.240 nan 0.000 0.460 242 V N 0.967 120.917 119.914 0.061 0.000 3.336 242 V HA 0.864 3.075 4.120 -3.182 0.000 0.314 242 V C 0.285 176.436 176.094 0.094 0.000 1.088 242 V CA -0.880 61.464 62.300 0.073 0.000 1.033 242 V CB 1.876 33.740 31.823 0.068 0.000 1.181 242 V HN 0.669 nan 8.190 nan 0.000 0.449 243 S N 1.073 116.840 115.700 0.110 0.000 2.399 243 S HA 0.468 3.029 4.470 -3.182 0.000 0.215 243 S C -1.038 173.654 174.600 0.153 0.000 1.456 243 S CA -0.515 57.750 58.200 0.108 0.000 1.199 243 S CB -0.400 62.842 63.200 0.071 0.000 1.063 243 S HN 0.800 nan 8.310 nan 0.000 0.476 244 F N 3.965 123.902 119.950 -0.021 0.000 2.394 244 F HA 0.666 3.281 4.527 -3.187 0.000 0.340 244 F C -0.162 175.560 175.800 -0.130 0.000 1.105 244 F CA -0.097 57.858 58.000 -0.074 0.000 1.124 244 F CB 1.461 40.399 39.000 -0.104 0.000 1.145 244 F HN 0.319 nan 8.300 nan 0.000 0.505 245 T N 7.478 121.568 114.554 -0.774 0.000 2.965 245 T HA 0.331 2.771 4.350 -3.182 0.000 0.306 245 T C -2.830 171.200 174.700 -1.117 0.000 0.991 245 T CA -1.188 60.410 62.100 -0.837 0.000 1.001 245 T CB 1.554 70.222 68.868 -0.332 0.000 0.984 245 T HN 0.283 nan 8.240 nan 0.000 0.446 246 P HA 0.435 nan 4.420 nan 0.000 0.275 246 P C -0.871 175.761 177.300 -1.112 0.000 1.228 246 P CA -0.402 61.868 63.100 -1.383 0.000 0.786 246 P CB 0.412 30.936 31.700 -1.960 0.000 0.927 247 H N 0.539 119.447 119.070 -0.270 0.000 2.934 247 H HA 0.405 3.051 4.556 -3.183 0.000 0.340 247 H C -0.875 174.641 175.328 0.312 0.000 1.008 247 H CA -0.741 55.327 56.048 0.032 0.000 1.317 247 H CB 0.920 30.682 29.762 0.000 0.000 1.670 247 H HN 0.224 nan 8.280 nan 0.000 0.516 248 L N 3.370 124.875 121.223 0.471 0.000 2.331 248 L HA 0.368 2.799 4.340 -3.182 0.000 0.278 248 L C -0.761 176.206 176.870 0.163 0.000 1.106 248 L CA -0.159 54.858 54.840 0.294 0.000 0.824 248 L CB 0.349 42.454 42.059 0.077 0.000 1.142 248 L HN 0.593 nan 8.230 nan 0.000 0.443 249 M N 7.020 126.686 119.600 0.110 0.000 2.404 249 M HA 0.410 2.981 4.480 -3.182 0.000 0.338 249 M C -2.211 174.092 176.300 0.005 0.000 1.150 249 M CA -2.402 52.932 55.300 0.056 0.000 1.016 249 M CB 1.326 33.953 32.600 0.045 0.000 1.672 249 M HN 0.363 nan 8.290 nan 0.000 0.448 250 P HA 0.214 nan 4.420 nan 0.000 0.237 250 P C -1.098 176.174 177.300 -0.047 0.000 1.788 250 P CA 0.128 63.195 63.100 -0.054 0.000 1.061 250 P CB -0.554 31.111 31.700 -0.059 0.000 1.967 251 M N -0.713 118.860 119.600 -0.044 0.000 2.833 251 M HA 0.390 2.960 4.480 -3.182 0.000 0.270 251 M C -0.465 175.808 176.300 -0.045 0.000 1.209 251 M CA -0.862 54.413 55.300 -0.041 0.000 0.826 251 M CB 0.904 33.474 32.600 -0.051 0.000 1.657 251 M HN -0.269 nan 8.290 nan 0.000 0.492 252 I N -0.074 120.464 120.570 -0.052 0.000 2.385 252 I HA 0.147 2.408 4.170 -3.182 0.000 0.244 252 I C 1.094 177.159 176.117 -0.087 0.000 1.089 252 I CA 0.560 61.817 61.300 -0.072 0.000 1.410 252 I CB -0.042 37.903 38.000 -0.093 0.000 1.117 252 I HN 0.612 nan 8.210 nan 0.000 0.429 253 R N 0.312 120.758 120.500 -0.090 0.000 2.875 253 R HA 0.628 3.058 4.340 -3.182 0.000 0.251 253 R C -0.500 175.748 176.300 -0.087 0.000 1.123 253 R CA -0.216 55.827 56.100 -0.094 0.000 1.064 253 R CB 1.561 31.801 30.300 -0.100 0.000 1.205 253 R HN 0.275 nan 8.270 nan 0.000 0.503 254 G N 0.733 109.481 108.800 -0.086 0.000 2.675 254 G HA2 -0.044 2.006 3.960 -3.182 0.000 0.686 254 G HA3 -0.044 2.006 3.960 -3.182 0.000 0.686 254 G C -1.003 173.856 174.900 -0.068 0.000 1.215 254 G CA -0.432 44.620 45.100 -0.080 0.000 0.777 254 G HN 0.571 nan 8.290 nan 0.000 0.638 255 M N 0.867 120.437 119.600 -0.051 0.000 2.471 255 M HA 0.722 3.293 4.480 -3.182 0.000 0.284 255 M C -1.458 174.861 176.300 0.031 0.000 1.203 255 M CA -0.780 54.505 55.300 -0.026 0.000 0.915 255 M CB 2.130 34.658 32.600 -0.120 0.000 1.734 255 M HN 1.019 nan 8.290 nan 0.000 0.485 256 Q N 2.251 122.110 119.800 0.098 0.000 2.271 256 Q HA 0.529 2.960 4.340 -3.182 0.000 0.268 256 Q C -1.886 174.212 176.000 0.164 0.000 1.021 256 Q CA -0.431 55.434 55.803 0.103 0.000 0.802 256 Q CB 2.334 31.112 28.738 0.068 0.000 1.282 256 Q HN 0.763 nan 8.270 nan 0.000 0.431 257 S N 2.819 118.614 115.700 0.158 0.000 2.475 257 S HA 0.234 2.794 4.470 -3.182 0.000 0.249 257 S C -0.607 174.034 174.600 0.068 0.000 1.298 257 S CA -0.441 57.867 58.200 0.180 0.000 1.125 257 S CB 1.020 64.356 63.200 0.227 0.000 1.054 257 S HN 0.591 nan 8.310 nan 0.000 0.484 258 T N 4.150 118.713 114.554 0.015 0.000 2.784 258 T HA 0.248 2.689 4.350 -3.182 0.000 0.291 258 T C 0.259 174.809 174.700 -0.250 0.000 0.942 258 T CA 0.312 62.326 62.100 -0.144 0.000 1.161 258 T CB -0.264 68.525 68.868 -0.132 0.000 0.885 258 T HN 0.419 nan 8.240 nan 0.000 0.534 259 I N 3.700 124.067 120.570 -0.338 0.000 2.404 259 I HA 0.354 2.614 4.170 -3.182 0.000 0.293 259 I C -0.867 174.990 176.117 -0.433 0.000 0.992 259 I CA -1.034 60.120 61.300 -0.244 0.000 1.149 259 I CB 1.362 39.332 38.000 -0.050 0.000 1.315 259 I HN 0.568 nan 8.210 nan 0.000 0.446 260 Y N 5.875 126.209 120.300 0.057 0.000 2.356 260 Y HA 0.532 3.172 4.550 -3.183 0.000 0.334 260 Y C 0.089 176.019 175.900 0.050 0.000 0.958 260 Y CA -0.945 57.184 58.100 0.049 0.000 1.196 260 Y CB 1.498 39.977 38.460 0.032 0.000 1.137 260 Y HN 0.317 nan 8.280 nan 0.000 0.485 261 V N -0.568 119.435 119.914 0.149 0.000 2.960 261 V HA 0.649 2.859 4.120 -3.182 0.000 0.315 261 V C -0.601 175.552 176.094 0.098 0.000 1.087 261 V CA -1.234 61.132 62.300 0.110 0.000 0.982 261 V CB 2.297 34.170 31.823 0.083 0.000 1.039 261 V HN 0.665 nan 8.190 nan 0.000 0.437 262 E N 2.997 123.241 120.200 0.075 0.000 2.134 262 E HA 0.476 2.916 4.350 -3.182 0.000 0.278 262 E C -0.515 176.119 176.600 0.056 0.000 0.959 262 E CA -0.487 55.949 56.400 0.060 0.000 0.783 262 E CB 1.761 31.485 29.700 0.041 0.000 1.095 262 E HN 0.671 nan 8.360 nan 0.000 0.399 263 M N 1.599 121.232 119.600 0.055 0.000 2.207 263 M HA 0.215 2.785 4.480 -3.182 0.000 0.311 263 M C 0.384 176.711 176.300 0.045 0.000 1.127 263 M CA -0.057 55.274 55.300 0.052 0.000 1.181 263 M CB 0.545 33.175 32.600 0.049 0.000 1.409 263 M HN 0.516 nan 8.290 nan 0.000 0.461 264 A N 1.729 124.575 122.820 0.044 0.000 2.322 264 A HA 0.535 2.946 4.320 -3.182 0.000 0.269 264 A C -2.393 175.211 177.584 0.033 0.000 1.094 264 A CA -1.547 50.515 52.037 0.041 0.000 0.807 264 A CB -0.569 18.456 19.000 0.043 0.000 1.047 264 A HN 0.447 nan 8.150 nan 0.000 0.487 265 P HA 0.135 nan 4.420 nan 0.000 0.259 265 P C 1.083 178.396 177.300 0.022 0.000 1.163 265 P CA 2.182 65.297 63.100 0.024 0.000 0.760 265 P CB 0.339 32.052 31.700 0.022 0.000 0.762 266 G N 1.283 110.095 108.800 0.020 0.000 2.267 266 G HA2 -0.257 1.793 3.960 -3.182 0.000 0.257 266 G HA3 -0.257 1.793 3.960 -3.182 0.000 0.257 266 G C 0.226 175.138 174.900 0.019 0.000 0.998 266 G CA 0.092 45.203 45.100 0.018 0.000 0.620 266 G HN 0.557 nan 8.290 nan 0.000 0.529 267 V N 1.655 121.584 119.914 0.024 0.000 2.686 267 V HA 0.575 2.785 4.120 -3.182 0.000 0.295 267 V C 0.921 177.032 176.094 0.028 0.000 1.055 267 V CA 0.016 62.332 62.300 0.026 0.000 1.050 267 V CB 1.271 33.113 31.823 0.032 0.000 0.984 267 V HN 0.459 nan 8.190 nan 0.000 0.482 268 R N 1.448 121.963 120.500 0.026 0.000 2.854 268 R HA 0.385 2.815 4.340 -3.182 0.000 0.271 268 R C 1.432 177.751 176.300 0.032 0.000 0.996 268 R CA -0.046 56.070 56.100 0.026 0.000 0.961 268 R CB 1.482 31.791 30.300 0.014 0.000 1.182 268 R HN 0.866 nan 8.270 nan 0.000 0.479 269 T N -1.423 113.152 114.554 0.035 0.000 2.714 269 T HA -0.232 2.208 4.350 -3.182 0.000 0.268 269 T C 1.241 175.970 174.700 0.049 0.000 1.036 269 T CA 1.710 63.836 62.100 0.045 0.000 1.148 269 T CB -0.159 68.732 68.868 0.038 0.000 0.856 269 T HN 0.536 nan 8.240 nan 0.000 0.462 270 E N 1.547 121.754 120.200 0.012 0.000 2.085 270 E HA -0.094 2.346 4.350 -3.182 0.000 0.194 270 E C 2.213 178.845 176.600 0.053 0.000 0.994 270 E CA 1.462 57.856 56.400 -0.010 0.000 0.801 270 E CB -0.408 29.263 29.700 -0.047 0.000 0.743 270 E HN 0.631 nan 8.360 nan 0.000 0.453 271 D N 0.119 120.545 120.400 0.044 0.000 2.084 271 D HA -0.128 2.603 4.640 -3.182 0.000 0.194 271 D C 2.106 178.444 176.300 0.064 0.000 0.990 271 D CA 0.874 54.902 54.000 0.047 0.000 0.826 271 D CB -0.246 40.574 40.800 0.033 0.000 0.971 271 D HN 0.191 nan 8.370 nan 0.000 0.453 272 L N 0.641 121.904 121.223 0.068 0.000 2.042 272 L HA -0.200 2.230 4.340 -3.182 0.000 0.210 272 L C 2.652 179.569 176.870 0.078 0.000 1.076 272 L CA 1.188 56.067 54.840 0.065 0.000 0.749 272 L CB -0.907 41.191 42.059 0.065 0.000 0.893 272 L HN 0.203 nan 8.230 nan 0.000 0.432 273 H N 0.621 119.686 119.070 -0.008 0.000 2.352 273 H HA -0.225 2.422 4.556 -3.182 0.000 0.299 273 H C 2.229 177.549 175.328 -0.013 0.000 1.097 273 H CA 2.298 58.332 56.048 -0.023 0.000 1.311 273 H CB 0.155 29.888 29.762 -0.048 0.000 1.377 273 H HN 0.284 nan 8.280 nan 0.000 0.504 274 Q N 0.608 120.555 119.800 0.246 0.000 2.123 274 Q HA -0.132 2.299 4.340 -3.182 0.000 0.199 274 Q C 2.504 178.532 176.000 0.046 0.000 0.966 274 Q CA 1.906 57.804 55.803 0.160 0.000 0.845 274 Q CB -0.222 28.579 28.738 0.105 0.000 0.907 274 Q HN 0.412 nan 8.270 nan 0.000 0.439 275 Q N -0.089 119.730 119.800 0.032 0.000 2.030 275 Q HA -0.105 2.326 4.340 -3.182 0.000 0.204 275 Q C 1.926 177.911 176.000 -0.025 0.000 0.986 275 Q CA 1.959 57.762 55.803 -0.000 0.000 0.843 275 Q CB -0.444 28.299 28.738 0.008 0.000 0.904 275 Q HN 0.537 nan 8.270 nan 0.000 0.420 276 L N 0.014 121.229 121.223 -0.012 0.000 2.046 276 L HA -0.162 2.269 4.340 -3.182 0.000 0.208 276 L C 2.420 179.287 176.870 -0.005 0.000 1.077 276 L CA 1.359 56.209 54.840 0.017 0.000 0.747 276 L CB -0.452 41.629 42.059 0.038 0.000 0.896 276 L HN 0.180 nan 8.230 nan 0.000 0.432 277 K N -0.190 120.163 120.400 -0.078 0.000 2.152 277 K HA -0.149 2.262 4.320 -3.182 0.000 0.206 277 K C 1.883 178.468 176.600 -0.026 0.000 1.048 277 K CA 1.723 57.962 56.287 -0.079 0.000 0.933 277 K CB -0.228 32.212 32.500 -0.100 0.000 0.721 277 K HN 0.190 nan 8.250 nan 0.000 0.447 278 T N -0.869 113.666 114.554 -0.033 0.000 3.009 278 T HA 0.050 2.491 4.350 -3.182 0.000 0.258 278 T C 1.773 176.419 174.700 -0.089 0.000 1.063 278 T CA 0.915 62.990 62.100 -0.042 0.000 1.139 278 T CB 0.001 68.848 68.868 -0.034 0.000 0.890 278 T HN 0.111 nan 8.240 nan 0.000 0.471 279 S N 0.760 116.361 115.700 -0.166 0.000 2.383 279 S HA -0.024 2.537 4.470 -3.182 0.000 0.227 279 S C 0.873 175.187 174.600 -0.477 0.000 1.026 279 S CA 0.977 58.954 58.200 -0.371 0.000 0.981 279 S CB -0.223 62.633 63.200 -0.573 0.000 0.818 279 S HN 0.555 nan 8.310 nan 0.000 0.472 280 Y N 0.844 121.145 120.300 0.002 0.000 2.636 280 Y HA 0.373 3.015 4.550 -3.180 0.000 0.260 280 Y C 1.595 177.495 175.900 -0.000 0.000 1.177 280 Y CA -1.180 56.926 58.100 0.011 0.000 1.209 280 Y CB -0.312 38.162 38.460 0.024 0.000 1.166 280 Y HN 0.208 nan 8.280 nan 0.000 0.531 281 E N 0.839 121.081 120.200 0.070 0.000 2.114 281 E HA -0.230 2.210 4.350 -3.182 0.000 0.199 281 E C 0.589 177.210 176.600 0.036 0.000 1.008 281 E CA 1.887 58.310 56.400 0.038 0.000 0.810 281 E CB 0.115 29.818 29.700 0.005 0.000 0.739 281 E HN 0.409 nan 8.360 nan 0.000 0.456 282 D N 0.276 120.697 120.400 0.036 0.000 2.368 282 D HA 0.023 2.754 4.640 -3.182 0.000 0.218 282 D C -0.417 175.902 176.300 0.031 0.000 1.112 282 D CA 0.124 54.137 54.000 0.022 0.000 0.834 282 D CB 0.281 41.087 40.800 0.010 0.000 0.953 282 D HN 0.110 nan 8.370 nan 0.000 0.505 283 E N 1.232 121.479 120.200 0.078 0.000 2.223 283 E HA 0.005 2.446 4.350 -3.182 0.000 0.282 283 E C 1.072 177.670 176.600 -0.003 0.000 1.046 283 E CA -0.024 56.426 56.400 0.083 0.000 0.857 283 E CB 1.966 31.802 29.700 0.227 0.000 1.055 283 E HN 0.062 nan 8.360 nan 0.000 0.409 284 E N 2.632 122.734 120.200 -0.163 0.000 2.153 284 E HA -0.173 2.268 4.350 -3.182 0.000 0.194 284 E C 0.599 177.009 176.600 -0.317 0.000 0.988 284 E CA 1.553 57.736 56.400 -0.362 0.000 0.811 284 E CB 0.019 29.248 29.700 -0.785 0.000 0.746 284 E HN 0.454 nan 8.360 nan 0.000 0.466 285 F N -0.842 119.186 119.950 0.130 0.000 2.622 285 F HA 0.247 2.867 4.527 -3.177 0.000 0.288 285 F C 0.458 176.347 175.800 0.147 0.000 1.120 285 F CA -0.183 57.890 58.000 0.122 0.000 1.423 285 F CB 0.263 39.221 39.000 -0.070 0.000 1.127 285 F HN -0.235 nan 8.300 nan 0.000 0.588 286 V N 2.847 122.865 119.914 0.174 0.000 2.406 286 V HA 0.324 2.534 4.120 -3.182 0.000 0.272 286 V C -0.187 175.952 176.094 0.075 0.000 1.043 286 V CA -0.728 61.573 62.300 0.002 0.000 0.915 286 V CB 0.834 32.385 31.823 -0.453 0.000 0.988 286 V HN -0.064 nan 8.190 nan 0.000 0.466 287 K N 3.897 124.356 120.400 0.098 0.000 2.324 287 K HA 0.671 3.082 4.320 -3.182 0.000 0.253 287 K C -1.035 175.556 176.600 -0.016 0.000 0.932 287 K CA -0.698 55.609 56.287 0.033 0.000 0.799 287 K CB 2.568 35.050 32.500 -0.030 0.000 1.154 287 K HN 0.383 nan 8.250 nan 0.000 0.425 288 V N 4.261 124.146 119.914 -0.048 0.000 2.417 288 V HA 0.413 2.623 4.120 -3.182 0.000 0.291 288 V C 0.342 176.359 176.094 -0.128 0.000 1.024 288 V CA -0.910 61.336 62.300 -0.090 0.000 0.861 288 V CB 1.367 33.116 31.823 -0.123 0.000 0.985 288 V HN 0.535 nan 8.190 nan 0.000 0.436 289 L N 2.785 123.931 121.223 -0.129 0.000 2.431 289 L HA 0.511 2.942 4.340 -3.182 0.000 0.260 289 L C 0.419 177.242 176.870 -0.078 0.000 1.098 289 L CA -0.875 53.896 54.840 -0.115 0.000 0.800 289 L CB 0.724 42.724 42.059 -0.098 0.000 1.210 289 L HN 0.566 nan 8.230 nan 0.000 0.465 290 D N 0.330 120.708 120.400 -0.037 0.000 2.349 290 D HA 0.025 2.756 4.640 -3.182 0.000 0.239 290 D C -0.118 176.185 176.300 0.005 0.000 1.315 290 D CA -0.008 54.010 54.000 0.030 0.000 0.937 290 D CB 0.405 41.203 40.800 -0.004 0.000 1.133 290 D HN 0.420 nan 8.370 nan 0.000 0.489 291 E N -0.652 119.550 120.200 0.003 0.000 2.344 291 E HA 0.324 2.765 4.350 -3.182 0.000 0.270 291 E C 0.919 177.447 176.600 -0.119 0.000 1.021 291 E CA 0.137 56.481 56.400 -0.094 0.000 0.887 291 E CB 0.636 30.252 29.700 -0.140 0.000 0.997 291 E HN 0.660 nan 8.360 nan 0.000 0.429 292 G N 2.094 110.757 108.800 -0.228 0.000 2.184 292 G HA2 -0.292 1.759 3.960 -3.182 0.000 0.264 292 G HA3 -0.292 1.759 3.960 -3.182 0.000 0.264 292 G C 0.312 175.258 174.900 0.077 0.000 0.975 292 G CA 0.135 45.207 45.100 -0.047 0.000 0.642 292 G HN 0.427 nan 8.290 nan 0.000 0.536 293 V N 1.605 121.503 119.914 -0.027 0.000 2.408 293 V HA 0.441 2.652 4.120 -3.182 0.000 0.267 293 V C 0.903 177.122 176.094 0.207 0.000 1.047 293 V CA -0.526 61.813 62.300 0.065 0.000 0.937 293 V CB 1.615 33.436 31.823 -0.003 0.000 0.999 293 V HN 0.221 nan 8.190 nan 0.000 0.472 294 V N 9.189 129.269 119.914 0.276 0.000 2.408 294 V HA 0.259 2.470 4.120 -3.182 0.000 0.267 294 V C -1.433 174.764 176.094 0.171 0.000 1.047 294 V CA -1.144 61.341 62.300 0.309 0.000 0.937 294 V CB 1.153 33.063 31.823 0.145 0.000 0.999 294 V HN 0.797 nan 8.190 nan 0.000 0.472 295 P HA 0.440 nan 4.420 nan 0.000 0.276 295 P C -0.777 176.601 177.300 0.131 0.000 1.252 295 P CA -0.620 62.573 63.100 0.155 0.000 0.802 295 P CB 1.124 32.941 31.700 0.194 0.000 1.035 296 R N -0.420 120.163 120.500 0.139 0.000 2.750 296 R HA 0.308 2.739 4.340 -3.182 0.000 0.281 296 R C 1.288 177.714 176.300 0.210 0.000 0.972 296 R CA -0.442 55.782 56.100 0.207 0.000 0.912 296 R CB 1.521 31.905 30.300 0.139 0.000 1.187 296 R HN 0.518 nan 8.270 nan 0.000 0.464 297 T N -2.150 112.519 114.554 0.190 0.000 2.951 297 T HA -0.113 2.327 4.350 -3.182 0.000 0.268 297 T C 1.172 175.903 174.700 0.052 0.000 1.073 297 T CA 1.204 63.322 62.100 0.031 0.000 1.134 297 T CB -0.249 68.578 68.868 -0.068 0.000 0.884 297 T HN 0.626 nan 8.240 nan 0.000 0.479 298 H N 2.157 121.262 119.070 0.058 0.000 2.426 298 H HA 0.040 2.689 4.556 -3.178 0.000 0.298 298 H C 1.993 177.385 175.328 0.106 0.000 1.107 298 H CA 1.419 57.563 56.048 0.159 0.000 1.298 298 H CB -0.574 29.343 29.762 0.259 0.000 1.377 298 H HN 0.386 nan 8.280 nan 0.000 0.519 299 N N 0.434 119.193 118.700 0.098 0.000 2.461 299 N HA -0.035 2.795 4.740 -3.182 0.000 0.188 299 N C 1.267 176.760 175.510 -0.028 0.000 1.134 299 N CA 0.984 54.026 53.050 -0.013 0.000 0.878 299 N CB 0.592 39.075 38.487 -0.007 0.000 0.972 299 N HN 0.485 nan 8.380 nan 0.000 0.456 300 V N -2.798 117.080 119.914 -0.059 0.000 3.502 300 V HA 0.298 2.509 4.120 -3.182 0.000 0.288 300 V C 0.809 176.909 176.094 0.009 0.000 1.461 300 V CA -0.471 61.779 62.300 -0.083 0.000 1.029 300 V CB -0.120 31.568 31.823 -0.225 0.000 0.843 300 V HN -0.089 nan 8.190 nan 0.000 0.438 301 R N 1.788 122.307 120.500 0.031 0.000 2.485 301 R HA 0.298 2.728 4.340 -3.182 0.000 0.304 301 R C 1.364 177.682 176.300 0.029 0.000 0.934 301 R CA 1.560 57.674 56.100 0.023 0.000 1.102 301 R CB -0.334 30.003 30.300 0.061 0.000 0.906 301 R HN 1.067 nan 8.270 nan 0.000 0.407 302 G N 2.340 111.127 108.800 -0.021 0.000 2.176 302 G HA2 -0.312 1.739 3.960 -3.182 0.000 0.253 302 G HA3 -0.312 1.739 3.960 -3.182 0.000 0.253 302 G C -0.152 174.736 174.900 -0.019 0.000 0.979 302 G CA 0.333 45.412 45.100 -0.034 0.000 0.641 302 G HN 0.906 nan 8.290 nan 0.000 0.530 303 S N -1.538 114.170 115.700 0.013 0.000 2.745 303 S HA 0.683 3.244 4.470 -3.182 0.000 0.306 303 S C 0.177 174.728 174.600 -0.082 0.000 1.137 303 S CA 0.055 58.284 58.200 0.047 0.000 0.900 303 S CB 1.796 65.174 63.200 0.296 0.000 1.176 303 S HN 0.320 nan 8.310 nan 0.000 0.520 304 N N -0.838 117.723 118.700 -0.231 0.000 2.276 304 N HA 0.278 3.108 4.740 -3.182 0.000 0.212 304 N C -1.455 173.808 175.510 -0.410 0.000 1.127 304 N CA -0.278 52.511 53.050 -0.435 0.000 0.834 304 N CB -0.266 37.764 38.487 -0.761 0.000 1.014 304 N HN 0.554 nan 8.380 nan 0.000 0.491 305 Y N -0.131 120.181 120.300 0.019 0.000 2.310 305 Y HA 0.315 2.956 4.550 -3.182 0.000 0.326 305 Y C 0.610 176.481 175.900 -0.048 0.000 1.151 305 Y CA -1.215 56.943 58.100 0.098 0.000 1.195 305 Y CB 0.750 39.287 38.460 0.128 0.000 1.210 305 Y HN 0.104 nan 8.280 nan 0.000 0.483 306 C N 1.334 120.743 119.300 0.182 0.000 2.319 306 C HA 0.602 3.152 4.460 -3.182 0.000 0.323 306 C C -0.566 174.547 174.990 0.206 0.000 1.277 306 C CA -1.091 57.971 59.018 0.073 0.000 1.517 306 C CB -0.814 26.933 27.740 0.010 0.000 2.206 306 C HN 0.872 nan 8.230 nan 0.000 0.486 307 H N 3.300 122.401 119.070 0.052 0.000 2.457 307 H HA 0.692 3.340 4.556 -3.179 0.000 0.335 307 H C -0.002 175.338 175.328 0.021 0.000 1.115 307 H CA -0.648 55.418 56.048 0.030 0.000 1.219 307 H CB 1.645 31.424 29.762 0.029 0.000 1.471 307 H HN 0.829 nan 8.280 nan 0.000 0.491 308 M N 1.073 120.748 119.600 0.126 0.000 2.518 308 M HA 0.631 3.201 4.480 -3.182 0.000 0.300 308 M C -1.137 175.187 176.300 0.040 0.000 1.175 308 M CA -0.837 54.509 55.300 0.078 0.000 0.890 308 M CB 2.655 35.279 32.600 0.040 0.000 1.710 308 M HN 0.406 nan 8.290 nan 0.000 0.453 309 S N 1.196 116.939 115.700 0.073 0.000 2.556 309 S HA 0.843 3.404 4.470 -3.182 0.000 0.271 309 S C -1.683 172.920 174.600 0.005 0.000 1.135 309 S CA -0.555 57.635 58.200 -0.016 0.000 0.858 309 S CB 2.261 65.481 63.200 0.033 0.000 1.114 309 S HN 0.680 nan 8.310 nan 0.000 0.468 310 V N 3.957 123.724 119.914 -0.245 0.000 2.604 310 V HA 0.742 2.953 4.120 -3.182 0.000 0.305 310 V C -1.339 174.534 176.094 -0.369 0.000 1.043 310 V CA -0.500 61.742 62.300 -0.097 0.000 0.888 310 V CB 1.255 33.069 31.823 -0.016 0.000 0.995 310 V HN 0.793 nan 8.190 nan 0.000 0.429 311 F N 3.935 123.907 119.950 0.037 0.000 2.613 311 F HA 0.717 3.334 4.527 -3.183 0.000 0.314 311 F C -2.515 173.309 175.800 0.040 0.000 1.075 311 F CA -2.648 55.375 58.000 0.038 0.000 0.945 311 F CB 2.032 41.050 39.000 0.029 0.000 1.310 311 F HN 0.258 nan 8.300 nan 0.000 0.467 312 P HA 0.117 nan 4.420 nan 0.000 0.282 312 P C -1.067 176.325 177.300 0.153 0.000 1.249 312 P CA -0.156 63.032 63.100 0.146 0.000 0.806 312 P CB 1.529 33.289 31.700 0.100 0.000 0.984 313 D N 1.291 121.768 120.400 0.128 0.000 2.294 313 D HA 0.084 2.815 4.640 -3.182 0.000 0.250 313 D C 1.105 177.458 176.300 0.089 0.000 1.058 313 D CA -0.551 53.524 54.000 0.126 0.000 0.950 313 D CB 1.358 42.243 40.800 0.142 0.000 1.158 313 D HN 0.300 nan 8.370 nan 0.000 0.453 314 R N 2.193 122.736 120.500 0.072 0.000 2.189 314 R HA 0.022 2.452 4.340 -3.182 0.000 0.223 314 R C 0.523 176.848 176.300 0.041 0.000 1.092 314 R CA 0.541 56.670 56.100 0.049 0.000 0.989 314 R CB 0.036 30.357 30.300 0.035 0.000 0.876 314 R HN 0.477 nan 8.270 nan 0.000 0.457 315 I N 4.214 124.811 120.570 0.044 0.000 2.396 315 I HA 0.139 2.400 4.170 -3.182 0.000 0.289 315 I C -1.880 174.261 176.117 0.040 0.000 1.056 315 I CA -2.314 59.007 61.300 0.035 0.000 1.365 315 I CB 1.250 39.268 38.000 0.029 0.000 1.407 315 I HN 0.052 nan 8.210 nan 0.000 0.509 316 P HA -0.016 nan 4.420 nan 0.000 0.261 316 P C 0.729 178.050 177.300 0.034 0.000 1.183 316 P CA 0.614 63.733 63.100 0.031 0.000 0.761 316 P CB 0.706 32.420 31.700 0.023 0.000 0.785 317 G N 2.636 111.459 108.800 0.039 0.000 2.175 317 G HA2 -0.223 1.828 3.960 -3.182 0.000 0.244 317 G HA3 -0.223 1.828 3.960 -3.182 0.000 0.244 317 G C 0.242 175.173 174.900 0.052 0.000 0.982 317 G CA -0.339 44.785 45.100 0.041 0.000 0.641 317 G HN 0.609 nan 8.290 nan 0.000 0.527 318 R N 0.341 120.879 120.500 0.064 0.000 2.604 318 R HA 0.772 3.202 4.340 -3.182 0.000 0.287 318 R C 0.082 176.442 176.300 0.101 0.000 0.970 318 R CA 0.213 56.364 56.100 0.085 0.000 0.946 318 R CB 1.736 32.094 30.300 0.096 0.000 1.127 318 R HN 0.514 nan 8.270 nan 0.000 0.473 319 A N 2.920 125.806 122.820 0.110 0.000 2.386 319 A HA 0.736 3.147 4.320 -3.182 0.000 0.308 319 A C -0.867 176.785 177.584 0.113 0.000 1.128 319 A CA -0.747 51.359 52.037 0.115 0.000 0.789 319 A CB 1.207 20.264 19.000 0.095 0.000 1.325 319 A HN 0.640 nan 8.150 nan 0.000 0.437 320 I N 1.224 121.865 120.570 0.118 0.000 2.447 320 I HA 0.405 2.666 4.170 -3.182 0.000 0.287 320 I C -1.085 175.091 176.117 0.099 0.000 1.023 320 I CA -0.123 61.181 61.300 0.007 0.000 1.083 320 I CB 1.684 39.672 38.000 -0.020 0.000 1.245 320 I HN 0.468 nan 8.210 nan 0.000 0.434 321 I N 6.767 127.328 120.570 -0.014 0.000 2.530 321 I HA 0.506 2.766 4.170 -3.182 0.000 0.297 321 I C -0.616 175.516 176.117 0.025 0.000 1.011 321 I CA -0.647 60.697 61.300 0.074 0.000 1.107 321 I CB 2.428 40.458 38.000 0.050 0.000 1.285 321 I HN 0.369 nan 8.210 nan 0.000 0.436 322 I N 4.193 124.835 120.570 0.120 0.000 2.436 322 I HA 0.328 2.588 4.170 -3.182 0.000 0.289 322 I C -0.345 175.831 176.117 0.098 0.000 1.010 322 I CA -0.268 61.084 61.300 0.085 0.000 1.098 322 I CB 2.022 40.092 38.000 0.116 0.000 1.266 322 I HN 0.445 nan 8.210 nan 0.000 0.434 323 S N 6.551 122.295 115.700 0.073 0.000 2.647 323 S HA 0.736 3.297 4.470 -3.182 0.000 0.300 323 S C -0.898 173.738 174.600 0.060 0.000 1.129 323 S CA -0.553 57.688 58.200 0.068 0.000 1.029 323 S CB 1.177 64.408 63.200 0.052 0.000 1.007 323 S HN 0.456 nan 8.310 nan 0.000 0.484 324 V N 4.439 124.385 119.914 0.053 0.000 2.823 324 V HA 0.919 3.129 4.120 -3.182 0.000 0.312 324 V C -0.433 175.643 176.094 -0.029 0.000 1.072 324 V CA -0.862 61.449 62.300 0.018 0.000 0.937 324 V CB 1.154 32.990 31.823 0.022 0.000 1.013 324 V HN 0.985 nan 8.190 nan 0.000 0.430 325 I N -0.535 120.007 120.570 -0.046 0.000 3.352 325 I HA 0.664 2.925 4.170 -3.182 0.000 0.316 325 I C -1.393 174.677 176.117 -0.079 0.000 1.214 325 I CA -0.697 60.560 61.300 -0.071 0.000 0.934 325 I CB 2.346 40.303 38.000 -0.073 0.000 1.310 325 I HN 0.642 nan 8.210 nan 0.000 0.475 326 D N 2.647 122.994 120.400 -0.088 0.000 2.411 326 D HA 0.107 2.838 4.640 -3.182 0.000 0.225 326 D C 1.064 177.300 176.300 -0.106 0.000 1.156 326 D CA -0.276 53.669 54.000 -0.092 0.000 0.874 326 D CB 0.553 41.299 40.800 -0.091 0.000 1.034 326 D HN 0.708 nan 8.370 nan 0.000 0.502 327 N N 4.420 123.055 118.700 -0.107 0.000 2.187 327 N HA -0.254 2.576 4.740 -3.182 0.000 0.194 327 N C 1.415 176.868 175.510 -0.095 0.000 1.002 327 N CA 1.174 54.154 53.050 -0.116 0.000 0.882 327 N CB -0.264 38.145 38.487 -0.131 0.000 1.003 327 N HN 0.505 nan 8.380 nan 0.000 0.443 328 L N -0.240 120.923 121.223 -0.099 0.000 2.375 328 L HA 0.082 2.513 4.340 -3.182 0.000 0.215 328 L C 2.106 178.903 176.870 -0.123 0.000 1.108 328 L CA 0.085 54.868 54.840 -0.095 0.000 0.830 328 L CB 0.104 42.095 42.059 -0.113 0.000 0.959 328 L HN 0.001 nan 8.230 nan 0.000 0.457 329 V N -0.404 119.424 119.914 -0.143 0.000 2.523 329 V HA -0.068 2.143 4.120 -3.182 0.000 0.226 329 V C 2.123 178.103 176.094 -0.190 0.000 1.107 329 V CA 0.939 63.131 62.300 -0.179 0.000 1.121 329 V CB -0.301 31.407 31.823 -0.191 0.000 0.753 329 V HN 0.177 nan 8.190 nan 0.000 0.497 330 K N 1.576 121.856 120.400 -0.199 0.000 2.283 330 K HA -0.028 2.383 4.320 -3.182 0.000 0.202 330 K C 1.667 178.177 176.600 -0.150 0.000 1.048 330 K CA 1.469 57.630 56.287 -0.210 0.000 0.948 330 K CB -0.805 31.577 32.500 -0.198 0.000 0.742 330 K HN 0.471 nan 8.250 nan 0.000 0.458 331 G N -1.641 107.084 108.800 -0.125 0.000 2.920 331 G HA2 0.335 2.385 3.960 -3.182 0.000 0.208 331 G HA3 0.335 2.385 3.960 -3.182 0.000 0.208 331 G C 0.549 175.401 174.900 -0.079 0.000 1.159 331 G CA 0.511 45.551 45.100 -0.099 0.000 0.784 331 G HN 0.470 nan 8.290 nan 0.000 0.535 332 A N -0.659 122.106 122.820 -0.093 0.000 1.565 332 A HA 0.441 2.852 4.320 -3.182 0.000 0.157 332 A C 1.919 179.447 177.584 -0.094 0.000 1.542 332 A CA 0.946 52.942 52.037 -0.069 0.000 2.830 332 A CB -0.935 18.043 19.000 -0.037 0.000 3.033 332 A HN 0.080 nan 8.150 nan 0.000 1.309 333 S N 0.835 116.462 115.700 -0.121 0.000 2.402 333 S HA -0.076 2.484 4.470 -3.182 0.000 0.233 333 S C 1.844 176.326 174.600 -0.198 0.000 1.030 333 S CA 1.910 59.997 58.200 -0.188 0.000 1.003 333 S CB -0.585 62.482 63.200 -0.222 0.000 0.813 333 S HN 1.075 nan 8.310 nan 0.000 0.477 334 G N 0.931 109.617 108.800 -0.190 0.000 2.414 334 G HA2 -0.235 1.816 3.960 -3.182 0.000 0.215 334 G HA3 -0.235 1.816 3.960 -3.182 0.000 0.215 334 G C 1.266 176.051 174.900 -0.193 0.000 1.188 334 G CA 0.856 45.827 45.100 -0.214 0.000 0.783 334 G HN 0.547 nan 8.290 nan 0.000 0.537 335 Q N 0.244 119.935 119.800 -0.182 0.000 2.124 335 Q HA 0.059 2.490 4.340 -3.182 0.000 0.202 335 Q C 2.680 178.660 176.000 -0.033 0.000 0.977 335 Q CA 1.602 57.320 55.803 -0.141 0.000 0.850 335 Q CB -0.336 28.319 28.738 -0.139 0.000 0.901 335 Q HN 0.382 nan 8.270 nan 0.000 0.429 336 A N 0.671 123.496 122.820 0.009 0.000 1.908 336 A HA -0.179 2.232 4.320 -3.182 0.000 0.218 336 A C 1.976 179.777 177.584 0.363 0.000 1.181 336 A CA 1.465 53.607 52.037 0.174 0.000 0.627 336 A CB -0.742 18.384 19.000 0.210 0.000 0.818 336 A HN 0.517 nan 8.150 nan 0.000 0.445 337 L N -0.431 120.946 121.223 0.257 0.000 2.109 337 L HA -0.107 2.324 4.340 -3.182 0.000 0.207 337 L C 2.387 179.418 176.870 0.268 0.000 1.086 337 L CA 2.392 57.461 54.840 0.382 0.000 0.760 337 L CB -0.734 41.439 42.059 0.190 0.000 0.910 337 L HN 0.565 nan 8.230 nan 0.000 0.437 338 Q N -0.605 119.267 119.800 0.119 0.000 2.135 338 Q HA -0.232 2.199 4.340 -3.182 0.000 0.204 338 Q C 1.736 177.824 176.000 0.146 0.000 0.981 338 Q CA 1.898 57.764 55.803 0.105 0.000 0.856 338 Q CB 0.027 28.755 28.738 -0.017 0.000 0.902 338 Q HN 0.628 nan 8.270 nan 0.000 0.425 339 N N 0.390 119.164 118.700 0.123 0.000 2.109 339 N HA -0.142 2.688 4.740 -3.182 0.000 0.188 339 N C 1.695 177.274 175.510 0.115 0.000 1.034 339 N CA 0.694 53.803 53.050 0.097 0.000 0.846 339 N CB -0.534 37.982 38.487 0.049 0.000 1.010 339 N HN 0.177 nan 8.380 nan 0.000 0.425 340 L N 2.178 123.476 121.223 0.125 0.000 2.129 340 L HA -0.130 2.300 4.340 -3.182 0.000 0.212 340 L C 1.538 178.554 176.870 0.243 0.000 1.087 340 L CA 1.488 56.360 54.840 0.053 0.000 0.757 340 L CB -0.797 41.200 42.059 -0.102 0.000 0.896 340 L HN 0.098 nan 8.230 nan 0.000 0.434 341 N N 0.419 119.349 118.700 0.382 0.000 2.007 341 N HA -0.234 2.597 4.740 -3.182 0.000 0.197 341 N C 1.951 177.694 175.510 0.389 0.000 1.050 341 N CA 2.392 55.727 53.050 0.474 0.000 0.856 341 N CB -0.587 38.105 38.487 0.341 0.000 1.050 341 N HN 0.673 nan 8.380 nan 0.000 0.423 342 I N -1.349 119.368 120.570 0.245 0.000 2.226 342 I HA -0.156 2.105 4.170 -3.182 0.000 0.245 342 I C 1.758 177.957 176.117 0.137 0.000 1.100 342 I CA 1.357 62.760 61.300 0.172 0.000 1.374 342 I CB -0.587 37.484 38.000 0.118 0.000 1.057 342 I HN -0.035 nan 8.210 nan 0.000 0.413 343 M N 0.642 120.307 119.600 0.109 0.000 2.800 343 M HA 0.046 2.617 4.480 -3.182 0.000 0.235 343 M C 1.046 177.381 176.300 0.059 0.000 1.057 343 M CA 1.174 56.502 55.300 0.046 0.000 1.066 343 M CB -0.050 32.541 32.600 -0.014 0.000 1.558 343 M HN 0.386 nan 8.290 nan 0.000 0.551 344 L N -1.759 119.564 121.223 0.167 0.000 3.515 344 L HA 0.299 2.729 4.340 -3.182 0.000 0.322 344 L C 0.866 177.873 176.870 0.228 0.000 1.225 344 L CA -0.113 54.869 54.840 0.238 0.000 1.104 344 L CB 1.019 43.297 42.059 0.365 0.000 1.506 344 L HN 0.392 nan 8.230 nan 0.000 0.624 345 G N 0.149 109.036 108.800 0.145 0.000 2.171 345 G HA2 -0.295 1.755 3.960 -3.182 0.000 0.238 345 G HA3 -0.295 1.755 3.960 -3.182 0.000 0.238 345 G C -0.470 174.306 174.900 -0.207 0.000 1.039 345 G CA -0.048 45.023 45.100 -0.048 0.000 0.759 345 G HN 0.224 nan 8.290 nan 0.000 0.501 346 Y N -0.955 119.412 120.300 0.110 0.000 2.621 346 Y HA 0.620 3.262 4.550 -3.180 0.000 0.334 346 Y C -1.980 173.966 175.900 0.076 0.000 1.074 346 Y CA -2.663 55.489 58.100 0.087 0.000 1.149 346 Y CB 1.160 39.700 38.460 0.133 0.000 1.302 346 Y HN -0.020 nan 8.280 nan 0.000 0.501 347 P HA 0.019 nan 4.420 nan 0.000 0.267 347 P C 0.399 177.792 177.300 0.155 0.000 1.205 347 P CA 0.175 63.355 63.100 0.134 0.000 0.765 347 P CB 0.603 32.359 31.700 0.093 0.000 0.828 348 E N 1.857 122.143 120.200 0.143 0.000 2.396 348 E HA -0.184 2.257 4.350 -3.182 0.000 0.200 348 E C 0.764 177.495 176.600 0.218 0.000 1.023 348 E CA 1.399 57.907 56.400 0.179 0.000 0.857 348 E CB 0.063 29.862 29.700 0.166 0.000 0.775 348 E HN 0.535 nan 8.360 nan 0.000 0.525 349 T N -3.273 111.373 114.554 0.152 0.000 3.044 349 T HA 0.101 2.542 4.350 -3.182 0.000 0.260 349 T C 0.534 175.277 174.700 0.073 0.000 1.019 349 T CA -0.317 61.887 62.100 0.174 0.000 0.921 349 T CB 0.304 69.198 68.868 0.042 0.000 1.053 349 T HN -0.161 nan 8.240 nan 0.000 0.533 350 T N 2.595 117.145 114.554 -0.006 0.000 2.831 350 T HA 0.413 2.853 4.350 -3.182 0.000 0.291 350 T C 1.568 176.070 174.700 -0.329 0.000 0.981 350 T CA 0.903 62.867 62.100 -0.228 0.000 1.174 350 T CB 0.013 68.662 68.868 -0.364 0.000 0.929 350 T HN 0.801 nan 8.240 nan 0.000 0.532 351 G N 2.973 111.565 108.800 -0.346 0.000 2.184 351 G HA2 -0.251 1.800 3.960 -3.182 0.000 0.264 351 G HA3 -0.251 1.800 3.960 -3.182 0.000 0.264 351 G C 0.519 175.434 174.900 0.026 0.000 0.975 351 G CA 0.095 45.079 45.100 -0.194 0.000 0.642 351 G HN 0.690 nan 8.290 nan 0.000 0.536 352 L N 0.296 121.553 121.223 0.058 0.000 2.965 352 L HA 0.438 2.868 4.340 -3.182 0.000 0.254 352 L C 1.770 178.758 176.870 0.197 0.000 1.220 352 L CA -0.224 54.721 54.840 0.174 0.000 1.023 352 L CB 0.279 42.415 42.059 0.129 0.000 1.355 352 L HN 0.188 nan 8.230 nan 0.000 0.545 353 L N -0.960 120.282 121.223 0.032 0.000 2.592 353 L HA 0.118 2.548 4.340 -3.182 0.000 0.227 353 L C 0.696 177.620 176.870 0.090 0.000 1.127 353 L CA -0.249 54.632 54.840 0.069 0.000 0.884 353 L CB -0.398 41.661 42.059 0.000 0.000 1.065 353 L HN 0.338 nan 8.230 nan 0.000 0.457 354 H N 1.943 121.061 119.070 0.081 0.000 3.167 354 H HA 0.003 2.653 4.556 -3.176 0.000 0.306 354 H C 0.106 175.539 175.328 0.176 0.000 0.965 354 H CA 0.258 56.356 56.048 0.085 0.000 1.408 354 H CB 0.501 30.284 29.762 0.033 0.000 1.406 354 H HN 0.162 nan 8.280 nan 0.000 0.576 355 Q N 3.664 123.623 119.800 0.266 0.000 2.230 355 Q HA 0.257 2.688 4.340 -3.182 0.000 0.248 355 Q C -2.022 174.106 176.000 0.213 0.000 0.915 355 Q CA -2.135 53.822 55.803 0.258 0.000 0.900 355 Q CB 0.522 29.355 28.738 0.158 0.000 1.229 355 Q HN 0.475 nan 8.270 nan 0.000 0.439 356 P HA -0.112 nan 4.420 nan 0.000 0.264 356 P C -0.497 176.898 177.300 0.159 0.000 1.173 356 P CA -0.004 63.199 63.100 0.172 0.000 0.761 356 P CB 0.308 32.103 31.700 0.158 0.000 0.794 357 L N 5.293 126.595 121.223 0.131 0.000 2.449 357 L HA 0.425 2.855 4.340 -3.182 0.000 0.255 357 L C -1.122 175.817 176.870 0.115 0.000 1.167 357 L CA -0.130 54.766 54.840 0.094 0.000 1.090 357 L CB -1.250 40.831 42.059 0.036 0.000 1.385 357 L HN 0.147 nan 8.230 nan 0.000 0.411 358 F N 5.080 125.053 119.950 0.038 0.000 2.507 358 F HA 0.733 3.350 4.527 -3.184 0.000 0.325 358 F C -1.623 174.197 175.800 0.032 0.000 1.116 358 F CA -1.608 56.417 58.000 0.043 0.000 0.930 358 F CB 0.762 39.794 39.000 0.054 0.000 1.146 358 F HN 0.404 nan 8.300 nan 0.000 0.447 359 P HA 0.000 nan 4.420 nan 0.000 0.216 359 P CA 0.000 62.429 63.100 -1.119 0.000 0.800 359 P CB 0.000 31.233 31.700 -0.777 0.000 0.726